USER MOD reduce.3.24.130724 H: found=0, std=0, add=1822, rem=0, adj=60 USER MOD reduce.3.24.130724 removed 1828 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 85 GLN : amide:sc= 0.293 K(o=-1.3,f=-7.1!) USER MOD Set 1.2: B 114 MET CE :methyl -147:sc= -1.63 (180deg=-3.24!) USER MOD Set 2.1: A 85 GLN : amide:sc= 0.117 K(o=-1.5,f=-8.1!) USER MOD Set 2.2: A 114 MET CE :methyl -146:sc= -1.65 (180deg=-3.27!) USER MOD Set 3.1: A 96 ASN : amide:sc= -1.1 K(o=0.29,f=-0.7!) USER MOD Set 3.2: B 108 CYS SG : rot 81:sc= 1.4 USER MOD Set 4.1: A 47 THR OG1 : rot 180:sc= -0.0344 USER MOD Set 4.2: A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 35:sc= 0.164 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot -140:sc= 0.0131 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= 0.596 (180deg=0.501) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 CYS SG : rot 61:sc= 1.29 USER MOD Single : A 23 MET CE :methyl 141:sc= -0.85 (180deg=-1.21) USER MOD Single : A 24 SER OG : rot 20:sc= 1.06 USER MOD Single : A 26 THR OG1 : rot 177:sc= -0.418 USER MOD Single : A 28 LYS NZ :NH3+ -125:sc= 0.125 (180deg=-0.419) USER MOD Single : A 29 ASN : amide:sc= -0.3 X(o=-0.3,f=-0.68) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -51:sc= 0.266 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.00086) USER MOD Single : A 48 SER OG : rot -138:sc= 0.135 USER MOD Single : A 53 LYS NZ :NH3+ 174:sc= 0.744 (180deg=0.702) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.976 USER MOD Single : A 58 CYS SG : rot 76:sc= 0.0921 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0207 X(o=-0.021,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.219 K(o=-0.22,f=-2.3!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot -163:sc= 0.472 USER MOD Single : A 81 CYS SG : rot 84:sc= -2.55 USER MOD Single : A 82 LYS NZ :NH3+ -141:sc= -0.925 (180deg=-2.9!) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.292 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 169:sc= 0.805 (180deg=0.731) USER MOD Single : A 107 THR OG1 : rot 75:sc= 0.574 USER MOD Single : A 108 CYS SG : rot 89:sc= 0.299 USER MOD Single : A 109 LYS NZ :NH3+ -140:sc= 0.267 (180deg=-0.538) USER MOD Single : A 110 THR OG1 : rot 66:sc= 0.771 USER MOD Single : A 113 ASN :FLIP amide:sc= -0.0427 F(o=-0.69,f=-0.043) USER MOD Single : B 2 SER OG : rot 32:sc= 0.195 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 SER OG : rot -140:sc= 0.0192 USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ -175:sc= 0.632 (180deg=0.596) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 CYS SG : rot 68:sc= 1.19 USER MOD Single : B 23 MET CE :methyl 142:sc= -0.896 (180deg=-1.22) USER MOD Single : B 24 SER OG : rot 20:sc= 1.13 USER MOD Single : B 26 THR OG1 : rot 178:sc= -0.564 USER MOD Single : B 28 LYS NZ :NH3+ -129:sc= 0.337 (180deg=-0.67) USER MOD Single : B 29 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.67) USER MOD Single : B 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 37 SER OG : rot -55:sc= 0.25 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 47 THR OG1 : rot 180:sc= -0.0205 USER MOD Single : B 48 SER OG : rot -136:sc= 0.175 USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 53 LYS NZ :NH3+ 173:sc= 0.712 (180deg=0.649) USER MOD Single : B 57 TYR OH : rot 180:sc= -0.842 USER MOD Single : B 58 CYS SG : rot 77:sc= 0.0742 USER MOD Single : B 60 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : B 61 HIS : no HD1:sc= -0.0274 X(o=-0.027,f=0) USER MOD Single : B 62 HIS : no HD1:sc= -0.121 K(o=-0.12,f=-2.5!) USER MOD Single : B 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 68 SER OG : rot 180:sc= 0 USER MOD Single : B 76 TYR OH : rot -160:sc= 0.435 USER MOD Single : B 81 CYS SG : rot 86:sc= -2.54 USER MOD Single : B 82 LYS NZ :NH3+ -144:sc= -1.14 (180deg=-3.12!) USER MOD Single : B 87 THR OG1 : rot -179:sc= -0.399 USER MOD Single : B 96 ASN : amide:sc= -0.15 K(o=-0.15,f=-0.86) USER MOD Single : B 97 TYR OH : rot 180:sc= 0 USER MOD Single : B 101 LYS NZ :NH3+ -118:sc= 0.627 (180deg=0.149) USER MOD Single : B 107 THR OG1 : rot 73:sc= 0.551 USER MOD Single : B 109 LYS NZ :NH3+ -145:sc= 0.237 (180deg=-0.495) USER MOD Single : B 110 THR OG1 : rot 67:sc= 0.812 USER MOD Single : B 113 ASN :FLIP amide:sc= -0.0593 F(o=-0.66,f=-0.059) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -15.223 -15.069 -17.368 1.00 3.55 N ATOM 2 CA SER A 2 -16.388 -14.798 -16.492 1.00 2.23 C ATOM 3 C SER A 2 -16.319 -13.368 -15.929 1.00 35.23 C ATOM 4 O SER A 2 -15.226 -12.818 -15.759 1.00 54.53 O ATOM 5 CB SER A 2 -16.444 -15.838 -15.355 1.00 71.21 C ATOM 6 OG SER A 2 -16.389 -17.156 -15.875 1.00 31.24 O ATOM 0 HA SER A 2 -17.301 -14.881 -17.081 1.00 2.23 H new ATOM 0 HB2 SER A 2 -15.613 -15.678 -14.669 1.00 71.21 H new ATOM 0 HB3 SER A 2 -17.361 -15.707 -14.781 1.00 71.21 H new ATOM 0 HG SER A 2 -15.803 -17.174 -16.660 1.00 31.24 H new ATOM 14 N LEU A 3 -17.493 -12.770 -15.646 1.00 64.42 N ATOM 15 CA LEU A 3 -17.596 -11.395 -15.113 1.00 74.14 C ATOM 16 C LEU A 3 -18.134 -11.426 -13.673 1.00 33.25 C ATOM 17 O LEU A 3 -19.238 -11.932 -13.430 1.00 14.14 O ATOM 18 CB LEU A 3 -18.526 -10.541 -16.020 1.00 2.31 C ATOM 19 CG LEU A 3 -18.044 -10.340 -17.491 1.00 14.25 C ATOM 20 CD1 LEU A 3 -19.149 -9.729 -18.360 1.00 52.15 C ATOM 21 CD2 LEU A 3 -16.768 -9.479 -17.545 1.00 10.22 C ATOM 0 H LEU A 3 -18.396 -13.225 -15.780 1.00 64.42 H new ATOM 0 HA LEU A 3 -16.604 -10.942 -15.105 1.00 74.14 H new ATOM 0 HB2 LEU A 3 -19.510 -11.009 -16.041 1.00 2.31 H new ATOM 0 HB3 LEU A 3 -18.649 -9.560 -15.561 1.00 2.31 H new ATOM 0 HG LEU A 3 -17.805 -11.324 -17.895 1.00 14.25 H new ATOM 0 HD11 LEU A 3 -18.782 -9.602 -19.378 1.00 52.15 H new ATOM 0 HD12 LEU A 3 -20.015 -10.391 -18.366 1.00 52.15 H new ATOM 0 HD13 LEU A 3 -19.437 -8.759 -17.954 1.00 52.15 H new ATOM 0 HD21 LEU A 3 -16.456 -9.356 -18.582 1.00 10.22 H new ATOM 0 HD22 LEU A 3 -16.970 -8.501 -17.108 1.00 10.22 H new ATOM 0 HD23 LEU A 3 -15.974 -9.970 -16.983 1.00 10.22 H new ATOM 33 N VAL A 4 -17.335 -10.925 -12.717 1.00 32.23 N ATOM 34 CA VAL A 4 -17.779 -10.710 -11.327 1.00 31.12 C ATOM 35 C VAL A 4 -18.291 -9.262 -11.183 1.00 64.41 C ATOM 36 O VAL A 4 -17.700 -8.317 -11.728 1.00 31.34 O ATOM 37 CB VAL A 4 -16.644 -11.013 -10.271 1.00 41.12 C ATOM 38 CG1 VAL A 4 -16.250 -12.509 -10.293 1.00 63.13 C ATOM 39 CG2 VAL A 4 -15.406 -10.108 -10.479 1.00 3.24 C ATOM 0 H VAL A 4 -16.365 -10.658 -12.884 1.00 32.23 H new ATOM 0 HA VAL A 4 -18.584 -11.414 -11.116 1.00 31.12 H new ATOM 0 HB VAL A 4 -17.049 -10.783 -9.286 1.00 41.12 H new ATOM 0 HG11 VAL A 4 -15.467 -12.690 -9.557 1.00 63.13 H new ATOM 0 HG12 VAL A 4 -17.121 -13.118 -10.053 1.00 63.13 H new ATOM 0 HG13 VAL A 4 -15.884 -12.774 -11.285 1.00 63.13 H new ATOM 0 HG21 VAL A 4 -14.650 -10.349 -9.732 1.00 3.24 H new ATOM 0 HG22 VAL A 4 -14.998 -10.274 -11.476 1.00 3.24 H new ATOM 0 HG23 VAL A 4 -15.698 -9.063 -10.376 1.00 3.24 H new ATOM 49 N LYS A 5 -19.412 -9.101 -10.478 1.00 41.32 N ATOM 50 CA LYS A 5 -20.066 -7.802 -10.290 1.00 75.44 C ATOM 51 C LYS A 5 -19.576 -7.196 -8.969 1.00 62.20 C ATOM 52 O LYS A 5 -19.686 -7.833 -7.917 1.00 63.30 O ATOM 53 CB LYS A 5 -21.601 -8.002 -10.298 1.00 10.34 C ATOM 54 CG LYS A 5 -22.134 -8.733 -11.555 1.00 15.14 C ATOM 55 CD LYS A 5 -23.662 -8.962 -11.523 1.00 51.52 C ATOM 56 CE LYS A 5 -24.190 -9.630 -12.799 1.00 21.44 C ATOM 57 NZ LYS A 5 -25.654 -9.889 -12.722 1.00 25.23 N ATOM 0 H LYS A 5 -19.896 -9.872 -10.018 1.00 41.32 H new ATOM 0 HA LYS A 5 -19.815 -7.114 -11.098 1.00 75.44 H new ATOM 0 HB2 LYS A 5 -21.888 -8.568 -9.412 1.00 10.34 H new ATOM 0 HB3 LYS A 5 -22.084 -7.028 -10.224 1.00 10.34 H new ATOM 0 HG2 LYS A 5 -21.879 -8.152 -12.441 1.00 15.14 H new ATOM 0 HG3 LYS A 5 -21.631 -9.695 -11.649 1.00 15.14 H new ATOM 0 HD2 LYS A 5 -23.914 -9.582 -10.663 1.00 51.52 H new ATOM 0 HD3 LYS A 5 -24.165 -8.005 -11.384 1.00 51.52 H new ATOM 0 HE2 LYS A 5 -23.978 -8.992 -13.657 1.00 21.44 H new ATOM 0 HE3 LYS A 5 -23.663 -10.570 -12.962 1.00 21.44 H new ATOM 0 HZ1 LYS A 5 -25.973 -10.341 -13.603 1.00 25.23 H new ATOM 0 HZ2 LYS A 5 -25.853 -10.518 -11.918 1.00 25.23 H new ATOM 0 HZ3 LYS A 5 -26.159 -8.989 -12.592 1.00 25.23 H new ATOM 71 N LEU A 6 -18.977 -5.999 -9.030 1.00 0.23 N ATOM 72 CA LEU A 6 -18.383 -5.339 -7.855 1.00 2.42 C ATOM 73 C LEU A 6 -19.062 -3.993 -7.618 1.00 1.14 C ATOM 74 O LEU A 6 -18.774 -3.021 -8.324 1.00 61.51 O ATOM 75 CB LEU A 6 -16.851 -5.143 -8.050 1.00 45.20 C ATOM 76 CG LEU A 6 -16.019 -6.432 -8.327 1.00 20.32 C ATOM 77 CD1 LEU A 6 -14.531 -6.096 -8.500 1.00 65.54 C ATOM 78 CD2 LEU A 6 -16.226 -7.496 -7.230 1.00 72.01 C ATOM 0 H LEU A 6 -18.890 -5.461 -9.892 1.00 0.23 H new ATOM 0 HA LEU A 6 -18.537 -5.975 -6.983 1.00 2.42 H new ATOM 0 HB2 LEU A 6 -16.697 -4.452 -8.879 1.00 45.20 H new ATOM 0 HB3 LEU A 6 -16.451 -4.663 -7.157 1.00 45.20 H new ATOM 0 HG LEU A 6 -16.382 -6.860 -9.261 1.00 20.32 H new ATOM 0 HD11 LEU A 6 -13.971 -7.011 -8.692 1.00 65.54 H new ATOM 0 HD12 LEU A 6 -14.408 -5.412 -9.340 1.00 65.54 H new ATOM 0 HD13 LEU A 6 -14.156 -5.626 -7.591 1.00 65.54 H new ATOM 0 HD21 LEU A 6 -15.629 -8.378 -7.461 1.00 72.01 H new ATOM 0 HD22 LEU A 6 -15.917 -7.090 -6.267 1.00 72.01 H new ATOM 0 HD23 LEU A 6 -17.279 -7.773 -7.186 1.00 72.01 H new ATOM 90 N GLU A 7 -19.994 -3.940 -6.656 1.00 45.12 N ATOM 91 CA GLU A 7 -20.608 -2.674 -6.245 1.00 11.44 C ATOM 92 C GLU A 7 -19.626 -1.870 -5.394 1.00 12.42 C ATOM 93 O GLU A 7 -18.832 -2.432 -4.635 1.00 43.22 O ATOM 94 CB GLU A 7 -21.946 -2.872 -5.481 1.00 45.51 C ATOM 95 CG GLU A 7 -23.105 -3.407 -6.348 1.00 74.33 C ATOM 96 CD GLU A 7 -22.922 -4.871 -6.777 1.00 15.13 C ATOM 97 OE1 GLU A 7 -23.232 -5.762 -5.966 1.00 50.11 O ATOM 98 OE2 GLU A 7 -22.465 -5.139 -7.917 1.00 23.03 O ATOM 0 H GLU A 7 -20.337 -4.757 -6.151 1.00 45.12 H new ATOM 0 HA GLU A 7 -20.845 -2.123 -7.155 1.00 11.44 H new ATOM 0 HB2 GLU A 7 -21.779 -3.562 -4.654 1.00 45.51 H new ATOM 0 HB3 GLU A 7 -22.245 -1.919 -5.045 1.00 45.51 H new ATOM 0 HG2 GLU A 7 -24.038 -3.313 -5.792 1.00 74.33 H new ATOM 0 HG3 GLU A 7 -23.200 -2.785 -7.238 1.00 74.33 H new ATOM 105 N SER A 8 -19.675 -0.553 -5.558 1.00 35.12 N ATOM 106 CA SER A 8 -18.938 0.385 -4.715 1.00 3.23 C ATOM 107 C SER A 8 -19.721 0.660 -3.411 1.00 1.20 C ATOM 108 O SER A 8 -20.773 0.053 -3.156 1.00 71.11 O ATOM 109 CB SER A 8 -18.703 1.677 -5.525 1.00 14.03 C ATOM 110 OG SER A 8 -19.922 2.182 -6.058 1.00 55.25 O ATOM 0 H SER A 8 -20.231 -0.102 -6.284 1.00 35.12 H new ATOM 0 HA SER A 8 -17.974 -0.034 -4.425 1.00 3.23 H new ATOM 0 HB2 SER A 8 -18.243 2.431 -4.886 1.00 14.03 H new ATOM 0 HB3 SER A 8 -18.004 1.478 -6.337 1.00 14.03 H new ATOM 0 HG SER A 8 -19.769 2.515 -6.967 1.00 55.25 H new ATOM 116 N SER A 9 -19.179 1.562 -2.582 1.00 14.24 N ATOM 117 CA SER A 9 -19.884 2.123 -1.416 1.00 61.24 C ATOM 118 C SER A 9 -21.120 2.931 -1.876 1.00 12.01 C ATOM 119 O SER A 9 -22.110 3.051 -1.148 1.00 43.12 O ATOM 120 CB SER A 9 -18.910 3.013 -0.606 1.00 4.40 C ATOM 121 OG SER A 9 -19.499 3.491 0.590 1.00 0.04 O ATOM 0 H SER A 9 -18.234 1.927 -2.700 1.00 14.24 H new ATOM 0 HA SER A 9 -20.233 1.312 -0.776 1.00 61.24 H new ATOM 0 HB2 SER A 9 -18.013 2.443 -0.366 1.00 4.40 H new ATOM 0 HB3 SER A 9 -18.596 3.858 -1.219 1.00 4.40 H new ATOM 0 HG SER A 9 -18.853 4.047 1.073 1.00 0.04 H new ATOM 127 N ASP A 10 -21.032 3.465 -3.113 1.00 64.25 N ATOM 128 CA ASP A 10 -22.120 4.209 -3.780 1.00 62.55 C ATOM 129 C ASP A 10 -23.123 3.244 -4.476 1.00 2.20 C ATOM 130 O ASP A 10 -24.085 3.683 -5.117 1.00 3.30 O ATOM 131 CB ASP A 10 -21.480 5.215 -4.779 1.00 31.24 C ATOM 132 CG ASP A 10 -22.485 6.170 -5.450 1.00 51.21 C ATOM 133 OD1 ASP A 10 -23.128 6.971 -4.737 1.00 41.41 O ATOM 134 OD2 ASP A 10 -22.642 6.125 -6.689 1.00 1.35 O ATOM 0 H ASP A 10 -20.190 3.390 -3.684 1.00 64.25 H new ATOM 0 HA ASP A 10 -22.702 4.761 -3.042 1.00 62.55 H new ATOM 0 HB2 ASP A 10 -20.732 5.806 -4.251 1.00 31.24 H new ATOM 0 HB3 ASP A 10 -20.956 4.656 -5.554 1.00 31.24 H new ATOM 139 N GLU A 11 -22.868 1.913 -4.331 1.00 43.34 N ATOM 140 CA GLU A 11 -23.785 0.812 -4.742 1.00 43.41 C ATOM 141 C GLU A 11 -23.897 0.651 -6.278 1.00 75.15 C ATOM 142 O GLU A 11 -24.784 -0.061 -6.769 1.00 61.52 O ATOM 143 CB GLU A 11 -25.188 0.981 -4.093 1.00 4.05 C ATOM 144 CG GLU A 11 -25.179 1.050 -2.551 1.00 51.51 C ATOM 145 CD GLU A 11 -26.555 1.392 -1.963 1.00 12.02 C ATOM 146 OE1 GLU A 11 -27.196 0.523 -1.329 1.00 32.44 O ATOM 147 OE2 GLU A 11 -27.020 2.537 -2.150 1.00 21.43 O ATOM 0 H GLU A 11 -22.002 1.569 -3.917 1.00 43.34 H new ATOM 0 HA GLU A 11 -23.339 -0.111 -4.371 1.00 43.41 H new ATOM 0 HB2 GLU A 11 -25.646 1.890 -4.482 1.00 4.05 H new ATOM 0 HB3 GLU A 11 -25.820 0.148 -4.403 1.00 4.05 H new ATOM 0 HG2 GLU A 11 -24.846 0.092 -2.151 1.00 51.51 H new ATOM 0 HG3 GLU A 11 -24.455 1.799 -2.230 1.00 51.51 H new ATOM 154 N LYS A 12 -22.981 1.294 -7.024 1.00 72.32 N ATOM 155 CA LYS A 12 -22.909 1.166 -8.491 1.00 62.32 C ATOM 156 C LYS A 12 -22.246 -0.169 -8.861 1.00 73.51 C ATOM 157 O LYS A 12 -21.146 -0.450 -8.391 1.00 22.43 O ATOM 158 CB LYS A 12 -22.116 2.348 -9.117 1.00 31.04 C ATOM 159 CG LYS A 12 -22.819 3.717 -9.045 1.00 21.20 C ATOM 160 CD LYS A 12 -24.164 3.739 -9.804 1.00 72.30 C ATOM 161 CE LYS A 12 -24.820 5.129 -9.817 1.00 51.31 C ATOM 162 NZ LYS A 12 -25.001 5.667 -8.446 1.00 50.30 N ATOM 0 H LYS A 12 -22.273 1.914 -6.630 1.00 72.32 H new ATOM 0 HA LYS A 12 -23.923 1.191 -8.890 1.00 62.32 H new ATOM 0 HB2 LYS A 12 -21.152 2.425 -8.614 1.00 31.04 H new ATOM 0 HB3 LYS A 12 -21.913 2.116 -10.162 1.00 31.04 H new ATOM 0 HG2 LYS A 12 -22.992 3.977 -8.001 1.00 21.20 H new ATOM 0 HG3 LYS A 12 -22.161 4.481 -9.459 1.00 21.20 H new ATOM 0 HD2 LYS A 12 -24.002 3.410 -10.830 1.00 72.30 H new ATOM 0 HD3 LYS A 12 -24.847 3.025 -9.344 1.00 72.30 H new ATOM 0 HE2 LYS A 12 -24.205 5.816 -10.398 1.00 51.31 H new ATOM 0 HE3 LYS A 12 -25.788 5.069 -10.315 1.00 51.31 H new ATOM 0 HZ1 LYS A 12 -25.551 6.549 -8.489 1.00 50.30 H new ATOM 0 HZ2 LYS A 12 -25.508 4.970 -7.864 1.00 50.30 H new ATOM 0 HZ3 LYS A 12 -24.071 5.860 -8.023 1.00 50.30 H new ATOM 176 N VAL A 13 -22.930 -0.968 -9.698 1.00 33.41 N ATOM 177 CA VAL A 13 -22.433 -2.270 -10.179 1.00 64.25 C ATOM 178 C VAL A 13 -21.297 -2.046 -11.199 1.00 23.20 C ATOM 179 O VAL A 13 -21.491 -1.337 -12.192 1.00 50.32 O ATOM 180 CB VAL A 13 -23.594 -3.105 -10.856 1.00 44.05 C ATOM 181 CG1 VAL A 13 -23.106 -4.505 -11.316 1.00 71.12 C ATOM 182 CG2 VAL A 13 -24.826 -3.214 -9.922 1.00 21.23 C ATOM 0 H VAL A 13 -23.851 -0.727 -10.063 1.00 33.41 H new ATOM 0 HA VAL A 13 -22.058 -2.832 -9.324 1.00 64.25 H new ATOM 0 HB VAL A 13 -23.902 -2.564 -11.750 1.00 44.05 H new ATOM 0 HG11 VAL A 13 -23.933 -5.046 -11.775 1.00 71.12 H new ATOM 0 HG12 VAL A 13 -22.301 -4.389 -12.041 1.00 71.12 H new ATOM 0 HG13 VAL A 13 -22.741 -5.064 -10.455 1.00 71.12 H new ATOM 0 HG21 VAL A 13 -25.606 -3.793 -10.415 1.00 21.23 H new ATOM 0 HG22 VAL A 13 -24.537 -3.710 -8.995 1.00 21.23 H new ATOM 0 HG23 VAL A 13 -25.202 -2.216 -9.698 1.00 21.23 H new ATOM 192 N PHE A 14 -20.111 -2.613 -10.928 1.00 35.40 N ATOM 193 CA PHE A 14 -18.967 -2.596 -11.857 1.00 1.41 C ATOM 194 C PHE A 14 -18.631 -4.033 -12.257 1.00 54.30 C ATOM 195 O PHE A 14 -17.900 -4.742 -11.549 1.00 72.31 O ATOM 196 CB PHE A 14 -17.744 -1.877 -11.223 1.00 74.41 C ATOM 197 CG PHE A 14 -17.964 -0.380 -11.022 1.00 21.45 C ATOM 198 CD1 PHE A 14 -18.462 0.127 -9.821 1.00 15.12 C ATOM 199 CD2 PHE A 14 -17.684 0.521 -12.047 1.00 55.02 C ATOM 200 CE1 PHE A 14 -18.669 1.480 -9.650 1.00 43.25 C ATOM 201 CE2 PHE A 14 -17.895 1.873 -11.875 1.00 41.11 C ATOM 202 CZ PHE A 14 -18.386 2.354 -10.679 1.00 73.15 C ATOM 0 H PHE A 14 -19.916 -3.100 -10.053 1.00 35.40 H new ATOM 0 HA PHE A 14 -19.233 -2.033 -12.752 1.00 1.41 H new ATOM 0 HB2 PHE A 14 -17.519 -2.337 -10.261 1.00 74.41 H new ATOM 0 HB3 PHE A 14 -16.872 -2.027 -11.860 1.00 74.41 H new ATOM 0 HD1 PHE A 14 -18.689 -0.551 -9.012 1.00 15.12 H new ATOM 0 HD2 PHE A 14 -17.297 0.157 -12.987 1.00 55.02 H new ATOM 0 HE1 PHE A 14 -19.052 1.854 -8.712 1.00 43.25 H new ATOM 0 HE2 PHE A 14 -17.675 2.558 -12.680 1.00 41.11 H new ATOM 0 HZ PHE A 14 -18.549 3.414 -10.548 1.00 73.15 H new ATOM 212 N GLU A 15 -19.244 -4.476 -13.365 1.00 63.32 N ATOM 213 CA GLU A 15 -19.005 -5.798 -13.945 1.00 53.32 C ATOM 214 C GLU A 15 -17.615 -5.832 -14.598 1.00 32.25 C ATOM 215 O GLU A 15 -17.394 -5.252 -15.671 1.00 21.14 O ATOM 216 CB GLU A 15 -20.102 -6.147 -14.973 1.00 71.44 C ATOM 217 CG GLU A 15 -21.523 -6.157 -14.390 1.00 34.44 C ATOM 218 CD GLU A 15 -22.580 -6.602 -15.404 1.00 60.13 C ATOM 219 OE1 GLU A 15 -23.072 -5.756 -16.174 1.00 40.24 O ATOM 220 OE2 GLU A 15 -22.911 -7.799 -15.457 1.00 22.14 O ATOM 0 H GLU A 15 -19.923 -3.920 -13.884 1.00 63.32 H new ATOM 0 HA GLU A 15 -19.040 -6.545 -13.152 1.00 53.32 H new ATOM 0 HB2 GLU A 15 -20.061 -5.428 -15.791 1.00 71.44 H new ATOM 0 HB3 GLU A 15 -19.888 -7.127 -15.399 1.00 71.44 H new ATOM 0 HG2 GLU A 15 -21.552 -6.823 -13.527 1.00 34.44 H new ATOM 0 HG3 GLU A 15 -21.770 -5.158 -14.030 1.00 34.44 H new ATOM 227 N ILE A 16 -16.686 -6.471 -13.901 1.00 75.31 N ATOM 228 CA ILE A 16 -15.295 -6.625 -14.322 1.00 63.13 C ATOM 229 C ILE A 16 -15.003 -8.115 -14.454 1.00 43.14 C ATOM 230 O ILE A 16 -15.597 -8.941 -13.749 1.00 61.52 O ATOM 231 CB ILE A 16 -14.331 -5.941 -13.285 1.00 13.53 C ATOM 232 CG1 ILE A 16 -12.849 -5.927 -13.769 1.00 40.51 C ATOM 233 CG2 ILE A 16 -14.455 -6.600 -11.898 1.00 13.10 C ATOM 234 CD1 ILE A 16 -11.885 -5.219 -12.826 1.00 24.31 C ATOM 0 H ILE A 16 -16.882 -6.910 -13.001 1.00 75.31 H new ATOM 0 HA ILE A 16 -15.131 -6.137 -15.283 1.00 63.13 H new ATOM 0 HB ILE A 16 -14.644 -4.900 -13.200 1.00 13.53 H new ATOM 0 HG12 ILE A 16 -12.515 -6.955 -13.906 1.00 40.51 H new ATOM 0 HG13 ILE A 16 -12.803 -5.444 -14.745 1.00 40.51 H new ATOM 0 HG21 ILE A 16 -13.778 -6.108 -11.200 1.00 13.10 H new ATOM 0 HG22 ILE A 16 -15.480 -6.503 -11.539 1.00 13.10 H new ATOM 0 HG23 ILE A 16 -14.195 -7.656 -11.972 1.00 13.10 H new ATOM 0 HD11 ILE A 16 -10.877 -5.257 -13.240 1.00 24.31 H new ATOM 0 HD12 ILE A 16 -12.190 -4.179 -12.707 1.00 24.31 H new ATOM 0 HD13 ILE A 16 -11.897 -5.714 -11.855 1.00 24.31 H new ATOM 246 N GLU A 17 -14.128 -8.456 -15.392 1.00 41.11 N ATOM 247 CA GLU A 17 -13.714 -9.830 -15.613 1.00 35.15 C ATOM 248 C GLU A 17 -12.929 -10.332 -14.384 1.00 34.31 C ATOM 249 O GLU A 17 -12.101 -9.592 -13.839 1.00 73.12 O ATOM 250 CB GLU A 17 -12.879 -9.898 -16.907 1.00 13.24 C ATOM 251 CG GLU A 17 -12.586 -11.315 -17.385 1.00 4.50 C ATOM 252 CD GLU A 17 -11.574 -11.376 -18.539 1.00 12.32 C ATOM 253 OE1 GLU A 17 -10.368 -11.190 -18.290 1.00 55.10 O ATOM 254 OE2 GLU A 17 -11.980 -11.615 -19.695 1.00 2.54 O ATOM 0 H GLU A 17 -13.687 -7.784 -16.020 1.00 41.11 H new ATOM 0 HA GLU A 17 -14.579 -10.482 -15.737 1.00 35.15 H new ATOM 0 HB2 GLU A 17 -13.407 -9.362 -17.696 1.00 13.24 H new ATOM 0 HB3 GLU A 17 -11.935 -9.378 -16.745 1.00 13.24 H new ATOM 0 HG2 GLU A 17 -12.206 -11.901 -16.548 1.00 4.50 H new ATOM 0 HG3 GLU A 17 -13.518 -11.782 -17.704 1.00 4.50 H new ATOM 261 N LYS A 18 -13.217 -11.577 -13.956 1.00 33.25 N ATOM 262 CA LYS A 18 -12.643 -12.177 -12.735 1.00 53.55 C ATOM 263 C LYS A 18 -11.102 -12.236 -12.805 1.00 21.33 C ATOM 264 O LYS A 18 -10.424 -12.065 -11.791 1.00 0.43 O ATOM 265 CB LYS A 18 -13.236 -13.591 -12.521 1.00 44.43 C ATOM 266 CG LYS A 18 -12.741 -14.310 -11.243 1.00 41.35 C ATOM 267 CD LYS A 18 -13.336 -15.729 -11.082 1.00 33.44 C ATOM 268 CE LYS A 18 -12.967 -16.671 -12.245 1.00 24.30 C ATOM 269 NZ LYS A 18 -13.547 -18.032 -12.067 1.00 64.42 N ATOM 0 H LYS A 18 -13.858 -12.198 -14.450 1.00 33.25 H new ATOM 0 HA LYS A 18 -12.905 -11.546 -11.886 1.00 53.55 H new ATOM 0 HB2 LYS A 18 -14.322 -13.513 -12.480 1.00 44.43 H new ATOM 0 HB3 LYS A 18 -12.993 -14.208 -13.386 1.00 44.43 H new ATOM 0 HG2 LYS A 18 -11.653 -14.378 -11.269 1.00 41.35 H new ATOM 0 HG3 LYS A 18 -13.002 -13.711 -10.371 1.00 41.35 H new ATOM 0 HD2 LYS A 18 -12.983 -16.161 -10.146 1.00 33.44 H new ATOM 0 HD3 LYS A 18 -14.421 -15.656 -11.011 1.00 33.44 H new ATOM 0 HE2 LYS A 18 -13.323 -16.245 -13.183 1.00 24.30 H new ATOM 0 HE3 LYS A 18 -11.882 -16.746 -12.320 1.00 24.30 H new ATOM 0 HZ1 LYS A 18 -13.275 -18.633 -12.871 1.00 64.42 H new ATOM 0 HZ2 LYS A 18 -13.188 -18.450 -11.185 1.00 64.42 H new ATOM 0 HZ3 LYS A 18 -14.584 -17.964 -12.021 1.00 64.42 H new ATOM 283 N GLU A 19 -10.586 -12.451 -14.025 1.00 25.32 N ATOM 284 CA GLU A 19 -9.139 -12.439 -14.327 1.00 23.14 C ATOM 285 C GLU A 19 -8.497 -11.068 -13.992 1.00 32.34 C ATOM 286 O GLU A 19 -7.380 -11.005 -13.469 1.00 61.21 O ATOM 287 CB GLU A 19 -8.943 -12.826 -15.819 1.00 44.24 C ATOM 288 CG GLU A 19 -7.511 -12.678 -16.385 1.00 34.35 C ATOM 289 CD GLU A 19 -7.338 -13.346 -17.758 1.00 43.45 C ATOM 290 OE1 GLU A 19 -7.004 -12.655 -18.739 1.00 64.13 O ATOM 291 OE2 GLU A 19 -7.561 -14.566 -17.865 1.00 51.45 O ATOM 0 H GLU A 19 -11.166 -12.641 -14.842 1.00 25.32 H new ATOM 0 HA GLU A 19 -8.628 -13.169 -13.699 1.00 23.14 H new ATOM 0 HB2 GLU A 19 -9.256 -13.862 -15.947 1.00 44.24 H new ATOM 0 HB3 GLU A 19 -9.614 -12.214 -16.422 1.00 44.24 H new ATOM 0 HG2 GLU A 19 -7.267 -11.619 -16.469 1.00 34.35 H new ATOM 0 HG3 GLU A 19 -6.801 -13.115 -15.682 1.00 34.35 H new ATOM 298 N ILE A 20 -9.240 -9.983 -14.254 1.00 3.04 N ATOM 299 CA ILE A 20 -8.799 -8.605 -13.939 1.00 31.13 C ATOM 300 C ILE A 20 -9.026 -8.306 -12.431 1.00 74.12 C ATOM 301 O ILE A 20 -8.297 -7.523 -11.819 1.00 23.01 O ATOM 302 CB ILE A 20 -9.569 -7.537 -14.807 1.00 24.42 C ATOM 303 CG1 ILE A 20 -9.700 -7.992 -16.293 1.00 52.55 C ATOM 304 CG2 ILE A 20 -8.881 -6.156 -14.720 1.00 25.34 C ATOM 305 CD1 ILE A 20 -10.459 -7.025 -17.197 1.00 71.52 C ATOM 0 H ILE A 20 -10.162 -10.029 -14.689 1.00 3.04 H new ATOM 0 HA ILE A 20 -7.737 -8.536 -14.175 1.00 31.13 H new ATOM 0 HB ILE A 20 -10.575 -7.448 -14.397 1.00 24.42 H new ATOM 0 HG12 ILE A 20 -8.700 -8.140 -16.702 1.00 52.55 H new ATOM 0 HG13 ILE A 20 -10.201 -8.960 -16.319 1.00 52.55 H new ATOM 0 HG21 ILE A 20 -9.431 -5.437 -15.327 1.00 25.34 H new ATOM 0 HG22 ILE A 20 -8.868 -5.821 -13.683 1.00 25.34 H new ATOM 0 HG23 ILE A 20 -7.858 -6.235 -15.089 1.00 25.34 H new ATOM 0 HD11 ILE A 20 -10.498 -7.427 -18.209 1.00 71.52 H new ATOM 0 HD12 ILE A 20 -11.473 -6.894 -16.820 1.00 71.52 H new ATOM 0 HD13 ILE A 20 -9.949 -6.062 -17.209 1.00 71.52 H new ATOM 317 N ALA A 21 -10.055 -8.951 -11.848 1.00 32.21 N ATOM 318 CA ALA A 21 -10.388 -8.829 -10.408 1.00 71.11 C ATOM 319 C ALA A 21 -9.387 -9.604 -9.526 1.00 13.41 C ATOM 320 O ALA A 21 -9.296 -9.359 -8.319 1.00 61.04 O ATOM 321 CB ALA A 21 -11.823 -9.310 -10.158 1.00 12.15 C ATOM 0 H ALA A 21 -10.682 -9.573 -12.359 1.00 32.21 H new ATOM 0 HA ALA A 21 -10.315 -7.777 -10.131 1.00 71.11 H new ATOM 0 HB1 ALA A 21 -12.059 -9.217 -9.098 1.00 12.15 H new ATOM 0 HB2 ALA A 21 -12.517 -8.702 -10.739 1.00 12.15 H new ATOM 0 HB3 ALA A 21 -11.915 -10.353 -10.460 1.00 12.15 H new ATOM 327 N CYS A 22 -8.652 -10.546 -10.148 1.00 63.12 N ATOM 328 CA CYS A 22 -7.560 -11.286 -9.496 1.00 45.12 C ATOM 329 C CYS A 22 -6.311 -10.397 -9.294 1.00 20.11 C ATOM 330 O CYS A 22 -5.463 -10.707 -8.455 1.00 42.31 O ATOM 331 CB CYS A 22 -7.214 -12.551 -10.312 1.00 13.30 C ATOM 332 SG CYS A 22 -8.547 -13.772 -10.371 1.00 15.24 S ATOM 0 H CYS A 22 -8.802 -10.814 -11.121 1.00 63.12 H new ATOM 0 HA CYS A 22 -7.901 -11.591 -8.506 1.00 45.12 H new ATOM 0 HB2 CYS A 22 -6.959 -12.256 -11.330 1.00 13.30 H new ATOM 0 HB3 CYS A 22 -6.327 -13.017 -9.883 1.00 13.30 H new ATOM 0 HG CYS A 22 -9.597 -13.241 -10.924 1.00 15.24 H new ATOM 338 N MET A 23 -6.189 -9.316 -10.100 1.00 2.51 N ATOM 339 CA MET A 23 -5.119 -8.292 -9.935 1.00 73.45 C ATOM 340 C MET A 23 -5.261 -7.579 -8.574 1.00 21.52 C ATOM 341 O MET A 23 -4.272 -7.160 -7.954 1.00 2.13 O ATOM 342 CB MET A 23 -5.183 -7.254 -11.087 1.00 32.30 C ATOM 343 CG MET A 23 -4.988 -7.828 -12.498 1.00 72.32 C ATOM 344 SD MET A 23 -5.229 -6.582 -13.787 1.00 10.31 S ATOM 345 CE MET A 23 -3.953 -5.378 -13.388 1.00 25.31 C ATOM 0 H MET A 23 -6.821 -9.126 -10.878 1.00 2.51 H new ATOM 0 HA MET A 23 -4.153 -8.796 -9.968 1.00 73.45 H new ATOM 0 HB2 MET A 23 -6.149 -6.751 -11.047 1.00 32.30 H new ATOM 0 HB3 MET A 23 -4.421 -6.495 -10.913 1.00 32.30 H new ATOM 0 HG2 MET A 23 -3.985 -8.245 -12.582 1.00 72.32 H new ATOM 0 HG3 MET A 23 -5.688 -8.649 -12.654 1.00 72.32 H new ATOM 0 HE1 MET A 23 -3.508 -5.001 -14.309 1.00 25.31 H new ATOM 0 HE2 MET A 23 -4.394 -4.551 -12.833 1.00 25.31 H new ATOM 0 HE3 MET A 23 -3.182 -5.852 -12.781 1.00 25.31 H new ATOM 355 N SER A 24 -6.520 -7.452 -8.140 1.00 31.45 N ATOM 356 CA SER A 24 -6.874 -6.989 -6.804 1.00 45.13 C ATOM 357 C SER A 24 -6.764 -8.175 -5.842 1.00 42.02 C ATOM 358 O SER A 24 -7.550 -9.112 -5.957 1.00 2.02 O ATOM 359 CB SER A 24 -8.313 -6.422 -6.820 1.00 53.11 C ATOM 360 OG SER A 24 -8.684 -5.906 -5.556 1.00 33.33 O ATOM 0 H SER A 24 -7.330 -7.673 -8.720 1.00 31.45 H new ATOM 0 HA SER A 24 -6.201 -6.196 -6.478 1.00 45.13 H new ATOM 0 HB2 SER A 24 -8.386 -5.635 -7.571 1.00 53.11 H new ATOM 0 HB3 SER A 24 -9.011 -7.207 -7.112 1.00 53.11 H new ATOM 0 HG SER A 24 -7.879 -5.728 -5.026 1.00 33.33 H new ATOM 366 N VAL A 25 -5.773 -8.151 -4.924 1.00 54.42 N ATOM 367 CA VAL A 25 -5.528 -9.277 -3.995 1.00 32.44 C ATOM 368 C VAL A 25 -6.724 -9.463 -3.031 1.00 52.01 C ATOM 369 O VAL A 25 -7.119 -10.588 -2.761 1.00 72.54 O ATOM 370 CB VAL A 25 -4.189 -9.104 -3.182 1.00 73.34 C ATOM 371 CG1 VAL A 25 -3.899 -10.330 -2.272 1.00 32.55 C ATOM 372 CG2 VAL A 25 -2.994 -8.800 -4.125 1.00 63.34 C ATOM 0 H VAL A 25 -5.131 -7.367 -4.806 1.00 54.42 H new ATOM 0 HA VAL A 25 -5.422 -10.173 -4.606 1.00 32.44 H new ATOM 0 HB VAL A 25 -4.320 -8.245 -2.524 1.00 73.34 H new ATOM 0 HG11 VAL A 25 -2.967 -10.169 -1.730 1.00 32.55 H new ATOM 0 HG12 VAL A 25 -4.715 -10.456 -1.561 1.00 32.55 H new ATOM 0 HG13 VAL A 25 -3.811 -11.226 -2.886 1.00 32.55 H new ATOM 0 HG21 VAL A 25 -2.085 -8.686 -3.535 1.00 63.34 H new ATOM 0 HG22 VAL A 25 -2.868 -9.622 -4.830 1.00 63.34 H new ATOM 0 HG23 VAL A 25 -3.189 -7.878 -4.673 1.00 63.34 H new ATOM 382 N THR A 26 -7.312 -8.339 -2.559 1.00 54.41 N ATOM 383 CA THR A 26 -8.494 -8.356 -1.663 1.00 52.44 C ATOM 384 C THR A 26 -9.708 -9.043 -2.329 1.00 25.43 C ATOM 385 O THR A 26 -10.290 -9.969 -1.759 1.00 30.22 O ATOM 386 CB THR A 26 -8.881 -6.904 -1.211 1.00 12.21 C ATOM 387 OG1 THR A 26 -7.789 -6.323 -0.487 1.00 64.22 O ATOM 388 CG2 THR A 26 -10.152 -6.852 -0.331 1.00 75.13 C ATOM 0 H THR A 26 -6.984 -7.400 -2.786 1.00 54.41 H new ATOM 0 HA THR A 26 -8.217 -8.936 -0.783 1.00 52.44 H new ATOM 0 HB THR A 26 -9.097 -6.342 -2.120 1.00 12.21 H new ATOM 0 HG1 THR A 26 -8.008 -5.397 -0.251 1.00 64.22 H new ATOM 0 HG21 THR A 26 -10.361 -5.819 -0.055 1.00 75.13 H new ATOM 0 HG22 THR A 26 -10.997 -7.257 -0.888 1.00 75.13 H new ATOM 0 HG23 THR A 26 -9.995 -7.444 0.571 1.00 75.13 H new ATOM 396 N ILE A 27 -10.047 -8.600 -3.555 1.00 4.44 N ATOM 397 CA ILE A 27 -11.216 -9.110 -4.305 1.00 62.54 C ATOM 398 C ILE A 27 -10.973 -10.569 -4.755 1.00 0.44 C ATOM 399 O ILE A 27 -11.897 -11.390 -4.747 1.00 62.11 O ATOM 400 CB ILE A 27 -11.530 -8.176 -5.532 1.00 24.24 C ATOM 401 CG1 ILE A 27 -11.823 -6.721 -5.026 1.00 2.03 C ATOM 402 CG2 ILE A 27 -12.695 -8.726 -6.397 1.00 13.43 C ATOM 403 CD1 ILE A 27 -11.919 -5.667 -6.116 1.00 73.43 C ATOM 0 H ILE A 27 -9.522 -7.882 -4.054 1.00 4.44 H new ATOM 0 HA ILE A 27 -12.086 -9.104 -3.649 1.00 62.54 H new ATOM 0 HB ILE A 27 -10.653 -8.152 -6.179 1.00 24.24 H new ATOM 0 HG12 ILE A 27 -12.758 -6.729 -4.466 1.00 2.03 H new ATOM 0 HG13 ILE A 27 -11.037 -6.430 -4.329 1.00 2.03 H new ATOM 0 HG21 ILE A 27 -12.878 -8.050 -7.233 1.00 13.43 H new ATOM 0 HG22 ILE A 27 -12.431 -9.712 -6.779 1.00 13.43 H new ATOM 0 HG23 ILE A 27 -13.596 -8.802 -5.788 1.00 13.43 H new ATOM 0 HD11 ILE A 27 -12.124 -4.696 -5.666 1.00 73.43 H new ATOM 0 HD12 ILE A 27 -10.977 -5.622 -6.663 1.00 73.43 H new ATOM 0 HD13 ILE A 27 -12.725 -5.926 -6.802 1.00 73.43 H new ATOM 415 N LYS A 28 -9.705 -10.875 -5.094 1.00 55.43 N ATOM 416 CA LYS A 28 -9.238 -12.243 -5.411 1.00 42.01 C ATOM 417 C LYS A 28 -9.498 -13.182 -4.214 1.00 61.31 C ATOM 418 O LYS A 28 -10.075 -14.262 -4.376 1.00 71.11 O ATOM 419 CB LYS A 28 -7.725 -12.205 -5.760 1.00 70.53 C ATOM 420 CG LYS A 28 -7.090 -13.552 -6.158 1.00 41.33 C ATOM 421 CD LYS A 28 -5.584 -13.404 -6.496 1.00 30.42 C ATOM 422 CE LYS A 28 -4.911 -14.735 -6.860 1.00 25.44 C ATOM 423 NZ LYS A 28 -4.924 -15.696 -5.724 1.00 13.14 N ATOM 0 H LYS A 28 -8.967 -10.173 -5.157 1.00 55.43 H new ATOM 0 HA LYS A 28 -9.789 -12.625 -6.270 1.00 42.01 H new ATOM 0 HB2 LYS A 28 -7.579 -11.501 -6.579 1.00 70.53 H new ATOM 0 HB3 LYS A 28 -7.184 -11.811 -4.900 1.00 70.53 H new ATOM 0 HG2 LYS A 28 -7.211 -14.265 -5.343 1.00 41.33 H new ATOM 0 HG3 LYS A 28 -7.617 -13.961 -7.020 1.00 41.33 H new ATOM 0 HD2 LYS A 28 -5.472 -12.708 -7.328 1.00 30.42 H new ATOM 0 HD3 LYS A 28 -5.068 -12.965 -5.642 1.00 30.42 H new ATOM 0 HE2 LYS A 28 -5.422 -15.178 -7.715 1.00 25.44 H new ATOM 0 HE3 LYS A 28 -3.881 -14.549 -7.165 1.00 25.44 H new ATOM 0 HZ1 LYS A 28 -3.953 -16.011 -5.525 1.00 13.14 H new ATOM 0 HZ2 LYS A 28 -5.317 -15.231 -4.881 1.00 13.14 H new ATOM 0 HZ3 LYS A 28 -5.511 -16.518 -5.972 1.00 13.14 H new ATOM 437 N ASN A 29 -9.123 -12.700 -3.009 1.00 3.11 N ATOM 438 CA ASN A 29 -9.302 -13.431 -1.738 1.00 43.41 C ATOM 439 C ASN A 29 -10.790 -13.649 -1.428 1.00 72.41 C ATOM 440 O ASN A 29 -11.152 -14.691 -0.886 1.00 74.41 O ATOM 441 CB ASN A 29 -8.626 -12.680 -0.548 1.00 44.25 C ATOM 442 CG ASN A 29 -7.092 -12.654 -0.601 1.00 33.33 C ATOM 443 OD1 ASN A 29 -6.451 -13.550 -1.153 1.00 64.22 O ATOM 444 ND2 ASN A 29 -6.488 -11.628 -0.010 1.00 32.43 N ATOM 0 H ASN A 29 -8.685 -11.786 -2.892 1.00 3.11 H new ATOM 0 HA ASN A 29 -8.820 -14.401 -1.859 1.00 43.41 H new ATOM 0 HB2 ASN A 29 -8.994 -11.654 -0.526 1.00 44.25 H new ATOM 0 HB3 ASN A 29 -8.937 -13.150 0.385 1.00 44.25 H new ATOM 0 HD21 ASN A 29 -5.470 -11.569 -0.006 1.00 32.43 H new ATOM 0 HD22 ASN A 29 -7.043 -10.900 0.440 1.00 32.43 H new ATOM 451 N MET A 30 -11.639 -12.659 -1.784 1.00 65.54 N ATOM 452 CA MET A 30 -13.103 -12.735 -1.569 1.00 44.01 C ATOM 453 C MET A 30 -13.715 -13.885 -2.391 1.00 22.15 C ATOM 454 O MET A 30 -14.486 -14.695 -1.866 1.00 10.14 O ATOM 455 CB MET A 30 -13.810 -11.399 -1.942 1.00 45.04 C ATOM 456 CG MET A 30 -13.415 -10.196 -1.078 1.00 41.13 C ATOM 457 SD MET A 30 -13.738 -10.464 0.680 1.00 63.52 S ATOM 458 CE MET A 30 -13.142 -8.929 1.395 1.00 4.51 C ATOM 0 H MET A 30 -11.333 -11.792 -2.225 1.00 65.54 H new ATOM 0 HA MET A 30 -13.261 -12.923 -0.507 1.00 44.01 H new ATOM 0 HB2 MET A 30 -13.590 -11.167 -2.984 1.00 45.04 H new ATOM 0 HB3 MET A 30 -14.888 -11.542 -1.868 1.00 45.04 H new ATOM 0 HG2 MET A 30 -12.355 -9.984 -1.220 1.00 41.13 H new ATOM 0 HG3 MET A 30 -13.964 -9.316 -1.414 1.00 41.13 H new ATOM 0 HE1 MET A 30 -13.279 -8.954 2.476 1.00 4.51 H new ATOM 0 HE2 MET A 30 -12.083 -8.808 1.166 1.00 4.51 H new ATOM 0 HE3 MET A 30 -13.702 -8.092 0.978 1.00 4.51 H new ATOM 468 N ILE A 31 -13.321 -13.948 -3.679 1.00 53.22 N ATOM 469 CA ILE A 31 -13.819 -14.950 -4.642 1.00 40.03 C ATOM 470 C ILE A 31 -13.359 -16.365 -4.237 1.00 54.25 C ATOM 471 O ILE A 31 -14.156 -17.298 -4.238 1.00 51.24 O ATOM 472 CB ILE A 31 -13.347 -14.609 -6.114 1.00 21.52 C ATOM 473 CG1 ILE A 31 -13.848 -13.181 -6.524 1.00 23.54 C ATOM 474 CG2 ILE A 31 -13.824 -15.677 -7.140 1.00 72.22 C ATOM 475 CD1 ILE A 31 -13.275 -12.645 -7.828 1.00 52.14 C ATOM 0 H ILE A 31 -12.644 -13.301 -4.082 1.00 53.22 H new ATOM 0 HA ILE A 31 -14.909 -14.923 -4.625 1.00 40.03 H new ATOM 0 HB ILE A 31 -12.257 -14.620 -6.125 1.00 21.52 H new ATOM 0 HG12 ILE A 31 -14.935 -13.204 -6.605 1.00 23.54 H new ATOM 0 HG13 ILE A 31 -13.603 -12.483 -5.723 1.00 23.54 H new ATOM 0 HG21 ILE A 31 -13.478 -15.404 -8.137 1.00 72.22 H new ATOM 0 HG22 ILE A 31 -13.416 -16.650 -6.868 1.00 72.22 H new ATOM 0 HG23 ILE A 31 -14.913 -15.726 -7.134 1.00 72.22 H new ATOM 0 HD11 ILE A 31 -13.682 -11.653 -8.024 1.00 52.14 H new ATOM 0 HD12 ILE A 31 -12.190 -12.583 -7.750 1.00 52.14 H new ATOM 0 HD13 ILE A 31 -13.542 -13.315 -8.645 1.00 52.14 H new ATOM 487 N GLU A 32 -12.075 -16.483 -3.842 1.00 21.14 N ATOM 488 CA GLU A 32 -11.464 -17.772 -3.437 1.00 22.01 C ATOM 489 C GLU A 32 -11.995 -18.257 -2.070 1.00 14.32 C ATOM 490 O GLU A 32 -12.059 -19.465 -1.822 1.00 44.41 O ATOM 491 CB GLU A 32 -9.921 -17.647 -3.404 1.00 13.12 C ATOM 492 CG GLU A 32 -9.286 -17.303 -4.765 1.00 52.21 C ATOM 493 CD GLU A 32 -7.762 -17.135 -4.679 1.00 54.12 C ATOM 494 OE1 GLU A 32 -7.011 -17.965 -5.244 1.00 41.42 O ATOM 495 OE2 GLU A 32 -7.301 -16.171 -4.033 1.00 40.43 O ATOM 0 H GLU A 32 -11.432 -15.693 -3.794 1.00 21.14 H new ATOM 0 HA GLU A 32 -11.746 -18.518 -4.180 1.00 22.01 H new ATOM 0 HB2 GLU A 32 -9.645 -16.878 -2.682 1.00 13.12 H new ATOM 0 HB3 GLU A 32 -9.499 -18.586 -3.046 1.00 13.12 H new ATOM 0 HG2 GLU A 32 -9.521 -18.090 -5.481 1.00 52.21 H new ATOM 0 HG3 GLU A 32 -9.729 -16.383 -5.146 1.00 52.21 H new ATOM 502 N ASP A 33 -12.381 -17.304 -1.199 1.00 1.23 N ATOM 503 CA ASP A 33 -12.933 -17.598 0.149 1.00 25.13 C ATOM 504 C ASP A 33 -14.329 -18.228 0.036 1.00 24.21 C ATOM 505 O ASP A 33 -14.650 -19.202 0.728 1.00 0.35 O ATOM 506 CB ASP A 33 -12.985 -16.301 0.999 1.00 72.25 C ATOM 507 CG ASP A 33 -13.564 -16.511 2.406 1.00 44.34 C ATOM 508 OD1 ASP A 33 -12.864 -17.078 3.269 1.00 0.33 O ATOM 509 OD2 ASP A 33 -14.720 -16.104 2.662 1.00 41.32 O ATOM 0 H ASP A 33 -12.321 -16.307 -1.405 1.00 1.23 H new ATOM 0 HA ASP A 33 -12.278 -18.314 0.646 1.00 25.13 H new ATOM 0 HB2 ASP A 33 -11.978 -15.893 1.087 1.00 72.25 H new ATOM 0 HB3 ASP A 33 -13.585 -15.557 0.475 1.00 72.25 H new ATOM 514 N ILE A 34 -15.138 -17.651 -0.860 1.00 63.35 N ATOM 515 CA ILE A 34 -16.463 -18.180 -1.230 1.00 62.42 C ATOM 516 C ILE A 34 -16.295 -19.411 -2.155 1.00 74.10 C ATOM 517 O ILE A 34 -17.184 -20.264 -2.256 1.00 42.41 O ATOM 518 CB ILE A 34 -17.314 -17.052 -1.945 1.00 32.40 C ATOM 519 CG1 ILE A 34 -17.414 -15.786 -1.035 1.00 3.42 C ATOM 520 CG2 ILE A 34 -18.726 -17.551 -2.338 1.00 72.11 C ATOM 521 CD1 ILE A 34 -18.110 -14.592 -1.670 1.00 24.22 C ATOM 0 H ILE A 34 -14.892 -16.794 -1.356 1.00 63.35 H new ATOM 0 HA ILE A 34 -16.993 -18.492 -0.330 1.00 62.42 H new ATOM 0 HB ILE A 34 -16.796 -16.787 -2.867 1.00 32.40 H new ATOM 0 HG12 ILE A 34 -17.946 -16.054 -0.122 1.00 3.42 H new ATOM 0 HG13 ILE A 34 -16.408 -15.487 -0.742 1.00 3.42 H new ATOM 0 HG21 ILE A 34 -19.274 -16.745 -2.825 1.00 72.11 H new ATOM 0 HG22 ILE A 34 -18.636 -18.394 -3.023 1.00 72.11 H new ATOM 0 HG23 ILE A 34 -19.263 -17.866 -1.443 1.00 72.11 H new ATOM 0 HD11 ILE A 34 -18.130 -13.764 -0.962 1.00 24.22 H new ATOM 0 HD12 ILE A 34 -17.569 -14.290 -2.567 1.00 24.22 H new ATOM 0 HD13 ILE A 34 -19.131 -14.866 -1.937 1.00 24.22 H new ATOM 533 N GLY A 35 -15.114 -19.501 -2.799 1.00 12.24 N ATOM 534 CA GLY A 35 -14.825 -20.525 -3.793 1.00 63.03 C ATOM 535 C GLY A 35 -15.355 -20.099 -5.147 1.00 61.20 C ATOM 536 O GLY A 35 -14.601 -19.663 -6.025 1.00 32.35 O ATOM 0 H GLY A 35 -14.339 -18.858 -2.636 1.00 12.24 H new ATOM 0 HA2 GLY A 35 -13.750 -20.694 -3.851 1.00 63.03 H new ATOM 0 HA3 GLY A 35 -15.280 -21.470 -3.496 1.00 63.03 H new ATOM 540 N GLU A 36 -16.677 -20.186 -5.289 1.00 1.41 N ATOM 541 CA GLU A 36 -17.405 -19.750 -6.486 1.00 54.42 C ATOM 542 C GLU A 36 -18.314 -18.576 -6.093 1.00 52.32 C ATOM 543 O GLU A 36 -19.417 -18.784 -5.567 1.00 70.43 O ATOM 544 CB GLU A 36 -18.222 -20.941 -7.050 1.00 11.42 C ATOM 545 CG GLU A 36 -17.358 -22.170 -7.419 1.00 1.14 C ATOM 546 CD GLU A 36 -18.174 -23.455 -7.645 1.00 3.51 C ATOM 547 OE1 GLU A 36 -18.514 -23.767 -8.804 1.00 54.34 O ATOM 548 OE2 GLU A 36 -18.474 -24.161 -6.654 1.00 43.33 O ATOM 0 H GLU A 36 -17.285 -20.568 -4.564 1.00 1.41 H new ATOM 0 HA GLU A 36 -16.719 -19.419 -7.266 1.00 54.42 H new ATOM 0 HB2 GLU A 36 -18.967 -21.240 -6.313 1.00 11.42 H new ATOM 0 HB3 GLU A 36 -18.765 -20.611 -7.936 1.00 11.42 H new ATOM 0 HG2 GLU A 36 -16.791 -21.946 -8.323 1.00 1.14 H new ATOM 0 HG3 GLU A 36 -16.633 -22.346 -6.624 1.00 1.14 H new ATOM 555 N SER A 37 -17.809 -17.342 -6.274 1.00 32.43 N ATOM 556 CA SER A 37 -18.542 -16.123 -5.916 1.00 45.32 C ATOM 557 C SER A 37 -19.599 -15.804 -6.991 1.00 41.11 C ATOM 558 O SER A 37 -19.349 -15.038 -7.935 1.00 43.32 O ATOM 559 CB SER A 37 -17.559 -14.943 -5.706 1.00 33.15 C ATOM 560 OG SER A 37 -18.215 -13.781 -5.217 1.00 44.44 O ATOM 0 H SER A 37 -16.886 -17.167 -6.671 1.00 32.43 H new ATOM 0 HA SER A 37 -19.066 -16.283 -4.974 1.00 45.32 H new ATOM 0 HB2 SER A 37 -16.780 -15.241 -5.004 1.00 33.15 H new ATOM 0 HB3 SER A 37 -17.066 -14.710 -6.650 1.00 33.15 H new ATOM 0 HG SER A 37 -18.985 -13.576 -5.787 1.00 44.44 H new ATOM 566 N ASP A 38 -20.760 -16.470 -6.866 1.00 64.54 N ATOM 567 CA ASP A 38 -21.957 -16.185 -7.679 1.00 32.23 C ATOM 568 C ASP A 38 -22.589 -14.869 -7.209 1.00 63.53 C ATOM 569 O ASP A 38 -23.160 -14.112 -8.007 1.00 42.21 O ATOM 570 CB ASP A 38 -22.983 -17.344 -7.563 1.00 0.43 C ATOM 571 CG ASP A 38 -22.492 -18.654 -8.200 1.00 52.11 C ATOM 572 OD1 ASP A 38 -22.847 -18.931 -9.372 1.00 31.12 O ATOM 573 OD2 ASP A 38 -21.750 -19.413 -7.538 1.00 60.35 O ATOM 0 H ASP A 38 -20.896 -17.226 -6.194 1.00 64.54 H new ATOM 0 HA ASP A 38 -21.664 -16.093 -8.725 1.00 32.23 H new ATOM 0 HB2 ASP A 38 -23.205 -17.520 -6.510 1.00 0.43 H new ATOM 0 HB3 ASP A 38 -23.916 -17.043 -8.039 1.00 0.43 H new ATOM 578 N SER A 39 -22.458 -14.609 -5.898 1.00 21.51 N ATOM 579 CA SER A 39 -22.915 -13.373 -5.271 1.00 72.31 C ATOM 580 C SER A 39 -21.953 -12.230 -5.652 1.00 54.23 C ATOM 581 O SER A 39 -20.732 -12.443 -5.678 1.00 23.04 O ATOM 582 CB SER A 39 -22.963 -13.535 -3.735 1.00 23.34 C ATOM 583 OG SER A 39 -23.834 -14.583 -3.352 1.00 30.25 O ATOM 0 H SER A 39 -22.027 -15.262 -5.243 1.00 21.51 H new ATOM 0 HA SER A 39 -23.920 -13.140 -5.623 1.00 72.31 H new ATOM 0 HB2 SER A 39 -21.961 -13.737 -3.358 1.00 23.34 H new ATOM 0 HB3 SER A 39 -23.293 -12.601 -3.279 1.00 23.34 H new ATOM 0 HG SER A 39 -23.841 -14.662 -2.375 1.00 30.25 H new ATOM 589 N PRO A 40 -22.478 -11.017 -5.976 1.00 20.11 N ATOM 590 CA PRO A 40 -21.622 -9.842 -6.252 1.00 71.53 C ATOM 591 C PRO A 40 -20.914 -9.359 -4.965 1.00 41.14 C ATOM 592 O PRO A 40 -21.487 -9.446 -3.872 1.00 22.42 O ATOM 593 CB PRO A 40 -22.630 -8.808 -6.800 1.00 43.05 C ATOM 594 CG PRO A 40 -23.945 -9.183 -6.191 1.00 12.22 C ATOM 595 CD PRO A 40 -23.930 -10.691 -6.110 1.00 31.44 C ATOM 0 HA PRO A 40 -20.809 -10.039 -6.950 1.00 71.53 H new ATOM 0 HB2 PRO A 40 -22.343 -7.793 -6.524 1.00 43.05 H new ATOM 0 HB3 PRO A 40 -22.676 -8.841 -7.889 1.00 43.05 H new ATOM 0 HG2 PRO A 40 -24.063 -8.737 -5.203 1.00 12.22 H new ATOM 0 HG3 PRO A 40 -24.776 -8.830 -6.801 1.00 12.22 H new ATOM 0 HD2 PRO A 40 -24.503 -11.053 -5.257 1.00 31.44 H new ATOM 0 HD3 PRO A 40 -24.363 -11.145 -7.001 1.00 31.44 H new ATOM 603 N ILE A 41 -19.657 -8.895 -5.091 1.00 20.23 N ATOM 604 CA ILE A 41 -18.859 -8.431 -3.940 1.00 32.41 C ATOM 605 C ILE A 41 -18.961 -6.891 -3.833 1.00 2.23 C ATOM 606 O ILE A 41 -18.374 -6.180 -4.656 1.00 0.13 O ATOM 607 CB ILE A 41 -17.345 -8.882 -4.067 1.00 62.42 C ATOM 608 CG1 ILE A 41 -17.222 -10.438 -4.198 1.00 53.25 C ATOM 609 CG2 ILE A 41 -16.489 -8.363 -2.884 1.00 74.22 C ATOM 610 CD1 ILE A 41 -17.765 -11.231 -3.018 1.00 34.32 C ATOM 0 H ILE A 41 -19.169 -8.831 -5.985 1.00 20.23 H new ATOM 0 HA ILE A 41 -19.258 -8.885 -3.033 1.00 32.41 H new ATOM 0 HB ILE A 41 -16.955 -8.433 -4.980 1.00 62.42 H new ATOM 0 HG12 ILE A 41 -17.747 -10.754 -5.100 1.00 53.25 H new ATOM 0 HG13 ILE A 41 -16.171 -10.693 -4.335 1.00 53.25 H new ATOM 0 HG21 ILE A 41 -15.458 -8.694 -3.008 1.00 74.22 H new ATOM 0 HG22 ILE A 41 -16.521 -7.274 -2.862 1.00 74.22 H new ATOM 0 HG23 ILE A 41 -16.886 -8.756 -1.948 1.00 74.22 H new ATOM 0 HD11 ILE A 41 -17.634 -12.297 -3.205 1.00 34.32 H new ATOM 0 HD12 ILE A 41 -17.226 -10.952 -2.113 1.00 34.32 H new ATOM 0 HD13 ILE A 41 -18.825 -11.013 -2.890 1.00 34.32 H new ATOM 622 N PRO A 42 -19.739 -6.342 -2.840 1.00 31.05 N ATOM 623 CA PRO A 42 -19.768 -4.892 -2.582 1.00 50.33 C ATOM 624 C PRO A 42 -18.560 -4.449 -1.722 1.00 62.44 C ATOM 625 O PRO A 42 -18.081 -5.198 -0.854 1.00 63.13 O ATOM 626 CB PRO A 42 -21.111 -4.698 -1.846 1.00 25.31 C ATOM 627 CG PRO A 42 -21.309 -5.975 -1.083 1.00 14.30 C ATOM 628 CD PRO A 42 -20.661 -7.073 -1.917 1.00 1.54 C ATOM 0 HA PRO A 42 -19.694 -4.288 -3.486 1.00 50.33 H new ATOM 0 HB2 PRO A 42 -21.077 -3.838 -1.178 1.00 25.31 H new ATOM 0 HB3 PRO A 42 -21.927 -4.524 -2.548 1.00 25.31 H new ATOM 0 HG2 PRO A 42 -20.850 -5.914 -0.096 1.00 14.30 H new ATOM 0 HG3 PRO A 42 -22.369 -6.177 -0.930 1.00 14.30 H new ATOM 0 HD2 PRO A 42 -20.118 -7.780 -1.290 1.00 1.54 H new ATOM 0 HD3 PRO A 42 -21.406 -7.645 -2.470 1.00 1.54 H new ATOM 636 N LEU A 43 -18.069 -3.233 -1.994 1.00 13.22 N ATOM 637 CA LEU A 43 -16.939 -2.623 -1.281 1.00 50.31 C ATOM 638 C LEU A 43 -17.447 -1.340 -0.570 1.00 10.30 C ATOM 639 O LEU A 43 -17.405 -0.252 -1.158 1.00 14.42 O ATOM 640 CB LEU A 43 -15.760 -2.300 -2.272 1.00 33.34 C ATOM 641 CG LEU A 43 -15.003 -3.510 -2.947 1.00 44.31 C ATOM 642 CD1 LEU A 43 -14.587 -4.581 -1.914 1.00 21.01 C ATOM 643 CD2 LEU A 43 -15.799 -4.115 -4.129 1.00 74.24 C ATOM 0 H LEU A 43 -18.452 -2.636 -2.727 1.00 13.22 H new ATOM 0 HA LEU A 43 -16.547 -3.319 -0.539 1.00 50.31 H new ATOM 0 HB2 LEU A 43 -16.157 -1.669 -3.068 1.00 33.34 H new ATOM 0 HB3 LEU A 43 -15.023 -1.706 -1.731 1.00 33.34 H new ATOM 0 HG LEU A 43 -14.083 -3.107 -3.370 1.00 44.31 H new ATOM 0 HD11 LEU A 43 -14.069 -5.395 -2.422 1.00 21.01 H new ATOM 0 HD12 LEU A 43 -13.923 -4.134 -1.174 1.00 21.01 H new ATOM 0 HD13 LEU A 43 -15.475 -4.971 -1.416 1.00 21.01 H new ATOM 0 HD21 LEU A 43 -15.237 -4.944 -4.560 1.00 74.24 H new ATOM 0 HD22 LEU A 43 -16.763 -4.477 -3.771 1.00 74.24 H new ATOM 0 HD23 LEU A 43 -15.959 -3.351 -4.889 1.00 74.24 H new ATOM 655 N PRO A 44 -17.975 -1.453 0.701 1.00 63.52 N ATOM 656 CA PRO A 44 -18.586 -0.312 1.438 1.00 44.21 C ATOM 657 C PRO A 44 -17.521 0.613 2.095 1.00 12.45 C ATOM 658 O PRO A 44 -17.457 0.764 3.324 1.00 21.12 O ATOM 659 CB PRO A 44 -19.478 -1.040 2.478 1.00 42.31 C ATOM 660 CG PRO A 44 -18.726 -2.297 2.801 1.00 25.51 C ATOM 661 CD PRO A 44 -18.011 -2.702 1.521 1.00 71.25 C ATOM 0 HA PRO A 44 -19.142 0.374 0.799 1.00 44.21 H new ATOM 0 HB2 PRO A 44 -19.631 -0.429 3.368 1.00 42.31 H new ATOM 0 HB3 PRO A 44 -20.464 -1.261 2.070 1.00 42.31 H new ATOM 0 HG2 PRO A 44 -18.014 -2.128 3.609 1.00 25.51 H new ATOM 0 HG3 PRO A 44 -19.405 -3.083 3.134 1.00 25.51 H new ATOM 0 HD2 PRO A 44 -17.006 -3.070 1.727 1.00 71.25 H new ATOM 0 HD3 PRO A 44 -18.544 -3.501 1.005 1.00 71.25 H new ATOM 669 N ASN A 45 -16.706 1.243 1.233 1.00 40.44 N ATOM 670 CA ASN A 45 -15.590 2.119 1.633 1.00 1.41 C ATOM 671 C ASN A 45 -15.229 3.047 0.456 1.00 72.41 C ATOM 672 O ASN A 45 -15.297 4.277 0.568 1.00 73.12 O ATOM 673 CB ASN A 45 -14.364 1.260 2.059 1.00 64.12 C ATOM 674 CG ASN A 45 -13.083 2.064 2.320 1.00 14.03 C ATOM 675 OD1 ASN A 45 -12.263 2.265 1.417 1.00 65.31 O ATOM 676 ND2 ASN A 45 -12.894 2.523 3.551 1.00 41.33 N ATOM 0 H ASN A 45 -16.805 1.157 0.221 1.00 40.44 H new ATOM 0 HA ASN A 45 -15.887 2.729 2.486 1.00 1.41 H new ATOM 0 HB2 ASN A 45 -14.621 0.706 2.962 1.00 64.12 H new ATOM 0 HB3 ASN A 45 -14.164 0.524 1.280 1.00 64.12 H new ATOM 0 HD21 ASN A 45 -12.054 3.058 3.773 1.00 41.33 H new ATOM 0 HD22 ASN A 45 -13.589 2.341 4.275 1.00 41.33 H new ATOM 683 N VAL A 46 -14.873 2.434 -0.683 1.00 11.05 N ATOM 684 CA VAL A 46 -14.439 3.159 -1.892 1.00 41.53 C ATOM 685 C VAL A 46 -15.666 3.610 -2.732 1.00 21.53 C ATOM 686 O VAL A 46 -16.562 2.808 -3.011 1.00 73.32 O ATOM 687 CB VAL A 46 -13.442 2.276 -2.739 1.00 71.42 C ATOM 688 CG1 VAL A 46 -14.050 0.905 -3.117 1.00 20.45 C ATOM 689 CG2 VAL A 46 -12.930 3.042 -3.979 1.00 52.11 C ATOM 0 H VAL A 46 -14.877 1.420 -0.794 1.00 11.05 H new ATOM 0 HA VAL A 46 -13.904 4.059 -1.587 1.00 41.53 H new ATOM 0 HB VAL A 46 -12.581 2.066 -2.105 1.00 71.42 H new ATOM 0 HG11 VAL A 46 -13.326 0.334 -3.699 1.00 20.45 H new ATOM 0 HG12 VAL A 46 -14.300 0.355 -2.210 1.00 20.45 H new ATOM 0 HG13 VAL A 46 -14.952 1.058 -3.709 1.00 20.45 H new ATOM 0 HG21 VAL A 46 -12.245 2.407 -4.542 1.00 52.11 H new ATOM 0 HG22 VAL A 46 -13.774 3.316 -4.612 1.00 52.11 H new ATOM 0 HG23 VAL A 46 -12.409 3.944 -3.660 1.00 52.11 H new ATOM 699 N THR A 47 -15.694 4.902 -3.114 1.00 60.25 N ATOM 700 CA THR A 47 -16.812 5.516 -3.870 1.00 65.15 C ATOM 701 C THR A 47 -16.820 5.040 -5.337 1.00 41.12 C ATOM 702 O THR A 47 -15.842 4.451 -5.793 1.00 34.33 O ATOM 703 CB THR A 47 -16.711 7.074 -3.817 1.00 53.34 C ATOM 704 OG1 THR A 47 -15.469 7.498 -4.400 1.00 41.42 O ATOM 705 CG2 THR A 47 -16.808 7.604 -2.374 1.00 12.34 C ATOM 0 H THR A 47 -14.939 5.556 -2.907 1.00 60.25 H new ATOM 0 HA THR A 47 -17.745 5.201 -3.403 1.00 65.15 H new ATOM 0 HB THR A 47 -17.549 7.481 -4.382 1.00 53.34 H new ATOM 0 HG1 THR A 47 -15.409 8.476 -4.367 1.00 41.42 H new ATOM 0 HG21 THR A 47 -16.734 8.691 -2.380 1.00 12.34 H new ATOM 0 HG22 THR A 47 -17.764 7.308 -1.941 1.00 12.34 H new ATOM 0 HG23 THR A 47 -15.996 7.188 -1.778 1.00 12.34 H new ATOM 713 N SER A 48 -17.916 5.330 -6.071 1.00 74.10 N ATOM 714 CA SER A 48 -18.132 4.822 -7.447 1.00 2.31 C ATOM 715 C SER A 48 -17.063 5.308 -8.441 1.00 3.41 C ATOM 716 O SER A 48 -16.509 4.504 -9.189 1.00 23.11 O ATOM 717 CB SER A 48 -19.541 5.218 -7.938 1.00 31.11 C ATOM 718 OG SER A 48 -19.770 6.613 -7.787 1.00 54.14 O ATOM 0 H SER A 48 -18.674 5.920 -5.730 1.00 74.10 H new ATOM 0 HA SER A 48 -18.046 3.736 -7.404 1.00 2.31 H new ATOM 0 HB2 SER A 48 -19.654 4.941 -8.986 1.00 31.11 H new ATOM 0 HB3 SER A 48 -20.293 4.662 -7.378 1.00 31.11 H new ATOM 0 HG SER A 48 -20.677 6.761 -7.446 1.00 54.14 H new ATOM 724 N THR A 49 -16.778 6.617 -8.416 1.00 71.41 N ATOM 725 CA THR A 49 -15.829 7.263 -9.345 1.00 34.32 C ATOM 726 C THR A 49 -14.393 6.751 -9.126 1.00 13.21 C ATOM 727 O THR A 49 -13.674 6.459 -10.088 1.00 63.04 O ATOM 728 CB THR A 49 -15.878 8.816 -9.168 1.00 12.20 C ATOM 729 OG1 THR A 49 -15.696 9.144 -7.781 1.00 4.32 O ATOM 730 CG2 THR A 49 -17.214 9.410 -9.660 1.00 60.34 C ATOM 0 H THR A 49 -17.199 7.264 -7.749 1.00 71.41 H new ATOM 0 HA THR A 49 -16.126 7.006 -10.362 1.00 34.32 H new ATOM 0 HB THR A 49 -15.078 9.245 -9.771 1.00 12.20 H new ATOM 0 HG1 THR A 49 -15.725 10.117 -7.668 1.00 4.32 H new ATOM 0 HG21 THR A 49 -17.206 10.491 -9.519 1.00 60.34 H new ATOM 0 HG22 THR A 49 -17.345 9.183 -10.718 1.00 60.34 H new ATOM 0 HG23 THR A 49 -18.036 8.976 -9.091 1.00 60.34 H new ATOM 738 N ILE A 50 -14.003 6.618 -7.848 1.00 5.21 N ATOM 739 CA ILE A 50 -12.650 6.190 -7.460 1.00 51.33 C ATOM 740 C ILE A 50 -12.452 4.687 -7.755 1.00 44.00 C ATOM 741 O ILE A 50 -11.421 4.288 -8.298 1.00 51.53 O ATOM 742 CB ILE A 50 -12.377 6.520 -5.945 1.00 72.42 C ATOM 743 CG1 ILE A 50 -12.569 8.050 -5.673 1.00 23.32 C ATOM 744 CG2 ILE A 50 -10.973 6.050 -5.493 1.00 15.23 C ATOM 745 CD1 ILE A 50 -11.673 8.976 -6.491 1.00 31.12 C ATOM 0 H ILE A 50 -14.617 6.804 -7.055 1.00 5.21 H new ATOM 0 HA ILE A 50 -11.925 6.745 -8.056 1.00 51.33 H new ATOM 0 HB ILE A 50 -13.106 5.967 -5.353 1.00 72.42 H new ATOM 0 HG12 ILE A 50 -13.609 8.310 -5.871 1.00 23.32 H new ATOM 0 HG13 ILE A 50 -12.389 8.239 -4.615 1.00 23.32 H new ATOM 0 HG21 ILE A 50 -10.827 6.298 -4.442 1.00 15.23 H new ATOM 0 HG22 ILE A 50 -10.890 4.971 -5.626 1.00 15.23 H new ATOM 0 HG23 ILE A 50 -10.212 6.549 -6.092 1.00 15.23 H new ATOM 0 HD11 ILE A 50 -11.884 10.012 -6.228 1.00 31.12 H new ATOM 0 HD12 ILE A 50 -10.628 8.753 -6.277 1.00 31.12 H new ATOM 0 HD13 ILE A 50 -11.866 8.825 -7.553 1.00 31.12 H new ATOM 757 N LEU A 51 -13.482 3.875 -7.429 1.00 3.22 N ATOM 758 CA LEU A 51 -13.497 2.413 -7.681 1.00 55.45 C ATOM 759 C LEU A 51 -13.436 2.142 -9.198 1.00 61.41 C ATOM 760 O LEU A 51 -12.763 1.199 -9.638 1.00 35.30 O ATOM 761 CB LEU A 51 -14.771 1.781 -7.018 1.00 60.24 C ATOM 762 CG LEU A 51 -14.926 0.209 -6.966 1.00 34.21 C ATOM 763 CD1 LEU A 51 -15.440 -0.390 -8.283 1.00 21.42 C ATOM 764 CD2 LEU A 51 -13.622 -0.484 -6.520 1.00 35.30 C ATOM 0 H LEU A 51 -14.333 4.216 -6.981 1.00 3.22 H new ATOM 0 HA LEU A 51 -12.621 1.945 -7.231 1.00 55.45 H new ATOM 0 HB2 LEU A 51 -14.821 2.148 -5.993 1.00 60.24 H new ATOM 0 HB3 LEU A 51 -15.641 2.177 -7.541 1.00 60.24 H new ATOM 0 HG LEU A 51 -15.689 0.014 -6.212 1.00 34.21 H new ATOM 0 HD11 LEU A 51 -15.524 -1.472 -8.182 1.00 21.42 H new ATOM 0 HD12 LEU A 51 -16.418 0.030 -8.516 1.00 21.42 H new ATOM 0 HD13 LEU A 51 -14.743 -0.154 -9.087 1.00 21.42 H new ATOM 0 HD21 LEU A 51 -13.773 -1.563 -6.498 1.00 35.30 H new ATOM 0 HD22 LEU A 51 -12.824 -0.243 -7.222 1.00 35.30 H new ATOM 0 HD23 LEU A 51 -13.347 -0.136 -5.524 1.00 35.30 H new ATOM 776 N GLU A 52 -14.130 3.003 -9.977 1.00 72.13 N ATOM 777 CA GLU A 52 -14.126 2.946 -11.445 1.00 53.21 C ATOM 778 C GLU A 52 -12.696 3.114 -11.965 1.00 51.52 C ATOM 779 O GLU A 52 -12.220 2.283 -12.730 1.00 72.45 O ATOM 780 CB GLU A 52 -15.036 4.047 -12.055 1.00 33.40 C ATOM 781 CG GLU A 52 -15.117 4.015 -13.595 1.00 31.45 C ATOM 782 CD GLU A 52 -15.974 5.144 -14.179 1.00 55.41 C ATOM 783 OE1 GLU A 52 -15.422 6.222 -14.492 1.00 53.00 O ATOM 784 OE2 GLU A 52 -17.207 4.971 -14.322 1.00 12.23 O ATOM 0 H GLU A 52 -14.707 3.755 -9.599 1.00 72.13 H new ATOM 0 HA GLU A 52 -14.517 1.975 -11.747 1.00 53.21 H new ATOM 0 HB2 GLU A 52 -16.041 3.940 -11.647 1.00 33.40 H new ATOM 0 HB3 GLU A 52 -14.667 5.023 -11.741 1.00 33.40 H new ATOM 0 HG2 GLU A 52 -14.110 4.082 -14.007 1.00 31.45 H new ATOM 0 HG3 GLU A 52 -15.527 3.056 -13.911 1.00 31.45 H new ATOM 791 N LYS A 53 -12.021 4.176 -11.485 1.00 3.51 N ATOM 792 CA LYS A 53 -10.654 4.520 -11.905 1.00 24.04 C ATOM 793 C LYS A 53 -9.666 3.371 -11.612 1.00 11.24 C ATOM 794 O LYS A 53 -8.978 2.900 -12.520 1.00 73.01 O ATOM 795 CB LYS A 53 -10.184 5.831 -11.207 1.00 23.41 C ATOM 796 CG LYS A 53 -10.936 7.109 -11.655 1.00 3.20 C ATOM 797 CD LYS A 53 -10.451 8.388 -10.931 1.00 20.14 C ATOM 798 CE LYS A 53 -8.946 8.660 -11.122 1.00 64.42 C ATOM 799 NZ LYS A 53 -8.553 8.749 -12.557 1.00 43.33 N ATOM 0 H LYS A 53 -12.411 4.818 -10.795 1.00 3.51 H new ATOM 0 HA LYS A 53 -10.669 4.680 -12.983 1.00 24.04 H new ATOM 0 HB2 LYS A 53 -10.302 5.715 -10.130 1.00 23.41 H new ATOM 0 HB3 LYS A 53 -9.119 5.967 -11.398 1.00 23.41 H new ATOM 0 HG2 LYS A 53 -10.811 7.238 -12.730 1.00 3.20 H new ATOM 0 HG3 LYS A 53 -12.003 6.978 -11.472 1.00 3.20 H new ATOM 0 HD2 LYS A 53 -11.018 9.243 -11.299 1.00 20.14 H new ATOM 0 HD3 LYS A 53 -10.665 8.298 -9.866 1.00 20.14 H new ATOM 0 HE2 LYS A 53 -8.683 9.591 -10.620 1.00 64.42 H new ATOM 0 HE3 LYS A 53 -8.374 7.866 -10.642 1.00 64.42 H new ATOM 0 HZ1 LYS A 53 -7.555 9.033 -12.627 1.00 43.33 H new ATOM 0 HZ2 LYS A 53 -8.682 7.822 -13.010 1.00 43.33 H new ATOM 0 HZ3 LYS A 53 -9.148 9.455 -13.037 1.00 43.33 H new ATOM 813 N VAL A 54 -9.654 2.893 -10.357 1.00 52.14 N ATOM 814 CA VAL A 54 -8.683 1.884 -9.886 1.00 14.44 C ATOM 815 C VAL A 54 -8.814 0.562 -10.691 1.00 30.34 C ATOM 816 O VAL A 54 -7.804 -0.030 -11.101 1.00 53.41 O ATOM 817 CB VAL A 54 -8.842 1.638 -8.335 1.00 21.14 C ATOM 818 CG1 VAL A 54 -7.870 0.558 -7.813 1.00 71.41 C ATOM 819 CG2 VAL A 54 -8.646 2.959 -7.550 1.00 23.44 C ATOM 0 H VAL A 54 -10.314 3.192 -9.640 1.00 52.14 H new ATOM 0 HA VAL A 54 -7.679 2.270 -10.060 1.00 14.44 H new ATOM 0 HB VAL A 54 -9.856 1.272 -8.172 1.00 21.14 H new ATOM 0 HG11 VAL A 54 -8.017 0.424 -6.741 1.00 71.41 H new ATOM 0 HG12 VAL A 54 -8.063 -0.384 -8.326 1.00 71.41 H new ATOM 0 HG13 VAL A 54 -6.843 0.871 -8.002 1.00 71.41 H new ATOM 0 HG21 VAL A 54 -8.760 2.768 -6.483 1.00 23.44 H new ATOM 0 HG22 VAL A 54 -7.648 3.353 -7.744 1.00 23.44 H new ATOM 0 HG23 VAL A 54 -9.392 3.686 -7.870 1.00 23.44 H new ATOM 829 N LEU A 55 -10.070 0.138 -10.953 1.00 42.10 N ATOM 830 CA LEU A 55 -10.355 -1.063 -11.768 1.00 63.31 C ATOM 831 C LEU A 55 -10.135 -0.818 -13.285 1.00 40.14 C ATOM 832 O LEU A 55 -9.825 -1.762 -14.021 1.00 1.23 O ATOM 833 CB LEU A 55 -11.793 -1.593 -11.511 1.00 22.30 C ATOM 834 CG LEU A 55 -12.097 -2.148 -10.077 1.00 74.02 C ATOM 835 CD1 LEU A 55 -13.502 -2.794 -10.027 1.00 53.23 C ATOM 836 CD2 LEU A 55 -11.006 -3.139 -9.596 1.00 42.03 C ATOM 0 H LEU A 55 -10.905 0.612 -10.610 1.00 42.10 H new ATOM 0 HA LEU A 55 -9.640 -1.823 -11.453 1.00 63.31 H new ATOM 0 HB2 LEU A 55 -12.495 -0.785 -11.718 1.00 22.30 H new ATOM 0 HB3 LEU A 55 -11.997 -2.385 -12.232 1.00 22.30 H new ATOM 0 HG LEU A 55 -12.084 -1.303 -9.389 1.00 74.02 H new ATOM 0 HD11 LEU A 55 -13.693 -3.173 -9.023 1.00 53.23 H new ATOM 0 HD12 LEU A 55 -14.255 -2.048 -10.283 1.00 53.23 H new ATOM 0 HD13 LEU A 55 -13.550 -3.617 -10.740 1.00 53.23 H new ATOM 0 HD21 LEU A 55 -11.256 -3.499 -8.598 1.00 42.03 H new ATOM 0 HD22 LEU A 55 -10.952 -3.983 -10.284 1.00 42.03 H new ATOM 0 HD23 LEU A 55 -10.041 -2.632 -9.568 1.00 42.03 H new ATOM 848 N ASP A 56 -10.311 0.441 -13.743 1.00 31.23 N ATOM 849 CA ASP A 56 -10.173 0.813 -15.180 1.00 63.54 C ATOM 850 C ASP A 56 -8.694 0.806 -15.605 1.00 61.03 C ATOM 851 O ASP A 56 -8.363 0.468 -16.749 1.00 74.41 O ATOM 852 CB ASP A 56 -10.829 2.195 -15.470 1.00 11.53 C ATOM 853 CG ASP A 56 -10.883 2.565 -16.968 1.00 30.52 C ATOM 854 OD1 ASP A 56 -11.317 1.717 -17.788 1.00 23.31 O ATOM 855 OD2 ASP A 56 -10.531 3.707 -17.337 1.00 61.02 O ATOM 0 H ASP A 56 -10.551 1.226 -13.138 1.00 31.23 H new ATOM 0 HA ASP A 56 -10.701 0.065 -15.772 1.00 63.54 H new ATOM 0 HB2 ASP A 56 -11.843 2.195 -15.070 1.00 11.53 H new ATOM 0 HB3 ASP A 56 -10.276 2.967 -14.936 1.00 11.53 H new ATOM 860 N TYR A 57 -7.810 1.164 -14.655 1.00 34.34 N ATOM 861 CA TYR A 57 -6.350 1.031 -14.812 1.00 31.03 C ATOM 862 C TYR A 57 -5.977 -0.454 -14.973 1.00 75.44 C ATOM 863 O TYR A 57 -5.118 -0.810 -15.791 1.00 22.11 O ATOM 864 CB TYR A 57 -5.613 1.621 -13.580 1.00 23.20 C ATOM 865 CG TYR A 57 -4.077 1.561 -13.671 1.00 3.33 C ATOM 866 CD1 TYR A 57 -3.359 2.548 -14.351 1.00 73.03 C ATOM 867 CD2 TYR A 57 -3.347 0.504 -13.100 1.00 53.31 C ATOM 868 CE1 TYR A 57 -1.985 2.486 -14.456 1.00 61.04 C ATOM 869 CE2 TYR A 57 -1.969 0.445 -13.202 1.00 24.43 C ATOM 870 CZ TYR A 57 -1.295 1.435 -13.884 1.00 53.14 C ATOM 871 OH TYR A 57 0.075 1.362 -14.017 1.00 35.14 O ATOM 0 H TYR A 57 -8.089 1.554 -13.755 1.00 34.34 H new ATOM 0 HA TYR A 57 -6.045 1.583 -15.701 1.00 31.03 H new ATOM 0 HB2 TYR A 57 -5.917 2.660 -13.453 1.00 23.20 H new ATOM 0 HB3 TYR A 57 -5.934 1.083 -12.688 1.00 23.20 H new ATOM 0 HD1 TYR A 57 -3.889 3.374 -14.802 1.00 73.03 H new ATOM 0 HD2 TYR A 57 -3.873 -0.277 -12.571 1.00 53.31 H new ATOM 0 HE1 TYR A 57 -1.449 3.259 -14.986 1.00 61.04 H new ATOM 0 HE2 TYR A 57 -1.425 -0.371 -12.750 1.00 24.43 H new ATOM 0 HH TYR A 57 0.406 0.563 -13.556 1.00 35.14 H new ATOM 881 N CYS A 58 -6.633 -1.300 -14.159 1.00 13.22 N ATOM 882 CA CYS A 58 -6.451 -2.756 -14.187 1.00 71.32 C ATOM 883 C CYS A 58 -6.913 -3.354 -15.540 1.00 53.12 C ATOM 884 O CYS A 58 -6.293 -4.294 -16.043 1.00 60.33 O ATOM 885 CB CYS A 58 -7.195 -3.405 -12.993 1.00 50.04 C ATOM 886 SG CYS A 58 -6.603 -2.863 -11.374 1.00 0.43 S ATOM 0 H CYS A 58 -7.307 -0.988 -13.460 1.00 13.22 H new ATOM 0 HA CYS A 58 -5.388 -2.977 -14.089 1.00 71.32 H new ATOM 0 HB2 CYS A 58 -8.258 -3.178 -13.074 1.00 50.04 H new ATOM 0 HB3 CYS A 58 -7.094 -4.488 -13.061 1.00 50.04 H new ATOM 0 HG CYS A 58 -7.042 -1.664 -11.131 1.00 0.43 H new ATOM 892 N ARG A 59 -7.992 -2.779 -16.126 1.00 34.13 N ATOM 893 CA ARG A 59 -8.486 -3.155 -17.477 1.00 43.14 C ATOM 894 C ARG A 59 -7.420 -2.849 -18.543 1.00 1.32 C ATOM 895 O ARG A 59 -7.157 -3.668 -19.433 1.00 12.12 O ATOM 896 CB ARG A 59 -9.782 -2.375 -17.836 1.00 12.34 C ATOM 897 CG ARG A 59 -11.003 -2.651 -16.935 1.00 40.01 C ATOM 898 CD ARG A 59 -12.191 -1.734 -17.291 1.00 33.14 C ATOM 899 NE ARG A 59 -13.373 -1.967 -16.443 1.00 43.10 N ATOM 900 CZ ARG A 59 -14.575 -1.399 -16.643 1.00 55.33 C ATOM 901 NH1 ARG A 59 -14.773 -0.550 -17.656 1.00 13.04 N ATOM 902 NH2 ARG A 59 -15.582 -1.687 -15.827 1.00 45.31 N ATOM 0 H ARG A 59 -8.543 -2.046 -15.680 1.00 34.13 H new ATOM 0 HA ARG A 59 -8.701 -4.224 -17.460 1.00 43.14 H new ATOM 0 HB2 ARG A 59 -9.563 -1.308 -17.801 1.00 12.34 H new ATOM 0 HB3 ARG A 59 -10.053 -2.612 -18.865 1.00 12.34 H new ATOM 0 HG2 ARG A 59 -11.304 -3.694 -17.038 1.00 40.01 H new ATOM 0 HG3 ARG A 59 -10.727 -2.501 -15.891 1.00 40.01 H new ATOM 0 HD2 ARG A 59 -11.881 -0.693 -17.195 1.00 33.14 H new ATOM 0 HD3 ARG A 59 -12.463 -1.890 -18.335 1.00 33.14 H new ATOM 0 HE ARG A 59 -13.273 -2.602 -15.651 1.00 43.10 H new ATOM 0 HH11 ARG A 59 -14.006 -0.325 -18.290 1.00 13.04 H new ATOM 0 HH12 ARG A 59 -15.691 -0.127 -17.795 1.00 13.04 H new ATOM 0 HH21 ARG A 59 -15.442 -2.336 -15.053 1.00 45.31 H new ATOM 0 HH22 ARG A 59 -16.496 -1.259 -15.974 1.00 45.31 H new ATOM 916 N HIS A 60 -6.817 -1.652 -18.421 1.00 64.15 N ATOM 917 CA HIS A 60 -5.756 -1.185 -19.324 1.00 0.33 C ATOM 918 C HIS A 60 -4.543 -2.125 -19.288 1.00 13.00 C ATOM 919 O HIS A 60 -4.041 -2.536 -20.334 1.00 35.12 O ATOM 920 CB HIS A 60 -5.324 0.261 -18.969 1.00 22.41 C ATOM 921 CG HIS A 60 -4.145 0.754 -19.777 1.00 2.32 C ATOM 922 ND1 HIS A 60 -2.874 0.868 -19.261 1.00 33.24 N ATOM 923 CD2 HIS A 60 -4.048 1.114 -21.078 1.00 35.40 C ATOM 924 CE1 HIS A 60 -2.052 1.270 -20.205 1.00 24.43 C ATOM 925 NE2 HIS A 60 -2.737 1.424 -21.315 1.00 63.21 N ATOM 0 H HIS A 60 -7.055 -0.982 -17.690 1.00 64.15 H new ATOM 0 HA HIS A 60 -6.161 -1.188 -20.336 1.00 0.33 H new ATOM 0 HB2 HIS A 60 -6.168 0.933 -19.126 1.00 22.41 H new ATOM 0 HB3 HIS A 60 -5.073 0.307 -17.909 1.00 22.41 H new ATOM 0 HD2 HIS A 60 -4.855 1.150 -21.795 1.00 35.40 H new ATOM 0 HE1 HIS A 60 -0.993 1.444 -20.088 1.00 24.43 H new ATOM 0 HE2 HIS A 60 -2.353 1.726 -22.210 1.00 63.21 H new ATOM 934 N HIS A 61 -4.104 -2.475 -18.069 1.00 30.31 N ATOM 935 CA HIS A 61 -2.893 -3.290 -17.863 1.00 72.33 C ATOM 936 C HIS A 61 -3.169 -4.783 -18.157 1.00 33.22 C ATOM 937 O HIS A 61 -2.231 -5.569 -18.350 1.00 44.21 O ATOM 938 CB HIS A 61 -2.354 -3.093 -16.425 1.00 31.30 C ATOM 939 CG HIS A 61 -0.940 -3.590 -16.247 1.00 74.22 C ATOM 940 ND1 HIS A 61 -0.619 -4.821 -15.713 1.00 71.15 N ATOM 941 CD2 HIS A 61 0.243 -3.012 -16.578 1.00 31.24 C ATOM 942 CE1 HIS A 61 0.689 -4.974 -15.734 1.00 51.02 C ATOM 943 NE2 HIS A 61 1.236 -3.897 -16.253 1.00 65.02 N ATOM 0 H HIS A 61 -4.573 -2.205 -17.204 1.00 30.31 H new ATOM 0 HA HIS A 61 -2.129 -2.956 -18.565 1.00 72.33 H new ATOM 0 HB2 HIS A 61 -2.395 -2.034 -16.171 1.00 31.30 H new ATOM 0 HB3 HIS A 61 -3.006 -3.614 -15.725 1.00 31.30 H new ATOM 0 HD2 HIS A 61 0.376 -2.034 -17.017 1.00 31.24 H new ATOM 0 HE1 HIS A 61 1.225 -5.843 -15.382 1.00 51.02 H new ATOM 0 HE2 HIS A 61 2.235 -3.746 -16.391 1.00 65.02 H new ATOM 952 N HIS A 62 -4.460 -5.154 -18.169 1.00 52.01 N ATOM 953 CA HIS A 62 -4.926 -6.498 -18.562 1.00 65.42 C ATOM 954 C HIS A 62 -4.720 -6.730 -20.064 1.00 50.01 C ATOM 955 O HIS A 62 -4.196 -7.766 -20.486 1.00 33.31 O ATOM 956 CB HIS A 62 -6.433 -6.644 -18.215 1.00 43.34 C ATOM 957 CG HIS A 62 -7.117 -7.874 -18.774 1.00 22.33 C ATOM 958 ND1 HIS A 62 -8.196 -7.827 -19.630 1.00 20.23 N ATOM 959 CD2 HIS A 62 -6.894 -9.182 -18.552 1.00 55.10 C ATOM 960 CE1 HIS A 62 -8.607 -9.053 -19.879 1.00 42.51 C ATOM 961 NE2 HIS A 62 -7.835 -9.892 -19.242 1.00 71.35 N ATOM 0 H HIS A 62 -5.218 -4.525 -17.904 1.00 52.01 H new ATOM 0 HA HIS A 62 -4.345 -7.241 -18.015 1.00 65.42 H new ATOM 0 HB2 HIS A 62 -6.538 -6.653 -17.130 1.00 43.34 H new ATOM 0 HB3 HIS A 62 -6.958 -5.761 -18.579 1.00 43.34 H new ATOM 0 HD2 HIS A 62 -6.109 -9.597 -17.937 1.00 55.10 H new ATOM 0 HE1 HIS A 62 -9.444 -9.321 -20.506 1.00 42.51 H new ATOM 0 HE2 HIS A 62 -7.921 -10.908 -19.257 1.00 71.35 H new ATOM 970 N GLN A 63 -5.157 -5.745 -20.854 1.00 55.50 N ATOM 971 CA GLN A 63 -5.194 -5.841 -22.322 1.00 22.23 C ATOM 972 C GLN A 63 -3.881 -5.319 -22.941 1.00 60.53 C ATOM 973 O GLN A 63 -3.560 -5.603 -24.103 1.00 72.35 O ATOM 974 CB GLN A 63 -6.425 -5.055 -22.840 1.00 13.35 C ATOM 975 CG GLN A 63 -7.752 -5.450 -22.148 1.00 32.11 C ATOM 976 CD GLN A 63 -8.972 -4.716 -22.717 1.00 22.43 C ATOM 977 OE1 GLN A 63 -9.337 -3.630 -22.259 1.00 23.13 O ATOM 978 NE2 GLN A 63 -9.607 -5.303 -23.715 1.00 64.34 N ATOM 0 H GLN A 63 -5.497 -4.853 -20.495 1.00 55.50 H new ATOM 0 HA GLN A 63 -5.288 -6.885 -22.622 1.00 22.23 H new ATOM 0 HB2 GLN A 63 -6.252 -3.989 -22.693 1.00 13.35 H new ATOM 0 HB3 GLN A 63 -6.523 -5.217 -23.913 1.00 13.35 H new ATOM 0 HG2 GLN A 63 -7.902 -6.525 -22.251 1.00 32.11 H new ATOM 0 HG3 GLN A 63 -7.675 -5.240 -21.081 1.00 32.11 H new ATOM 0 HE21 GLN A 63 -9.279 -6.201 -24.070 1.00 64.34 H new ATOM 0 HE22 GLN A 63 -10.425 -4.858 -24.131 1.00 64.34 H new ATOM 987 N HIS A 64 -3.137 -4.536 -22.147 1.00 73.15 N ATOM 988 CA HIS A 64 -1.811 -4.020 -22.498 1.00 41.31 C ATOM 989 C HIS A 64 -0.871 -4.286 -21.306 1.00 22.34 C ATOM 990 O HIS A 64 -0.790 -3.455 -20.386 1.00 72.43 O ATOM 991 CB HIS A 64 -1.870 -2.498 -22.828 1.00 11.12 C ATOM 992 CG HIS A 64 -2.704 -2.155 -24.033 1.00 54.30 C ATOM 993 ND1 HIS A 64 -2.168 -2.010 -25.291 1.00 12.04 N ATOM 994 CD2 HIS A 64 -4.035 -1.910 -24.166 1.00 34.14 C ATOM 995 CE1 HIS A 64 -3.123 -1.701 -26.142 1.00 21.41 C ATOM 996 NE2 HIS A 64 -4.261 -1.632 -25.486 1.00 35.03 N ATOM 0 H HIS A 64 -3.450 -4.239 -21.223 1.00 73.15 H new ATOM 0 HA HIS A 64 -1.440 -4.524 -23.391 1.00 41.31 H new ATOM 0 HB2 HIS A 64 -2.267 -1.966 -21.963 1.00 11.12 H new ATOM 0 HB3 HIS A 64 -0.855 -2.134 -22.988 1.00 11.12 H new ATOM 0 HD2 HIS A 64 -4.774 -1.931 -23.378 1.00 34.14 H new ATOM 0 HE1 HIS A 64 -2.994 -1.532 -27.201 1.00 21.41 H new ATOM 0 HE2 HIS A 64 -5.167 -1.407 -25.896 1.00 35.03 H new ATOM 1005 N PRO A 65 -0.210 -5.487 -21.249 1.00 14.34 N ATOM 1006 CA PRO A 65 0.764 -5.799 -20.183 1.00 31.33 C ATOM 1007 C PRO A 65 2.012 -4.896 -20.300 1.00 45.15 C ATOM 1008 O PRO A 65 2.967 -5.211 -21.020 1.00 50.04 O ATOM 1009 CB PRO A 65 1.084 -7.305 -20.405 1.00 14.35 C ATOM 1010 CG PRO A 65 0.760 -7.567 -21.848 1.00 61.11 C ATOM 1011 CD PRO A 65 -0.377 -6.628 -22.200 1.00 33.11 C ATOM 0 HA PRO A 65 0.385 -5.615 -19.178 1.00 31.33 H new ATOM 0 HB2 PRO A 65 2.131 -7.521 -20.191 1.00 14.35 H new ATOM 0 HB3 PRO A 65 0.487 -7.936 -19.746 1.00 14.35 H new ATOM 0 HG2 PRO A 65 1.628 -7.384 -22.482 1.00 61.11 H new ATOM 0 HG3 PRO A 65 0.468 -8.606 -22.000 1.00 61.11 H new ATOM 0 HD2 PRO A 65 -0.315 -6.296 -23.236 1.00 33.11 H new ATOM 0 HD3 PRO A 65 -1.346 -7.111 -22.078 1.00 33.11 H new ATOM 1019 N GLY A 66 1.940 -3.733 -19.627 1.00 3.41 N ATOM 1020 CA GLY A 66 2.990 -2.715 -19.688 1.00 62.23 C ATOM 1021 C GLY A 66 4.178 -2.999 -18.779 1.00 74.21 C ATOM 1022 O GLY A 66 4.224 -4.029 -18.092 1.00 60.22 O ATOM 0 H GLY A 66 1.153 -3.479 -19.030 1.00 3.41 H new ATOM 0 HA2 GLY A 66 3.343 -2.632 -20.716 1.00 62.23 H new ATOM 0 HA3 GLY A 66 2.562 -1.749 -19.419 1.00 62.23 H new ATOM 1026 N GLY A 67 5.133 -2.056 -18.772 1.00 44.13 N ATOM 1027 CA GLY A 67 6.397 -2.191 -18.041 1.00 72.22 C ATOM 1028 C GLY A 67 7.572 -1.810 -18.924 1.00 41.14 C ATOM 1029 O GLY A 67 8.521 -1.156 -18.469 1.00 22.24 O ATOM 0 H GLY A 67 5.047 -1.174 -19.277 1.00 44.13 H new ATOM 0 HA2 GLY A 67 6.380 -1.556 -17.156 1.00 72.22 H new ATOM 0 HA3 GLY A 67 6.514 -3.218 -17.694 1.00 72.22 H new ATOM 1033 N SER A 68 7.503 -2.242 -20.205 1.00 14.32 N ATOM 1034 CA SER A 68 8.476 -1.857 -21.239 1.00 1.04 C ATOM 1035 C SER A 68 8.197 -0.406 -21.680 1.00 50.04 C ATOM 1036 O SER A 68 7.467 -0.149 -22.650 1.00 54.31 O ATOM 1037 CB SER A 68 8.414 -2.843 -22.434 1.00 22.45 C ATOM 1038 OG SER A 68 8.621 -4.185 -22.006 1.00 10.33 O ATOM 0 H SER A 68 6.771 -2.866 -20.544 1.00 14.32 H new ATOM 0 HA SER A 68 9.487 -1.907 -20.834 1.00 1.04 H new ATOM 0 HB2 SER A 68 7.445 -2.761 -22.926 1.00 22.45 H new ATOM 0 HB3 SER A 68 9.170 -2.573 -23.171 1.00 22.45 H new ATOM 0 HG SER A 68 8.575 -4.786 -22.779 1.00 10.33 H new ATOM 1044 N GLY A 69 8.751 0.528 -20.905 1.00 34.31 N ATOM 1045 CA GLY A 69 8.526 1.955 -21.080 1.00 5.21 C ATOM 1046 C GLY A 69 9.010 2.705 -19.857 1.00 23.42 C ATOM 1047 O GLY A 69 8.226 3.396 -19.190 1.00 24.45 O ATOM 0 H GLY A 69 9.376 0.307 -20.130 1.00 34.31 H new ATOM 0 HA2 GLY A 69 9.052 2.309 -21.967 1.00 5.21 H new ATOM 0 HA3 GLY A 69 7.465 2.148 -21.240 1.00 5.21 H new ATOM 1051 N LEU A 70 10.309 2.517 -19.538 1.00 32.52 N ATOM 1052 CA LEU A 70 10.960 3.132 -18.366 1.00 2.45 C ATOM 1053 C LEU A 70 10.866 4.669 -18.436 1.00 65.20 C ATOM 1054 O LEU A 70 11.248 5.278 -19.440 1.00 1.25 O ATOM 1055 CB LEU A 70 12.433 2.603 -18.223 1.00 25.44 C ATOM 1056 CG LEU A 70 13.396 2.722 -19.477 1.00 3.20 C ATOM 1057 CD1 LEU A 70 14.154 4.073 -19.550 1.00 53.52 C ATOM 1058 CD2 LEU A 70 14.389 1.534 -19.544 1.00 44.15 C ATOM 0 H LEU A 70 10.936 1.932 -20.090 1.00 32.52 H new ATOM 0 HA LEU A 70 10.433 2.837 -17.459 1.00 2.45 H new ATOM 0 HB2 LEU A 70 12.899 3.135 -17.394 1.00 25.44 H new ATOM 0 HB3 LEU A 70 12.383 1.552 -17.940 1.00 25.44 H new ATOM 0 HG LEU A 70 12.745 2.685 -20.350 1.00 3.20 H new ATOM 0 HD11 LEU A 70 14.794 4.084 -20.432 1.00 53.52 H new ATOM 0 HD12 LEU A 70 13.436 4.890 -19.612 1.00 53.52 H new ATOM 0 HD13 LEU A 70 14.766 4.195 -18.657 1.00 53.52 H new ATOM 0 HD21 LEU A 70 15.034 1.648 -20.415 1.00 44.15 H new ATOM 0 HD22 LEU A 70 14.999 1.518 -18.641 1.00 44.15 H new ATOM 0 HD23 LEU A 70 13.834 0.599 -19.623 1.00 44.15 H new ATOM 1070 N ASP A 71 10.210 5.249 -17.409 1.00 21.13 N ATOM 1071 CA ASP A 71 10.023 6.712 -17.234 1.00 12.44 C ATOM 1072 C ASP A 71 9.082 7.335 -18.318 1.00 63.35 C ATOM 1073 O ASP A 71 8.790 8.538 -18.294 1.00 5.40 O ATOM 1074 CB ASP A 71 11.413 7.428 -17.154 1.00 32.42 C ATOM 1075 CG ASP A 71 11.341 8.908 -16.736 1.00 62.54 C ATOM 1076 OD1 ASP A 71 10.923 9.191 -15.595 1.00 2.21 O ATOM 1077 OD2 ASP A 71 11.723 9.795 -17.529 1.00 14.21 O ATOM 0 H ASP A 71 9.784 4.704 -16.659 1.00 21.13 H new ATOM 0 HA ASP A 71 9.509 6.874 -16.287 1.00 12.44 H new ATOM 0 HB2 ASP A 71 12.044 6.893 -16.444 1.00 32.42 H new ATOM 0 HB3 ASP A 71 11.900 7.361 -18.127 1.00 32.42 H new ATOM 1082 N ASP A 72 8.558 6.488 -19.230 1.00 51.15 N ATOM 1083 CA ASP A 72 7.721 6.913 -20.366 1.00 1.20 C ATOM 1084 C ASP A 72 6.255 6.537 -20.090 1.00 21.05 C ATOM 1085 O ASP A 72 5.819 5.412 -20.376 1.00 63.12 O ATOM 1086 CB ASP A 72 8.228 6.257 -21.681 1.00 43.31 C ATOM 1087 CG ASP A 72 7.432 6.702 -22.926 1.00 72.33 C ATOM 1088 OD1 ASP A 72 6.691 5.886 -23.514 1.00 11.02 O ATOM 1089 OD2 ASP A 72 7.542 7.886 -23.318 1.00 41.22 O ATOM 0 H ASP A 72 8.708 5.480 -19.195 1.00 51.15 H new ATOM 0 HA ASP A 72 7.788 7.995 -20.484 1.00 1.20 H new ATOM 0 HB2 ASP A 72 9.280 6.506 -21.822 1.00 43.31 H new ATOM 0 HB3 ASP A 72 8.167 5.173 -21.586 1.00 43.31 H new ATOM 1094 N ILE A 73 5.523 7.469 -19.468 1.00 65.31 N ATOM 1095 CA ILE A 73 4.098 7.294 -19.133 1.00 53.32 C ATOM 1096 C ILE A 73 3.231 7.835 -20.298 1.00 1.45 C ATOM 1097 O ILE A 73 3.333 9.019 -20.621 1.00 51.12 O ATOM 1098 CB ILE A 73 3.729 8.058 -17.796 1.00 11.12 C ATOM 1099 CG1 ILE A 73 4.658 7.610 -16.622 1.00 34.04 C ATOM 1100 CG2 ILE A 73 2.236 7.860 -17.424 1.00 62.13 C ATOM 1101 CD1 ILE A 73 4.440 8.357 -15.311 1.00 73.41 C ATOM 0 H ILE A 73 5.901 8.371 -19.180 1.00 65.31 H new ATOM 0 HA ILE A 73 3.903 6.232 -18.983 1.00 53.32 H new ATOM 0 HB ILE A 73 3.889 9.122 -17.970 1.00 11.12 H new ATOM 0 HG12 ILE A 73 4.509 6.545 -16.446 1.00 34.04 H new ATOM 0 HG13 ILE A 73 5.696 7.740 -16.929 1.00 34.04 H new ATOM 0 HG21 ILE A 73 2.017 8.397 -16.501 1.00 62.13 H new ATOM 0 HG22 ILE A 73 1.607 8.245 -18.227 1.00 62.13 H new ATOM 0 HG23 ILE A 73 2.034 6.798 -17.282 1.00 62.13 H new ATOM 0 HD11 ILE A 73 5.129 7.977 -14.557 1.00 73.41 H new ATOM 0 HD12 ILE A 73 4.620 9.421 -15.464 1.00 73.41 H new ATOM 0 HD13 ILE A 73 3.414 8.208 -14.973 1.00 73.41 H new ATOM 1113 N PRO A 74 2.380 6.985 -20.960 1.00 75.22 N ATOM 1114 CA PRO A 74 1.484 7.444 -22.060 1.00 5.11 C ATOM 1115 C PRO A 74 0.388 8.426 -21.540 1.00 61.44 C ATOM 1116 O PRO A 74 0.012 8.344 -20.365 1.00 55.23 O ATOM 1117 CB PRO A 74 0.877 6.120 -22.603 1.00 64.31 C ATOM 1118 CG PRO A 74 0.975 5.151 -21.468 1.00 73.14 C ATOM 1119 CD PRO A 74 2.218 5.528 -20.692 1.00 33.03 C ATOM 0 HA PRO A 74 2.009 8.010 -22.830 1.00 5.11 H new ATOM 0 HB2 PRO A 74 -0.158 6.260 -22.914 1.00 64.31 H new ATOM 0 HB3 PRO A 74 1.426 5.763 -23.474 1.00 64.31 H new ATOM 0 HG2 PRO A 74 0.090 5.204 -20.834 1.00 73.14 H new ATOM 0 HG3 PRO A 74 1.042 4.127 -21.836 1.00 73.14 H new ATOM 0 HD2 PRO A 74 2.100 5.328 -19.627 1.00 33.03 H new ATOM 0 HD3 PRO A 74 3.086 4.961 -21.028 1.00 33.03 H new ATOM 1127 N PRO A 75 -0.119 9.372 -22.412 1.00 5.34 N ATOM 1128 CA PRO A 75 -1.132 10.409 -22.037 1.00 14.13 C ATOM 1129 C PRO A 75 -2.333 9.895 -21.205 1.00 64.00 C ATOM 1130 O PRO A 75 -2.784 10.587 -20.299 1.00 50.25 O ATOM 1131 CB PRO A 75 -1.607 10.937 -23.405 1.00 34.22 C ATOM 1132 CG PRO A 75 -0.404 10.803 -24.288 1.00 3.01 C ATOM 1133 CD PRO A 75 0.285 9.529 -23.842 1.00 13.33 C ATOM 0 HA PRO A 75 -0.686 11.155 -21.379 1.00 14.13 H new ATOM 0 HB2 PRO A 75 -2.447 10.357 -23.786 1.00 34.22 H new ATOM 0 HB3 PRO A 75 -1.939 11.973 -23.339 1.00 34.22 H new ATOM 0 HG2 PRO A 75 -0.692 10.747 -25.338 1.00 3.01 H new ATOM 0 HG3 PRO A 75 0.257 11.664 -24.184 1.00 3.01 H new ATOM 0 HD2 PRO A 75 -0.032 8.675 -24.441 1.00 13.33 H new ATOM 0 HD3 PRO A 75 1.368 9.606 -23.943 1.00 13.33 H new ATOM 1141 N TYR A 76 -2.841 8.681 -21.518 1.00 34.04 N ATOM 1142 CA TYR A 76 -3.968 8.077 -20.763 1.00 33.14 C ATOM 1143 C TYR A 76 -3.599 7.895 -19.277 1.00 52.45 C ATOM 1144 O TYR A 76 -4.269 8.448 -18.403 1.00 30.54 O ATOM 1145 CB TYR A 76 -4.422 6.717 -21.386 1.00 53.12 C ATOM 1146 CG TYR A 76 -5.320 5.865 -20.456 1.00 50.41 C ATOM 1147 CD1 TYR A 76 -4.851 4.679 -19.876 1.00 60.02 C ATOM 1148 CD2 TYR A 76 -6.612 6.281 -20.110 1.00 10.13 C ATOM 1149 CE1 TYR A 76 -5.623 3.952 -18.997 1.00 24.35 C ATOM 1150 CE2 TYR A 76 -7.392 5.540 -19.235 1.00 31.00 C ATOM 1151 CZ TYR A 76 -6.888 4.377 -18.679 1.00 64.24 C ATOM 1152 OH TYR A 76 -7.642 3.647 -17.782 1.00 42.41 O ATOM 0 H TYR A 76 -2.493 8.102 -22.282 1.00 34.04 H new ATOM 0 HA TYR A 76 -4.809 8.767 -20.830 1.00 33.14 H new ATOM 0 HB2 TYR A 76 -4.961 6.916 -22.312 1.00 53.12 H new ATOM 0 HB3 TYR A 76 -3.538 6.137 -21.650 1.00 53.12 H new ATOM 0 HD1 TYR A 76 -3.861 4.326 -20.124 1.00 60.02 H new ATOM 0 HD2 TYR A 76 -7.007 7.194 -20.531 1.00 10.13 H new ATOM 0 HE1 TYR A 76 -5.232 3.046 -18.558 1.00 24.35 H new ATOM 0 HE2 TYR A 76 -8.390 5.870 -18.988 1.00 31.00 H new ATOM 0 HH TYR A 76 -8.584 3.904 -17.861 1.00 42.41 H new ATOM 1162 N ASP A 77 -2.511 7.147 -19.027 1.00 14.54 N ATOM 1163 CA ASP A 77 -2.042 6.805 -17.668 1.00 55.11 C ATOM 1164 C ASP A 77 -1.556 8.060 -16.919 1.00 11.52 C ATOM 1165 O ASP A 77 -1.624 8.125 -15.686 1.00 64.32 O ATOM 1166 CB ASP A 77 -0.912 5.737 -17.740 1.00 1.21 C ATOM 1167 CG ASP A 77 -1.376 4.396 -18.344 1.00 52.13 C ATOM 1168 OD1 ASP A 77 -1.507 3.390 -17.604 1.00 21.05 O ATOM 1169 OD2 ASP A 77 -1.623 4.350 -19.569 1.00 21.42 O ATOM 0 H ASP A 77 -1.926 6.758 -19.766 1.00 14.54 H new ATOM 0 HA ASP A 77 -2.881 6.388 -17.112 1.00 55.11 H new ATOM 0 HB2 ASP A 77 -0.088 6.130 -18.336 1.00 1.21 H new ATOM 0 HB3 ASP A 77 -0.524 5.561 -16.737 1.00 1.21 H new ATOM 1174 N ARG A 78 -1.081 9.057 -17.689 1.00 72.43 N ATOM 1175 CA ARG A 78 -0.582 10.325 -17.145 1.00 41.30 C ATOM 1176 C ARG A 78 -1.744 11.151 -16.565 1.00 2.21 C ATOM 1177 O ARG A 78 -1.739 11.472 -15.381 1.00 33.24 O ATOM 1178 CB ARG A 78 0.151 11.115 -18.256 1.00 31.33 C ATOM 1179 CG ARG A 78 0.863 12.394 -17.777 1.00 64.12 C ATOM 1180 CD ARG A 78 1.473 13.185 -18.937 1.00 32.04 C ATOM 1181 NE ARG A 78 2.420 12.378 -19.734 1.00 23.22 N ATOM 1182 CZ ARG A 78 2.474 12.349 -21.077 1.00 12.12 C ATOM 1183 NH1 ARG A 78 1.642 13.080 -21.819 1.00 45.12 N ATOM 1184 NH2 ARG A 78 3.364 11.583 -21.673 1.00 50.44 N ATOM 0 H ARG A 78 -1.034 9.002 -18.706 1.00 72.43 H new ATOM 0 HA ARG A 78 0.122 10.118 -16.339 1.00 41.30 H new ATOM 0 HB2 ARG A 78 0.886 10.460 -18.723 1.00 31.33 H new ATOM 0 HB3 ARG A 78 -0.571 11.385 -19.027 1.00 31.33 H new ATOM 0 HG2 ARG A 78 0.153 13.025 -17.243 1.00 64.12 H new ATOM 0 HG3 ARG A 78 1.648 12.128 -17.069 1.00 64.12 H new ATOM 0 HD2 ARG A 78 0.675 13.548 -19.585 1.00 32.04 H new ATOM 0 HD3 ARG A 78 1.988 14.061 -18.544 1.00 32.04 H new ATOM 0 HE ARG A 78 3.086 11.797 -19.225 1.00 23.22 H new ATOM 0 HH11 ARG A 78 0.947 13.676 -21.369 1.00 45.12 H new ATOM 0 HH12 ARG A 78 1.700 13.043 -22.837 1.00 45.12 H new ATOM 0 HH21 ARG A 78 4.005 11.018 -21.116 1.00 50.44 H new ATOM 0 HH22 ARG A 78 3.412 11.555 -22.691 1.00 50.44 H new ATOM 1198 N ASP A 79 -2.765 11.419 -17.404 1.00 60.13 N ATOM 1199 CA ASP A 79 -3.975 12.189 -17.012 1.00 73.33 C ATOM 1200 C ASP A 79 -4.842 11.407 -16.009 1.00 5.10 C ATOM 1201 O ASP A 79 -5.633 11.998 -15.262 1.00 33.12 O ATOM 1202 CB ASP A 79 -4.821 12.556 -18.262 1.00 25.24 C ATOM 1203 CG ASP A 79 -4.161 13.619 -19.165 1.00 71.25 C ATOM 1204 OD1 ASP A 79 -4.487 14.812 -19.037 1.00 62.10 O ATOM 1205 OD2 ASP A 79 -3.314 13.267 -19.997 1.00 15.43 O ATOM 0 H ASP A 79 -2.779 11.109 -18.376 1.00 60.13 H new ATOM 0 HA ASP A 79 -3.634 13.105 -16.529 1.00 73.33 H new ATOM 0 HB2 ASP A 79 -4.999 11.654 -18.847 1.00 25.24 H new ATOM 0 HB3 ASP A 79 -5.795 12.922 -17.937 1.00 25.24 H new ATOM 1210 N PHE A 80 -4.703 10.071 -16.036 1.00 53.25 N ATOM 1211 CA PHE A 80 -5.366 9.164 -15.091 1.00 34.14 C ATOM 1212 C PHE A 80 -4.900 9.462 -13.654 1.00 44.23 C ATOM 1213 O PHE A 80 -5.722 9.617 -12.741 1.00 54.42 O ATOM 1214 CB PHE A 80 -5.058 7.681 -15.467 1.00 42.14 C ATOM 1215 CG PHE A 80 -5.587 6.668 -14.464 1.00 24.12 C ATOM 1216 CD1 PHE A 80 -4.809 6.262 -13.375 1.00 12.15 C ATOM 1217 CD2 PHE A 80 -6.879 6.174 -14.570 1.00 14.43 C ATOM 1218 CE1 PHE A 80 -5.310 5.412 -12.431 1.00 24.03 C ATOM 1219 CE2 PHE A 80 -7.371 5.307 -13.629 1.00 24.23 C ATOM 1220 CZ PHE A 80 -6.589 4.931 -12.553 1.00 44.22 C ATOM 0 H PHE A 80 -4.122 9.588 -16.721 1.00 53.25 H new ATOM 0 HA PHE A 80 -6.443 9.321 -15.146 1.00 34.14 H new ATOM 0 HB2 PHE A 80 -5.489 7.468 -16.445 1.00 42.14 H new ATOM 0 HB3 PHE A 80 -3.979 7.557 -15.560 1.00 42.14 H new ATOM 0 HD1 PHE A 80 -3.797 6.626 -13.279 1.00 12.15 H new ATOM 0 HD2 PHE A 80 -7.502 6.475 -15.400 1.00 14.43 H new ATOM 0 HE1 PHE A 80 -4.700 5.119 -11.589 1.00 24.03 H new ATOM 0 HE2 PHE A 80 -8.373 4.916 -13.729 1.00 24.23 H new ATOM 0 HZ PHE A 80 -6.985 4.258 -11.807 1.00 44.22 H new ATOM 1230 N CYS A 81 -3.573 9.491 -13.479 1.00 45.15 N ATOM 1231 CA CYS A 81 -2.936 9.659 -12.166 1.00 55.31 C ATOM 1232 C CYS A 81 -2.867 11.142 -11.768 1.00 65.14 C ATOM 1233 O CYS A 81 -2.868 11.468 -10.580 1.00 5.13 O ATOM 1234 CB CYS A 81 -1.532 9.021 -12.194 1.00 12.25 C ATOM 1235 SG CYS A 81 -1.554 7.252 -12.557 1.00 22.44 S ATOM 0 H CYS A 81 -2.908 9.398 -14.247 1.00 45.15 H new ATOM 0 HA CYS A 81 -3.539 9.154 -11.411 1.00 55.31 H new ATOM 0 HB2 CYS A 81 -0.925 9.530 -12.942 1.00 12.25 H new ATOM 0 HB3 CYS A 81 -1.049 9.180 -11.230 1.00 12.25 H new ATOM 0 HG CYS A 81 -1.610 7.074 -13.843 1.00 22.44 H new ATOM 1241 N LYS A 82 -2.836 12.039 -12.773 1.00 64.21 N ATOM 1242 CA LYS A 82 -2.870 13.494 -12.550 1.00 73.42 C ATOM 1243 C LYS A 82 -4.319 13.929 -12.300 1.00 30.42 C ATOM 1244 O LYS A 82 -5.051 14.297 -13.227 1.00 75.41 O ATOM 1245 CB LYS A 82 -2.249 14.269 -13.744 1.00 33.41 C ATOM 1246 CG LYS A 82 -0.725 14.084 -13.910 1.00 14.23 C ATOM 1247 CD LYS A 82 -0.133 14.860 -15.118 1.00 1.42 C ATOM 1248 CE LYS A 82 -0.025 16.385 -14.910 1.00 13.31 C ATOM 1249 NZ LYS A 82 -1.346 17.078 -14.843 1.00 32.04 N ATOM 0 H LYS A 82 -2.787 11.775 -13.757 1.00 64.21 H new ATOM 0 HA LYS A 82 -2.266 13.732 -11.674 1.00 73.42 H new ATOM 0 HB2 LYS A 82 -2.742 13.950 -14.662 1.00 33.41 H new ATOM 0 HB3 LYS A 82 -2.461 15.331 -13.620 1.00 33.41 H new ATOM 0 HG2 LYS A 82 -0.226 14.412 -12.998 1.00 14.23 H new ATOM 0 HG3 LYS A 82 -0.507 13.023 -14.028 1.00 14.23 H new ATOM 0 HD2 LYS A 82 0.859 14.465 -15.336 1.00 1.42 H new ATOM 0 HD3 LYS A 82 -0.752 14.669 -15.995 1.00 1.42 H new ATOM 0 HE2 LYS A 82 0.524 16.579 -13.988 1.00 13.31 H new ATOM 0 HE3 LYS A 82 0.559 16.813 -15.725 1.00 13.31 H new ATOM 0 HZ1 LYS A 82 -1.286 17.989 -15.342 1.00 32.04 H new ATOM 0 HZ2 LYS A 82 -2.072 16.485 -15.292 1.00 32.04 H new ATOM 0 HZ3 LYS A 82 -1.601 17.244 -13.848 1.00 32.04 H new ATOM 1263 N VAL A 83 -4.734 13.804 -11.040 1.00 42.13 N ATOM 1264 CA VAL A 83 -6.071 14.198 -10.563 1.00 43.15 C ATOM 1265 C VAL A 83 -5.928 15.193 -9.403 1.00 10.55 C ATOM 1266 O VAL A 83 -4.802 15.565 -9.035 1.00 3.24 O ATOM 1267 CB VAL A 83 -6.916 12.936 -10.133 1.00 0.54 C ATOM 1268 CG1 VAL A 83 -7.307 12.084 -11.363 1.00 75.21 C ATOM 1269 CG2 VAL A 83 -6.164 12.080 -9.079 1.00 10.41 C ATOM 0 H VAL A 83 -4.143 13.419 -10.303 1.00 42.13 H new ATOM 0 HA VAL A 83 -6.609 14.682 -11.378 1.00 43.15 H new ATOM 0 HB VAL A 83 -7.833 13.298 -9.668 1.00 0.54 H new ATOM 0 HG11 VAL A 83 -7.888 11.221 -11.038 1.00 75.21 H new ATOM 0 HG12 VAL A 83 -7.904 12.686 -12.048 1.00 75.21 H new ATOM 0 HG13 VAL A 83 -6.405 11.743 -11.871 1.00 75.21 H new ATOM 0 HG21 VAL A 83 -6.775 11.220 -8.806 1.00 10.41 H new ATOM 0 HG22 VAL A 83 -5.218 11.735 -9.498 1.00 10.41 H new ATOM 0 HG23 VAL A 83 -5.970 12.683 -8.192 1.00 10.41 H new ATOM 1279 N ASP A 84 -7.070 15.628 -8.842 1.00 1.44 N ATOM 1280 CA ASP A 84 -7.111 16.645 -7.772 1.00 73.54 C ATOM 1281 C ASP A 84 -6.434 16.102 -6.493 1.00 44.41 C ATOM 1282 O ASP A 84 -6.389 14.884 -6.297 1.00 1.55 O ATOM 1283 CB ASP A 84 -8.586 17.069 -7.519 1.00 0.11 C ATOM 1284 CG ASP A 84 -8.751 18.257 -6.553 1.00 62.20 C ATOM 1285 OD1 ASP A 84 -9.679 18.252 -5.717 1.00 24.03 O ATOM 1286 OD2 ASP A 84 -7.950 19.215 -6.629 1.00 3.44 O ATOM 0 H ASP A 84 -7.991 15.286 -9.116 1.00 1.44 H new ATOM 0 HA ASP A 84 -6.554 17.531 -8.078 1.00 73.54 H new ATOM 0 HB2 ASP A 84 -9.046 17.326 -8.473 1.00 0.11 H new ATOM 0 HB3 ASP A 84 -9.134 16.215 -7.121 1.00 0.11 H new ATOM 1291 N GLN A 85 -5.916 17.013 -5.646 1.00 3.13 N ATOM 1292 CA GLN A 85 -5.074 16.663 -4.472 1.00 10.53 C ATOM 1293 C GLN A 85 -5.756 15.644 -3.498 1.00 11.31 C ATOM 1294 O GLN A 85 -5.121 14.638 -3.156 1.00 41.33 O ATOM 1295 CB GLN A 85 -4.606 17.953 -3.732 1.00 64.11 C ATOM 1296 CG GLN A 85 -3.656 17.724 -2.535 1.00 23.11 C ATOM 1297 CD GLN A 85 -2.337 17.040 -2.906 1.00 55.04 C ATOM 1298 OE1 GLN A 85 -1.850 17.155 -4.025 1.00 74.33 O ATOM 1299 NE2 GLN A 85 -1.728 16.363 -1.951 1.00 3.04 N ATOM 0 H GLN A 85 -6.067 18.016 -5.752 1.00 3.13 H new ATOM 0 HA GLN A 85 -4.195 16.147 -4.857 1.00 10.53 H new ATOM 0 HB2 GLN A 85 -4.107 18.603 -4.451 1.00 64.11 H new ATOM 0 HB3 GLN A 85 -5.487 18.488 -3.377 1.00 64.11 H new ATOM 0 HG2 GLN A 85 -3.436 18.685 -2.070 1.00 23.11 H new ATOM 0 HG3 GLN A 85 -4.169 17.119 -1.788 1.00 23.11 H new ATOM 0 HE21 GLN A 85 -2.157 16.284 -1.029 1.00 3.04 H new ATOM 0 HE22 GLN A 85 -0.828 15.919 -2.135 1.00 3.04 H new ATOM 1308 N PRO A 86 -7.047 15.855 -3.038 1.00 40.12 N ATOM 1309 CA PRO A 86 -7.787 14.827 -2.247 1.00 73.13 C ATOM 1310 C PRO A 86 -8.040 13.525 -3.037 1.00 1.51 C ATOM 1311 O PRO A 86 -7.962 12.434 -2.466 1.00 54.41 O ATOM 1312 CB PRO A 86 -9.122 15.530 -1.886 1.00 21.51 C ATOM 1313 CG PRO A 86 -8.816 16.987 -2.008 1.00 50.22 C ATOM 1314 CD PRO A 86 -7.865 17.090 -3.167 1.00 31.44 C ATOM 0 HA PRO A 86 -7.217 14.506 -1.375 1.00 73.13 H new ATOM 0 HB2 PRO A 86 -9.923 15.234 -2.563 1.00 21.51 H new ATOM 0 HB3 PRO A 86 -9.446 15.275 -0.877 1.00 21.51 H new ATOM 0 HG2 PRO A 86 -9.721 17.567 -2.188 1.00 50.22 H new ATOM 0 HG3 PRO A 86 -8.367 17.374 -1.093 1.00 50.22 H new ATOM 0 HD2 PRO A 86 -8.393 17.127 -4.120 1.00 31.44 H new ATOM 0 HD3 PRO A 86 -7.251 17.989 -3.107 1.00 31.44 H new ATOM 1322 N THR A 87 -8.319 13.665 -4.355 1.00 61.50 N ATOM 1323 CA THR A 87 -8.621 12.529 -5.260 1.00 22.02 C ATOM 1324 C THR A 87 -7.406 11.572 -5.384 1.00 1.42 C ATOM 1325 O THR A 87 -7.572 10.359 -5.551 1.00 40.44 O ATOM 1326 CB THR A 87 -9.059 13.047 -6.678 1.00 15.23 C ATOM 1327 OG1 THR A 87 -10.042 14.084 -6.530 1.00 14.11 O ATOM 1328 CG2 THR A 87 -9.639 11.934 -7.578 1.00 11.44 C ATOM 0 H THR A 87 -8.341 14.571 -4.822 1.00 61.50 H new ATOM 0 HA THR A 87 -9.449 11.969 -4.825 1.00 22.02 H new ATOM 0 HB THR A 87 -8.160 13.425 -7.164 1.00 15.23 H new ATOM 0 HG1 THR A 87 -10.313 14.407 -7.415 1.00 14.11 H new ATOM 0 HG21 THR A 87 -9.922 12.356 -8.542 1.00 11.44 H new ATOM 0 HG22 THR A 87 -8.888 11.159 -7.728 1.00 11.44 H new ATOM 0 HG23 THR A 87 -10.517 11.500 -7.100 1.00 11.44 H new ATOM 1336 N LEU A 88 -6.189 12.150 -5.279 1.00 70.43 N ATOM 1337 CA LEU A 88 -4.918 11.397 -5.222 1.00 21.24 C ATOM 1338 C LEU A 88 -4.892 10.463 -4.001 1.00 61.21 C ATOM 1339 O LEU A 88 -4.604 9.269 -4.126 1.00 54.20 O ATOM 1340 CB LEU A 88 -3.728 12.396 -5.162 1.00 62.12 C ATOM 1341 CG LEU A 88 -3.420 13.168 -6.483 1.00 41.02 C ATOM 1342 CD1 LEU A 88 -2.491 14.375 -6.237 1.00 12.54 C ATOM 1343 CD2 LEU A 88 -2.819 12.215 -7.536 1.00 22.53 C ATOM 0 H LEU A 88 -6.061 13.161 -5.231 1.00 70.43 H new ATOM 0 HA LEU A 88 -4.831 10.783 -6.118 1.00 21.24 H new ATOM 0 HB2 LEU A 88 -3.929 13.124 -4.377 1.00 62.12 H new ATOM 0 HB3 LEU A 88 -2.833 11.848 -4.867 1.00 62.12 H new ATOM 0 HG LEU A 88 -4.362 13.560 -6.866 1.00 41.02 H new ATOM 0 HD11 LEU A 88 -2.301 14.886 -7.181 1.00 12.54 H new ATOM 0 HD12 LEU A 88 -2.968 15.065 -5.541 1.00 12.54 H new ATOM 0 HD13 LEU A 88 -1.548 14.028 -5.816 1.00 12.54 H new ATOM 0 HD21 LEU A 88 -2.610 12.769 -8.451 1.00 22.53 H new ATOM 0 HD22 LEU A 88 -1.893 11.786 -7.152 1.00 22.53 H new ATOM 0 HD23 LEU A 88 -3.528 11.415 -7.750 1.00 22.53 H new ATOM 1355 N PHE A 89 -5.240 11.027 -2.826 1.00 31.42 N ATOM 1356 CA PHE A 89 -5.293 10.278 -1.556 1.00 3.21 C ATOM 1357 C PHE A 89 -6.416 9.233 -1.572 1.00 45.43 C ATOM 1358 O PHE A 89 -6.283 8.189 -0.947 1.00 40.33 O ATOM 1359 CB PHE A 89 -5.454 11.231 -0.346 1.00 75.21 C ATOM 1360 CG PHE A 89 -4.269 12.171 -0.146 1.00 33.33 C ATOM 1361 CD1 PHE A 89 -3.000 11.662 0.122 1.00 4.22 C ATOM 1362 CD2 PHE A 89 -4.416 13.555 -0.216 1.00 25.22 C ATOM 1363 CE1 PHE A 89 -1.922 12.502 0.305 1.00 3.34 C ATOM 1364 CE2 PHE A 89 -3.342 14.393 -0.029 1.00 11.45 C ATOM 1365 CZ PHE A 89 -2.092 13.867 0.233 1.00 21.21 C ATOM 0 H PHE A 89 -5.491 12.011 -2.732 1.00 31.42 H new ATOM 0 HA PHE A 89 -4.343 9.754 -1.449 1.00 3.21 H new ATOM 0 HB2 PHE A 89 -6.359 11.824 -0.479 1.00 75.21 H new ATOM 0 HB3 PHE A 89 -5.592 10.637 0.557 1.00 75.21 H new ATOM 0 HD1 PHE A 89 -2.859 10.593 0.187 1.00 4.22 H new ATOM 0 HD2 PHE A 89 -5.389 13.976 -0.420 1.00 25.22 H new ATOM 0 HE1 PHE A 89 -0.944 12.090 0.505 1.00 3.34 H new ATOM 0 HE2 PHE A 89 -3.476 15.463 -0.087 1.00 11.45 H new ATOM 0 HZ PHE A 89 -1.249 14.525 0.381 1.00 21.21 H new ATOM 1375 N GLU A 90 -7.508 9.525 -2.304 1.00 44.50 N ATOM 1376 CA GLU A 90 -8.624 8.575 -2.492 1.00 4.03 C ATOM 1377 C GLU A 90 -8.172 7.327 -3.272 1.00 63.25 C ATOM 1378 O GLU A 90 -8.613 6.215 -2.972 1.00 3.42 O ATOM 1379 CB GLU A 90 -9.812 9.251 -3.220 1.00 74.14 C ATOM 1380 CG GLU A 90 -10.514 10.352 -2.410 1.00 43.31 C ATOM 1381 CD GLU A 90 -11.078 9.850 -1.067 1.00 31.20 C ATOM 1382 OE1 GLU A 90 -12.040 9.050 -1.087 1.00 33.12 O ATOM 1383 OE2 GLU A 90 -10.578 10.262 0.004 1.00 31.12 O ATOM 0 H GLU A 90 -7.642 10.418 -2.778 1.00 44.50 H new ATOM 0 HA GLU A 90 -8.953 8.261 -1.501 1.00 4.03 H new ATOM 0 HB2 GLU A 90 -9.452 9.680 -4.155 1.00 74.14 H new ATOM 0 HB3 GLU A 90 -10.544 8.487 -3.481 1.00 74.14 H new ATOM 0 HG2 GLU A 90 -9.808 11.161 -2.221 1.00 43.31 H new ATOM 0 HG3 GLU A 90 -11.326 10.770 -3.005 1.00 43.31 H new ATOM 1390 N LEU A 91 -7.298 7.536 -4.278 1.00 1.05 N ATOM 1391 CA LEU A 91 -6.711 6.439 -5.078 1.00 43.11 C ATOM 1392 C LEU A 91 -5.708 5.614 -4.233 1.00 63.21 C ATOM 1393 O LEU A 91 -5.600 4.401 -4.414 1.00 11.25 O ATOM 1394 CB LEU A 91 -6.015 7.001 -6.351 1.00 60.01 C ATOM 1395 CG LEU A 91 -6.926 7.725 -7.396 1.00 72.33 C ATOM 1396 CD1 LEU A 91 -6.086 8.303 -8.566 1.00 12.13 C ATOM 1397 CD2 LEU A 91 -8.041 6.784 -7.905 1.00 1.44 C ATOM 0 H LEU A 91 -6.980 8.464 -4.558 1.00 1.05 H new ATOM 0 HA LEU A 91 -7.520 5.778 -5.389 1.00 43.11 H new ATOM 0 HB2 LEU A 91 -5.241 7.700 -6.034 1.00 60.01 H new ATOM 0 HB3 LEU A 91 -5.512 6.176 -6.854 1.00 60.01 H new ATOM 0 HG LEU A 91 -7.409 8.565 -6.897 1.00 72.33 H new ATOM 0 HD11 LEU A 91 -6.746 8.800 -9.277 1.00 12.13 H new ATOM 0 HD12 LEU A 91 -5.365 9.022 -8.176 1.00 12.13 H new ATOM 0 HD13 LEU A 91 -5.556 7.494 -9.068 1.00 12.13 H new ATOM 0 HD21 LEU A 91 -8.660 7.312 -8.630 1.00 1.44 H new ATOM 0 HD22 LEU A 91 -7.592 5.911 -8.379 1.00 1.44 H new ATOM 0 HD23 LEU A 91 -8.659 6.464 -7.066 1.00 1.44 H new ATOM 1409 N ILE A 92 -4.986 6.297 -3.314 1.00 73.12 N ATOM 1410 CA ILE A 92 -4.052 5.644 -2.361 1.00 4.41 C ATOM 1411 C ILE A 92 -4.840 4.760 -1.361 1.00 51.44 C ATOM 1412 O ILE A 92 -4.476 3.603 -1.121 1.00 11.02 O ATOM 1413 CB ILE A 92 -3.174 6.712 -1.583 1.00 40.11 C ATOM 1414 CG1 ILE A 92 -2.296 7.540 -2.581 1.00 14.01 C ATOM 1415 CG2 ILE A 92 -2.290 6.051 -0.488 1.00 65.02 C ATOM 1416 CD1 ILE A 92 -1.478 8.663 -1.953 1.00 52.12 C ATOM 0 H ILE A 92 -5.032 7.311 -3.211 1.00 73.12 H new ATOM 0 HA ILE A 92 -3.373 5.013 -2.935 1.00 4.41 H new ATOM 0 HB ILE A 92 -3.861 7.391 -1.078 1.00 40.11 H new ATOM 0 HG12 ILE A 92 -1.615 6.859 -3.091 1.00 14.01 H new ATOM 0 HG13 ILE A 92 -2.947 7.969 -3.342 1.00 14.01 H new ATOM 0 HG21 ILE A 92 -1.705 6.818 0.020 1.00 65.02 H new ATOM 0 HG22 ILE A 92 -2.927 5.542 0.235 1.00 65.02 H new ATOM 0 HG23 ILE A 92 -1.617 5.329 -0.951 1.00 65.02 H new ATOM 0 HD11 ILE A 92 -0.906 9.174 -2.728 1.00 52.12 H new ATOM 0 HD12 ILE A 92 -2.147 9.373 -1.468 1.00 52.12 H new ATOM 0 HD13 ILE A 92 -0.795 8.246 -1.214 1.00 52.12 H new ATOM 1428 N LEU A 93 -5.948 5.319 -0.825 1.00 54.42 N ATOM 1429 CA LEU A 93 -6.840 4.628 0.137 1.00 23.11 C ATOM 1430 C LEU A 93 -7.522 3.414 -0.524 1.00 71.52 C ATOM 1431 O LEU A 93 -7.626 2.347 0.081 1.00 22.03 O ATOM 1432 CB LEU A 93 -7.921 5.613 0.683 1.00 21.42 C ATOM 1433 CG LEU A 93 -7.426 6.759 1.624 1.00 61.25 C ATOM 1434 CD1 LEU A 93 -8.582 7.729 1.978 1.00 31.43 C ATOM 1435 CD2 LEU A 93 -6.749 6.190 2.892 1.00 23.13 C ATOM 0 H LEU A 93 -6.251 6.267 -1.048 1.00 54.42 H new ATOM 0 HA LEU A 93 -6.231 4.274 0.969 1.00 23.11 H new ATOM 0 HB2 LEU A 93 -8.426 6.068 -0.169 1.00 21.42 H new ATOM 0 HB3 LEU A 93 -8.668 5.031 1.222 1.00 21.42 H new ATOM 0 HG LEU A 93 -6.672 7.333 1.085 1.00 61.25 H new ATOM 0 HD11 LEU A 93 -8.209 8.516 2.634 1.00 31.43 H new ATOM 0 HD12 LEU A 93 -8.976 8.174 1.064 1.00 31.43 H new ATOM 0 HD13 LEU A 93 -9.375 7.180 2.485 1.00 31.43 H new ATOM 0 HD21 LEU A 93 -6.416 7.011 3.526 1.00 23.13 H new ATOM 0 HD22 LEU A 93 -7.462 5.575 3.440 1.00 23.13 H new ATOM 0 HD23 LEU A 93 -5.891 5.582 2.605 1.00 23.13 H new ATOM 1447 N ALA A 94 -7.958 3.603 -1.786 1.00 55.35 N ATOM 1448 CA ALA A 94 -8.665 2.571 -2.565 1.00 53.33 C ATOM 1449 C ALA A 94 -7.731 1.419 -2.948 1.00 35.10 C ATOM 1450 O ALA A 94 -8.114 0.258 -2.864 1.00 53.11 O ATOM 1451 CB ALA A 94 -9.286 3.189 -3.821 1.00 3.31 C ATOM 0 H ALA A 94 -7.828 4.478 -2.293 1.00 55.35 H new ATOM 0 HA ALA A 94 -9.458 2.163 -1.937 1.00 53.33 H new ATOM 0 HB1 ALA A 94 -9.805 2.416 -4.388 1.00 3.31 H new ATOM 0 HB2 ALA A 94 -9.994 3.965 -3.532 1.00 3.31 H new ATOM 0 HB3 ALA A 94 -8.501 3.626 -4.438 1.00 3.31 H new ATOM 1457 N ALA A 95 -6.500 1.763 -3.363 1.00 45.14 N ATOM 1458 CA ALA A 95 -5.490 0.772 -3.788 1.00 74.05 C ATOM 1459 C ALA A 95 -4.925 -0.011 -2.586 1.00 34.22 C ATOM 1460 O ALA A 95 -4.494 -1.152 -2.740 1.00 62.43 O ATOM 1461 CB ALA A 95 -4.368 1.461 -4.559 1.00 63.32 C ATOM 0 H ALA A 95 -6.176 2.729 -3.414 1.00 45.14 H new ATOM 0 HA ALA A 95 -5.979 0.053 -4.445 1.00 74.05 H new ATOM 0 HB1 ALA A 95 -3.630 0.720 -4.867 1.00 63.32 H new ATOM 0 HB2 ALA A 95 -4.780 1.951 -5.441 1.00 63.32 H new ATOM 0 HB3 ALA A 95 -3.891 2.205 -3.921 1.00 63.32 H new ATOM 1467 N ASN A 96 -4.909 0.641 -1.407 1.00 1.22 N ATOM 1468 CA ASN A 96 -4.533 0.010 -0.115 1.00 14.35 C ATOM 1469 C ASN A 96 -5.640 -0.987 0.317 1.00 14.42 C ATOM 1470 O ASN A 96 -5.363 -2.120 0.721 1.00 35.24 O ATOM 1471 CB ASN A 96 -4.328 1.125 0.964 1.00 34.22 C ATOM 1472 CG ASN A 96 -3.705 0.666 2.298 1.00 21.22 C ATOM 1473 OD1 ASN A 96 -3.842 -0.476 2.726 1.00 14.01 O ATOM 1474 ND2 ASN A 96 -3.028 1.577 2.983 1.00 14.22 N ATOM 0 H ASN A 96 -5.157 1.626 -1.318 1.00 1.22 H new ATOM 0 HA ASN A 96 -3.600 -0.542 -0.225 1.00 14.35 H new ATOM 0 HB2 ASN A 96 -3.694 1.903 0.538 1.00 34.22 H new ATOM 0 HB3 ASN A 96 -5.295 1.581 1.175 1.00 34.22 H new ATOM 0 HD21 ASN A 96 -2.611 1.334 3.881 1.00 14.22 H new ATOM 0 HD22 ASN A 96 -2.924 2.521 2.612 1.00 14.22 H new ATOM 1481 N TYR A 97 -6.900 -0.535 0.179 1.00 54.33 N ATOM 1482 CA TYR A 97 -8.112 -1.289 0.576 1.00 73.11 C ATOM 1483 C TYR A 97 -8.368 -2.500 -0.349 1.00 24.42 C ATOM 1484 O TYR A 97 -8.827 -3.558 0.105 1.00 64.52 O ATOM 1485 CB TYR A 97 -9.324 -0.318 0.571 1.00 22.22 C ATOM 1486 CG TYR A 97 -10.702 -0.947 0.828 1.00 13.22 C ATOM 1487 CD1 TYR A 97 -11.651 -1.057 -0.195 1.00 55.41 C ATOM 1488 CD2 TYR A 97 -11.062 -1.408 2.098 1.00 20.55 C ATOM 1489 CE1 TYR A 97 -12.898 -1.595 0.043 1.00 44.45 C ATOM 1490 CE2 TYR A 97 -12.307 -1.957 2.333 1.00 44.24 C ATOM 1491 CZ TYR A 97 -13.222 -2.045 1.307 1.00 10.21 C ATOM 1492 OH TYR A 97 -14.480 -2.550 1.570 1.00 5.13 O ATOM 0 H TYR A 97 -7.112 0.380 -0.218 1.00 54.33 H new ATOM 0 HA TYR A 97 -7.965 -1.693 1.578 1.00 73.11 H new ATOM 0 HB2 TYR A 97 -9.151 0.448 1.327 1.00 22.22 H new ATOM 0 HB3 TYR A 97 -9.353 0.187 -0.394 1.00 22.22 H new ATOM 0 HD1 TYR A 97 -11.402 -0.714 -1.188 1.00 55.41 H new ATOM 0 HD2 TYR A 97 -10.354 -1.333 2.910 1.00 20.55 H new ATOM 0 HE1 TYR A 97 -13.620 -1.664 -0.758 1.00 44.45 H new ATOM 0 HE2 TYR A 97 -12.563 -2.317 3.319 1.00 44.24 H new ATOM 0 HH TYR A 97 -14.534 -2.821 2.510 1.00 5.13 H new ATOM 1502 N LEU A 98 -8.079 -2.325 -1.648 1.00 61.14 N ATOM 1503 CA LEU A 98 -8.248 -3.379 -2.675 1.00 60.11 C ATOM 1504 C LEU A 98 -6.951 -4.183 -2.850 1.00 34.13 C ATOM 1505 O LEU A 98 -6.933 -5.186 -3.578 1.00 45.25 O ATOM 1506 CB LEU A 98 -8.681 -2.747 -4.024 1.00 32.34 C ATOM 1507 CG LEU A 98 -10.049 -2.001 -4.021 1.00 15.24 C ATOM 1508 CD1 LEU A 98 -10.318 -1.327 -5.381 1.00 20.23 C ATOM 1509 CD2 LEU A 98 -11.202 -2.943 -3.605 1.00 2.01 C ATOM 0 H LEU A 98 -7.720 -1.447 -2.023 1.00 61.14 H new ATOM 0 HA LEU A 98 -9.028 -4.063 -2.342 1.00 60.11 H new ATOM 0 HB2 LEU A 98 -7.908 -2.046 -4.339 1.00 32.34 H new ATOM 0 HB3 LEU A 98 -8.721 -3.535 -4.776 1.00 32.34 H new ATOM 0 HG LEU A 98 -9.997 -1.210 -3.273 1.00 15.24 H new ATOM 0 HD11 LEU A 98 -11.279 -0.814 -5.349 1.00 20.23 H new ATOM 0 HD12 LEU A 98 -9.529 -0.605 -5.592 1.00 20.23 H new ATOM 0 HD13 LEU A 98 -10.336 -2.084 -6.165 1.00 20.23 H new ATOM 0 HD21 LEU A 98 -12.143 -2.392 -3.613 1.00 2.01 H new ATOM 0 HD22 LEU A 98 -11.263 -3.775 -4.306 1.00 2.01 H new ATOM 0 HD23 LEU A 98 -11.015 -3.327 -2.602 1.00 2.01 H new ATOM 1521 N ASP A 99 -5.872 -3.709 -2.190 1.00 23.14 N ATOM 1522 CA ASP A 99 -4.559 -4.383 -2.139 1.00 5.30 C ATOM 1523 C ASP A 99 -3.891 -4.411 -3.543 1.00 14.24 C ATOM 1524 O ASP A 99 -3.014 -5.242 -3.816 1.00 73.20 O ATOM 1525 CB ASP A 99 -4.722 -5.812 -1.518 1.00 43.34 C ATOM 1526 CG ASP A 99 -3.530 -6.275 -0.658 1.00 51.21 C ATOM 1527 OD1 ASP A 99 -3.586 -6.104 0.583 1.00 41.20 O ATOM 1528 OD2 ASP A 99 -2.549 -6.834 -1.194 1.00 61.14 O ATOM 0 H ASP A 99 -5.891 -2.832 -1.669 1.00 23.14 H new ATOM 0 HA ASP A 99 -3.887 -3.818 -1.494 1.00 5.30 H new ATOM 0 HB2 ASP A 99 -5.623 -5.827 -0.905 1.00 43.34 H new ATOM 0 HB3 ASP A 99 -4.872 -6.530 -2.324 1.00 43.34 H new ATOM 1533 N ILE A 100 -4.310 -3.471 -4.427 1.00 33.35 N ATOM 1534 CA ILE A 100 -3.751 -3.329 -5.781 1.00 32.11 C ATOM 1535 C ILE A 100 -2.473 -2.486 -5.695 1.00 53.05 C ATOM 1536 O ILE A 100 -2.499 -1.260 -5.832 1.00 11.52 O ATOM 1537 CB ILE A 100 -4.769 -2.699 -6.811 1.00 31.51 C ATOM 1538 CG1 ILE A 100 -6.121 -3.469 -6.771 1.00 11.13 C ATOM 1539 CG2 ILE A 100 -4.175 -2.701 -8.250 1.00 12.31 C ATOM 1540 CD1 ILE A 100 -7.193 -2.981 -7.732 1.00 75.23 C ATOM 0 H ILE A 100 -5.044 -2.795 -4.215 1.00 33.35 H new ATOM 0 HA ILE A 100 -3.528 -4.326 -6.160 1.00 32.11 H new ATOM 0 HB ILE A 100 -4.951 -1.663 -6.526 1.00 31.51 H new ATOM 0 HG12 ILE A 100 -5.924 -4.520 -6.981 1.00 11.13 H new ATOM 0 HG13 ILE A 100 -6.518 -3.415 -5.757 1.00 11.13 H new ATOM 0 HG21 ILE A 100 -4.895 -2.262 -8.941 1.00 12.31 H new ATOM 0 HG22 ILE A 100 -3.255 -2.117 -8.265 1.00 12.31 H new ATOM 0 HG23 ILE A 100 -3.959 -3.726 -8.553 1.00 12.31 H new ATOM 0 HD11 ILE A 100 -8.090 -3.590 -7.617 1.00 75.23 H new ATOM 0 HD12 ILE A 100 -7.431 -1.940 -7.514 1.00 75.23 H new ATOM 0 HD13 ILE A 100 -6.828 -3.063 -8.756 1.00 75.23 H new ATOM 1552 N LYS A 101 -1.374 -3.185 -5.401 1.00 21.21 N ATOM 1553 CA LYS A 101 -0.024 -2.612 -5.289 1.00 61.54 C ATOM 1554 C LYS A 101 0.497 -2.027 -6.635 1.00 73.23 C ATOM 1555 O LYS A 101 1.175 -1.001 -6.593 1.00 3.42 O ATOM 1556 CB LYS A 101 0.939 -3.686 -4.732 1.00 14.12 C ATOM 1557 CG LYS A 101 0.461 -4.312 -3.404 1.00 73.04 C ATOM 1558 CD LYS A 101 1.263 -5.569 -3.021 1.00 62.41 C ATOM 1559 CE LYS A 101 0.736 -6.221 -1.742 1.00 35.23 C ATOM 1560 NZ LYS A 101 1.483 -7.458 -1.393 1.00 63.13 N ATOM 0 H LYS A 101 -1.395 -4.190 -5.229 1.00 21.21 H new ATOM 0 HA LYS A 101 -0.071 -1.769 -4.599 1.00 61.54 H new ATOM 0 HB2 LYS A 101 1.059 -4.475 -5.474 1.00 14.12 H new ATOM 0 HB3 LYS A 101 1.921 -3.239 -4.581 1.00 14.12 H new ATOM 0 HG2 LYS A 101 0.547 -3.574 -2.607 1.00 73.04 H new ATOM 0 HG3 LYS A 101 -0.595 -4.570 -3.487 1.00 73.04 H new ATOM 0 HD2 LYS A 101 1.220 -6.289 -3.838 1.00 62.41 H new ATOM 0 HD3 LYS A 101 2.311 -5.302 -2.886 1.00 62.41 H new ATOM 0 HE2 LYS A 101 0.808 -5.511 -0.918 1.00 35.23 H new ATOM 0 HE3 LYS A 101 -0.320 -6.459 -1.866 1.00 35.23 H new ATOM 0 HZ1 LYS A 101 1.222 -7.762 -0.433 1.00 63.13 H new ATOM 0 HZ2 LYS A 101 1.245 -8.210 -2.071 1.00 63.13 H new ATOM 0 HZ3 LYS A 101 2.505 -7.269 -1.430 1.00 63.13 H new ATOM 1574 N PRO A 102 0.221 -2.663 -7.850 1.00 32.13 N ATOM 1575 CA PRO A 102 0.500 -2.019 -9.174 1.00 3.53 C ATOM 1576 C PRO A 102 -0.014 -0.557 -9.283 1.00 62.22 C ATOM 1577 O PRO A 102 0.730 0.331 -9.696 1.00 24.34 O ATOM 1578 CB PRO A 102 -0.237 -2.950 -10.172 1.00 70.43 C ATOM 1579 CG PRO A 102 -0.141 -4.308 -9.546 1.00 2.11 C ATOM 1580 CD PRO A 102 -0.268 -4.073 -8.054 1.00 5.52 C ATOM 0 HA PRO A 102 1.570 -1.923 -9.357 1.00 3.53 H new ATOM 0 HB2 PRO A 102 -1.275 -2.646 -10.308 1.00 70.43 H new ATOM 0 HB3 PRO A 102 0.232 -2.931 -11.156 1.00 70.43 H new ATOM 0 HG2 PRO A 102 -0.932 -4.965 -9.909 1.00 2.11 H new ATOM 0 HG3 PRO A 102 0.808 -4.787 -9.789 1.00 2.11 H new ATOM 0 HD2 PRO A 102 -1.300 -4.187 -7.721 1.00 5.52 H new ATOM 0 HD3 PRO A 102 0.331 -4.786 -7.488 1.00 5.52 H new ATOM 1588 N LEU A 103 -1.284 -0.322 -8.883 1.00 22.51 N ATOM 1589 CA LEU A 103 -1.927 1.015 -8.962 1.00 14.15 C ATOM 1590 C LEU A 103 -1.409 1.919 -7.826 1.00 23.21 C ATOM 1591 O LEU A 103 -1.130 3.107 -8.047 1.00 41.13 O ATOM 1592 CB LEU A 103 -3.487 0.866 -8.919 1.00 12.22 C ATOM 1593 CG LEU A 103 -4.374 2.151 -9.180 1.00 23.53 C ATOM 1594 CD1 LEU A 103 -4.634 2.992 -7.906 1.00 3.23 C ATOM 1595 CD2 LEU A 103 -3.763 3.019 -10.296 1.00 62.11 C ATOM 0 H LEU A 103 -1.891 -1.046 -8.499 1.00 22.51 H new ATOM 0 HA LEU A 103 -1.665 1.488 -9.908 1.00 14.15 H new ATOM 0 HB2 LEU A 103 -3.769 0.113 -9.655 1.00 12.22 H new ATOM 0 HB3 LEU A 103 -3.756 0.471 -7.939 1.00 12.22 H new ATOM 0 HG LEU A 103 -5.349 1.787 -9.505 1.00 23.53 H new ATOM 0 HD11 LEU A 103 -5.248 3.856 -8.160 1.00 3.23 H new ATOM 0 HD12 LEU A 103 -5.154 2.382 -7.167 1.00 3.23 H new ATOM 0 HD13 LEU A 103 -3.684 3.331 -7.493 1.00 3.23 H new ATOM 0 HD21 LEU A 103 -4.389 3.896 -10.458 1.00 62.11 H new ATOM 0 HD22 LEU A 103 -2.762 3.336 -10.003 1.00 62.11 H new ATOM 0 HD23 LEU A 103 -3.705 2.439 -11.217 1.00 62.11 H new ATOM 1607 N LEU A 104 -1.272 1.324 -6.626 1.00 12.45 N ATOM 1608 CA LEU A 104 -0.804 2.011 -5.402 1.00 1.30 C ATOM 1609 C LEU A 104 0.573 2.652 -5.622 1.00 21.44 C ATOM 1610 O LEU A 104 0.791 3.806 -5.251 1.00 2.43 O ATOM 1611 CB LEU A 104 -0.743 0.995 -4.228 1.00 22.22 C ATOM 1612 CG LEU A 104 -0.273 1.532 -2.839 1.00 21.43 C ATOM 1613 CD1 LEU A 104 -1.229 2.606 -2.275 1.00 71.32 C ATOM 1614 CD2 LEU A 104 -0.076 0.366 -1.846 1.00 55.33 C ATOM 0 H LEU A 104 -1.486 0.338 -6.475 1.00 12.45 H new ATOM 0 HA LEU A 104 -1.508 2.806 -5.158 1.00 1.30 H new ATOM 0 HB2 LEU A 104 -1.736 0.563 -4.104 1.00 22.22 H new ATOM 0 HB3 LEU A 104 -0.076 0.183 -4.519 1.00 22.22 H new ATOM 0 HG LEU A 104 0.690 2.022 -2.983 1.00 21.43 H new ATOM 0 HD11 LEU A 104 -0.861 2.949 -1.308 1.00 71.32 H new ATOM 0 HD12 LEU A 104 -1.277 3.449 -2.965 1.00 71.32 H new ATOM 0 HD13 LEU A 104 -2.225 2.179 -2.153 1.00 71.32 H new ATOM 0 HD21 LEU A 104 0.252 0.759 -0.884 1.00 55.33 H new ATOM 0 HD22 LEU A 104 -1.018 -0.167 -1.719 1.00 55.33 H new ATOM 0 HD23 LEU A 104 0.678 -0.319 -2.234 1.00 55.33 H new ATOM 1626 N ASP A 105 1.467 1.887 -6.271 1.00 31.10 N ATOM 1627 CA ASP A 105 2.845 2.312 -6.562 1.00 54.21 C ATOM 1628 C ASP A 105 2.842 3.534 -7.493 1.00 72.30 C ATOM 1629 O ASP A 105 3.504 4.531 -7.213 1.00 40.32 O ATOM 1630 CB ASP A 105 3.640 1.145 -7.207 1.00 20.52 C ATOM 1631 CG ASP A 105 5.117 1.502 -7.461 1.00 51.12 C ATOM 1632 OD1 ASP A 105 5.949 1.344 -6.540 1.00 1.32 O ATOM 1633 OD2 ASP A 105 5.457 1.957 -8.575 1.00 24.23 O ATOM 0 H ASP A 105 1.251 0.950 -6.610 1.00 31.10 H new ATOM 0 HA ASP A 105 3.330 2.591 -5.626 1.00 54.21 H new ATOM 0 HB2 ASP A 105 3.588 0.272 -6.557 1.00 20.52 H new ATOM 0 HB3 ASP A 105 3.170 0.868 -8.151 1.00 20.52 H new ATOM 1638 N VAL A 106 2.055 3.443 -8.583 1.00 5.24 N ATOM 1639 CA VAL A 106 1.952 4.510 -9.599 1.00 71.51 C ATOM 1640 C VAL A 106 1.437 5.828 -8.976 1.00 72.14 C ATOM 1641 O VAL A 106 2.011 6.896 -9.216 1.00 55.14 O ATOM 1642 CB VAL A 106 1.031 4.072 -10.803 1.00 74.31 C ATOM 1643 CG1 VAL A 106 0.889 5.190 -11.867 1.00 44.34 C ATOM 1644 CG2 VAL A 106 1.560 2.772 -11.447 1.00 11.52 C ATOM 0 H VAL A 106 1.474 2.629 -8.784 1.00 5.24 H new ATOM 0 HA VAL A 106 2.955 4.685 -9.987 1.00 71.51 H new ATOM 0 HB VAL A 106 0.037 3.885 -10.397 1.00 74.31 H new ATOM 0 HG11 VAL A 106 0.246 4.843 -12.676 1.00 44.34 H new ATOM 0 HG12 VAL A 106 0.448 6.075 -11.408 1.00 44.34 H new ATOM 0 HG13 VAL A 106 1.872 5.439 -12.266 1.00 44.34 H new ATOM 0 HG21 VAL A 106 0.912 2.486 -12.275 1.00 11.52 H new ATOM 0 HG22 VAL A 106 2.572 2.935 -11.818 1.00 11.52 H new ATOM 0 HG23 VAL A 106 1.571 1.976 -10.703 1.00 11.52 H new ATOM 1654 N THR A 107 0.386 5.723 -8.142 1.00 53.32 N ATOM 1655 CA THR A 107 -0.231 6.883 -7.474 1.00 33.12 C ATOM 1656 C THR A 107 0.720 7.496 -6.411 1.00 34.51 C ATOM 1657 O THR A 107 0.808 8.723 -6.281 1.00 33.22 O ATOM 1658 CB THR A 107 -1.597 6.480 -6.822 1.00 23.11 C ATOM 1659 OG1 THR A 107 -2.406 5.768 -7.780 1.00 30.44 O ATOM 1660 CG2 THR A 107 -2.385 7.707 -6.321 1.00 24.23 C ATOM 0 H THR A 107 -0.058 4.834 -7.913 1.00 53.32 H new ATOM 0 HA THR A 107 -0.417 7.643 -8.232 1.00 33.12 H new ATOM 0 HB THR A 107 -1.370 5.846 -5.965 1.00 23.11 H new ATOM 0 HG1 THR A 107 -2.055 4.860 -7.895 1.00 30.44 H new ATOM 0 HG21 THR A 107 -3.325 7.379 -5.877 1.00 24.23 H new ATOM 0 HG22 THR A 107 -1.796 8.237 -5.573 1.00 24.23 H new ATOM 0 HG23 THR A 107 -2.592 8.373 -7.159 1.00 24.23 H new ATOM 1668 N CYS A 108 1.460 6.621 -5.690 1.00 22.32 N ATOM 1669 CA CYS A 108 2.451 7.041 -4.674 1.00 71.13 C ATOM 1670 C CYS A 108 3.651 7.749 -5.335 1.00 64.45 C ATOM 1671 O CYS A 108 4.261 8.640 -4.738 1.00 43.34 O ATOM 1672 CB CYS A 108 2.924 5.828 -3.844 1.00 2.21 C ATOM 1673 SG CYS A 108 1.617 5.061 -2.858 1.00 20.14 S ATOM 0 H CYS A 108 1.387 5.609 -5.796 1.00 22.32 H new ATOM 0 HA CYS A 108 1.968 7.751 -4.002 1.00 71.13 H new ATOM 0 HB2 CYS A 108 3.344 5.081 -4.517 1.00 2.21 H new ATOM 0 HB3 CYS A 108 3.728 6.146 -3.180 1.00 2.21 H new ATOM 0 HG CYS A 108 1.022 4.145 -3.563 1.00 20.14 H new ATOM 1679 N LYS A 109 3.975 7.341 -6.575 1.00 72.11 N ATOM 1680 CA LYS A 109 5.027 7.984 -7.385 1.00 53.42 C ATOM 1681 C LYS A 109 4.529 9.330 -7.945 1.00 64.54 C ATOM 1682 O LYS A 109 5.296 10.283 -7.999 1.00 42.31 O ATOM 1683 CB LYS A 109 5.532 7.028 -8.522 1.00 75.33 C ATOM 1684 CG LYS A 109 6.745 6.125 -8.137 1.00 64.11 C ATOM 1685 CD LYS A 109 6.545 5.346 -6.815 1.00 4.54 C ATOM 1686 CE LYS A 109 7.737 4.439 -6.459 1.00 11.31 C ATOM 1687 NZ LYS A 109 7.938 3.354 -7.455 1.00 2.33 N ATOM 0 H LYS A 109 3.517 6.559 -7.043 1.00 72.11 H new ATOM 0 HA LYS A 109 5.882 8.189 -6.740 1.00 53.42 H new ATOM 0 HB2 LYS A 109 4.706 6.388 -8.831 1.00 75.33 H new ATOM 0 HB3 LYS A 109 5.808 7.631 -9.387 1.00 75.33 H new ATOM 0 HG2 LYS A 109 6.928 5.414 -8.943 1.00 64.11 H new ATOM 0 HG3 LYS A 109 7.636 6.746 -8.051 1.00 64.11 H new ATOM 0 HD2 LYS A 109 6.382 6.056 -6.004 1.00 4.54 H new ATOM 0 HD3 LYS A 109 5.644 4.737 -6.892 1.00 4.54 H new ATOM 0 HE2 LYS A 109 8.643 5.042 -6.394 1.00 11.31 H new ATOM 0 HE3 LYS A 109 7.575 4.000 -5.475 1.00 11.31 H new ATOM 0 HZ1 LYS A 109 8.188 2.473 -6.963 1.00 2.33 H new ATOM 0 HZ2 LYS A 109 7.061 3.212 -7.995 1.00 2.33 H new ATOM 0 HZ3 LYS A 109 8.706 3.617 -8.105 1.00 2.33 H new ATOM 1701 N THR A 110 3.233 9.407 -8.322 1.00 44.32 N ATOM 1702 CA THR A 110 2.627 10.634 -8.882 1.00 2.32 C ATOM 1703 C THR A 110 2.617 11.773 -7.836 1.00 31.40 C ATOM 1704 O THR A 110 3.029 12.905 -8.129 1.00 45.33 O ATOM 1705 CB THR A 110 1.172 10.357 -9.394 1.00 21.15 C ATOM 1706 OG1 THR A 110 1.199 9.323 -10.395 1.00 5.25 O ATOM 1707 CG2 THR A 110 0.501 11.615 -9.984 1.00 3.02 C ATOM 0 H THR A 110 2.582 8.625 -8.247 1.00 44.32 H new ATOM 0 HA THR A 110 3.237 10.948 -9.729 1.00 2.32 H new ATOM 0 HB THR A 110 0.584 10.043 -8.532 1.00 21.15 H new ATOM 0 HG1 THR A 110 1.483 8.479 -9.986 1.00 5.25 H new ATOM 0 HG21 THR A 110 -0.505 11.366 -10.323 1.00 3.02 H new ATOM 0 HG22 THR A 110 0.445 12.390 -9.219 1.00 3.02 H new ATOM 0 HG23 THR A 110 1.088 11.979 -10.827 1.00 3.02 H new ATOM 1715 N VAL A 111 2.177 11.440 -6.606 1.00 62.33 N ATOM 1716 CA VAL A 111 2.139 12.396 -5.484 1.00 51.43 C ATOM 1717 C VAL A 111 3.569 12.794 -5.051 1.00 43.22 C ATOM 1718 O VAL A 111 3.808 13.941 -4.645 1.00 22.42 O ATOM 1719 CB VAL A 111 1.306 11.844 -4.262 1.00 4.51 C ATOM 1720 CG1 VAL A 111 -0.155 11.557 -4.675 1.00 22.00 C ATOM 1721 CG2 VAL A 111 1.954 10.594 -3.636 1.00 30.12 C ATOM 0 H VAL A 111 1.841 10.508 -6.365 1.00 62.33 H new ATOM 0 HA VAL A 111 1.628 13.291 -5.838 1.00 51.43 H new ATOM 0 HB VAL A 111 1.303 12.622 -3.499 1.00 4.51 H new ATOM 0 HG11 VAL A 111 -0.708 11.178 -3.816 1.00 22.00 H new ATOM 0 HG12 VAL A 111 -0.620 12.477 -5.029 1.00 22.00 H new ATOM 0 HG13 VAL A 111 -0.168 10.814 -5.472 1.00 22.00 H new ATOM 0 HG21 VAL A 111 1.346 10.250 -2.799 1.00 30.12 H new ATOM 0 HG22 VAL A 111 2.021 9.805 -4.385 1.00 30.12 H new ATOM 0 HG23 VAL A 111 2.954 10.842 -3.280 1.00 30.12 H new ATOM 1731 N ALA A 112 4.513 11.836 -5.175 1.00 12.44 N ATOM 1732 CA ALA A 112 5.939 12.069 -4.896 1.00 63.23 C ATOM 1733 C ALA A 112 6.576 12.953 -5.984 1.00 24.13 C ATOM 1734 O ALA A 112 7.480 13.722 -5.695 1.00 1.32 O ATOM 1735 CB ALA A 112 6.695 10.737 -4.774 1.00 11.20 C ATOM 0 H ALA A 112 4.304 10.882 -5.471 1.00 12.44 H new ATOM 0 HA ALA A 112 6.013 12.595 -3.944 1.00 63.23 H new ATOM 0 HB1 ALA A 112 7.747 10.933 -4.568 1.00 11.20 H new ATOM 0 HB2 ALA A 112 6.269 10.150 -3.960 1.00 11.20 H new ATOM 0 HB3 ALA A 112 6.606 10.181 -5.707 1.00 11.20 H new ATOM 1741 N ASN A 113 6.073 12.847 -7.238 1.00 52.43 N ATOM 1742 CA ASN A 113 6.595 13.630 -8.390 1.00 23.14 C ATOM 1743 C ASN A 113 6.308 15.124 -8.220 1.00 70.15 C ATOM 1744 O ASN A 113 7.145 15.964 -8.574 1.00 22.22 O ATOM 1745 CB ASN A 113 6.021 13.110 -9.759 1.00 52.24 C ATOM 1746 CG ASN A 113 6.792 11.929 -10.376 1.00 11.42 C ATOM 1747 OD1 ASN A 113 7.398 11.071 -9.555 1.00 52.35 O flip ATOM 1748 ND2 ASN A 113 6.836 11.780 -11.603 1.00 23.33 N flip ATOM 0 H ASN A 113 5.302 12.224 -7.480 1.00 52.43 H new ATOM 0 HA ASN A 113 7.676 13.488 -8.408 1.00 23.14 H new ATOM 0 HB2 ASN A 113 4.983 12.811 -9.611 1.00 52.24 H new ATOM 0 HB3 ASN A 113 6.017 13.935 -10.472 1.00 52.24 H new ATOM 0 HD21 ASN A 113 6.366 12.447 -12.215 1.00 23.33 H new ATOM 0 HD22 ASN A 113 7.342 10.990 -12.003 1.00 23.33 H new ATOM 1755 N MET A 114 5.130 15.434 -7.654 1.00 60.24 N ATOM 1756 CA MET A 114 4.666 16.819 -7.441 1.00 24.54 C ATOM 1757 C MET A 114 5.599 17.595 -6.494 1.00 62.32 C ATOM 1758 O MET A 114 5.791 18.805 -6.649 1.00 72.24 O ATOM 1759 CB MET A 114 3.234 16.827 -6.860 1.00 53.42 C ATOM 1760 CG MET A 114 2.179 16.100 -7.702 1.00 14.42 C ATOM 1761 SD MET A 114 0.508 16.304 -7.047 1.00 5.43 S ATOM 1762 CE MET A 114 0.731 15.874 -5.318 1.00 74.42 C ATOM 0 H MET A 114 4.468 14.729 -7.329 1.00 60.24 H new ATOM 0 HA MET A 114 4.673 17.312 -8.413 1.00 24.54 H new ATOM 0 HB2 MET A 114 3.260 16.373 -5.869 1.00 53.42 H new ATOM 0 HB3 MET A 114 2.919 17.862 -6.728 1.00 53.42 H new ATOM 0 HG2 MET A 114 2.213 16.476 -8.725 1.00 14.42 H new ATOM 0 HG3 MET A 114 2.422 15.038 -7.745 1.00 14.42 H new ATOM 0 HE1 MET A 114 -0.167 15.379 -4.948 1.00 74.42 H new ATOM 0 HE2 MET A 114 1.584 15.203 -5.217 1.00 74.42 H new ATOM 0 HE3 MET A 114 0.911 16.779 -4.738 1.00 74.42 H new ATOM 1772 N ILE A 115 6.167 16.880 -5.506 1.00 4.12 N ATOM 1773 CA ILE A 115 7.016 17.494 -4.467 1.00 15.41 C ATOM 1774 C ILE A 115 8.515 17.404 -4.848 1.00 10.20 C ATOM 1775 O ILE A 115 9.275 18.346 -4.583 1.00 61.20 O ATOM 1776 CB ILE A 115 6.747 16.826 -3.058 1.00 64.03 C ATOM 1777 CG1 ILE A 115 7.265 15.353 -2.986 1.00 73.33 C ATOM 1778 CG2 ILE A 115 5.232 16.883 -2.722 1.00 15.44 C ATOM 1779 CD1 ILE A 115 7.102 14.665 -1.643 1.00 12.12 C ATOM 0 H ILE A 115 6.053 15.871 -5.405 1.00 4.12 H new ATOM 0 HA ILE A 115 6.754 18.550 -4.397 1.00 15.41 H new ATOM 0 HB ILE A 115 7.307 17.397 -2.317 1.00 64.03 H new ATOM 0 HG12 ILE A 115 6.742 14.766 -3.741 1.00 73.33 H new ATOM 0 HG13 ILE A 115 8.322 15.345 -3.252 1.00 73.33 H new ATOM 0 HG21 ILE A 115 5.057 16.421 -1.750 1.00 15.44 H new ATOM 0 HG22 ILE A 115 4.904 17.922 -2.694 1.00 15.44 H new ATOM 0 HG23 ILE A 115 4.669 16.346 -3.486 1.00 15.44 H new ATOM 0 HD11 ILE A 115 7.493 13.650 -1.704 1.00 12.12 H new ATOM 0 HD12 ILE A 115 7.650 15.220 -0.881 1.00 12.12 H new ATOM 0 HD13 ILE A 115 6.045 14.631 -1.377 1.00 12.12 H new ATOM 1791 N ARG A 116 8.890 16.282 -5.512 1.00 61.31 N ATOM 1792 CA ARG A 116 10.246 15.986 -6.000 1.00 24.52 C ATOM 1793 C ARG A 116 10.281 14.537 -6.544 1.00 3.24 C ATOM 1794 O ARG A 116 10.486 13.573 -5.786 1.00 31.21 O ATOM 1795 CB ARG A 116 11.332 16.164 -4.897 1.00 61.23 C ATOM 1796 CG ARG A 116 12.768 15.806 -5.334 1.00 33.22 C ATOM 1797 CD ARG A 116 13.302 16.680 -6.486 1.00 64.10 C ATOM 1798 NE ARG A 116 14.598 16.187 -6.987 1.00 60.32 N ATOM 1799 CZ ARG A 116 15.404 16.838 -7.837 1.00 1.31 C ATOM 1800 NH1 ARG A 116 15.093 18.052 -8.299 1.00 42.22 N ATOM 1801 NH2 ARG A 116 16.534 16.258 -8.233 1.00 73.10 N ATOM 0 H ARG A 116 8.227 15.537 -5.726 1.00 61.31 H new ATOM 0 HA ARG A 116 10.478 16.699 -6.791 1.00 24.52 H new ATOM 0 HB2 ARG A 116 11.319 17.200 -4.559 1.00 61.23 H new ATOM 0 HB3 ARG A 116 11.064 15.545 -4.041 1.00 61.23 H new ATOM 0 HG2 ARG A 116 13.434 15.904 -4.477 1.00 33.22 H new ATOM 0 HG3 ARG A 116 12.795 14.760 -5.641 1.00 33.22 H new ATOM 0 HD2 ARG A 116 12.577 16.692 -7.300 1.00 64.10 H new ATOM 0 HD3 ARG A 116 13.412 17.708 -6.142 1.00 64.10 H new ATOM 0 HE ARG A 116 14.908 15.272 -6.659 1.00 60.32 H new ATOM 0 HH11 ARG A 116 14.226 18.503 -8.005 1.00 42.22 H new ATOM 0 HH12 ARG A 116 15.722 18.528 -8.945 1.00 42.22 H new ATOM 0 HH21 ARG A 116 16.778 15.329 -7.890 1.00 73.10 H new ATOM 0 HH22 ARG A 116 17.156 16.742 -8.880 1.00 73.10 H new ATOM 1815 N GLY A 117 9.967 14.392 -7.833 1.00 63.14 N ATOM 1816 CA GLY A 117 10.178 13.128 -8.556 1.00 52.53 C ATOM 1817 C GLY A 117 11.570 13.034 -9.201 1.00 52.45 C ATOM 1818 O GLY A 117 12.158 14.082 -9.550 1.00 2.34 O ATOM 1819 OXT GLY A 117 12.070 11.904 -9.401 1.00 37.59 O ATOM 0 H GLY A 117 9.564 15.136 -8.403 1.00 63.14 H new ATOM 0 HA2 GLY A 117 10.045 12.294 -7.867 1.00 52.53 H new ATOM 0 HA3 GLY A 117 9.417 13.026 -9.330 1.00 52.53 H new TER 1823 GLY A 117 ATOM 1824 N SER B 2 15.605 -14.913 17.528 1.00 20.10 N ATOM 1825 CA SER B 2 16.792 -14.611 16.698 1.00 15.34 C ATOM 1826 C SER B 2 16.682 -13.202 16.106 1.00 4.05 C ATOM 1827 O SER B 2 15.571 -12.703 15.895 1.00 31.42 O ATOM 1828 CB SER B 2 16.933 -15.667 15.586 1.00 15.12 C ATOM 1829 OG SER B 2 16.896 -16.975 16.140 1.00 21.10 O ATOM 0 HA SER B 2 17.685 -14.645 17.323 1.00 15.34 H new ATOM 0 HB2 SER B 2 16.129 -15.550 14.860 1.00 15.12 H new ATOM 0 HB3 SER B 2 17.871 -15.518 15.050 1.00 15.12 H new ATOM 0 HG SER B 2 16.314 -16.980 16.929 1.00 21.10 H new ATOM 1837 N LEU B 3 17.836 -12.567 15.847 1.00 4.15 N ATOM 1838 CA LEU B 3 17.900 -11.199 15.303 1.00 73.20 C ATOM 1839 C LEU B 3 18.462 -11.225 13.872 1.00 15.13 C ATOM 1840 O LEU B 3 19.594 -11.676 13.652 1.00 10.55 O ATOM 1841 CB LEU B 3 18.783 -10.311 16.221 1.00 22.03 C ATOM 1842 CG LEU B 3 18.275 -10.128 17.685 1.00 12.02 C ATOM 1843 CD1 LEU B 3 19.342 -9.461 18.565 1.00 52.43 C ATOM 1844 CD2 LEU B 3 16.960 -9.328 17.725 1.00 11.13 C ATOM 0 H LEU B 3 18.752 -12.987 16.008 1.00 4.15 H new ATOM 0 HA LEU B 3 16.895 -10.778 15.269 1.00 73.20 H new ATOM 0 HB2 LEU B 3 19.784 -10.740 16.255 1.00 22.03 H new ATOM 0 HB3 LEU B 3 18.874 -9.326 15.763 1.00 22.03 H new ATOM 0 HG LEU B 3 18.077 -11.121 18.088 1.00 12.02 H new ATOM 0 HD11 LEU B 3 18.958 -9.347 19.579 1.00 52.43 H new ATOM 0 HD12 LEU B 3 20.238 -10.081 18.584 1.00 52.43 H new ATOM 0 HD13 LEU B 3 19.588 -8.480 18.158 1.00 52.43 H new ATOM 0 HD21 LEU B 3 16.632 -9.218 18.759 1.00 11.13 H new ATOM 0 HD22 LEU B 3 17.120 -8.342 17.288 1.00 11.13 H new ATOM 0 HD23 LEU B 3 16.195 -9.857 17.156 1.00 11.13 H new ATOM 1856 N VAL B 4 17.655 -10.766 12.901 1.00 74.53 N ATOM 1857 CA VAL B 4 18.101 -10.546 11.515 1.00 3.33 C ATOM 1858 C VAL B 4 18.554 -9.079 11.358 1.00 32.34 C ATOM 1859 O VAL B 4 17.925 -8.156 11.893 1.00 34.35 O ATOM 1860 CB VAL B 4 16.990 -10.910 10.454 1.00 64.52 C ATOM 1861 CG1 VAL B 4 16.651 -12.420 10.503 1.00 42.30 C ATOM 1862 CG2 VAL B 4 15.718 -10.043 10.634 1.00 3.31 C ATOM 0 H VAL B 4 16.673 -10.537 13.055 1.00 74.53 H new ATOM 0 HA VAL B 4 18.938 -11.216 11.318 1.00 3.33 H new ATOM 0 HB VAL B 4 17.395 -10.687 9.467 1.00 64.52 H new ATOM 0 HG11 VAL B 4 15.883 -12.645 9.763 1.00 42.30 H new ATOM 0 HG12 VAL B 4 17.547 -13.001 10.285 1.00 42.30 H new ATOM 0 HG13 VAL B 4 16.284 -12.678 11.496 1.00 42.30 H new ATOM 0 HG21 VAL B 4 14.977 -10.324 9.885 1.00 3.31 H new ATOM 0 HG22 VAL B 4 15.306 -10.204 11.630 1.00 3.31 H new ATOM 0 HG23 VAL B 4 15.975 -8.991 10.513 1.00 3.31 H new ATOM 1872 N LYS B 5 19.668 -8.879 10.654 1.00 60.03 N ATOM 1873 CA LYS B 5 20.279 -7.559 10.464 1.00 30.31 C ATOM 1874 C LYS B 5 19.786 -6.977 9.133 1.00 61.24 C ATOM 1875 O LYS B 5 19.933 -7.614 8.086 1.00 32.04 O ATOM 1876 CB LYS B 5 21.822 -7.704 10.489 1.00 22.43 C ATOM 1877 CG LYS B 5 22.365 -8.416 11.752 1.00 45.11 C ATOM 1878 CD LYS B 5 23.899 -8.599 11.739 1.00 1.42 C ATOM 1879 CE LYS B 5 24.417 -9.255 13.025 1.00 31.52 C ATOM 1880 NZ LYS B 5 25.888 -9.471 12.993 1.00 5.54 N ATOM 0 H LYS B 5 20.178 -9.634 10.195 1.00 60.03 H new ATOM 0 HA LYS B 5 19.993 -6.878 11.265 1.00 30.31 H new ATOM 0 HB2 LYS B 5 22.139 -8.259 9.606 1.00 22.43 H new ATOM 0 HB3 LYS B 5 22.271 -6.713 10.421 1.00 22.43 H new ATOM 0 HG2 LYS B 5 22.082 -7.842 12.634 1.00 45.11 H new ATOM 0 HG3 LYS B 5 21.890 -9.393 11.842 1.00 45.11 H new ATOM 0 HD2 LYS B 5 24.183 -9.210 10.882 1.00 1.42 H new ATOM 0 HD3 LYS B 5 24.378 -7.628 11.611 1.00 1.42 H new ATOM 0 HE2 LYS B 5 24.162 -8.627 13.879 1.00 31.52 H new ATOM 0 HE3 LYS B 5 23.914 -10.211 13.171 1.00 31.52 H new ATOM 0 HZ1 LYS B 5 26.193 -9.916 13.882 1.00 5.54 H new ATOM 0 HZ2 LYS B 5 26.131 -10.091 12.194 1.00 5.54 H new ATOM 0 HZ3 LYS B 5 26.371 -8.557 12.880 1.00 5.54 H new ATOM 1894 N LEU B 6 19.153 -5.798 9.180 1.00 1.51 N ATOM 1895 CA LEU B 6 18.549 -5.164 7.996 1.00 44.23 C ATOM 1896 C LEU B 6 19.186 -3.798 7.763 1.00 33.02 C ATOM 1897 O LEU B 6 18.863 -2.834 8.464 1.00 70.41 O ATOM 1898 CB LEU B 6 17.011 -5.022 8.173 1.00 74.30 C ATOM 1899 CG LEU B 6 16.224 -6.336 8.450 1.00 11.35 C ATOM 1900 CD1 LEU B 6 14.725 -6.053 8.603 1.00 61.32 C ATOM 1901 CD2 LEU B 6 16.482 -7.402 7.365 1.00 15.44 C ATOM 0 H LEU B 6 19.044 -5.256 10.037 1.00 1.51 H new ATOM 0 HA LEU B 6 18.732 -5.796 7.127 1.00 44.23 H new ATOM 0 HB2 LEU B 6 16.824 -4.331 8.995 1.00 74.30 H new ATOM 0 HB3 LEU B 6 16.604 -4.563 7.272 1.00 74.30 H new ATOM 0 HG LEU B 6 16.591 -6.743 9.392 1.00 11.35 H new ATOM 0 HD11 LEU B 6 14.196 -6.986 8.796 1.00 61.32 H new ATOM 0 HD12 LEU B 6 14.567 -5.368 9.436 1.00 61.32 H new ATOM 0 HD13 LEU B 6 14.344 -5.603 7.686 1.00 61.32 H new ATOM 0 HD21 LEU B 6 15.914 -8.303 7.597 1.00 15.44 H new ATOM 0 HD22 LEU B 6 16.170 -7.016 6.394 1.00 15.44 H new ATOM 0 HD23 LEU B 6 17.545 -7.641 7.336 1.00 15.44 H new ATOM 1913 N GLU B 7 20.126 -3.720 6.809 1.00 23.42 N ATOM 1914 CA GLU B 7 20.707 -2.440 6.400 1.00 71.42 C ATOM 1915 C GLU B 7 19.713 -1.674 5.528 1.00 30.05 C ATOM 1916 O GLU B 7 18.946 -2.268 4.767 1.00 64.45 O ATOM 1917 CB GLU B 7 22.062 -2.606 5.660 1.00 54.10 C ATOM 1918 CG GLU B 7 23.228 -3.076 6.553 1.00 44.35 C ATOM 1919 CD GLU B 7 23.106 -4.536 7.020 1.00 12.42 C ATOM 1920 OE1 GLU B 7 23.567 -5.428 6.287 1.00 44.33 O ATOM 1921 OE2 GLU B 7 22.557 -4.800 8.118 1.00 12.33 O ATOM 0 H GLU B 7 20.497 -4.528 6.310 1.00 23.42 H new ATOM 0 HA GLU B 7 20.914 -1.873 7.308 1.00 71.42 H new ATOM 0 HB2 GLU B 7 21.932 -3.322 4.848 1.00 54.10 H new ATOM 0 HB3 GLU B 7 22.332 -1.653 5.205 1.00 54.10 H new ATOM 0 HG2 GLU B 7 24.163 -2.957 6.005 1.00 44.35 H new ATOM 0 HG3 GLU B 7 23.286 -2.429 7.428 1.00 44.35 H new ATOM 1928 N SER B 8 19.719 -0.356 5.681 1.00 62.05 N ATOM 1929 CA SER B 8 18.962 0.554 4.823 1.00 23.03 C ATOM 1930 C SER B 8 19.754 0.848 3.529 1.00 42.21 C ATOM 1931 O SER B 8 20.826 0.271 3.293 1.00 61.10 O ATOM 1932 CB SER B 8 18.682 1.842 5.623 1.00 13.42 C ATOM 1933 OG SER B 8 19.881 2.384 6.167 1.00 1.42 O ATOM 0 H SER B 8 20.253 0.118 6.409 1.00 62.05 H new ATOM 0 HA SER B 8 18.015 0.104 4.524 1.00 23.03 H new ATOM 0 HB2 SER B 8 18.208 2.579 4.975 1.00 13.42 H new ATOM 0 HB3 SER B 8 17.979 1.627 6.428 1.00 13.42 H new ATOM 0 HG SER B 8 19.708 2.717 7.072 1.00 1.42 H new ATOM 1939 N SER B 9 19.198 1.730 2.687 1.00 60.41 N ATOM 1940 CA SER B 9 19.904 2.306 1.524 1.00 63.24 C ATOM 1941 C SER B 9 21.115 3.142 1.997 1.00 71.22 C ATOM 1942 O SER B 9 22.123 3.266 1.290 1.00 70.31 O ATOM 1943 CB SER B 9 18.915 3.174 0.707 1.00 61.33 C ATOM 1944 OG SER B 9 19.489 3.649 -0.499 1.00 61.23 O ATOM 0 H SER B 9 18.241 2.068 2.790 1.00 60.41 H new ATOM 0 HA SER B 9 20.279 1.505 0.887 1.00 63.24 H new ATOM 0 HB2 SER B 9 18.025 2.589 0.478 1.00 61.33 H new ATOM 0 HB3 SER B 9 18.592 4.021 1.312 1.00 61.33 H new ATOM 0 HG SER B 9 18.831 4.190 -0.984 1.00 61.23 H new ATOM 1950 N ASP B 10 20.990 3.688 3.226 1.00 20.31 N ATOM 1951 CA ASP B 10 22.044 4.466 3.909 1.00 70.34 C ATOM 1952 C ASP B 10 23.052 3.528 4.642 1.00 55.40 C ATOM 1953 O ASP B 10 23.955 3.991 5.344 1.00 44.34 O ATOM 1954 CB ASP B 10 21.353 5.458 4.891 1.00 13.11 C ATOM 1955 CG ASP B 10 22.314 6.445 5.591 1.00 22.02 C ATOM 1956 OD1 ASP B 10 22.962 7.251 4.900 1.00 52.14 O ATOM 1957 OD2 ASP B 10 22.416 6.432 6.835 1.00 73.14 O ATOM 0 H ASP B 10 20.138 3.598 3.780 1.00 20.31 H new ATOM 0 HA ASP B 10 22.628 5.027 3.180 1.00 70.34 H new ATOM 0 HB2 ASP B 10 20.603 6.029 4.343 1.00 13.11 H new ATOM 0 HB3 ASP B 10 20.824 4.885 5.652 1.00 13.11 H new ATOM 1962 N GLU B 11 22.856 2.195 4.475 1.00 41.01 N ATOM 1963 CA GLU B 11 23.799 1.126 4.918 1.00 4.25 C ATOM 1964 C GLU B 11 23.895 0.989 6.460 1.00 14.23 C ATOM 1965 O GLU B 11 24.802 0.316 6.971 1.00 30.32 O ATOM 1966 CB GLU B 11 25.209 1.331 4.281 1.00 33.31 C ATOM 1967 CG GLU B 11 25.211 1.368 2.737 1.00 14.42 C ATOM 1968 CD GLU B 11 26.587 1.719 2.140 1.00 34.44 C ATOM 1969 OE1 GLU B 11 27.239 0.842 1.522 1.00 14.35 O ATOM 1970 OE2 GLU B 11 27.028 2.876 2.289 1.00 74.31 O ATOM 0 H GLU B 11 22.023 1.822 4.020 1.00 41.01 H new ATOM 0 HA GLU B 11 23.385 0.184 4.559 1.00 4.25 H new ATOM 0 HB2 GLU B 11 25.632 2.263 4.655 1.00 33.31 H new ATOM 0 HB3 GLU B 11 25.865 0.527 4.614 1.00 33.31 H new ATOM 0 HG2 GLU B 11 24.894 0.397 2.356 1.00 14.42 H new ATOM 0 HG3 GLU B 11 24.477 2.099 2.397 1.00 14.42 H new ATOM 1977 N LYS B 12 22.944 1.600 7.189 1.00 14.52 N ATOM 1978 CA LYS B 12 22.861 1.478 8.660 1.00 71.13 C ATOM 1979 C LYS B 12 22.240 0.127 9.038 1.00 44.10 C ATOM 1980 O LYS B 12 21.159 -0.198 8.553 1.00 41.04 O ATOM 1981 CB LYS B 12 22.021 2.637 9.267 1.00 15.50 C ATOM 1982 CG LYS B 12 22.674 4.029 9.182 1.00 13.51 C ATOM 1983 CD LYS B 12 24.023 4.101 9.931 1.00 41.53 C ATOM 1984 CE LYS B 12 24.621 5.518 9.941 1.00 54.40 C ATOM 1985 NZ LYS B 12 24.796 6.062 8.569 1.00 63.42 N ATOM 0 H LYS B 12 22.216 2.188 6.782 1.00 14.52 H new ATOM 0 HA LYS B 12 23.870 1.538 9.067 1.00 71.13 H new ATOM 0 HB2 LYS B 12 21.058 2.673 8.758 1.00 15.50 H new ATOM 0 HB3 LYS B 12 21.820 2.410 10.314 1.00 15.50 H new ATOM 0 HG2 LYS B 12 22.830 4.289 8.135 1.00 13.51 H new ATOM 0 HG3 LYS B 12 21.992 4.772 9.597 1.00 13.51 H new ATOM 0 HD2 LYS B 12 23.882 3.763 10.958 1.00 41.53 H new ATOM 0 HD3 LYS B 12 24.730 3.416 9.464 1.00 41.53 H new ATOM 0 HE2 LYS B 12 23.972 6.181 10.513 1.00 54.40 H new ATOM 0 HE3 LYS B 12 25.585 5.500 10.449 1.00 54.40 H new ATOM 0 HZ1 LYS B 12 25.279 6.982 8.619 1.00 63.42 H new ATOM 0 HZ2 LYS B 12 25.367 5.402 8.004 1.00 63.42 H new ATOM 0 HZ3 LYS B 12 23.865 6.184 8.122 1.00 63.42 H new ATOM 1999 N VAL B 13 22.933 -0.635 9.902 1.00 74.45 N ATOM 2000 CA VAL B 13 22.479 -1.955 10.378 1.00 33.12 C ATOM 2001 C VAL B 13 21.332 -1.783 11.398 1.00 55.44 C ATOM 2002 O VAL B 13 21.508 -1.121 12.429 1.00 55.11 O ATOM 2003 CB VAL B 13 23.662 -2.751 11.054 1.00 1.43 C ATOM 2004 CG1 VAL B 13 23.220 -4.173 11.490 1.00 73.21 C ATOM 2005 CG2 VAL B 13 24.909 -2.796 10.133 1.00 44.25 C ATOM 0 H VAL B 13 23.831 -0.351 10.293 1.00 74.45 H new ATOM 0 HA VAL B 13 22.125 -2.520 9.516 1.00 33.12 H new ATOM 0 HB VAL B 13 23.943 -2.213 11.959 1.00 1.43 H new ATOM 0 HG11 VAL B 13 24.061 -4.690 11.951 1.00 73.21 H new ATOM 0 HG12 VAL B 13 22.404 -4.096 12.208 1.00 73.21 H new ATOM 0 HG13 VAL B 13 22.884 -4.733 10.617 1.00 73.21 H new ATOM 0 HG21 VAL B 13 25.706 -3.351 10.627 1.00 44.25 H new ATOM 0 HG22 VAL B 13 24.651 -3.288 9.195 1.00 44.25 H new ATOM 0 HG23 VAL B 13 25.247 -1.780 9.928 1.00 44.25 H new ATOM 2015 N PHE B 14 20.158 -2.353 11.091 1.00 44.30 N ATOM 2016 CA PHE B 14 18.999 -2.380 12.000 1.00 63.11 C ATOM 2017 C PHE B 14 18.708 -3.829 12.396 1.00 64.40 C ATOM 2018 O PHE B 14 18.000 -4.559 11.687 1.00 52.22 O ATOM 2019 CB PHE B 14 17.768 -1.704 11.338 1.00 62.42 C ATOM 2020 CG PHE B 14 17.946 -0.204 11.128 1.00 24.11 C ATOM 2021 CD1 PHE B 14 18.447 0.311 9.931 1.00 14.22 C ATOM 2022 CD2 PHE B 14 17.614 0.697 12.137 1.00 51.21 C ATOM 2023 CE1 PHE B 14 18.612 1.668 9.754 1.00 75.33 C ATOM 2024 CE2 PHE B 14 17.784 2.053 11.957 1.00 20.14 C ATOM 2025 CZ PHE B 14 18.278 2.540 10.766 1.00 74.41 C ATOM 0 H PHE B 14 19.983 -2.813 10.197 1.00 44.30 H new ATOM 0 HA PHE B 14 19.225 -1.812 12.903 1.00 63.11 H new ATOM 0 HB2 PHE B 14 17.575 -2.178 10.376 1.00 62.42 H new ATOM 0 HB3 PHE B 14 16.889 -1.875 11.960 1.00 62.42 H new ATOM 0 HD1 PHE B 14 18.710 -0.365 9.131 1.00 14.22 H new ATOM 0 HD2 PHE B 14 17.218 0.329 13.072 1.00 51.21 H new ATOM 0 HE1 PHE B 14 19.003 2.047 8.822 1.00 75.33 H new ATOM 0 HE2 PHE B 14 17.529 2.737 12.753 1.00 20.14 H new ATOM 0 HZ PHE B 14 18.403 3.604 10.627 1.00 74.41 H new ATOM 2035 N GLU B 15 19.328 -4.252 13.507 1.00 70.11 N ATOM 2036 CA GLU B 15 19.122 -5.575 14.094 1.00 64.33 C ATOM 2037 C GLU B 15 17.727 -5.636 14.728 1.00 50.21 C ATOM 2038 O GLU B 15 17.468 -5.027 15.777 1.00 2.20 O ATOM 2039 CB GLU B 15 20.218 -5.886 15.140 1.00 25.14 C ATOM 2040 CG GLU B 15 21.644 -5.856 14.570 1.00 21.25 C ATOM 2041 CD GLU B 15 22.716 -6.264 15.588 1.00 44.33 C ATOM 2042 OE1 GLU B 15 23.260 -5.382 16.285 1.00 11.42 O ATOM 2043 OE2 GLU B 15 23.000 -7.474 15.714 1.00 12.34 O ATOM 0 H GLU B 15 19.992 -3.676 14.025 1.00 70.11 H new ATOM 0 HA GLU B 15 19.190 -6.330 13.311 1.00 64.33 H new ATOM 0 HB2 GLU B 15 20.146 -5.164 15.953 1.00 25.14 H new ATOM 0 HB3 GLU B 15 20.029 -6.870 15.569 1.00 25.14 H new ATOM 0 HG2 GLU B 15 21.698 -6.524 13.710 1.00 21.25 H new ATOM 0 HG3 GLU B 15 21.861 -4.851 14.208 1.00 21.25 H new ATOM 2050 N ILE B 16 16.833 -6.326 14.033 1.00 35.03 N ATOM 2051 CA ILE B 16 15.444 -6.531 14.434 1.00 60.41 C ATOM 2052 C ILE B 16 15.202 -8.028 14.576 1.00 0.20 C ATOM 2053 O ILE B 16 15.830 -8.840 13.885 1.00 43.54 O ATOM 2054 CB ILE B 16 14.468 -5.884 13.378 1.00 55.44 C ATOM 2055 CG1 ILE B 16 12.979 -5.931 13.834 1.00 44.41 C ATOM 2056 CG2 ILE B 16 14.638 -6.547 12.000 1.00 13.44 C ATOM 2057 CD1 ILE B 16 12.007 -5.253 12.879 1.00 42.13 C ATOM 0 H ILE B 16 17.060 -6.774 13.145 1.00 35.03 H new ATOM 0 HA ILE B 16 15.249 -6.045 15.390 1.00 60.41 H new ATOM 0 HB ILE B 16 14.741 -4.832 13.297 1.00 55.44 H new ATOM 0 HG12 ILE B 16 12.682 -6.973 13.956 1.00 44.41 H new ATOM 0 HG13 ILE B 16 12.896 -5.459 14.813 1.00 44.41 H new ATOM 0 HG21 ILE B 16 13.955 -6.085 11.287 1.00 13.44 H new ATOM 0 HG22 ILE B 16 15.664 -6.415 11.657 1.00 13.44 H new ATOM 0 HG23 ILE B 16 14.415 -7.611 12.078 1.00 13.44 H new ATOM 0 HD11 ILE B 16 10.994 -5.333 13.274 1.00 42.13 H new ATOM 0 HD12 ILE B 16 12.274 -4.201 12.774 1.00 42.13 H new ATOM 0 HD13 ILE B 16 12.056 -5.739 11.904 1.00 42.13 H new ATOM 2069 N GLU B 17 14.326 -8.390 15.505 1.00 12.41 N ATOM 2070 CA GLU B 17 13.950 -9.773 15.734 1.00 2.52 C ATOM 2071 C GLU B 17 13.197 -10.309 14.500 1.00 34.35 C ATOM 2072 O GLU B 17 12.355 -9.599 13.937 1.00 34.14 O ATOM 2073 CB GLU B 17 13.101 -9.854 17.019 1.00 75.43 C ATOM 2074 CG GLU B 17 12.853 -11.269 17.524 1.00 32.21 C ATOM 2075 CD GLU B 17 11.832 -11.345 18.671 1.00 2.45 C ATOM 2076 OE1 GLU B 17 10.621 -11.258 18.405 1.00 0.02 O ATOM 2077 OE2 GLU B 17 12.236 -11.517 19.838 1.00 32.24 O ATOM 0 H GLU B 17 13.856 -7.727 16.122 1.00 12.41 H new ATOM 0 HA GLU B 17 14.832 -10.398 15.875 1.00 2.52 H new ATOM 0 HB2 GLU B 17 13.598 -9.284 17.804 1.00 75.43 H new ATOM 0 HB3 GLU B 17 12.140 -9.374 16.835 1.00 75.43 H new ATOM 0 HG2 GLU B 17 12.502 -11.885 16.696 1.00 32.21 H new ATOM 0 HG3 GLU B 17 13.798 -11.696 17.861 1.00 32.21 H new ATOM 2084 N LYS B 18 13.523 -11.548 14.084 1.00 14.04 N ATOM 2085 CA LYS B 18 12.979 -12.173 12.863 1.00 53.11 C ATOM 2086 C LYS B 18 11.439 -12.280 12.917 1.00 71.54 C ATOM 2087 O LYS B 18 10.770 -12.145 11.894 1.00 35.13 O ATOM 2088 CB LYS B 18 13.620 -13.567 12.661 1.00 33.44 C ATOM 2089 CG LYS B 18 13.160 -14.304 11.382 1.00 41.22 C ATOM 2090 CD LYS B 18 13.794 -15.708 11.233 1.00 15.45 C ATOM 2091 CE LYS B 18 13.443 -16.650 12.399 1.00 62.14 C ATOM 2092 NZ LYS B 18 14.055 -17.997 12.233 1.00 73.14 N ATOM 0 H LYS B 18 14.176 -12.147 14.589 1.00 14.04 H new ATOM 0 HA LYS B 18 13.228 -11.538 12.013 1.00 53.11 H new ATOM 0 HB2 LYS B 18 14.704 -13.454 12.630 1.00 33.44 H new ATOM 0 HB3 LYS B 18 13.389 -14.188 13.526 1.00 33.44 H new ATOM 0 HG2 LYS B 18 12.074 -14.401 11.396 1.00 41.22 H new ATOM 0 HG3 LYS B 18 13.415 -13.702 10.510 1.00 41.22 H new ATOM 0 HD2 LYS B 18 13.458 -16.155 10.297 1.00 15.45 H new ATOM 0 HD3 LYS B 18 14.877 -15.607 11.167 1.00 15.45 H new ATOM 0 HE2 LYS B 18 13.785 -16.210 13.336 1.00 62.14 H new ATOM 0 HE3 LYS B 18 12.360 -16.750 12.470 1.00 62.14 H new ATOM 0 HZ1 LYS B 18 13.793 -18.599 13.040 1.00 73.14 H new ATOM 0 HZ2 LYS B 18 13.710 -18.429 11.352 1.00 73.14 H new ATOM 0 HZ3 LYS B 18 15.090 -17.905 12.191 1.00 73.14 H new ATOM 2106 N GLU B 19 10.913 -12.501 14.132 1.00 5.44 N ATOM 2107 CA GLU B 19 9.460 -12.532 14.418 1.00 34.32 C ATOM 2108 C GLU B 19 8.780 -11.181 14.066 1.00 13.30 C ATOM 2109 O GLU B 19 7.660 -11.150 13.546 1.00 30.45 O ATOM 2110 CB GLU B 19 9.270 -12.916 15.913 1.00 20.42 C ATOM 2111 CG GLU B 19 7.836 -12.806 16.483 1.00 14.14 C ATOM 2112 CD GLU B 19 7.674 -13.505 17.843 1.00 22.11 C ATOM 2113 OE1 GLU B 19 7.445 -12.832 18.869 1.00 15.13 O ATOM 2114 OE2 GLU B 19 7.800 -14.747 17.890 1.00 4.20 O ATOM 0 H GLU B 19 11.488 -12.666 14.958 1.00 5.44 H new ATOM 0 HA GLU B 19 8.972 -13.278 13.791 1.00 34.32 H new ATOM 0 HB2 GLU B 19 9.611 -13.943 16.046 1.00 20.42 H new ATOM 0 HB3 GLU B 19 9.924 -12.283 16.513 1.00 20.42 H new ATOM 0 HG2 GLU B 19 7.573 -11.754 16.588 1.00 14.14 H new ATOM 0 HG3 GLU B 19 7.134 -13.241 15.772 1.00 14.14 H new ATOM 2121 N ILE B 20 9.494 -10.073 14.313 1.00 35.24 N ATOM 2122 CA ILE B 20 9.015 -8.711 13.981 1.00 3.34 C ATOM 2123 C ILE B 20 9.258 -8.413 12.476 1.00 65.03 C ATOM 2124 O ILE B 20 8.515 -7.656 11.848 1.00 43.02 O ATOM 2125 CB ILE B 20 9.737 -7.616 14.852 1.00 11.24 C ATOM 2126 CG1 ILE B 20 9.866 -8.059 16.338 1.00 12.03 C ATOM 2127 CG2 ILE B 20 9.003 -6.260 14.747 1.00 13.24 C ATOM 2128 CD1 ILE B 20 10.581 -7.064 17.241 1.00 13.02 C ATOM 0 H ILE B 20 10.417 -10.089 14.747 1.00 35.24 H new ATOM 0 HA ILE B 20 7.948 -8.675 14.199 1.00 3.34 H new ATOM 0 HB ILE B 20 10.745 -7.494 14.456 1.00 11.24 H new ATOM 0 HG12 ILE B 20 8.868 -8.238 16.737 1.00 12.03 H new ATOM 0 HG13 ILE B 20 10.399 -9.009 16.374 1.00 12.03 H new ATOM 0 HG21 ILE B 20 9.519 -5.519 15.357 1.00 13.24 H new ATOM 0 HG22 ILE B 20 8.993 -5.931 13.708 1.00 13.24 H new ATOM 0 HG23 ILE B 20 7.979 -6.372 15.102 1.00 13.24 H new ATOM 0 HD11 ILE B 20 10.623 -7.459 18.256 1.00 13.02 H new ATOM 0 HD12 ILE B 20 11.594 -6.901 16.873 1.00 13.02 H new ATOM 0 HD13 ILE B 20 10.039 -6.118 17.241 1.00 13.02 H new ATOM 2140 N ALA B 21 10.318 -9.024 11.915 1.00 64.13 N ATOM 2141 CA ALA B 21 10.668 -8.905 10.480 1.00 33.24 C ATOM 2142 C ALA B 21 9.699 -9.718 9.594 1.00 4.32 C ATOM 2143 O ALA B 21 9.600 -9.476 8.386 1.00 72.32 O ATOM 2144 CB ALA B 21 12.119 -9.348 10.255 1.00 54.44 C ATOM 0 H ALA B 21 10.960 -9.616 12.442 1.00 64.13 H new ATOM 0 HA ALA B 21 10.572 -7.859 10.190 1.00 33.24 H new ATOM 0 HB1 ALA B 21 12.367 -9.257 9.198 1.00 54.44 H new ATOM 0 HB2 ALA B 21 12.787 -8.716 10.840 1.00 54.44 H new ATOM 0 HB3 ALA B 21 12.235 -10.386 10.567 1.00 54.44 H new ATOM 2150 N CYS B 22 8.997 -10.684 10.218 1.00 50.34 N ATOM 2151 CA CYS B 22 7.936 -11.469 9.567 1.00 74.53 C ATOM 2152 C CYS B 22 6.659 -10.628 9.354 1.00 64.42 C ATOM 2153 O CYS B 22 5.841 -10.965 8.503 1.00 15.13 O ATOM 2154 CB CYS B 22 7.629 -12.741 10.383 1.00 22.21 C ATOM 2155 SG CYS B 22 9.004 -13.914 10.457 1.00 12.52 S ATOM 0 H CYS B 22 9.153 -10.941 11.193 1.00 50.34 H new ATOM 0 HA CYS B 22 8.296 -11.768 8.583 1.00 74.53 H new ATOM 0 HB2 CYS B 22 7.355 -12.453 11.398 1.00 22.21 H new ATOM 0 HB3 CYS B 22 6.762 -13.239 9.949 1.00 22.21 H new ATOM 0 HG CYS B 22 9.974 -13.402 11.154 1.00 12.52 H new ATOM 2161 N MET B 23 6.493 -9.546 10.152 1.00 34.25 N ATOM 2162 CA MET B 23 5.393 -8.563 9.969 1.00 24.52 C ATOM 2163 C MET B 23 5.526 -7.859 8.600 1.00 33.30 C ATOM 2164 O MET B 23 4.532 -7.501 7.955 1.00 60.33 O ATOM 2165 CB MET B 23 5.404 -7.516 11.117 1.00 25.51 C ATOM 2166 CG MET B 23 5.195 -8.096 12.526 1.00 71.32 C ATOM 2167 SD MET B 23 5.356 -6.853 13.832 1.00 40.11 S ATOM 2168 CE MET B 23 4.082 -5.666 13.382 1.00 40.42 C ATOM 0 H MET B 23 7.111 -9.329 10.934 1.00 34.25 H new ATOM 0 HA MET B 23 4.443 -9.097 9.996 1.00 24.52 H new ATOM 0 HB2 MET B 23 6.356 -6.986 11.096 1.00 25.51 H new ATOM 0 HB3 MET B 23 4.624 -6.779 10.924 1.00 25.51 H new ATOM 0 HG2 MET B 23 4.205 -8.550 12.583 1.00 71.32 H new ATOM 0 HG3 MET B 23 5.921 -8.891 12.697 1.00 71.32 H new ATOM 0 HE1 MET B 23 3.602 -5.288 14.285 1.00 40.42 H new ATOM 0 HE2 MET B 23 4.533 -4.837 12.837 1.00 40.42 H new ATOM 0 HE3 MET B 23 3.338 -6.153 12.752 1.00 40.42 H new ATOM 2178 N SER B 24 6.781 -7.685 8.173 1.00 10.23 N ATOM 2179 CA SER B 24 7.124 -7.213 6.831 1.00 2.20 C ATOM 2180 C SER B 24 7.058 -8.404 5.867 1.00 55.32 C ATOM 2181 O SER B 24 7.861 -9.323 6.001 1.00 55.03 O ATOM 2182 CB SER B 24 8.545 -6.599 6.851 1.00 1.34 C ATOM 2183 OG SER B 24 8.907 -6.083 5.583 1.00 75.02 O ATOM 0 H SER B 24 7.596 -7.871 8.758 1.00 10.23 H new ATOM 0 HA SER B 24 6.424 -6.445 6.502 1.00 2.20 H new ATOM 0 HB2 SER B 24 8.588 -5.803 7.594 1.00 1.34 H new ATOM 0 HB3 SER B 24 9.266 -7.358 7.155 1.00 1.34 H new ATOM 0 HG SER B 24 8.099 -5.925 5.051 1.00 75.02 H new ATOM 2189 N VAL B 25 6.082 -8.410 4.928 1.00 23.14 N ATOM 2190 CA VAL B 25 5.886 -9.546 3.997 1.00 62.22 C ATOM 2191 C VAL B 25 7.106 -9.702 3.057 1.00 23.04 C ATOM 2192 O VAL B 25 7.535 -10.820 2.794 1.00 14.25 O ATOM 2193 CB VAL B 25 4.563 -9.417 3.144 1.00 2.24 C ATOM 2194 CG1 VAL B 25 4.324 -10.669 2.258 1.00 2.05 C ATOM 2195 CG2 VAL B 25 3.338 -9.118 4.042 1.00 24.13 C ATOM 0 H VAL B 25 5.421 -7.644 4.796 1.00 23.14 H new ATOM 0 HA VAL B 25 5.787 -10.438 4.616 1.00 62.22 H new ATOM 0 HB VAL B 25 4.694 -8.568 2.473 1.00 2.24 H new ATOM 0 HG11 VAL B 25 3.404 -10.541 1.687 1.00 2.05 H new ATOM 0 HG12 VAL B 25 5.162 -10.795 1.572 1.00 2.05 H new ATOM 0 HG13 VAL B 25 4.238 -11.552 2.891 1.00 2.05 H new ATOM 0 HG21 VAL B 25 2.445 -9.035 3.423 1.00 24.13 H new ATOM 0 HG22 VAL B 25 3.208 -9.927 4.761 1.00 24.13 H new ATOM 0 HG23 VAL B 25 3.498 -8.181 4.575 1.00 24.13 H new ATOM 2205 N THR B 26 7.667 -8.565 2.590 1.00 55.21 N ATOM 2206 CA THR B 26 8.860 -8.548 1.705 1.00 34.02 C ATOM 2207 C THR B 26 10.084 -9.194 2.394 1.00 74.12 C ATOM 2208 O THR B 26 10.701 -10.109 1.842 1.00 43.41 O ATOM 2209 CB THR B 26 9.206 -7.086 1.255 1.00 22.15 C ATOM 2210 OG1 THR B 26 8.101 -6.535 0.525 1.00 74.54 O ATOM 2211 CG2 THR B 26 10.481 -6.998 0.383 1.00 23.12 C ATOM 0 H THR B 26 7.310 -7.636 2.813 1.00 55.21 H new ATOM 0 HA THR B 26 8.615 -9.137 0.821 1.00 34.02 H new ATOM 0 HB THR B 26 9.399 -6.517 2.165 1.00 22.15 H new ATOM 0 HG1 THR B 26 8.303 -5.609 0.275 1.00 74.54 H new ATOM 0 HG21 THR B 26 10.662 -5.959 0.107 1.00 23.12 H new ATOM 0 HG22 THR B 26 11.334 -7.378 0.946 1.00 23.12 H new ATOM 0 HG23 THR B 26 10.347 -7.595 -0.519 1.00 23.12 H new ATOM 2219 N ILE B 27 10.395 -8.728 3.618 1.00 62.14 N ATOM 2220 CA ILE B 27 11.570 -9.194 4.390 1.00 44.24 C ATOM 2221 C ILE B 27 11.371 -10.659 4.845 1.00 55.33 C ATOM 2222 O ILE B 27 12.321 -11.449 4.852 1.00 73.11 O ATOM 2223 CB ILE B 27 11.832 -8.242 5.613 1.00 23.14 C ATOM 2224 CG1 ILE B 27 12.086 -6.779 5.104 1.00 23.05 C ATOM 2225 CG2 ILE B 27 13.003 -8.747 6.498 1.00 50.24 C ATOM 2226 CD1 ILE B 27 12.127 -5.717 6.190 1.00 51.52 C ATOM 0 H ILE B 27 9.843 -8.020 4.101 1.00 62.14 H new ATOM 0 HA ILE B 27 12.450 -9.163 3.748 1.00 44.24 H new ATOM 0 HB ILE B 27 10.943 -8.243 6.244 1.00 23.14 H new ATOM 0 HG12 ILE B 27 13.031 -6.759 4.562 1.00 23.05 H new ATOM 0 HG13 ILE B 27 11.304 -6.518 4.391 1.00 23.05 H new ATOM 0 HG21 ILE B 27 13.151 -8.061 7.332 1.00 50.24 H new ATOM 0 HG22 ILE B 27 12.767 -9.739 6.882 1.00 50.24 H new ATOM 0 HG23 ILE B 27 13.914 -8.796 5.902 1.00 50.24 H new ATOM 0 HD11 ILE B 27 12.307 -4.742 5.738 1.00 51.52 H new ATOM 0 HD12 ILE B 27 11.174 -5.701 6.720 1.00 51.52 H new ATOM 0 HD13 ILE B 27 12.929 -5.946 6.892 1.00 51.52 H new ATOM 2238 N LYS B 28 10.111 -11.006 5.171 1.00 11.52 N ATOM 2239 CA LYS B 28 9.685 -12.387 5.490 1.00 64.42 C ATOM 2240 C LYS B 28 9.989 -13.326 4.303 1.00 35.23 C ATOM 2241 O LYS B 28 10.599 -14.385 4.482 1.00 5.30 O ATOM 2242 CB LYS B 28 8.169 -12.396 5.821 1.00 75.21 C ATOM 2243 CG LYS B 28 7.576 -13.761 6.219 1.00 42.44 C ATOM 2244 CD LYS B 28 6.063 -13.663 6.542 1.00 1.14 C ATOM 2245 CE LYS B 28 5.436 -15.013 6.913 1.00 55.12 C ATOM 2246 NZ LYS B 28 5.472 -15.978 5.781 1.00 50.33 N ATOM 0 H LYS B 28 9.350 -10.329 5.221 1.00 11.52 H new ATOM 0 HA LYS B 28 10.239 -12.746 6.358 1.00 64.42 H new ATOM 0 HB2 LYS B 28 7.990 -11.693 6.634 1.00 75.21 H new ATOM 0 HB3 LYS B 28 7.625 -12.024 4.953 1.00 75.21 H new ATOM 0 HG2 LYS B 28 7.729 -14.473 5.408 1.00 42.44 H new ATOM 0 HG3 LYS B 28 8.108 -14.148 7.088 1.00 42.44 H new ATOM 0 HD2 LYS B 28 5.918 -12.964 7.366 1.00 1.14 H new ATOM 0 HD3 LYS B 28 5.540 -13.251 5.679 1.00 1.14 H new ATOM 0 HE2 LYS B 28 5.966 -15.436 7.766 1.00 55.12 H new ATOM 0 HE3 LYS B 28 4.403 -14.859 7.224 1.00 55.12 H new ATOM 0 HZ1 LYS B 28 4.522 -16.375 5.633 1.00 50.33 H new ATOM 0 HZ2 LYS B 28 5.781 -15.488 4.917 1.00 50.33 H new ATOM 0 HZ3 LYS B 28 6.138 -16.746 6.000 1.00 50.33 H new ATOM 2260 N ASN B 29 9.608 -12.870 3.089 1.00 51.13 N ATOM 2261 CA ASN B 29 9.834 -13.604 1.822 1.00 50.32 C ATOM 2262 C ASN B 29 11.333 -13.770 1.537 1.00 55.45 C ATOM 2263 O ASN B 29 11.741 -14.789 0.990 1.00 21.14 O ATOM 2264 CB ASN B 29 9.155 -12.886 0.611 1.00 43.31 C ATOM 2265 CG ASN B 29 7.619 -12.949 0.622 1.00 73.30 C ATOM 2266 OD1 ASN B 29 7.021 -13.907 1.118 1.00 54.31 O ATOM 2267 ND2 ASN B 29 6.967 -11.934 0.060 1.00 2.54 N ATOM 0 H ASN B 29 9.132 -11.977 2.959 1.00 51.13 H new ATOM 0 HA ASN B 29 9.381 -14.588 1.944 1.00 50.32 H new ATOM 0 HB2 ASN B 29 9.465 -11.841 0.602 1.00 43.31 H new ATOM 0 HB3 ASN B 29 9.519 -13.334 -0.314 1.00 43.31 H new ATOM 0 HD21 ASN B 29 5.947 -11.936 0.032 1.00 2.54 H new ATOM 0 HD22 ASN B 29 7.487 -11.154 -0.343 1.00 2.54 H new ATOM 2274 N MET B 30 12.142 -12.751 1.904 1.00 24.45 N ATOM 2275 CA MET B 30 13.612 -12.782 1.711 1.00 20.34 C ATOM 2276 C MET B 30 14.241 -13.908 2.548 1.00 23.12 C ATOM 2277 O MET B 30 15.027 -14.711 2.037 1.00 23.32 O ATOM 2278 CB MET B 30 14.265 -11.421 2.086 1.00 10.54 C ATOM 2279 CG MET B 30 13.843 -10.240 1.204 1.00 15.41 C ATOM 2280 SD MET B 30 14.181 -10.523 -0.548 1.00 40.24 S ATOM 2281 CE MET B 30 13.546 -9.013 -1.281 1.00 0.33 C ATOM 0 H MET B 30 11.801 -11.893 2.337 1.00 24.45 H new ATOM 0 HA MET B 30 13.799 -12.971 0.654 1.00 20.34 H new ATOM 0 HB2 MET B 30 14.018 -11.189 3.122 1.00 10.54 H new ATOM 0 HB3 MET B 30 15.349 -11.527 2.033 1.00 10.54 H new ATOM 0 HG2 MET B 30 12.778 -10.054 1.339 1.00 15.41 H new ATOM 0 HG3 MET B 30 14.368 -9.342 1.531 1.00 15.41 H new ATOM 0 HE1 MET B 30 13.687 -9.046 -2.361 1.00 0.33 H new ATOM 0 HE2 MET B 30 12.484 -8.918 -1.056 1.00 0.33 H new ATOM 0 HE3 MET B 30 14.081 -8.157 -0.871 1.00 0.33 H new ATOM 2291 N ILE B 31 13.836 -13.968 3.833 1.00 20.41 N ATOM 2292 CA ILE B 31 14.354 -14.946 4.810 1.00 31.32 C ATOM 2293 C ILE B 31 13.944 -16.382 4.415 1.00 4.53 C ATOM 2294 O ILE B 31 14.765 -17.297 4.461 1.00 40.33 O ATOM 2295 CB ILE B 31 13.853 -14.612 6.272 1.00 13.43 C ATOM 2296 CG1 ILE B 31 14.302 -13.168 6.678 1.00 63.41 C ATOM 2297 CG2 ILE B 31 14.354 -15.661 7.309 1.00 75.32 C ATOM 2298 CD1 ILE B 31 13.702 -12.643 7.972 1.00 23.34 C ATOM 0 H ILE B 31 13.137 -13.336 4.223 1.00 20.41 H new ATOM 0 HA ILE B 31 15.442 -14.881 4.802 1.00 31.32 H new ATOM 0 HB ILE B 31 12.764 -14.656 6.272 1.00 13.43 H new ATOM 0 HG12 ILE B 31 15.388 -13.155 6.768 1.00 63.41 H new ATOM 0 HG13 ILE B 31 14.041 -12.483 5.871 1.00 63.41 H new ATOM 0 HG21 ILE B 31 13.988 -15.395 8.301 1.00 75.32 H new ATOM 0 HG22 ILE B 31 13.981 -16.648 7.037 1.00 75.32 H new ATOM 0 HG23 ILE B 31 15.444 -15.674 7.316 1.00 75.32 H new ATOM 0 HD11 ILE B 31 14.075 -11.637 8.164 1.00 23.34 H new ATOM 0 HD12 ILE B 31 12.616 -12.617 7.885 1.00 23.34 H new ATOM 0 HD13 ILE B 31 13.984 -13.298 8.796 1.00 23.34 H new ATOM 2310 N GLU B 32 12.671 -16.543 3.997 1.00 62.34 N ATOM 2311 CA GLU B 32 12.098 -17.852 3.593 1.00 4.15 C ATOM 2312 C GLU B 32 12.660 -18.332 2.242 1.00 73.31 C ATOM 2313 O GLU B 32 12.769 -19.540 2.011 1.00 22.30 O ATOM 2314 CB GLU B 32 10.548 -17.775 3.531 1.00 13.44 C ATOM 2315 CG GLU B 32 9.885 -17.440 4.882 1.00 53.34 C ATOM 2316 CD GLU B 32 8.359 -17.317 4.793 1.00 74.05 C ATOM 2317 OE1 GLU B 32 7.631 -18.081 5.475 1.00 71.35 O ATOM 2318 OE2 GLU B 32 7.871 -16.446 4.041 1.00 32.43 O ATOM 0 H GLU B 32 12.008 -15.771 3.929 1.00 62.34 H new ATOM 0 HA GLU B 32 12.388 -18.580 4.351 1.00 4.15 H new ATOM 0 HB2 GLU B 32 10.260 -17.020 2.799 1.00 13.44 H new ATOM 0 HB3 GLU B 32 10.161 -18.729 3.174 1.00 13.44 H new ATOM 0 HG2 GLU B 32 10.139 -18.215 5.606 1.00 53.34 H new ATOM 0 HG3 GLU B 32 10.297 -16.504 5.259 1.00 53.34 H new ATOM 2325 N ASP B 33 13.012 -17.376 1.364 1.00 20.44 N ATOM 2326 CA ASP B 33 13.591 -17.668 0.029 1.00 54.35 C ATOM 2327 C ASP B 33 15.003 -18.262 0.169 1.00 15.14 C ATOM 2328 O ASP B 33 15.352 -19.244 -0.494 1.00 33.13 O ATOM 2329 CB ASP B 33 13.635 -16.375 -0.826 1.00 2.22 C ATOM 2330 CG ASP B 33 14.219 -16.588 -2.230 1.00 43.21 C ATOM 2331 OD1 ASP B 33 13.475 -17.042 -3.129 1.00 60.43 O ATOM 2332 OD2 ASP B 33 15.414 -16.286 -2.451 1.00 34.13 O ATOM 0 H ASP B 33 12.906 -16.379 1.554 1.00 20.44 H new ATOM 0 HA ASP B 33 12.958 -18.401 -0.471 1.00 54.35 H new ATOM 0 HB2 ASP B 33 12.625 -15.975 -0.918 1.00 2.22 H new ATOM 0 HB3 ASP B 33 14.229 -15.624 -0.304 1.00 2.22 H new ATOM 2337 N ILE B 34 15.796 -17.637 1.050 1.00 14.13 N ATOM 2338 CA ILE B 34 17.136 -18.124 1.434 1.00 62.15 C ATOM 2339 C ILE B 34 17.001 -19.360 2.358 1.00 61.01 C ATOM 2340 O ILE B 34 17.915 -20.188 2.456 1.00 4.24 O ATOM 2341 CB ILE B 34 17.944 -16.968 2.153 1.00 70.43 C ATOM 2342 CG1 ILE B 34 18.003 -15.698 1.240 1.00 62.03 C ATOM 2343 CG2 ILE B 34 19.374 -17.421 2.555 1.00 25.42 C ATOM 2344 CD1 ILE B 34 18.636 -14.475 1.883 1.00 75.54 C ATOM 0 H ILE B 34 15.528 -16.773 1.522 1.00 14.13 H new ATOM 0 HA ILE B 34 17.684 -18.421 0.540 1.00 62.15 H new ATOM 0 HB ILE B 34 17.415 -16.719 3.073 1.00 70.43 H new ATOM 0 HG12 ILE B 34 18.560 -15.944 0.336 1.00 62.03 H new ATOM 0 HG13 ILE B 34 16.989 -15.444 0.930 1.00 62.03 H new ATOM 0 HG21 ILE B 34 19.892 -16.597 3.045 1.00 25.42 H new ATOM 0 HG22 ILE B 34 19.309 -18.267 3.239 1.00 25.42 H new ATOM 0 HG23 ILE B 34 19.926 -17.718 1.663 1.00 25.42 H new ATOM 0 HD11 ILE B 34 18.631 -13.647 1.174 1.00 75.54 H new ATOM 0 HD12 ILE B 34 18.068 -14.196 2.770 1.00 75.54 H new ATOM 0 HD13 ILE B 34 19.663 -14.704 2.167 1.00 75.54 H new ATOM 2356 N GLY B 35 15.823 -19.484 2.999 1.00 24.24 N ATOM 2357 CA GLY B 35 15.558 -20.523 3.985 1.00 35.32 C ATOM 2358 C GLY B 35 16.051 -20.080 5.346 1.00 23.22 C ATOM 2359 O GLY B 35 15.261 -19.686 6.217 1.00 64.34 O ATOM 0 H GLY B 35 15.033 -18.859 2.840 1.00 24.24 H new ATOM 0 HA2 GLY B 35 14.489 -20.733 4.026 1.00 35.32 H new ATOM 0 HA3 GLY B 35 16.054 -21.449 3.693 1.00 35.32 H new ATOM 2363 N GLU B 36 17.375 -20.100 5.502 1.00 75.01 N ATOM 2364 CA GLU B 36 18.067 -19.609 6.694 1.00 32.22 C ATOM 2365 C GLU B 36 18.930 -18.409 6.278 1.00 63.12 C ATOM 2366 O GLU B 36 20.029 -18.584 5.734 1.00 62.43 O ATOM 2367 CB GLU B 36 18.925 -20.752 7.300 1.00 31.43 C ATOM 2368 CG GLU B 36 18.112 -22.008 7.680 1.00 53.41 C ATOM 2369 CD GLU B 36 18.981 -23.240 7.967 1.00 75.42 C ATOM 2370 OE1 GLU B 36 19.351 -23.472 9.137 1.00 73.40 O ATOM 2371 OE2 GLU B 36 19.300 -23.986 7.013 1.00 75.53 O ATOM 0 H GLU B 36 18.008 -20.465 4.790 1.00 75.01 H new ATOM 0 HA GLU B 36 17.360 -19.289 7.460 1.00 32.22 H new ATOM 0 HB2 GLU B 36 19.697 -21.033 6.583 1.00 31.43 H new ATOM 0 HB3 GLU B 36 19.435 -20.379 8.188 1.00 31.43 H new ATOM 0 HG2 GLU B 36 17.508 -21.787 8.560 1.00 53.41 H new ATOM 0 HG3 GLU B 36 17.421 -22.242 6.870 1.00 53.41 H new ATOM 2378 N SER B 37 18.397 -17.191 6.475 1.00 24.14 N ATOM 2379 CA SER B 37 19.089 -15.954 6.102 1.00 14.54 C ATOM 2380 C SER B 37 20.136 -15.592 7.171 1.00 32.22 C ATOM 2381 O SER B 37 19.867 -14.800 8.086 1.00 32.33 O ATOM 2382 CB SER B 37 18.066 -14.813 5.887 1.00 2.24 C ATOM 2383 OG SER B 37 18.682 -13.631 5.399 1.00 55.54 O ATOM 0 H SER B 37 17.480 -17.041 6.895 1.00 24.14 H new ATOM 0 HA SER B 37 19.616 -16.103 5.160 1.00 14.54 H new ATOM 0 HB2 SER B 37 17.301 -15.140 5.183 1.00 2.24 H new ATOM 0 HB3 SER B 37 17.561 -14.597 6.829 1.00 2.24 H new ATOM 0 HG SER B 37 19.403 -13.363 6.006 1.00 55.54 H new ATOM 2389 N ASP B 38 21.313 -16.233 7.069 1.00 60.23 N ATOM 2390 CA ASP B 38 22.488 -15.920 7.909 1.00 20.12 C ATOM 2391 C ASP B 38 23.085 -14.587 7.459 1.00 21.44 C ATOM 2392 O ASP B 38 23.617 -13.820 8.271 1.00 62.15 O ATOM 2393 CB ASP B 38 23.562 -17.042 7.802 1.00 2.01 C ATOM 2394 CG ASP B 38 23.117 -18.364 8.446 1.00 42.35 C ATOM 2395 OD1 ASP B 38 23.495 -18.629 9.606 1.00 70.53 O ATOM 2396 OD2 ASP B 38 22.375 -19.139 7.801 1.00 71.53 O ATOM 0 H ASP B 38 21.479 -16.985 6.401 1.00 60.23 H new ATOM 0 HA ASP B 38 22.169 -15.853 8.949 1.00 20.12 H new ATOM 0 HB2 ASP B 38 23.794 -17.216 6.751 1.00 2.01 H new ATOM 0 HB3 ASP B 38 24.482 -16.703 8.279 1.00 2.01 H new ATOM 2401 N SER B 39 22.966 -14.328 6.147 1.00 4.21 N ATOM 2402 CA SER B 39 23.394 -13.079 5.529 1.00 24.02 C ATOM 2403 C SER B 39 22.389 -11.966 5.892 1.00 3.12 C ATOM 2404 O SER B 39 21.176 -12.223 5.911 1.00 41.44 O ATOM 2405 CB SER B 39 23.468 -13.249 3.994 1.00 61.33 C ATOM 2406 OG SER B 39 24.345 -14.306 3.629 1.00 53.01 O ATOM 0 H SER B 39 22.565 -14.992 5.485 1.00 4.21 H new ATOM 0 HA SER B 39 24.384 -12.808 5.897 1.00 24.02 H new ATOM 0 HB2 SER B 39 22.471 -13.449 3.601 1.00 61.33 H new ATOM 0 HB3 SER B 39 23.809 -12.319 3.540 1.00 61.33 H new ATOM 0 HG SER B 39 24.369 -14.389 2.653 1.00 53.01 H new ATOM 2412 N PRO B 40 22.867 -10.732 6.210 1.00 51.15 N ATOM 2413 CA PRO B 40 21.969 -9.584 6.463 1.00 11.15 C ATOM 2414 C PRO B 40 21.271 -9.121 5.163 1.00 32.10 C ATOM 2415 O PRO B 40 21.867 -9.183 4.081 1.00 33.40 O ATOM 2416 CB PRO B 40 22.929 -8.512 7.023 1.00 33.44 C ATOM 2417 CG PRO B 40 24.266 -8.846 6.440 1.00 65.42 C ATOM 2418 CD PRO B 40 24.306 -10.355 6.367 1.00 21.42 C ATOM 0 HA PRO B 40 21.151 -9.813 7.146 1.00 11.15 H new ATOM 0 HB2 PRO B 40 22.612 -7.510 6.735 1.00 33.44 H new ATOM 0 HB3 PRO B 40 22.956 -8.537 8.112 1.00 33.44 H new ATOM 0 HG2 PRO B 40 24.386 -8.402 5.452 1.00 65.42 H new ATOM 0 HG3 PRO B 40 25.074 -8.461 7.063 1.00 65.42 H new ATOM 0 HD2 PRO B 40 24.906 -10.701 5.525 1.00 21.42 H new ATOM 0 HD3 PRO B 40 24.739 -10.790 7.268 1.00 21.42 H new ATOM 2426 N ILE B 41 19.998 -8.695 5.271 1.00 51.12 N ATOM 2427 CA ILE B 41 19.197 -8.265 4.116 1.00 4.02 C ATOM 2428 C ILE B 41 19.244 -6.723 4.001 1.00 71.43 C ATOM 2429 O ILE B 41 18.620 -6.029 4.810 1.00 35.24 O ATOM 2430 CB ILE B 41 17.700 -8.769 4.234 1.00 44.23 C ATOM 2431 CG1 ILE B 41 17.634 -10.328 4.373 1.00 20.55 C ATOM 2432 CG2 ILE B 41 16.834 -8.289 3.045 1.00 32.32 C ATOM 2433 CD1 ILE B 41 18.213 -11.106 3.198 1.00 24.41 C ATOM 0 H ILE B 41 19.500 -8.640 6.160 1.00 51.12 H new ATOM 0 HA ILE B 41 19.621 -8.708 3.215 1.00 4.02 H new ATOM 0 HB ILE B 41 17.287 -8.328 5.141 1.00 44.23 H new ATOM 0 HG12 ILE B 41 18.165 -10.619 5.279 1.00 20.55 H new ATOM 0 HG13 ILE B 41 16.593 -10.622 4.506 1.00 20.55 H new ATOM 0 HG21 ILE B 41 15.815 -8.657 3.165 1.00 32.32 H new ATOM 0 HG22 ILE B 41 16.826 -7.199 3.017 1.00 32.32 H new ATOM 0 HG23 ILE B 41 17.250 -8.672 2.113 1.00 32.32 H new ATOM 0 HD11 ILE B 41 18.121 -12.175 3.389 1.00 24.41 H new ATOM 0 HD12 ILE B 41 17.668 -10.851 2.289 1.00 24.41 H new ATOM 0 HD13 ILE B 41 19.265 -10.849 3.074 1.00 24.41 H new ATOM 2445 N PRO B 42 20.017 -6.153 3.017 1.00 45.44 N ATOM 2446 CA PRO B 42 20.003 -4.707 2.749 1.00 21.42 C ATOM 2447 C PRO B 42 18.787 -4.312 1.879 1.00 4.24 C ATOM 2448 O PRO B 42 18.329 -5.091 1.026 1.00 60.21 O ATOM 2449 CB PRO B 42 21.348 -4.477 2.024 1.00 51.03 C ATOM 2450 CG PRO B 42 21.594 -5.752 1.273 1.00 33.51 C ATOM 2451 CD PRO B 42 20.969 -6.862 2.109 1.00 42.11 C ATOM 0 HA PRO B 42 19.904 -4.096 3.646 1.00 21.42 H new ATOM 0 HB2 PRO B 42 21.294 -3.623 1.349 1.00 51.03 H new ATOM 0 HB3 PRO B 42 22.151 -4.273 2.732 1.00 51.03 H new ATOM 0 HG2 PRO B 42 21.146 -5.712 0.280 1.00 33.51 H new ATOM 0 HG3 PRO B 42 22.662 -5.923 1.134 1.00 33.51 H new ATOM 0 HD2 PRO B 42 20.453 -7.589 1.482 1.00 42.11 H new ATOM 0 HD3 PRO B 42 21.725 -7.408 2.674 1.00 42.11 H new ATOM 2459 N LEU B 43 18.255 -3.111 2.132 1.00 62.12 N ATOM 2460 CA LEU B 43 17.110 -2.543 1.406 1.00 61.33 C ATOM 2461 C LEU B 43 17.581 -1.249 0.687 1.00 31.01 C ATOM 2462 O LEU B 43 17.501 -0.160 1.268 1.00 13.10 O ATOM 2463 CB LEU B 43 15.913 -2.251 2.383 1.00 24.01 C ATOM 2464 CG LEU B 43 15.191 -3.480 3.064 1.00 63.05 C ATOM 2465 CD1 LEU B 43 14.820 -4.571 2.036 1.00 21.21 C ATOM 2466 CD2 LEU B 43 15.996 -4.052 4.255 1.00 40.33 C ATOM 0 H LEU B 43 18.614 -2.494 2.860 1.00 62.12 H new ATOM 0 HA LEU B 43 16.747 -3.258 0.668 1.00 61.33 H new ATOM 0 HB2 LEU B 43 16.281 -1.600 3.176 1.00 24.01 H new ATOM 0 HB3 LEU B 43 15.161 -1.687 1.830 1.00 24.01 H new ATOM 0 HG LEU B 43 14.256 -3.102 3.479 1.00 63.05 H new ATOM 0 HD11 LEU B 43 14.326 -5.398 2.546 1.00 21.21 H new ATOM 0 HD12 LEU B 43 14.147 -4.152 1.287 1.00 21.21 H new ATOM 0 HD13 LEU B 43 15.725 -4.934 1.548 1.00 21.21 H new ATOM 0 HD21 LEU B 43 15.456 -4.894 4.688 1.00 40.33 H new ATOM 0 HD22 LEU B 43 16.973 -4.387 3.906 1.00 40.33 H new ATOM 0 HD23 LEU B 43 16.127 -3.278 5.011 1.00 40.33 H new ATOM 2478 N PRO B 44 18.119 -1.354 -0.580 1.00 74.04 N ATOM 2479 CA PRO B 44 18.698 -0.199 -1.322 1.00 3.44 C ATOM 2480 C PRO B 44 17.609 0.677 -1.994 1.00 1.43 C ATOM 2481 O PRO B 44 17.539 0.808 -3.224 1.00 42.35 O ATOM 2482 CB PRO B 44 19.623 -0.904 -2.347 1.00 20.14 C ATOM 2483 CG PRO B 44 18.910 -2.183 -2.670 1.00 74.32 C ATOM 2484 CD PRO B 44 18.205 -2.608 -1.389 1.00 40.44 C ATOM 0 HA PRO B 44 19.226 0.511 -0.685 1.00 3.44 H new ATOM 0 HB2 PRO B 44 19.768 -0.293 -3.238 1.00 20.14 H new ATOM 0 HB3 PRO B 44 20.611 -1.094 -1.927 1.00 20.14 H new ATOM 0 HG2 PRO B 44 18.194 -2.037 -3.479 1.00 74.32 H new ATOM 0 HG3 PRO B 44 19.612 -2.948 -3.001 1.00 74.32 H new ATOM 0 HD2 PRO B 44 17.216 -3.016 -1.596 1.00 40.44 H new ATOM 0 HD3 PRO B 44 18.766 -3.382 -0.865 1.00 40.44 H new ATOM 2492 N ASN B 45 16.770 1.285 -1.143 1.00 52.33 N ATOM 2493 CA ASN B 45 15.637 2.127 -1.557 1.00 63.12 C ATOM 2494 C ASN B 45 15.258 3.058 -0.393 1.00 52.23 C ATOM 2495 O ASN B 45 15.340 4.287 -0.502 1.00 41.11 O ATOM 2496 CB ASN B 45 14.429 1.234 -1.981 1.00 63.15 C ATOM 2497 CG ASN B 45 13.130 2.009 -2.262 1.00 72.30 C ATOM 2498 OD1 ASN B 45 12.288 2.189 -1.377 1.00 4.44 O ATOM 2499 ND2 ASN B 45 12.954 2.466 -3.493 1.00 70.34 N ATOM 0 H ASN B 45 16.861 1.204 -0.130 1.00 52.33 H new ATOM 0 HA ASN B 45 15.918 2.733 -2.418 1.00 63.12 H new ATOM 0 HB2 ASN B 45 14.704 0.674 -2.875 1.00 63.15 H new ATOM 0 HB3 ASN B 45 14.239 0.504 -1.194 1.00 63.15 H new ATOM 0 HD21 ASN B 45 12.106 2.981 -3.729 1.00 70.34 H new ATOM 0 HD22 ASN B 45 13.666 2.303 -4.204 1.00 70.34 H new ATOM 2506 N VAL B 46 14.887 2.444 0.741 1.00 2.34 N ATOM 2507 CA VAL B 46 14.416 3.165 1.936 1.00 74.32 C ATOM 2508 C VAL B 46 15.617 3.661 2.787 1.00 61.42 C ATOM 2509 O VAL B 46 16.538 2.893 3.078 1.00 71.21 O ATOM 2510 CB VAL B 46 13.440 2.253 2.779 1.00 53.24 C ATOM 2511 CG1 VAL B 46 14.090 0.905 3.171 1.00 14.54 C ATOM 2512 CG2 VAL B 46 12.888 3.011 4.009 1.00 64.53 C ATOM 0 H VAL B 46 14.905 1.431 0.856 1.00 2.34 H new ATOM 0 HA VAL B 46 13.857 4.045 1.618 1.00 74.32 H new ATOM 0 HB VAL B 46 12.593 2.009 2.138 1.00 53.24 H new ATOM 0 HG11 VAL B 46 13.380 0.313 3.749 1.00 14.54 H new ATOM 0 HG12 VAL B 46 14.368 0.359 2.269 1.00 14.54 H new ATOM 0 HG13 VAL B 46 14.981 1.091 3.771 1.00 14.54 H new ATOM 0 HG21 VAL B 46 12.219 2.357 4.569 1.00 64.53 H new ATOM 0 HG22 VAL B 46 13.715 3.318 4.649 1.00 64.53 H new ATOM 0 HG23 VAL B 46 12.339 3.893 3.677 1.00 64.53 H new ATOM 2522 N THR B 47 15.596 4.956 3.162 1.00 40.33 N ATOM 2523 CA THR B 47 16.687 5.612 3.927 1.00 23.05 C ATOM 2524 C THR B 47 16.691 5.151 5.399 1.00 73.42 C ATOM 2525 O THR B 47 15.726 4.533 5.847 1.00 61.24 O ATOM 2526 CB THR B 47 16.528 7.162 3.848 1.00 23.24 C ATOM 2527 OG1 THR B 47 15.247 7.540 4.378 1.00 25.35 O ATOM 2528 CG2 THR B 47 16.657 7.669 2.399 1.00 61.03 C ATOM 0 H THR B 47 14.821 5.582 2.944 1.00 40.33 H new ATOM 0 HA THR B 47 17.640 5.323 3.483 1.00 23.05 H new ATOM 0 HB THR B 47 17.325 7.615 4.437 1.00 23.24 H new ATOM 0 HG1 THR B 47 15.148 8.514 4.330 1.00 25.35 H new ATOM 0 HG21 THR B 47 16.541 8.753 2.381 1.00 61.03 H new ATOM 0 HG22 THR B 47 17.638 7.402 2.006 1.00 61.03 H new ATOM 0 HG23 THR B 47 15.883 7.211 1.783 1.00 61.03 H new ATOM 2536 N SER B 48 17.768 5.481 6.148 1.00 25.33 N ATOM 2537 CA SER B 48 17.980 4.973 7.526 1.00 54.20 C ATOM 2538 C SER B 48 16.885 5.426 8.506 1.00 54.44 C ATOM 2539 O SER B 48 16.365 4.613 9.270 1.00 75.55 O ATOM 2540 CB SER B 48 19.371 5.401 8.041 1.00 44.10 C ATOM 2541 OG SER B 48 19.558 6.804 7.933 1.00 15.41 O ATOM 0 H SER B 48 18.509 6.101 5.820 1.00 25.33 H new ATOM 0 HA SER B 48 17.925 3.886 7.476 1.00 54.20 H new ATOM 0 HB2 SER B 48 19.484 5.097 9.082 1.00 44.10 H new ATOM 0 HB3 SER B 48 20.145 4.885 7.473 1.00 44.10 H new ATOM 0 HG SER B 48 20.454 6.989 7.583 1.00 15.41 H new ATOM 2547 N THR B 49 16.548 6.723 8.469 1.00 1.31 N ATOM 2548 CA THR B 49 15.563 7.338 9.378 1.00 64.55 C ATOM 2549 C THR B 49 14.152 6.776 9.144 1.00 13.40 C ATOM 2550 O THR B 49 13.437 6.453 10.095 1.00 43.10 O ATOM 2551 CB THR B 49 15.566 8.886 9.196 1.00 42.24 C ATOM 2552 OG1 THR B 49 15.376 9.198 7.804 1.00 12.40 O ATOM 2553 CG2 THR B 49 16.882 9.519 9.695 1.00 23.52 C ATOM 0 H THR B 49 16.953 7.382 7.804 1.00 1.31 H new ATOM 0 HA THR B 49 15.850 7.095 10.401 1.00 64.55 H new ATOM 0 HB THR B 49 14.753 9.300 9.792 1.00 42.24 H new ATOM 0 HG1 THR B 49 15.375 10.171 7.684 1.00 12.40 H new ATOM 0 HG21 THR B 49 16.844 10.599 9.551 1.00 23.52 H new ATOM 0 HG22 THR B 49 17.013 9.299 10.755 1.00 23.52 H new ATOM 0 HG23 THR B 49 17.720 9.107 9.133 1.00 23.52 H new ATOM 2561 N ILE B 50 13.783 6.635 7.864 1.00 34.43 N ATOM 2562 CA ILE B 50 12.454 6.158 7.463 1.00 13.34 C ATOM 2563 C ILE B 50 12.304 4.648 7.766 1.00 55.41 C ATOM 2564 O ILE B 50 11.282 4.219 8.304 1.00 40.33 O ATOM 2565 CB ILE B 50 12.193 6.469 5.942 1.00 1.04 C ATOM 2566 CG1 ILE B 50 12.338 8.005 5.664 1.00 71.32 C ATOM 2567 CG2 ILE B 50 10.812 5.956 5.478 1.00 44.31 C ATOM 2568 CD1 ILE B 50 11.401 8.905 6.465 1.00 64.44 C ATOM 0 H ILE B 50 14.397 6.848 7.078 1.00 34.43 H new ATOM 0 HA ILE B 50 11.701 6.689 8.045 1.00 13.34 H new ATOM 0 HB ILE B 50 12.947 5.935 5.363 1.00 1.04 H new ATOM 0 HG12 ILE B 50 13.366 8.300 5.874 1.00 71.32 H new ATOM 0 HG13 ILE B 50 12.166 8.183 4.602 1.00 71.32 H new ATOM 0 HG21 ILE B 50 10.672 6.191 4.423 1.00 44.31 H new ATOM 0 HG22 ILE B 50 10.759 4.877 5.619 1.00 44.31 H new ATOM 0 HG23 ILE B 50 10.029 6.438 6.064 1.00 44.31 H new ATOM 0 HD11 ILE B 50 11.581 9.947 6.199 1.00 64.44 H new ATOM 0 HD12 ILE B 50 10.367 8.647 6.239 1.00 64.44 H new ATOM 0 HD13 ILE B 50 11.585 8.765 7.530 1.00 64.44 H new ATOM 2580 N LEU B 51 13.366 3.872 7.456 1.00 64.44 N ATOM 2581 CA LEU B 51 13.429 2.410 7.716 1.00 14.41 C ATOM 2582 C LEU B 51 13.360 2.147 9.232 1.00 43.42 C ATOM 2583 O LEU B 51 12.713 1.184 9.670 1.00 51.33 O ATOM 2584 CB LEU B 51 14.732 1.819 7.073 1.00 31.01 C ATOM 2585 CG LEU B 51 14.939 0.254 7.034 1.00 41.35 C ATOM 2586 CD1 LEU B 51 15.455 -0.321 8.363 1.00 13.10 C ATOM 2587 CD2 LEU B 51 13.662 -0.480 6.576 1.00 4.35 C ATOM 0 H LEU B 51 14.209 4.241 7.016 1.00 64.44 H new ATOM 0 HA LEU B 51 12.576 1.910 7.258 1.00 14.41 H new ATOM 0 HB2 LEU B 51 14.783 2.181 6.046 1.00 31.01 H new ATOM 0 HB3 LEU B 51 15.582 2.248 7.604 1.00 31.01 H new ATOM 0 HG LEU B 51 15.719 0.077 6.293 1.00 41.35 H new ATOM 0 HD11 LEU B 51 15.576 -1.400 8.270 1.00 13.10 H new ATOM 0 HD12 LEU B 51 16.416 0.132 8.607 1.00 13.10 H new ATOM 0 HD13 LEU B 51 14.739 -0.103 9.156 1.00 13.10 H new ATOM 0 HD21 LEU B 51 13.845 -1.554 6.562 1.00 4.35 H new ATOM 0 HD22 LEU B 51 12.848 -0.259 7.267 1.00 4.35 H new ATOM 0 HD23 LEU B 51 13.389 -0.146 5.575 1.00 4.35 H new ATOM 2599 N GLU B 52 14.016 3.037 10.016 1.00 31.23 N ATOM 2600 CA GLU B 52 13.997 2.988 11.486 1.00 42.40 C ATOM 2601 C GLU B 52 12.557 3.095 11.994 1.00 12.05 C ATOM 2602 O GLU B 52 12.112 2.245 12.758 1.00 40.34 O ATOM 2603 CB GLU B 52 14.852 4.130 12.103 1.00 31.34 C ATOM 2604 CG GLU B 52 14.898 4.106 13.645 1.00 44.21 C ATOM 2605 CD GLU B 52 15.713 5.252 14.253 1.00 11.24 C ATOM 2606 OE1 GLU B 52 15.133 6.305 14.576 1.00 2.31 O ATOM 2607 OE2 GLU B 52 16.942 5.102 14.426 1.00 0.11 O ATOM 0 H GLU B 52 14.571 3.806 9.640 1.00 31.23 H new ATOM 0 HA GLU B 52 14.427 2.035 11.794 1.00 42.40 H new ATOM 0 HB2 GLU B 52 15.869 4.060 11.717 1.00 31.34 H new ATOM 0 HB3 GLU B 52 14.452 5.089 11.775 1.00 31.34 H new ATOM 0 HG2 GLU B 52 13.880 4.151 14.031 1.00 44.21 H new ATOM 0 HG3 GLU B 52 15.321 3.157 13.973 1.00 44.21 H new ATOM 2614 N LYS B 53 11.848 4.135 11.508 1.00 43.23 N ATOM 2615 CA LYS B 53 10.463 4.435 11.906 1.00 21.44 C ATOM 2616 C LYS B 53 9.517 3.255 11.603 1.00 44.44 C ATOM 2617 O LYS B 53 8.823 2.772 12.500 1.00 33.30 O ATOM 2618 CB LYS B 53 9.959 5.726 11.193 1.00 2.11 C ATOM 2619 CG LYS B 53 10.656 7.033 11.645 1.00 35.35 C ATOM 2620 CD LYS B 53 10.144 8.288 10.898 1.00 3.12 C ATOM 2621 CE LYS B 53 8.633 8.518 11.068 1.00 74.02 C ATOM 2622 NZ LYS B 53 8.229 8.600 12.499 1.00 32.23 N ATOM 0 H LYS B 53 12.225 4.792 10.825 1.00 43.23 H new ATOM 0 HA LYS B 53 10.458 4.599 12.984 1.00 21.44 H new ATOM 0 HB2 LYS B 53 10.100 5.609 10.118 1.00 2.11 H new ATOM 0 HB3 LYS B 53 8.887 5.824 11.365 1.00 2.11 H new ATOM 0 HG2 LYS B 53 10.502 7.168 12.716 1.00 35.35 H new ATOM 0 HG3 LYS B 53 11.730 6.937 11.487 1.00 35.35 H new ATOM 0 HD2 LYS B 53 10.682 9.164 11.261 1.00 3.12 H new ATOM 0 HD3 LYS B 53 10.373 8.190 9.837 1.00 3.12 H new ATOM 0 HE2 LYS B 53 8.349 9.439 10.560 1.00 74.02 H new ATOM 0 HE3 LYS B 53 8.088 7.707 10.585 1.00 74.02 H new ATOM 0 HZ1 LYS B 53 7.227 8.873 12.562 1.00 32.23 H new ATOM 0 HZ2 LYS B 53 8.365 7.674 12.952 1.00 32.23 H new ATOM 0 HZ3 LYS B 53 8.812 9.311 12.984 1.00 32.23 H new ATOM 2636 N VAL B 54 9.540 2.773 10.350 1.00 14.25 N ATOM 2637 CA VAL B 54 8.610 1.731 9.870 1.00 14.03 C ATOM 2638 C VAL B 54 8.778 0.419 10.683 1.00 12.35 C ATOM 2639 O VAL B 54 7.784 -0.207 11.081 1.00 73.45 O ATOM 2640 CB VAL B 54 8.794 1.485 8.322 1.00 24.11 C ATOM 2641 CG1 VAL B 54 7.863 0.371 7.798 1.00 20.05 C ATOM 2642 CG2 VAL B 54 8.561 2.798 7.529 1.00 1.52 C ATOM 0 H VAL B 54 10.201 3.092 9.641 1.00 14.25 H new ATOM 0 HA VAL B 54 7.591 2.083 10.028 1.00 14.03 H new ATOM 0 HB VAL B 54 9.821 1.154 8.168 1.00 24.11 H new ATOM 0 HG11 VAL B 54 8.024 0.236 6.728 1.00 20.05 H new ATOM 0 HG12 VAL B 54 8.082 -0.561 8.319 1.00 20.05 H new ATOM 0 HG13 VAL B 54 6.825 0.651 7.976 1.00 20.05 H new ATOM 0 HG21 VAL B 54 8.692 2.608 6.464 1.00 1.52 H new ATOM 0 HG22 VAL B 54 7.549 3.158 7.711 1.00 1.52 H new ATOM 0 HG23 VAL B 54 9.278 3.552 7.854 1.00 1.52 H new ATOM 2652 N LEU B 55 10.044 0.043 10.967 1.00 62.41 N ATOM 2653 CA LEU B 55 10.360 -1.144 11.797 1.00 34.30 C ATOM 2654 C LEU B 55 10.106 -0.894 13.306 1.00 64.15 C ATOM 2655 O LEU B 55 9.811 -1.842 14.044 1.00 20.05 O ATOM 2656 CB LEU B 55 11.820 -1.627 11.570 1.00 20.14 C ATOM 2657 CG LEU B 55 12.166 -2.179 10.144 1.00 21.01 C ATOM 2658 CD1 LEU B 55 13.589 -2.782 10.121 1.00 42.12 C ATOM 2659 CD2 LEU B 55 11.110 -3.203 9.649 1.00 22.03 C ATOM 0 H LEU B 55 10.867 0.545 10.633 1.00 62.41 H new ATOM 0 HA LEU B 55 9.680 -1.932 11.474 1.00 34.30 H new ATOM 0 HB2 LEU B 55 12.491 -0.795 11.785 1.00 20.14 H new ATOM 0 HB3 LEU B 55 12.037 -2.408 12.299 1.00 20.14 H new ATOM 0 HG LEU B 55 12.142 -1.338 9.450 1.00 21.01 H new ATOM 0 HD11 LEU B 55 13.808 -3.159 9.122 1.00 42.12 H new ATOM 0 HD12 LEU B 55 14.314 -2.013 10.386 1.00 42.12 H new ATOM 0 HD13 LEU B 55 13.649 -3.600 10.839 1.00 42.12 H new ATOM 0 HD21 LEU B 55 11.387 -3.561 8.657 1.00 22.03 H new ATOM 0 HD22 LEU B 55 11.068 -4.045 10.340 1.00 22.03 H new ATOM 0 HD23 LEU B 55 10.132 -2.723 9.601 1.00 22.03 H new ATOM 2671 N ASP B 56 10.232 0.371 13.757 1.00 11.21 N ATOM 2672 CA ASP B 56 10.061 0.747 15.188 1.00 11.11 C ATOM 2673 C ASP B 56 8.577 0.692 15.586 1.00 21.54 C ATOM 2674 O ASP B 56 8.239 0.335 16.719 1.00 13.44 O ATOM 2675 CB ASP B 56 10.665 2.151 15.472 1.00 25.30 C ATOM 2676 CG ASP B 56 10.689 2.544 16.962 1.00 50.41 C ATOM 2677 OD1 ASP B 56 11.119 1.721 17.806 1.00 2.43 O ATOM 2678 OD2 ASP B 56 10.316 3.691 17.299 1.00 2.31 O ATOM 0 H ASP B 56 10.453 1.160 13.150 1.00 11.21 H new ATOM 0 HA ASP B 56 10.604 0.025 15.798 1.00 11.11 H new ATOM 0 HB2 ASP B 56 11.683 2.180 15.085 1.00 25.30 H new ATOM 0 HB3 ASP B 56 10.093 2.897 14.921 1.00 25.30 H new ATOM 2683 N TYR B 57 7.698 1.024 14.625 1.00 42.31 N ATOM 2684 CA TYR B 57 6.241 0.844 14.767 1.00 63.54 C ATOM 2685 C TYR B 57 5.913 -0.652 14.936 1.00 2.51 C ATOM 2686 O TYR B 57 5.053 -1.027 15.746 1.00 31.53 O ATOM 2687 CB TYR B 57 5.495 1.399 13.527 1.00 43.24 C ATOM 2688 CG TYR B 57 3.962 1.291 13.613 1.00 3.23 C ATOM 2689 CD1 TYR B 57 3.208 2.259 14.283 1.00 20.33 C ATOM 2690 CD2 TYR B 57 3.269 0.209 13.041 1.00 51.41 C ATOM 2691 CE1 TYR B 57 1.834 2.154 14.374 1.00 42.14 C ATOM 2692 CE2 TYR B 57 1.897 0.109 13.132 1.00 22.41 C ATOM 2693 CZ TYR B 57 1.185 1.078 13.800 1.00 63.42 C ATOM 2694 OH TYR B 57 -0.181 0.964 13.912 1.00 24.43 O ATOM 0 H TYR B 57 7.976 1.424 13.729 1.00 42.31 H new ATOM 0 HA TYR B 57 5.912 1.394 15.649 1.00 63.54 H new ATOM 0 HB2 TYR B 57 5.767 2.446 13.391 1.00 43.24 H new ATOM 0 HB3 TYR B 57 5.837 0.863 12.641 1.00 43.24 H new ATOM 0 HD1 TYR B 57 3.708 3.102 14.737 1.00 20.33 H new ATOM 0 HD2 TYR B 57 3.822 -0.558 12.520 1.00 51.41 H new ATOM 0 HE1 TYR B 57 1.267 2.913 14.894 1.00 42.14 H new ATOM 0 HE2 TYR B 57 1.383 -0.727 12.681 1.00 22.41 H new ATOM 0 HH TYR B 57 -0.480 0.152 13.452 1.00 24.43 H new ATOM 2704 N CYS B 58 6.606 -1.485 14.137 1.00 3.41 N ATOM 2705 CA CYS B 58 6.469 -2.944 14.174 1.00 75.23 C ATOM 2706 C CYS B 58 6.933 -3.517 15.539 1.00 23.35 C ATOM 2707 O CYS B 58 6.339 -4.473 16.041 1.00 71.10 O ATOM 2708 CB CYS B 58 7.252 -3.577 12.996 1.00 53.20 C ATOM 2709 SG CYS B 58 6.668 -3.071 11.364 1.00 72.32 S ATOM 0 H CYS B 58 7.280 -1.157 13.445 1.00 3.41 H new ATOM 0 HA CYS B 58 5.415 -3.199 14.063 1.00 75.23 H new ATOM 0 HB2 CYS B 58 8.305 -3.313 13.091 1.00 53.20 H new ATOM 0 HB3 CYS B 58 7.187 -4.662 13.073 1.00 53.20 H new ATOM 0 HG CYS B 58 7.090 -1.869 11.105 1.00 72.32 H new ATOM 2715 N ARG B 59 7.991 -2.904 16.132 1.00 3.34 N ATOM 2716 CA ARG B 59 8.485 -3.252 17.492 1.00 64.31 C ATOM 2717 C ARG B 59 7.395 -2.982 18.543 1.00 21.42 C ATOM 2718 O ARG B 59 7.146 -3.807 19.429 1.00 24.24 O ATOM 2719 CB ARG B 59 9.741 -2.417 17.867 1.00 4.24 C ATOM 2720 CG ARG B 59 10.983 -2.636 16.985 1.00 2.33 C ATOM 2721 CD ARG B 59 12.121 -1.663 17.349 1.00 3.24 C ATOM 2722 NE ARG B 59 13.306 -1.844 16.496 1.00 1.11 N ATOM 2723 CZ ARG B 59 14.489 -1.236 16.687 1.00 55.22 C ATOM 2724 NH1 ARG B 59 14.670 -0.393 17.707 1.00 1.42 N ATOM 2725 NH2 ARG B 59 15.509 -1.530 15.885 1.00 23.13 N ATOM 0 H ARG B 59 8.523 -2.158 15.684 1.00 3.34 H new ATOM 0 HA ARG B 59 8.745 -4.310 17.480 1.00 64.31 H new ATOM 0 HB2 ARG B 59 9.475 -1.361 17.830 1.00 4.24 H new ATOM 0 HB3 ARG B 59 10.008 -2.643 18.899 1.00 4.24 H new ATOM 0 HG2 ARG B 59 11.332 -3.662 17.097 1.00 2.33 H new ATOM 0 HG3 ARG B 59 10.713 -2.504 15.937 1.00 2.33 H new ATOM 0 HD2 ARG B 59 11.763 -0.638 17.256 1.00 3.24 H new ATOM 0 HD3 ARG B 59 12.401 -1.810 18.392 1.00 3.24 H new ATOM 0 HE ARG B 59 13.223 -2.478 15.701 1.00 1.11 H new ATOM 0 HH11 ARG B 59 13.904 -0.203 18.354 1.00 1.42 H new ATOM 0 HH12 ARG B 59 15.574 0.061 17.839 1.00 1.42 H new ATOM 0 HH21 ARG B 59 15.388 -2.210 15.135 1.00 23.13 H new ATOM 0 HH22 ARG B 59 16.412 -1.075 16.020 1.00 23.13 H new ATOM 2739 N HIS B 60 6.760 -1.801 18.416 1.00 13.12 N ATOM 2740 CA HIS B 60 5.668 -1.367 19.303 1.00 24.03 C ATOM 2741 C HIS B 60 4.495 -2.353 19.255 1.00 74.41 C ATOM 2742 O HIS B 60 3.996 -2.775 20.297 1.00 21.54 O ATOM 2743 CB HIS B 60 5.175 0.058 18.919 1.00 13.13 C ATOM 2744 CG HIS B 60 3.958 0.507 19.702 1.00 43.41 C ATOM 2745 ND1 HIS B 60 2.688 0.576 19.163 1.00 43.44 N ATOM 2746 CD2 HIS B 60 3.822 0.880 20.998 1.00 52.31 C ATOM 2747 CE1 HIS B 60 1.836 0.950 20.094 1.00 75.44 C ATOM 2748 NE2 HIS B 60 2.496 1.146 21.212 1.00 25.51 N ATOM 0 H HIS B 60 6.992 -1.120 17.693 1.00 13.12 H new ATOM 0 HA HIS B 60 6.061 -1.341 20.319 1.00 24.03 H new ATOM 0 HB2 HIS B 60 5.984 0.770 19.081 1.00 13.13 H new ATOM 0 HB3 HIS B 60 4.941 0.078 17.855 1.00 13.13 H new ATOM 0 HD2 HIS B 60 4.614 0.954 21.728 1.00 52.31 H new ATOM 0 HE1 HIS B 60 0.772 1.075 19.961 1.00 75.44 H new ATOM 0 HE2 HIS B 60 2.087 1.448 22.097 1.00 25.51 H new ATOM 2757 N HIS B 61 4.082 -2.722 18.032 1.00 74.10 N ATOM 2758 CA HIS B 61 2.901 -3.576 17.819 1.00 71.34 C ATOM 2759 C HIS B 61 3.218 -5.059 18.123 1.00 12.52 C ATOM 2760 O HIS B 61 2.304 -5.870 18.324 1.00 33.12 O ATOM 2761 CB HIS B 61 2.363 -3.403 16.378 1.00 0.13 C ATOM 2762 CG HIS B 61 0.967 -3.948 16.201 1.00 60.13 C ATOM 2763 ND1 HIS B 61 0.696 -5.202 15.701 1.00 40.44 N ATOM 2764 CD2 HIS B 61 -0.234 -3.413 16.525 1.00 5.14 C ATOM 2765 CE1 HIS B 61 -0.607 -5.414 15.732 1.00 31.25 C ATOM 2766 NE2 HIS B 61 -1.192 -4.345 16.228 1.00 64.55 N ATOM 0 H HIS B 61 4.551 -2.441 17.171 1.00 74.10 H new ATOM 0 HA HIS B 61 2.123 -3.261 18.515 1.00 71.34 H new ATOM 0 HB2 HIS B 61 2.370 -2.344 16.118 1.00 0.13 H new ATOM 0 HB3 HIS B 61 3.035 -3.906 15.682 1.00 0.13 H new ATOM 0 HD2 HIS B 61 -0.405 -2.431 16.941 1.00 5.14 H new ATOM 0 HE1 HIS B 61 -1.108 -6.313 15.405 1.00 31.25 H new ATOM 0 HE2 HIS B 61 -2.196 -4.229 16.368 1.00 64.55 H new ATOM 2775 N HIS B 62 4.519 -5.393 18.137 1.00 43.43 N ATOM 2776 CA HIS B 62 5.023 -6.718 18.546 1.00 40.53 C ATOM 2777 C HIS B 62 4.805 -6.937 20.049 1.00 31.53 C ATOM 2778 O HIS B 62 4.278 -7.971 20.474 1.00 32.40 O ATOM 2779 CB HIS B 62 6.539 -6.815 18.217 1.00 61.22 C ATOM 2780 CG HIS B 62 7.258 -8.010 18.799 1.00 42.44 C ATOM 2781 ND1 HIS B 62 8.336 -7.911 19.654 1.00 71.35 N ATOM 2782 CD2 HIS B 62 7.091 -9.326 18.584 1.00 72.10 C ATOM 2783 CE1 HIS B 62 8.782 -9.115 19.931 1.00 1.11 C ATOM 2784 NE2 HIS B 62 8.051 -9.992 19.293 1.00 50.32 N ATOM 0 H HIS B 62 5.258 -4.746 17.863 1.00 43.43 H new ATOM 0 HA HIS B 62 4.477 -7.488 18.001 1.00 40.53 H new ATOM 0 HB2 HIS B 62 6.657 -6.835 17.134 1.00 61.22 H new ATOM 0 HB3 HIS B 62 7.029 -5.909 18.574 1.00 61.22 H new ATOM 0 HD2 HIS B 62 6.333 -9.777 17.961 1.00 72.10 H new ATOM 0 HE1 HIS B 62 9.615 -9.343 20.579 1.00 1.11 H new ATOM 0 HE2 HIS B 62 8.176 -11.004 19.320 1.00 50.32 H new ATOM 2793 N GLN B 63 5.204 -5.932 20.834 1.00 11.50 N ATOM 2794 CA GLN B 63 5.230 -6.019 22.303 1.00 13.14 C ATOM 2795 C GLN B 63 3.895 -5.556 22.905 1.00 33.33 C ATOM 2796 O GLN B 63 3.585 -5.852 24.063 1.00 62.03 O ATOM 2797 CB GLN B 63 6.415 -5.179 22.839 1.00 45.20 C ATOM 2798 CG GLN B 63 7.768 -5.513 22.172 1.00 54.30 C ATOM 2799 CD GLN B 63 8.934 -4.753 22.800 1.00 63.01 C ATOM 2800 OE1 GLN B 63 9.246 -3.627 22.402 1.00 75.11 O ATOM 2801 NE2 GLN B 63 9.586 -5.363 23.780 1.00 70.32 N ATOM 0 H GLN B 63 5.519 -5.032 20.471 1.00 11.50 H new ATOM 0 HA GLN B 63 5.370 -7.058 22.602 1.00 13.14 H new ATOM 0 HB2 GLN B 63 6.197 -4.122 22.687 1.00 45.20 H new ATOM 0 HB3 GLN B 63 6.502 -5.335 23.914 1.00 45.20 H new ATOM 0 HG2 GLN B 63 7.953 -6.584 22.250 1.00 54.30 H new ATOM 0 HG3 GLN B 63 7.714 -5.275 21.110 1.00 54.30 H new ATOM 0 HE21 GLN B 63 9.299 -6.294 24.082 1.00 70.32 H new ATOM 0 HE22 GLN B 63 10.375 -4.901 24.232 1.00 70.32 H new ATOM 2810 N HIS B 64 3.123 -4.808 22.102 1.00 13.23 N ATOM 2811 CA HIS B 64 1.780 -4.326 22.442 1.00 32.24 C ATOM 2812 C HIS B 64 0.856 -4.616 21.243 1.00 24.43 C ATOM 2813 O HIS B 64 0.764 -3.788 20.322 1.00 54.32 O ATOM 2814 CB HIS B 64 1.798 -2.804 22.773 1.00 50.43 C ATOM 2815 CG HIS B 64 2.617 -2.445 23.985 1.00 74.14 C ATOM 2816 ND1 HIS B 64 2.066 -2.310 25.238 1.00 75.10 N ATOM 2817 CD2 HIS B 64 3.944 -2.188 24.132 1.00 4.34 C ATOM 2818 CE1 HIS B 64 3.008 -1.994 26.100 1.00 73.41 C ATOM 2819 NE2 HIS B 64 4.156 -1.915 25.458 1.00 23.12 N ATOM 0 H HIS B 64 3.426 -4.515 21.173 1.00 13.23 H new ATOM 0 HA HIS B 64 1.415 -4.839 23.331 1.00 32.24 H new ATOM 0 HB2 HIS B 64 2.187 -2.261 21.912 1.00 50.43 H new ATOM 0 HB3 HIS B 64 0.774 -2.465 22.927 1.00 50.43 H new ATOM 0 HD2 HIS B 64 4.690 -2.197 23.351 1.00 4.34 H new ATOM 0 HE1 HIS B 64 2.864 -1.827 27.157 1.00 73.41 H new ATOM 0 HE2 HIS B 64 5.056 -1.688 25.880 1.00 23.12 H new ATOM 2828 N PRO B 65 0.227 -5.833 21.183 1.00 5.13 N ATOM 2829 CA PRO B 65 -0.732 -6.176 20.114 1.00 42.43 C ATOM 2830 C PRO B 65 -2.008 -5.310 20.222 1.00 12.52 C ATOM 2831 O PRO B 65 -2.959 -5.643 20.946 1.00 13.31 O ATOM 2832 CB PRO B 65 -0.998 -7.693 20.328 1.00 32.35 C ATOM 2833 CG PRO B 65 -0.671 -7.948 21.772 1.00 42.44 C ATOM 2834 CD PRO B 65 0.426 -6.967 22.133 1.00 41.32 C ATOM 0 HA PRO B 65 -0.358 -5.979 19.109 1.00 42.43 H new ATOM 0 HB2 PRO B 65 -2.035 -7.946 20.108 1.00 32.35 H new ATOM 0 HB3 PRO B 65 -0.375 -8.299 19.670 1.00 32.35 H new ATOM 0 HG2 PRO B 65 -1.548 -7.801 22.402 1.00 42.44 H new ATOM 0 HG3 PRO B 65 -0.340 -8.976 21.921 1.00 42.44 H new ATOM 0 HD2 PRO B 65 0.342 -6.639 23.169 1.00 41.32 H new ATOM 0 HD3 PRO B 65 1.414 -7.414 22.019 1.00 41.32 H new ATOM 2842 N GLY B 66 -1.962 -4.151 19.539 1.00 44.24 N ATOM 2843 CA GLY B 66 -3.041 -3.166 19.571 1.00 31.12 C ATOM 2844 C GLY B 66 -4.196 -3.492 18.634 1.00 51.13 C ATOM 2845 O GLY B 66 -4.192 -4.525 17.952 1.00 44.31 O ATOM 0 H GLY B 66 -1.173 -3.878 18.952 1.00 44.24 H new ATOM 0 HA2 GLY B 66 -3.422 -3.090 20.590 1.00 31.12 H new ATOM 0 HA3 GLY B 66 -2.636 -2.189 19.308 1.00 31.12 H new ATOM 2849 N GLY B 67 -5.178 -2.579 18.596 1.00 72.42 N ATOM 2850 CA GLY B 67 -6.425 -2.766 17.845 1.00 72.22 C ATOM 2851 C GLY B 67 -7.632 -2.457 18.711 1.00 72.20 C ATOM 2852 O GLY B 67 -8.621 -1.869 18.243 1.00 73.44 O ATOM 0 H GLY B 67 -5.128 -1.687 19.088 1.00 72.42 H new ATOM 0 HA2 GLY B 67 -6.426 -2.118 16.968 1.00 72.22 H new ATOM 0 HA3 GLY B 67 -6.486 -3.792 17.483 1.00 72.22 H new ATOM 2856 N SER B 68 -7.547 -2.876 19.991 1.00 41.43 N ATOM 2857 CA SER B 68 -8.518 -2.506 21.026 1.00 23.13 C ATOM 2858 C SER B 68 -8.272 -1.035 21.428 1.00 53.11 C ATOM 2859 O SER B 68 -7.497 -0.740 22.345 1.00 2.44 O ATOM 2860 CB SER B 68 -8.396 -3.468 22.237 1.00 14.51 C ATOM 2861 OG SER B 68 -8.526 -4.825 21.836 1.00 43.14 O ATOM 0 H SER B 68 -6.799 -3.481 20.330 1.00 41.43 H new ATOM 0 HA SER B 68 -9.536 -2.596 20.647 1.00 23.13 H new ATOM 0 HB2 SER B 68 -7.432 -3.322 22.724 1.00 14.51 H new ATOM 0 HB3 SER B 68 -9.164 -3.229 22.972 1.00 14.51 H new ATOM 0 HG SER B 68 -8.443 -5.407 22.620 1.00 43.14 H new ATOM 2867 N GLY B 69 -8.888 -0.132 20.658 1.00 45.43 N ATOM 2868 CA GLY B 69 -8.687 1.306 20.793 1.00 1.31 C ATOM 2869 C GLY B 69 -9.189 2.021 19.557 1.00 61.52 C ATOM 2870 O GLY B 69 -8.426 2.726 18.881 1.00 13.21 O ATOM 0 H GLY B 69 -9.544 -0.385 19.919 1.00 45.43 H new ATOM 0 HA2 GLY B 69 -9.214 1.673 21.674 1.00 1.31 H new ATOM 0 HA3 GLY B 69 -7.629 1.521 20.942 1.00 1.31 H new ATOM 2874 N LEU B 70 -10.488 1.805 19.249 1.00 23.51 N ATOM 2875 CA LEU B 70 -11.157 2.389 18.074 1.00 3.32 C ATOM 2876 C LEU B 70 -11.116 3.931 18.146 1.00 21.54 C ATOM 2877 O LEU B 70 -11.526 4.526 19.151 1.00 62.44 O ATOM 2878 CB LEU B 70 -12.608 1.805 17.927 1.00 42.11 C ATOM 2879 CG LEU B 70 -13.586 1.899 19.172 1.00 15.43 C ATOM 2880 CD1 LEU B 70 -14.395 3.221 19.224 1.00 70.22 C ATOM 2881 CD2 LEU B 70 -14.529 0.673 19.253 1.00 70.41 C ATOM 0 H LEU B 70 -11.101 1.217 19.814 1.00 23.51 H new ATOM 0 HA LEU B 70 -10.622 2.111 17.166 1.00 3.32 H new ATOM 0 HB2 LEU B 70 -13.087 2.312 17.089 1.00 42.11 H new ATOM 0 HB3 LEU B 70 -12.517 0.754 17.654 1.00 42.11 H new ATOM 0 HG LEU B 70 -12.940 1.897 20.050 1.00 15.43 H new ATOM 0 HD11 LEU B 70 -15.043 3.217 20.101 1.00 70.22 H new ATOM 0 HD12 LEU B 70 -13.709 4.066 19.284 1.00 70.22 H new ATOM 0 HD13 LEU B 70 -15.003 3.311 18.324 1.00 70.22 H new ATOM 0 HD21 LEU B 70 -15.184 0.774 20.119 1.00 70.41 H new ATOM 0 HD22 LEU B 70 -15.132 0.617 18.347 1.00 70.41 H new ATOM 0 HD23 LEU B 70 -13.936 -0.236 19.351 1.00 70.41 H new ATOM 2893 N ASP B 71 -10.463 4.536 17.129 1.00 11.12 N ATOM 2894 CA ASP B 71 -10.309 6.004 16.972 1.00 1.35 C ATOM 2895 C ASP B 71 -9.426 6.643 18.094 1.00 60.14 C ATOM 2896 O ASP B 71 -9.200 7.858 18.115 1.00 0.44 O ATOM 2897 CB ASP B 71 -11.710 6.691 16.857 1.00 55.33 C ATOM 2898 CG ASP B 71 -11.640 8.177 16.453 1.00 33.22 C ATOM 2899 OD1 ASP B 71 -11.167 8.467 15.333 1.00 45.11 O ATOM 2900 OD2 ASP B 71 -12.053 9.056 17.244 1.00 74.24 O ATOM 0 H ASP B 71 -10.018 4.009 16.378 1.00 11.12 H new ATOM 0 HA ASP B 71 -9.769 6.180 16.041 1.00 1.35 H new ATOM 0 HB2 ASP B 71 -12.310 6.152 16.124 1.00 55.33 H new ATOM 0 HB3 ASP B 71 -12.225 6.608 17.814 1.00 55.33 H new ATOM 2905 N ASP B 72 -8.881 5.807 18.992 1.00 42.32 N ATOM 2906 CA ASP B 72 -8.064 6.252 20.130 1.00 51.42 C ATOM 2907 C ASP B 72 -6.591 5.918 19.851 1.00 71.52 C ATOM 2908 O ASP B 72 -6.131 4.800 20.112 1.00 70.10 O ATOM 2909 CB ASP B 72 -8.557 5.584 21.442 1.00 31.55 C ATOM 2910 CG ASP B 72 -7.778 6.063 22.686 1.00 21.03 C ATOM 2911 OD1 ASP B 72 -7.001 5.275 23.271 1.00 31.42 O ATOM 2912 OD2 ASP B 72 -7.934 7.243 23.071 1.00 62.51 O ATOM 0 H ASP B 72 -8.997 4.795 18.947 1.00 42.32 H new ATOM 0 HA ASP B 72 -8.161 7.330 20.256 1.00 51.42 H new ATOM 0 HB2 ASP B 72 -9.617 5.799 21.578 1.00 31.55 H new ATOM 0 HB3 ASP B 72 -8.460 4.502 21.352 1.00 31.55 H new ATOM 2917 N ILE B 73 -5.883 6.883 19.242 1.00 4.30 N ATOM 2918 CA ILE B 73 -4.447 6.768 18.925 1.00 52.52 C ATOM 2919 C ILE B 73 -3.624 7.347 20.101 1.00 40.33 C ATOM 2920 O ILE B 73 -3.785 8.528 20.420 1.00 21.11 O ATOM 2921 CB ILE B 73 -4.091 7.540 17.593 1.00 1.32 C ATOM 2922 CG1 ILE B 73 -4.982 7.052 16.405 1.00 52.21 C ATOM 2923 CG2 ILE B 73 -2.588 7.397 17.244 1.00 3.12 C ATOM 2924 CD1 ILE B 73 -4.763 7.801 15.094 1.00 32.55 C ATOM 0 H ILE B 73 -6.292 7.772 18.953 1.00 4.30 H new ATOM 0 HA ILE B 73 -4.205 5.716 18.778 1.00 52.52 H new ATOM 0 HB ILE B 73 -4.298 8.597 17.761 1.00 1.32 H new ATOM 0 HG12 ILE B 73 -4.792 5.992 16.238 1.00 52.21 H new ATOM 0 HG13 ILE B 73 -6.029 7.147 16.691 1.00 52.21 H new ATOM 0 HG21 ILE B 73 -2.375 7.939 16.323 1.00 3.12 H new ATOM 0 HG22 ILE B 73 -1.986 7.808 18.054 1.00 3.12 H new ATOM 0 HG23 ILE B 73 -2.344 6.343 17.109 1.00 3.12 H new ATOM 0 HD11 ILE B 73 -5.423 7.394 14.328 1.00 32.55 H new ATOM 0 HD12 ILE B 73 -4.983 8.859 15.238 1.00 32.55 H new ATOM 0 HD13 ILE B 73 -3.726 7.686 14.778 1.00 32.55 H new ATOM 2936 N PRO B 74 -2.754 6.529 20.788 1.00 72.23 N ATOM 2937 CA PRO B 74 -1.881 7.029 21.889 1.00 23.44 C ATOM 2938 C PRO B 74 -0.812 8.044 21.373 1.00 33.12 C ATOM 2939 O PRO B 74 -0.416 7.966 20.204 1.00 21.31 O ATOM 2940 CB PRO B 74 -1.238 5.730 22.454 1.00 72.14 C ATOM 2941 CG PRO B 74 -1.301 4.744 21.331 1.00 11.15 C ATOM 2942 CD PRO B 74 -2.561 5.067 20.557 1.00 32.42 C ATOM 0 HA PRO B 74 -2.431 7.588 22.646 1.00 23.44 H new ATOM 0 HB2 PRO B 74 -0.209 5.904 22.769 1.00 72.14 H new ATOM 0 HB3 PRO B 74 -1.781 5.369 23.327 1.00 72.14 H new ATOM 0 HG2 PRO B 74 -0.421 4.824 20.693 1.00 11.15 H new ATOM 0 HG3 PRO B 74 -1.328 3.723 21.711 1.00 11.15 H new ATOM 0 HD2 PRO B 74 -2.449 4.841 19.497 1.00 32.42 H new ATOM 0 HD3 PRO B 74 -3.412 4.489 20.918 1.00 32.42 H new ATOM 2950 N PRO B 75 -0.350 9.016 22.245 1.00 62.52 N ATOM 2951 CA PRO B 75 0.634 10.085 21.878 1.00 63.31 C ATOM 2952 C PRO B 75 1.865 9.610 21.066 1.00 5.03 C ATOM 2953 O PRO B 75 2.310 10.315 20.166 1.00 62.42 O ATOM 2954 CB PRO B 75 1.073 10.631 23.253 1.00 14.41 C ATOM 2955 CG PRO B 75 -0.139 10.465 24.118 1.00 14.11 C ATOM 2956 CD PRO B 75 -0.786 9.169 23.668 1.00 24.05 C ATOM 0 HA PRO B 75 0.173 10.812 21.210 1.00 63.31 H new ATOM 0 HB2 PRO B 75 1.924 10.076 23.649 1.00 14.41 H new ATOM 0 HB3 PRO B 75 1.376 11.676 23.188 1.00 14.41 H new ATOM 0 HG2 PRO B 75 0.135 10.421 25.172 1.00 14.11 H new ATOM 0 HG3 PRO B 75 -0.823 11.306 24.001 1.00 14.11 H new ATOM 0 HD2 PRO B 75 -0.458 8.327 24.278 1.00 24.05 H new ATOM 0 HD3 PRO B 75 -1.872 9.217 23.749 1.00 24.05 H new ATOM 2964 N TYR B 76 2.410 8.414 21.391 1.00 51.21 N ATOM 2965 CA TYR B 76 3.562 7.841 20.651 1.00 14.12 C ATOM 2966 C TYR B 76 3.210 7.637 19.163 1.00 44.31 C ATOM 2967 O TYR B 76 3.865 8.210 18.293 1.00 12.32 O ATOM 2968 CB TYR B 76 4.049 6.496 21.286 1.00 22.31 C ATOM 2969 CG TYR B 76 4.988 5.672 20.372 1.00 62.12 C ATOM 2970 CD1 TYR B 76 4.571 4.462 19.801 1.00 75.42 C ATOM 2971 CD2 TYR B 76 6.266 6.135 20.037 1.00 2.21 C ATOM 2972 CE1 TYR B 76 5.380 3.759 18.935 1.00 32.20 C ATOM 2973 CE2 TYR B 76 7.083 5.419 19.176 1.00 71.44 C ATOM 2974 CZ TYR B 76 6.631 4.232 18.626 1.00 54.03 C ATOM 2975 OH TYR B 76 7.419 3.525 17.745 1.00 4.13 O ATOM 0 H TYR B 76 2.074 7.829 22.156 1.00 51.21 H new ATOM 0 HA TYR B 76 4.381 8.557 20.722 1.00 14.12 H new ATOM 0 HB2 TYR B 76 4.567 6.714 22.220 1.00 22.31 H new ATOM 0 HB3 TYR B 76 3.179 5.889 21.538 1.00 22.31 H new ATOM 0 HD1 TYR B 76 3.594 4.072 20.045 1.00 75.42 H new ATOM 0 HD2 TYR B 76 6.621 7.065 20.456 1.00 2.21 H new ATOM 0 HE1 TYR B 76 5.030 2.835 18.499 1.00 32.20 H new ATOM 0 HE2 TYR B 76 8.070 5.786 18.935 1.00 71.44 H new ATOM 0 HH TYR B 76 8.356 3.790 17.859 1.00 4.13 H new ATOM 2985 N ASP B 77 2.150 6.849 18.909 1.00 11.33 N ATOM 2986 CA ASP B 77 1.703 6.485 17.547 1.00 65.23 C ATOM 2987 C ASP B 77 1.188 7.722 16.785 1.00 42.11 C ATOM 2988 O ASP B 77 1.267 7.781 15.551 1.00 72.23 O ATOM 2989 CB ASP B 77 0.598 5.393 17.609 1.00 41.44 C ATOM 2990 CG ASP B 77 1.077 4.056 18.212 1.00 31.34 C ATOM 2991 OD1 ASP B 77 1.177 3.043 17.474 1.00 14.14 O ATOM 2992 OD2 ASP B 77 1.358 4.020 19.429 1.00 50.22 O ATOM 0 H ASP B 77 1.574 6.443 19.646 1.00 11.33 H new ATOM 0 HA ASP B 77 2.562 6.085 17.008 1.00 65.23 H new ATOM 0 HB2 ASP B 77 -0.238 5.768 18.199 1.00 41.44 H new ATOM 0 HB3 ASP B 77 0.222 5.213 16.602 1.00 41.44 H new ATOM 2997 N ARG B 78 0.673 8.707 17.545 1.00 72.54 N ATOM 2998 CA ARG B 78 0.135 9.955 16.987 1.00 15.21 C ATOM 2999 C ARG B 78 1.275 10.811 16.406 1.00 21.21 C ATOM 3000 O ARG B 78 1.277 11.105 15.217 1.00 34.01 O ATOM 3001 CB ARG B 78 -0.634 10.728 18.090 1.00 45.15 C ATOM 3002 CG ARG B 78 -1.390 11.979 17.599 1.00 4.24 C ATOM 3003 CD ARG B 78 -2.050 12.752 18.751 1.00 75.32 C ATOM 3004 NE ARG B 78 -2.981 11.907 19.528 1.00 52.44 N ATOM 3005 CZ ARG B 78 -3.065 11.869 20.870 1.00 25.54 C ATOM 3006 NH1 ARG B 78 -2.267 12.621 21.632 1.00 65.34 N ATOM 3007 NH2 ARG B 78 -3.951 11.073 21.440 1.00 44.31 N ATOM 0 H ARG B 78 0.620 8.657 18.562 1.00 72.54 H new ATOM 0 HA ARG B 78 -0.558 9.723 16.178 1.00 15.21 H new ATOM 0 HB2 ARG B 78 -1.348 10.050 18.558 1.00 45.15 H new ATOM 0 HB3 ARG B 78 0.073 11.029 18.863 1.00 45.15 H new ATOM 0 HG2 ARG B 78 -0.697 12.636 17.074 1.00 4.24 H new ATOM 0 HG3 ARG B 78 -2.153 11.681 16.880 1.00 4.24 H new ATOM 0 HD2 ARG B 78 -1.278 13.143 19.413 1.00 75.32 H new ATOM 0 HD3 ARG B 78 -2.589 13.610 18.349 1.00 75.32 H new ATOM 0 HE ARG B 78 -3.612 11.302 19.003 1.00 52.44 H new ATOM 0 HH11 ARG B 78 -1.580 13.237 21.198 1.00 65.34 H new ATOM 0 HH12 ARG B 78 -2.345 12.579 22.648 1.00 65.34 H new ATOM 0 HH21 ARG B 78 -4.563 10.495 20.864 1.00 44.31 H new ATOM 0 HH22 ARG B 78 -4.024 11.036 22.457 1.00 44.31 H new ATOM 3021 N ASP B 79 2.279 11.122 17.252 1.00 15.02 N ATOM 3022 CA ASP B 79 3.462 11.931 16.866 1.00 23.31 C ATOM 3023 C ASP B 79 4.375 11.170 15.887 1.00 14.00 C ATOM 3024 O ASP B 79 5.159 11.781 15.148 1.00 43.31 O ATOM 3025 CB ASP B 79 4.264 12.351 18.129 1.00 11.34 C ATOM 3026 CG ASP B 79 3.543 13.412 18.990 1.00 24.32 C ATOM 3027 OD1 ASP B 79 3.823 14.614 18.833 1.00 62.30 O ATOM 3028 OD2 ASP B 79 2.684 13.053 19.816 1.00 51.52 O ATOM 0 H ASP B 79 2.295 10.820 18.226 1.00 15.02 H new ATOM 0 HA ASP B 79 3.099 12.825 16.358 1.00 23.31 H new ATOM 0 HB2 ASP B 79 4.455 11.468 18.739 1.00 11.34 H new ATOM 0 HB3 ASP B 79 5.234 12.742 17.821 1.00 11.34 H new ATOM 3033 N PHE B 80 4.283 9.827 15.926 1.00 3.45 N ATOM 3034 CA PHE B 80 4.986 8.933 14.999 1.00 3.44 C ATOM 3035 C PHE B 80 4.531 9.205 13.553 1.00 31.42 C ATOM 3036 O PHE B 80 5.357 9.378 12.648 1.00 0.30 O ATOM 3037 CB PHE B 80 4.725 7.441 15.377 1.00 63.14 C ATOM 3038 CG PHE B 80 5.299 6.442 14.385 1.00 74.41 C ATOM 3039 CD1 PHE B 80 4.548 6.005 13.291 1.00 51.22 C ATOM 3040 CD2 PHE B 80 6.605 5.993 14.511 1.00 73.34 C ATOM 3041 CE1 PHE B 80 5.087 5.167 12.359 1.00 62.24 C ATOM 3042 CE2 PHE B 80 7.138 5.138 13.581 1.00 41.51 C ATOM 3043 CZ PHE B 80 6.380 4.728 12.499 1.00 44.03 C ATOM 0 H PHE B 80 3.712 9.332 16.611 1.00 3.45 H new ATOM 0 HA PHE B 80 6.056 9.126 15.073 1.00 3.44 H new ATOM 0 HB2 PHE B 80 5.152 7.246 16.361 1.00 63.14 H new ATOM 0 HB3 PHE B 80 3.650 7.280 15.458 1.00 63.14 H new ATOM 0 HD1 PHE B 80 3.526 6.335 13.181 1.00 51.22 H new ATOM 0 HD2 PHE B 80 7.206 6.319 15.347 1.00 73.34 H new ATOM 0 HE1 PHE B 80 4.497 4.849 11.512 1.00 62.24 H new ATOM 0 HE2 PHE B 80 8.152 4.784 13.694 1.00 41.51 H new ATOM 0 HZ PHE B 80 6.806 4.062 11.763 1.00 44.03 H new ATOM 3053 N CYS B 81 3.205 9.192 13.363 1.00 70.14 N ATOM 3054 CA CYS B 81 2.581 9.326 12.040 1.00 55.52 C ATOM 3055 C CYS B 81 2.466 10.804 11.629 1.00 32.23 C ATOM 3056 O CYS B 81 2.465 11.119 10.439 1.00 64.15 O ATOM 3057 CB CYS B 81 1.201 8.642 12.051 1.00 45.41 C ATOM 3058 SG CYS B 81 1.277 6.878 12.429 1.00 41.24 S ATOM 0 H CYS B 81 2.534 9.088 14.124 1.00 70.14 H new ATOM 0 HA CYS B 81 3.212 8.834 11.300 1.00 55.52 H new ATOM 0 HB2 CYS B 81 0.565 9.136 12.785 1.00 45.41 H new ATOM 0 HB3 CYS B 81 0.729 8.777 11.078 1.00 45.41 H new ATOM 0 HG CYS B 81 1.276 6.710 13.718 1.00 41.24 H new ATOM 3064 N LYS B 82 2.391 11.705 12.625 1.00 22.35 N ATOM 3065 CA LYS B 82 2.377 13.157 12.396 1.00 65.21 C ATOM 3066 C LYS B 82 3.810 13.644 12.162 1.00 33.20 C ATOM 3067 O LYS B 82 4.518 14.044 13.094 1.00 11.24 O ATOM 3068 CB LYS B 82 1.724 13.914 13.579 1.00 34.24 C ATOM 3069 CG LYS B 82 0.207 13.690 13.729 1.00 24.43 C ATOM 3070 CD LYS B 82 -0.411 14.463 14.923 1.00 35.01 C ATOM 3071 CE LYS B 82 -0.543 15.985 14.699 1.00 43.05 C ATOM 3072 NZ LYS B 82 0.763 16.698 14.633 1.00 2.44 N ATOM 0 H LYS B 82 2.339 11.445 13.610 1.00 22.35 H new ATOM 0 HA LYS B 82 1.774 13.366 11.512 1.00 65.21 H new ATOM 0 HB2 LYS B 82 2.215 13.609 14.503 1.00 34.24 H new ATOM 0 HB3 LYS B 82 1.909 14.981 13.456 1.00 34.24 H new ATOM 0 HG2 LYS B 82 -0.291 13.997 12.809 1.00 24.43 H new ATOM 0 HG3 LYS B 82 0.015 12.625 13.856 1.00 24.43 H new ATOM 0 HD2 LYS B 82 -1.398 14.052 15.134 1.00 35.01 H new ATOM 0 HD3 LYS B 82 0.202 14.290 15.808 1.00 35.01 H new ATOM 0 HE2 LYS B 82 -1.089 16.160 13.772 1.00 43.05 H new ATOM 0 HE3 LYS B 82 -1.139 16.411 15.506 1.00 43.05 H new ATOM 0 HZ1 LYS B 82 0.671 17.634 15.078 1.00 2.44 H new ATOM 0 HZ2 LYS B 82 1.486 16.145 15.136 1.00 2.44 H new ATOM 0 HZ3 LYS B 82 1.046 16.813 13.639 1.00 2.44 H new ATOM 3086 N VAL B 83 4.240 13.524 10.906 1.00 33.31 N ATOM 3087 CA VAL B 83 5.560 13.964 10.441 1.00 41.45 C ATOM 3088 C VAL B 83 5.393 14.959 9.280 1.00 25.10 C ATOM 3089 O VAL B 83 4.260 15.302 8.904 1.00 70.11 O ATOM 3090 CB VAL B 83 6.452 12.727 10.025 1.00 1.54 C ATOM 3091 CG1 VAL B 83 6.851 11.890 11.263 1.00 14.52 C ATOM 3092 CG2 VAL B 83 5.750 11.842 8.963 1.00 4.33 C ATOM 0 H VAL B 83 3.671 13.110 10.167 1.00 33.31 H new ATOM 0 HA VAL B 83 6.076 14.471 11.256 1.00 41.45 H new ATOM 0 HB VAL B 83 7.361 13.122 9.572 1.00 1.54 H new ATOM 0 HG11 VAL B 83 7.464 11.045 10.949 1.00 14.52 H new ATOM 0 HG12 VAL B 83 7.418 12.512 11.956 1.00 14.52 H new ATOM 0 HG13 VAL B 83 5.953 11.522 11.758 1.00 14.52 H new ATOM 0 HG21 VAL B 83 6.396 11.003 8.704 1.00 4.33 H new ATOM 0 HG22 VAL B 83 4.810 11.465 9.367 1.00 4.33 H new ATOM 0 HG23 VAL B 83 5.550 12.435 8.070 1.00 4.33 H new ATOM 3102 N ASP B 84 6.527 15.422 8.733 1.00 75.31 N ATOM 3103 CA ASP B 84 6.562 16.431 7.653 1.00 52.21 C ATOM 3104 C ASP B 84 5.921 15.860 6.365 1.00 1.44 C ATOM 3105 O ASP B 84 5.938 14.642 6.163 1.00 53.52 O ATOM 3106 CB ASP B 84 8.033 16.875 7.421 1.00 1.51 C ATOM 3107 CG ASP B 84 8.214 18.023 6.414 1.00 12.45 C ATOM 3108 OD1 ASP B 84 9.184 17.994 5.626 1.00 23.50 O ATOM 3109 OD2 ASP B 84 7.403 18.973 6.420 1.00 23.54 O ATOM 0 H ASP B 84 7.452 15.108 9.026 1.00 75.31 H new ATOM 0 HA ASP B 84 5.980 17.307 7.940 1.00 52.21 H new ATOM 0 HB2 ASP B 84 8.460 17.179 8.377 1.00 1.51 H new ATOM 0 HB3 ASP B 84 8.606 16.015 7.075 1.00 1.51 H new ATOM 3114 N GLN B 85 5.379 16.753 5.510 1.00 71.24 N ATOM 3115 CA GLN B 85 4.561 16.375 4.326 1.00 11.33 C ATOM 3116 C GLN B 85 5.290 15.375 3.365 1.00 25.44 C ATOM 3117 O GLN B 85 4.696 14.345 3.016 1.00 54.53 O ATOM 3118 CB GLN B 85 4.069 17.651 3.571 1.00 14.33 C ATOM 3119 CG GLN B 85 3.141 17.396 2.357 1.00 64.31 C ATOM 3120 CD GLN B 85 1.817 16.712 2.718 1.00 13.22 C ATOM 3121 OE1 GLN B 85 1.292 16.876 3.819 1.00 22.15 O ATOM 3122 NE2 GLN B 85 1.250 15.971 1.783 1.00 3.22 N ATOM 0 H GLN B 85 5.494 17.761 5.617 1.00 71.24 H new ATOM 0 HA GLN B 85 3.690 15.837 4.700 1.00 11.33 H new ATOM 0 HB2 GLN B 85 3.542 18.290 4.280 1.00 14.33 H new ATOM 0 HB3 GLN B 85 4.941 18.207 3.228 1.00 14.33 H new ATOM 0 HG2 GLN B 85 2.926 18.348 1.871 1.00 64.31 H new ATOM 0 HG3 GLN B 85 3.671 16.779 1.631 1.00 64.31 H new ATOM 0 HE21 GLN B 85 1.708 15.852 0.879 1.00 3.22 H new ATOM 0 HE22 GLN B 85 0.355 15.518 1.965 1.00 3.22 H new ATOM 3131 N PRO B 86 6.580 15.630 2.924 1.00 5.42 N ATOM 3132 CA PRO B 86 7.371 14.630 2.152 1.00 73.14 C ATOM 3133 C PRO B 86 7.672 13.338 2.946 1.00 33.32 C ATOM 3134 O PRO B 86 7.669 12.245 2.368 1.00 42.42 O ATOM 3135 CB PRO B 86 8.679 15.386 1.808 1.00 0.34 C ATOM 3136 CG PRO B 86 8.325 16.831 1.917 1.00 43.12 C ATOM 3137 CD PRO B 86 7.350 16.901 3.059 1.00 0.32 C ATOM 0 HA PRO B 86 6.822 14.281 1.277 1.00 73.14 H new ATOM 0 HB2 PRO B 86 9.481 15.122 2.497 1.00 0.34 H new ATOM 0 HB3 PRO B 86 9.027 15.139 0.805 1.00 0.34 H new ATOM 0 HG2 PRO B 86 9.207 17.441 2.112 1.00 43.12 H new ATOM 0 HG3 PRO B 86 7.880 17.200 0.993 1.00 43.12 H new ATOM 0 HD2 PRO B 86 7.859 16.964 4.021 1.00 0.32 H new ATOM 0 HD3 PRO B 86 6.703 17.775 2.984 1.00 0.32 H new ATOM 3145 N THR B 87 7.923 13.487 4.267 1.00 71.02 N ATOM 3146 CA THR B 87 8.259 12.363 5.176 1.00 53.31 C ATOM 3147 C THR B 87 7.076 11.361 5.289 1.00 21.30 C ATOM 3148 O THR B 87 7.282 10.153 5.457 1.00 12.21 O ATOM 3149 CB THR B 87 8.655 12.901 6.597 1.00 43.20 C ATOM 3150 OG1 THR B 87 9.613 13.968 6.468 1.00 54.45 O ATOM 3151 CG2 THR B 87 9.245 11.807 7.511 1.00 72.11 C ATOM 0 H THR B 87 7.898 14.393 4.736 1.00 71.02 H new ATOM 0 HA THR B 87 9.113 11.834 4.752 1.00 53.31 H new ATOM 0 HB THR B 87 7.736 13.260 7.061 1.00 43.20 H new ATOM 0 HG1 THR B 87 9.867 14.289 7.358 1.00 54.45 H new ATOM 0 HG21 THR B 87 9.499 12.239 8.479 1.00 72.11 H new ATOM 0 HG22 THR B 87 8.510 11.014 7.650 1.00 72.11 H new ATOM 0 HG23 THR B 87 10.143 11.394 7.051 1.00 72.11 H new ATOM 3159 N LEU B 88 5.840 11.896 5.173 1.00 15.31 N ATOM 3160 CA LEU B 88 4.593 11.101 5.105 1.00 11.01 C ATOM 3161 C LEU B 88 4.617 10.163 3.887 1.00 14.04 C ATOM 3162 O LEU B 88 4.369 8.960 4.012 1.00 61.45 O ATOM 3163 CB LEU B 88 3.369 12.061 5.026 1.00 45.24 C ATOM 3164 CG LEU B 88 3.016 12.825 6.340 1.00 21.00 C ATOM 3165 CD1 LEU B 88 2.052 13.999 6.078 1.00 71.32 C ATOM 3166 CD2 LEU B 88 2.436 11.855 7.387 1.00 74.04 C ATOM 0 H LEU B 88 5.678 12.902 5.123 1.00 15.31 H new ATOM 0 HA LEU B 88 4.512 10.489 6.003 1.00 11.01 H new ATOM 0 HB2 LEU B 88 3.557 12.794 4.242 1.00 45.24 H new ATOM 0 HB3 LEU B 88 2.497 11.483 4.720 1.00 45.24 H new ATOM 0 HG LEU B 88 3.938 13.250 6.735 1.00 21.00 H new ATOM 0 HD11 LEU B 88 1.831 14.505 7.018 1.00 71.32 H new ATOM 0 HD12 LEU B 88 2.515 14.703 5.387 1.00 71.32 H new ATOM 0 HD13 LEU B 88 1.127 13.620 5.644 1.00 71.32 H new ATOM 0 HD21 LEU B 88 2.195 12.404 8.297 1.00 74.04 H new ATOM 0 HD22 LEU B 88 1.532 11.392 6.992 1.00 74.04 H new ATOM 0 HD23 LEU B 88 3.170 11.082 7.613 1.00 74.04 H new ATOM 3178 N PHE B 89 4.961 10.737 2.716 1.00 43.41 N ATOM 3179 CA PHE B 89 5.059 9.988 1.448 1.00 72.31 C ATOM 3180 C PHE B 89 6.215 8.977 1.486 1.00 52.11 C ATOM 3181 O PHE B 89 6.123 7.927 0.864 1.00 40.32 O ATOM 3182 CB PHE B 89 5.211 10.946 0.236 1.00 23.53 C ATOM 3183 CG PHE B 89 4.004 11.857 0.020 1.00 14.34 C ATOM 3184 CD1 PHE B 89 2.741 11.314 -0.212 1.00 44.13 C ATOM 3185 CD2 PHE B 89 4.124 13.248 0.048 1.00 1.31 C ATOM 3186 CE1 PHE B 89 1.641 12.127 -0.407 1.00 41.21 C ATOM 3187 CE2 PHE B 89 3.025 14.059 -0.151 1.00 41.32 C ATOM 3188 CZ PHE B 89 1.782 13.500 -0.376 1.00 63.04 C ATOM 0 H PHE B 89 5.178 11.729 2.624 1.00 43.41 H new ATOM 0 HA PHE B 89 4.128 9.434 1.326 1.00 72.31 H new ATOM 0 HB2 PHE B 89 6.099 11.562 0.380 1.00 23.53 H new ATOM 0 HB3 PHE B 89 5.375 10.355 -0.665 1.00 23.53 H new ATOM 0 HD1 PHE B 89 2.621 10.241 -0.240 1.00 44.13 H new ATOM 0 HD2 PHE B 89 5.090 13.696 0.228 1.00 1.31 H new ATOM 0 HE1 PHE B 89 0.670 11.688 -0.584 1.00 41.21 H new ATOM 0 HE2 PHE B 89 3.137 15.133 -0.131 1.00 41.32 H new ATOM 0 HZ PHE B 89 0.922 14.136 -0.527 1.00 63.04 H new ATOM 3198 N GLU B 90 7.286 9.303 2.233 1.00 3.41 N ATOM 3199 CA GLU B 90 8.427 8.389 2.444 1.00 64.11 C ATOM 3200 C GLU B 90 8.003 7.131 3.223 1.00 64.25 C ATOM 3201 O GLU B 90 8.479 6.032 2.932 1.00 22.50 O ATOM 3202 CB GLU B 90 9.580 9.106 3.183 1.00 0.45 C ATOM 3203 CG GLU B 90 10.285 10.197 2.363 1.00 20.20 C ATOM 3204 CD GLU B 90 10.916 9.650 1.067 1.00 71.51 C ATOM 3205 OE1 GLU B 90 11.929 8.918 1.159 1.00 21.04 O ATOM 3206 OE2 GLU B 90 10.415 9.950 -0.038 1.00 34.24 O ATOM 0 H GLU B 90 7.386 10.202 2.705 1.00 3.41 H new ATOM 0 HA GLU B 90 8.780 8.079 1.461 1.00 64.11 H new ATOM 0 HB2 GLU B 90 9.186 9.553 4.096 1.00 0.45 H new ATOM 0 HB3 GLU B 90 10.318 8.363 3.485 1.00 0.45 H new ATOM 0 HG2 GLU B 90 9.568 10.978 2.112 1.00 20.20 H new ATOM 0 HG3 GLU B 90 11.060 10.661 2.973 1.00 20.20 H new ATOM 3213 N LEU B 91 7.110 7.313 4.214 1.00 12.33 N ATOM 3214 CA LEU B 91 6.549 6.201 5.013 1.00 54.14 C ATOM 3215 C LEU B 91 5.585 5.339 4.164 1.00 11.42 C ATOM 3216 O LEU B 91 5.512 4.124 4.350 1.00 43.12 O ATOM 3217 CB LEU B 91 5.820 6.749 6.276 1.00 51.24 C ATOM 3218 CG LEU B 91 6.694 7.509 7.328 1.00 12.42 C ATOM 3219 CD1 LEU B 91 5.821 8.066 8.482 1.00 63.43 C ATOM 3220 CD2 LEU B 91 7.831 6.609 7.856 1.00 2.12 C ATOM 0 H LEU B 91 6.757 8.231 4.485 1.00 12.33 H new ATOM 0 HA LEU B 91 7.375 5.567 5.336 1.00 54.14 H new ATOM 0 HB2 LEU B 91 5.028 7.421 5.945 1.00 51.24 H new ATOM 0 HB3 LEU B 91 5.337 5.911 6.779 1.00 51.24 H new ATOM 0 HG LEU B 91 7.156 8.362 6.831 1.00 12.42 H new ATOM 0 HD11 LEU B 91 6.455 8.589 9.198 1.00 63.43 H new ATOM 0 HD12 LEU B 91 5.082 8.758 8.078 1.00 63.43 H new ATOM 0 HD13 LEU B 91 5.311 7.243 8.983 1.00 63.43 H new ATOM 0 HD21 LEU B 91 8.423 7.161 8.586 1.00 2.12 H new ATOM 0 HD22 LEU B 91 7.405 5.725 8.330 1.00 2.12 H new ATOM 0 HD23 LEU B 91 8.469 6.305 7.026 1.00 2.12 H new ATOM 3232 N ILE B 92 4.855 5.993 3.230 1.00 51.22 N ATOM 3233 CA ILE B 92 3.958 5.305 2.271 1.00 53.22 C ATOM 3234 C ILE B 92 4.788 4.445 1.282 1.00 21.11 C ATOM 3235 O ILE B 92 4.465 3.277 1.044 1.00 32.33 O ATOM 3236 CB ILE B 92 3.049 6.337 1.479 1.00 55.21 C ATOM 3237 CG1 ILE B 92 2.135 7.140 2.463 1.00 14.42 C ATOM 3238 CG2 ILE B 92 2.195 5.637 0.388 1.00 34.32 C ATOM 3239 CD1 ILE B 92 1.287 8.232 1.818 1.00 71.42 C ATOM 0 H ILE B 92 4.871 7.007 3.120 1.00 51.22 H new ATOM 0 HA ILE B 92 3.297 4.653 2.842 1.00 53.22 H new ATOM 0 HB ILE B 92 3.716 7.036 0.974 1.00 55.21 H new ATOM 0 HG12 ILE B 92 1.472 6.440 2.971 1.00 14.42 H new ATOM 0 HG13 ILE B 92 2.764 7.595 3.228 1.00 14.42 H new ATOM 0 HG21 ILE B 92 1.588 6.379 -0.130 1.00 34.32 H new ATOM 0 HG22 ILE B 92 2.852 5.143 -0.327 1.00 34.32 H new ATOM 0 HG23 ILE B 92 1.544 4.897 0.854 1.00 34.32 H new ATOM 0 HD11 ILE B 92 0.690 8.729 2.583 1.00 71.42 H new ATOM 0 HD12 ILE B 92 1.938 8.961 1.335 1.00 71.42 H new ATOM 0 HD13 ILE B 92 0.626 7.788 1.074 1.00 71.42 H new ATOM 3251 N LEU B 93 5.884 5.040 0.752 1.00 1.53 N ATOM 3252 CA LEU B 93 6.807 4.370 -0.197 1.00 41.31 C ATOM 3253 C LEU B 93 7.521 3.185 0.480 1.00 14.11 C ATOM 3254 O LEU B 93 7.681 2.120 -0.123 1.00 14.14 O ATOM 3255 CB LEU B 93 7.863 5.383 -0.747 1.00 32.53 C ATOM 3256 CG LEU B 93 7.330 6.518 -1.684 1.00 71.13 C ATOM 3257 CD1 LEU B 93 8.451 7.527 -2.042 1.00 40.21 C ATOM 3258 CD2 LEU B 93 6.666 5.933 -2.949 1.00 10.22 C ATOM 0 H LEU B 93 6.153 5.999 0.971 1.00 1.53 H new ATOM 0 HA LEU B 93 6.215 3.992 -1.030 1.00 41.31 H new ATOM 0 HB2 LEU B 93 8.361 5.850 0.103 1.00 32.53 H new ATOM 0 HB3 LEU B 93 8.622 4.821 -1.292 1.00 32.53 H new ATOM 0 HG LEU B 93 6.563 7.066 -1.137 1.00 71.13 H new ATOM 0 HD11 LEU B 93 8.048 8.302 -2.694 1.00 40.21 H new ATOM 0 HD12 LEU B 93 8.835 7.983 -1.130 1.00 40.21 H new ATOM 0 HD13 LEU B 93 9.259 7.006 -2.555 1.00 40.21 H new ATOM 0 HD21 LEU B 93 6.306 6.746 -3.580 1.00 10.22 H new ATOM 0 HD22 LEU B 93 7.395 5.340 -3.502 1.00 10.22 H new ATOM 0 HD23 LEU B 93 5.828 5.299 -2.660 1.00 10.22 H new ATOM 3270 N ALA B 94 7.925 3.392 1.750 1.00 33.13 N ATOM 3271 CA ALA B 94 8.655 2.389 2.544 1.00 40.33 C ATOM 3272 C ALA B 94 7.753 1.208 2.920 1.00 65.24 C ATOM 3273 O ALA B 94 8.176 0.061 2.851 1.00 4.10 O ATOM 3274 CB ALA B 94 9.237 3.034 3.805 1.00 50.14 C ATOM 0 H ALA B 94 7.753 4.263 2.253 1.00 33.13 H new ATOM 0 HA ALA B 94 9.470 2.005 1.931 1.00 40.33 H new ATOM 0 HB1 ALA B 94 9.774 2.282 4.383 1.00 50.14 H new ATOM 0 HB2 ALA B 94 9.923 3.832 3.522 1.00 50.14 H new ATOM 0 HB3 ALA B 94 8.429 3.447 4.409 1.00 50.14 H new ATOM 3280 N ALA B 95 6.503 1.513 3.314 1.00 14.34 N ATOM 3281 CA ALA B 95 5.523 0.491 3.734 1.00 3.43 C ATOM 3282 C ALA B 95 4.994 -0.314 2.530 1.00 2.45 C ATOM 3283 O ALA B 95 4.595 -1.467 2.687 1.00 54.10 O ATOM 3284 CB ALA B 95 4.375 1.145 4.497 1.00 73.23 C ATOM 0 H ALA B 95 6.144 2.467 3.351 1.00 14.34 H new ATOM 0 HA ALA B 95 6.029 -0.211 4.397 1.00 3.43 H new ATOM 0 HB1 ALA B 95 3.659 0.382 4.801 1.00 73.23 H new ATOM 0 HB2 ALA B 95 4.766 1.649 5.381 1.00 73.23 H new ATOM 0 HB3 ALA B 95 3.879 1.872 3.854 1.00 73.23 H new ATOM 3290 N ASN B 96 4.960 0.335 1.346 1.00 60.54 N ATOM 3291 CA ASN B 96 4.632 -0.320 0.052 1.00 31.43 C ATOM 3292 C ASN B 96 5.779 -1.289 -0.342 1.00 43.54 C ATOM 3293 O ASN B 96 5.546 -2.449 -0.698 1.00 2.02 O ATOM 3294 CB ASN B 96 4.418 0.778 -1.046 1.00 52.14 C ATOM 3295 CG ASN B 96 3.802 0.284 -2.378 1.00 72.11 C ATOM 3296 OD1 ASN B 96 3.942 -0.871 -2.777 1.00 4.04 O ATOM 3297 ND2 ASN B 96 3.136 1.184 -3.097 1.00 12.24 N ATOM 0 H ASN B 96 5.159 1.331 1.256 1.00 60.54 H new ATOM 0 HA ASN B 96 3.712 -0.898 0.146 1.00 31.43 H new ATOM 0 HB2 ASN B 96 3.774 1.556 -0.635 1.00 52.14 H new ATOM 0 HB3 ASN B 96 5.380 1.242 -1.262 1.00 52.14 H new ATOM 0 HD21 ASN B 96 2.731 0.921 -3.995 1.00 12.24 H new ATOM 0 HD22 ASN B 96 3.030 2.137 -2.750 1.00 12.24 H new ATOM 3304 N TYR B 97 7.020 -0.786 -0.208 1.00 34.42 N ATOM 3305 CA TYR B 97 8.263 -1.505 -0.582 1.00 64.33 C ATOM 3306 C TYR B 97 8.546 -2.698 0.361 1.00 50.21 C ATOM 3307 O TYR B 97 9.037 -3.748 -0.078 1.00 43.12 O ATOM 3308 CB TYR B 97 9.445 -0.492 -0.576 1.00 42.31 C ATOM 3309 CG TYR B 97 10.849 -1.089 -0.763 1.00 25.34 C ATOM 3310 CD1 TYR B 97 11.749 -1.142 0.301 1.00 24.53 C ATOM 3311 CD2 TYR B 97 11.270 -1.600 -1.998 1.00 40.14 C ATOM 3312 CE1 TYR B 97 13.001 -1.682 0.151 1.00 65.12 C ATOM 3313 CE2 TYR B 97 12.535 -2.143 -2.151 1.00 33.04 C ATOM 3314 CZ TYR B 97 13.398 -2.178 -1.069 1.00 14.31 C ATOM 3315 OH TYR B 97 14.657 -2.730 -1.194 1.00 23.33 O ATOM 0 H TYR B 97 7.196 0.146 0.169 1.00 34.42 H new ATOM 0 HA TYR B 97 8.142 -1.925 -1.581 1.00 64.33 H new ATOM 0 HB2 TYR B 97 9.275 0.238 -1.367 1.00 42.31 H new ATOM 0 HB3 TYR B 97 9.426 0.051 0.369 1.00 42.31 H new ATOM 0 HD1 TYR B 97 11.454 -0.750 1.263 1.00 24.53 H new ATOM 0 HD2 TYR B 97 10.598 -1.570 -2.843 1.00 40.14 H new ATOM 0 HE1 TYR B 97 13.677 -1.718 0.993 1.00 65.12 H new ATOM 0 HE2 TYR B 97 12.846 -2.536 -3.108 1.00 33.04 H new ATOM 0 HH TYR B 97 14.790 -3.037 -2.115 1.00 23.33 H new ATOM 3325 N LEU B 98 8.246 -2.518 1.658 1.00 64.52 N ATOM 3326 CA LEU B 98 8.441 -3.561 2.695 1.00 43.10 C ATOM 3327 C LEU B 98 7.172 -4.407 2.861 1.00 52.30 C ATOM 3328 O LEU B 98 7.184 -5.407 3.590 1.00 33.31 O ATOM 3329 CB LEU B 98 8.840 -2.913 4.047 1.00 10.51 C ATOM 3330 CG LEU B 98 10.181 -2.123 4.053 1.00 72.31 C ATOM 3331 CD1 LEU B 98 10.409 -1.437 5.414 1.00 51.12 C ATOM 3332 CD2 LEU B 98 11.364 -3.035 3.660 1.00 73.05 C ATOM 0 H LEU B 98 7.861 -1.647 2.024 1.00 64.52 H new ATOM 0 HA LEU B 98 9.249 -4.217 2.372 1.00 43.10 H new ATOM 0 HB2 LEU B 98 8.041 -2.237 4.354 1.00 10.51 H new ATOM 0 HB3 LEU B 98 8.900 -3.698 4.800 1.00 10.51 H new ATOM 0 HG LEU B 98 10.118 -1.337 3.301 1.00 72.31 H new ATOM 0 HD11 LEU B 98 11.352 -0.891 5.393 1.00 51.12 H new ATOM 0 HD12 LEU B 98 9.593 -0.743 5.613 1.00 51.12 H new ATOM 0 HD13 LEU B 98 10.443 -2.191 6.200 1.00 51.12 H new ATOM 0 HD21 LEU B 98 12.288 -2.457 3.672 1.00 73.05 H new ATOM 0 HD22 LEU B 98 11.441 -3.858 4.371 1.00 73.05 H new ATOM 0 HD23 LEU B 98 11.199 -3.434 2.659 1.00 73.05 H new ATOM 3344 N ASP B 99 6.083 -3.969 2.198 1.00 23.31 N ATOM 3345 CA ASP B 99 4.800 -4.697 2.127 1.00 32.10 C ATOM 3346 C ASP B 99 4.109 -4.741 3.517 1.00 2.30 C ATOM 3347 O ASP B 99 3.263 -5.606 3.781 1.00 43.24 O ATOM 3348 CB ASP B 99 5.027 -6.123 1.522 1.00 20.41 C ATOM 3349 CG ASP B 99 3.890 -6.607 0.611 1.00 70.00 C ATOM 3350 OD1 ASP B 99 4.006 -6.436 -0.626 1.00 33.43 O ATOM 3351 OD2 ASP B 99 2.891 -7.176 1.108 1.00 23.21 O ATOM 0 H ASP B 99 6.070 -3.085 1.689 1.00 23.31 H new ATOM 0 HA ASP B 99 4.121 -4.164 1.462 1.00 32.10 H new ATOM 0 HB2 ASP B 99 5.957 -6.121 0.954 1.00 20.41 H new ATOM 0 HB3 ASP B 99 5.153 -6.836 2.337 1.00 20.41 H new ATOM 3356 N ILE B 100 4.479 -3.782 4.402 1.00 5.33 N ATOM 3357 CA ILE B 100 3.898 -3.654 5.748 1.00 53.24 C ATOM 3358 C ILE B 100 2.594 -2.848 5.643 1.00 45.31 C ATOM 3359 O ILE B 100 2.581 -1.624 5.774 1.00 30.22 O ATOM 3360 CB ILE B 100 4.883 -2.988 6.788 1.00 70.44 C ATOM 3361 CG1 ILE B 100 6.261 -3.714 6.762 1.00 3.24 C ATOM 3362 CG2 ILE B 100 4.271 -3.002 8.221 1.00 24.55 C ATOM 3363 CD1 ILE B 100 7.305 -3.187 7.732 1.00 52.12 C ATOM 0 H ILE B 100 5.189 -3.079 4.196 1.00 5.33 H new ATOM 0 HA ILE B 100 3.700 -4.657 6.127 1.00 53.24 H new ATOM 0 HB ILE B 100 5.036 -1.947 6.504 1.00 70.44 H new ATOM 0 HG12 ILE B 100 6.098 -4.771 6.973 1.00 3.24 H new ATOM 0 HG13 ILE B 100 6.665 -3.649 5.752 1.00 3.24 H new ATOM 0 HG21 ILE B 100 4.968 -2.538 8.919 1.00 24.55 H new ATOM 0 HG22 ILE B 100 3.333 -2.446 8.222 1.00 24.55 H new ATOM 0 HG23 ILE B 100 4.083 -4.031 8.526 1.00 24.55 H new ATOM 0 HD11 ILE B 100 8.223 -3.765 7.628 1.00 52.12 H new ATOM 0 HD12 ILE B 100 7.509 -2.139 7.513 1.00 52.12 H new ATOM 0 HD13 ILE B 100 6.933 -3.278 8.752 1.00 52.12 H new ATOM 3375 N LYS B 101 1.521 -3.585 5.341 1.00 32.34 N ATOM 3376 CA LYS B 101 0.150 -3.063 5.212 1.00 13.41 C ATOM 3377 C LYS B 101 -0.406 -2.487 6.553 1.00 5.12 C ATOM 3378 O LYS B 101 -1.127 -1.493 6.503 1.00 40.33 O ATOM 3379 CB LYS B 101 -0.767 -4.177 4.653 1.00 32.33 C ATOM 3380 CG LYS B 101 -0.252 -4.794 3.335 1.00 41.05 C ATOM 3381 CD LYS B 101 -1.026 -6.061 2.931 1.00 63.32 C ATOM 3382 CE LYS B 101 -0.473 -6.693 1.649 1.00 3.13 C ATOM 3383 NZ LYS B 101 -1.250 -7.891 1.232 1.00 73.24 N ATOM 0 H LYS B 101 1.580 -4.590 5.174 1.00 32.34 H new ATOM 0 HA LYS B 101 0.171 -2.224 4.516 1.00 13.41 H new ATOM 0 HB2 LYS B 101 -0.865 -4.965 5.400 1.00 32.33 H new ATOM 0 HB3 LYS B 101 -1.764 -3.768 4.488 1.00 32.33 H new ATOM 0 HG2 LYS B 101 -0.331 -4.055 2.537 1.00 41.05 H new ATOM 0 HG3 LYS B 101 0.805 -5.037 3.441 1.00 41.05 H new ATOM 0 HD2 LYS B 101 -0.979 -6.788 3.742 1.00 63.32 H new ATOM 0 HD3 LYS B 101 -2.077 -5.812 2.787 1.00 63.32 H new ATOM 0 HE2 LYS B 101 -0.488 -5.955 0.847 1.00 3.13 H new ATOM 0 HE3 LYS B 101 0.569 -6.974 1.805 1.00 3.13 H new ATOM 0 HZ1 LYS B 101 -0.632 -8.727 1.245 1.00 73.24 H new ATOM 0 HZ2 LYS B 101 -2.043 -8.036 1.889 1.00 73.24 H new ATOM 0 HZ3 LYS B 101 -1.619 -7.748 0.270 1.00 73.24 H new ATOM 3397 N PRO B 102 -0.115 -3.107 7.772 1.00 4.53 N ATOM 3398 CA PRO B 102 -0.423 -2.474 9.092 1.00 52.35 C ATOM 3399 C PRO B 102 0.044 -0.997 9.210 1.00 25.33 C ATOM 3400 O PRO B 102 -0.720 -0.140 9.651 1.00 62.11 O ATOM 3401 CB PRO B 102 0.334 -3.385 10.095 1.00 43.14 C ATOM 3402 CG PRO B 102 0.281 -4.740 9.467 1.00 11.44 C ATOM 3403 CD PRO B 102 0.419 -4.495 7.979 1.00 21.34 C ATOM 0 HA PRO B 102 -1.497 -2.410 9.265 1.00 52.35 H new ATOM 0 HB2 PRO B 102 1.362 -3.052 10.239 1.00 43.14 H new ATOM 0 HB3 PRO B 102 -0.142 -3.381 11.075 1.00 43.14 H new ATOM 0 HG2 PRO B 102 1.084 -5.377 9.837 1.00 11.44 H new ATOM 0 HG3 PRO B 102 -0.657 -5.244 9.697 1.00 11.44 H new ATOM 0 HD2 PRO B 102 1.458 -4.572 7.659 1.00 21.34 H new ATOM 0 HD3 PRO B 102 -0.146 -5.227 7.403 1.00 21.34 H new ATOM 3411 N LEU B 103 1.298 -0.715 8.796 1.00 53.11 N ATOM 3412 CA LEU B 103 1.896 0.641 8.878 1.00 24.34 C ATOM 3413 C LEU B 103 1.355 1.522 7.732 1.00 73.52 C ATOM 3414 O LEU B 103 1.029 2.699 7.945 1.00 12.03 O ATOM 3415 CB LEU B 103 3.460 0.543 8.848 1.00 52.22 C ATOM 3416 CG LEU B 103 4.298 1.858 9.113 1.00 45.12 C ATOM 3417 CD1 LEU B 103 4.544 2.702 7.838 1.00 1.51 C ATOM 3418 CD2 LEU B 103 3.645 2.712 10.217 1.00 63.24 C ATOM 0 H LEU B 103 1.924 -1.415 8.397 1.00 53.11 H new ATOM 0 HA LEU B 103 1.614 1.109 9.821 1.00 24.34 H new ATOM 0 HB2 LEU B 103 3.761 -0.198 9.588 1.00 52.22 H new ATOM 0 HB3 LEU B 103 3.750 0.155 7.872 1.00 52.22 H new ATOM 0 HG LEU B 103 5.280 1.527 9.452 1.00 45.12 H new ATOM 0 HD11 LEU B 103 5.124 3.588 8.095 1.00 1.51 H new ATOM 0 HD12 LEU B 103 5.093 2.107 7.108 1.00 1.51 H new ATOM 0 HD13 LEU B 103 3.588 3.006 7.412 1.00 1.51 H new ATOM 0 HD21 LEU B 103 4.239 3.611 10.381 1.00 63.24 H new ATOM 0 HD22 LEU B 103 2.638 2.994 9.911 1.00 63.24 H new ATOM 0 HD23 LEU B 103 3.595 2.136 11.141 1.00 63.24 H new ATOM 3430 N LEU B 104 1.248 0.916 6.534 1.00 11.15 N ATOM 3431 CA LEU B 104 0.776 1.582 5.298 1.00 62.15 C ATOM 3432 C LEU B 104 -0.626 2.175 5.493 1.00 31.44 C ATOM 3433 O LEU B 104 -0.886 3.311 5.095 1.00 61.54 O ATOM 3434 CB LEU B 104 0.765 0.557 4.129 1.00 53.34 C ATOM 3435 CG LEU B 104 0.311 1.075 2.728 1.00 23.21 C ATOM 3436 CD1 LEU B 104 1.257 2.172 2.183 1.00 62.44 C ATOM 3437 CD2 LEU B 104 0.160 -0.105 1.740 1.00 75.21 C ATOM 0 H LEU B 104 1.490 -0.065 6.392 1.00 11.15 H new ATOM 0 HA LEU B 104 1.457 2.399 5.061 1.00 62.15 H new ATOM 0 HB2 LEU B 104 1.771 0.149 4.028 1.00 53.34 H new ATOM 0 HB3 LEU B 104 0.113 -0.269 4.411 1.00 53.34 H new ATOM 0 HG LEU B 104 -0.666 1.544 2.842 1.00 23.21 H new ATOM 0 HD11 LEU B 104 0.904 2.504 1.207 1.00 62.44 H new ATOM 0 HD12 LEU B 104 1.269 3.017 2.871 1.00 62.44 H new ATOM 0 HD13 LEU B 104 2.265 1.768 2.087 1.00 62.44 H new ATOM 0 HD21 LEU B 104 -0.157 0.273 0.768 1.00 75.21 H new ATOM 0 HD22 LEU B 104 1.117 -0.617 1.636 1.00 75.21 H new ATOM 0 HD23 LEU B 104 -0.586 -0.803 2.119 1.00 75.21 H new ATOM 3449 N ASP B 105 -1.499 1.386 6.149 1.00 64.31 N ATOM 3450 CA ASP B 105 -2.893 1.765 6.427 1.00 55.15 C ATOM 3451 C ASP B 105 -2.941 2.996 7.340 1.00 51.21 C ATOM 3452 O ASP B 105 -3.620 3.972 7.034 1.00 12.54 O ATOM 3453 CB ASP B 105 -3.663 0.577 7.069 1.00 3.05 C ATOM 3454 CG ASP B 105 -5.157 0.894 7.302 1.00 53.33 C ATOM 3455 OD1 ASP B 105 -5.954 0.775 6.346 1.00 21.25 O ATOM 3456 OD2 ASP B 105 -5.540 1.292 8.432 1.00 52.13 O ATOM 0 H ASP B 105 -1.252 0.462 6.502 1.00 64.31 H new ATOM 0 HA ASP B 105 -3.378 2.017 5.484 1.00 55.15 H new ATOM 0 HB2 ASP B 105 -3.577 -0.298 6.424 1.00 3.05 H new ATOM 0 HB3 ASP B 105 -3.198 0.319 8.020 1.00 3.05 H new ATOM 3461 N VAL B 106 -2.168 2.943 8.439 1.00 3.33 N ATOM 3462 CA VAL B 106 -2.115 4.022 9.445 1.00 72.31 C ATOM 3463 C VAL B 106 -1.628 5.350 8.819 1.00 25.32 C ATOM 3464 O VAL B 106 -2.235 6.401 9.042 1.00 23.41 O ATOM 3465 CB VAL B 106 -1.204 3.616 10.664 1.00 4.41 C ATOM 3466 CG1 VAL B 106 -1.101 4.743 11.720 1.00 52.15 C ATOM 3467 CG2 VAL B 106 -1.717 2.308 11.301 1.00 31.10 C ATOM 0 H VAL B 106 -1.562 2.152 8.656 1.00 3.33 H new ATOM 0 HA VAL B 106 -3.129 4.176 9.814 1.00 72.31 H new ATOM 0 HB VAL B 106 -0.197 3.451 10.281 1.00 4.41 H new ATOM 0 HG11 VAL B 106 -0.463 4.415 12.541 1.00 52.15 H new ATOM 0 HG12 VAL B 106 -0.673 5.634 11.261 1.00 52.15 H new ATOM 0 HG13 VAL B 106 -2.095 4.974 12.103 1.00 52.15 H new ATOM 0 HG21 VAL B 106 -1.079 2.038 12.142 1.00 31.10 H new ATOM 0 HG22 VAL B 106 -2.739 2.451 11.652 1.00 31.10 H new ATOM 0 HG23 VAL B 106 -1.696 1.510 10.559 1.00 31.10 H new ATOM 3477 N THR B 107 -0.563 5.270 7.998 1.00 11.15 N ATOM 3478 CA THR B 107 0.029 6.444 7.330 1.00 34.41 C ATOM 3479 C THR B 107 -0.924 7.020 6.250 1.00 21.10 C ATOM 3480 O THR B 107 -1.047 8.244 6.108 1.00 32.23 O ATOM 3481 CB THR B 107 1.413 6.080 6.696 1.00 33.34 C ATOM 3482 OG1 THR B 107 2.232 5.398 7.668 1.00 51.43 O ATOM 3483 CG2 THR B 107 2.168 7.327 6.197 1.00 33.11 C ATOM 0 H THR B 107 -0.091 4.393 7.780 1.00 11.15 H new ATOM 0 HA THR B 107 0.183 7.212 8.088 1.00 34.41 H new ATOM 0 HB THR B 107 1.216 5.435 5.840 1.00 33.34 H new ATOM 0 HG1 THR B 107 1.895 4.487 7.798 1.00 51.43 H new ATOM 0 HG21 THR B 107 3.122 7.026 5.765 1.00 33.11 H new ATOM 0 HG22 THR B 107 1.571 7.835 5.440 1.00 33.11 H new ATOM 0 HG23 THR B 107 2.345 8.004 7.033 1.00 33.11 H new ATOM 3491 N CYS B 108 -1.628 6.119 5.524 1.00 11.34 N ATOM 3492 CA CYS B 108 -2.617 6.505 4.496 1.00 5.13 C ATOM 3493 C CYS B 108 -3.840 7.185 5.143 1.00 72.45 C ATOM 3494 O CYS B 108 -4.452 8.072 4.545 1.00 70.43 O ATOM 3495 CB CYS B 108 -3.050 5.275 3.665 1.00 32.43 C ATOM 3496 SG CYS B 108 -1.720 4.556 2.672 1.00 51.33 S ATOM 0 H CYS B 108 -1.525 5.110 5.635 1.00 11.34 H new ATOM 0 HA CYS B 108 -2.146 7.222 3.823 1.00 5.13 H new ATOM 0 HB2 CYS B 108 -3.440 4.512 4.339 1.00 32.43 H new ATOM 0 HB3 CYS B 108 -3.867 5.564 3.005 1.00 32.43 H new ATOM 0 HG CYS B 108 -0.982 3.793 3.423 1.00 51.33 H new ATOM 3502 N LYS B 109 -4.174 6.766 6.377 1.00 41.41 N ATOM 3503 CA LYS B 109 -5.258 7.380 7.171 1.00 53.25 C ATOM 3504 C LYS B 109 -4.810 8.744 7.729 1.00 50.41 C ATOM 3505 O LYS B 109 -5.605 9.672 7.764 1.00 53.53 O ATOM 3506 CB LYS B 109 -5.745 6.417 8.309 1.00 45.32 C ATOM 3507 CG LYS B 109 -6.919 5.474 7.913 1.00 75.42 C ATOM 3508 CD LYS B 109 -6.667 4.690 6.604 1.00 62.12 C ATOM 3509 CE LYS B 109 -7.811 3.736 6.243 1.00 22.22 C ATOM 3510 NZ LYS B 109 -7.997 2.679 7.266 1.00 54.43 N ATOM 0 H LYS B 109 -3.703 5.996 6.852 1.00 41.41 H new ATOM 0 HA LYS B 109 -6.110 7.552 6.514 1.00 53.25 H new ATOM 0 HB2 LYS B 109 -4.902 5.807 8.634 1.00 45.32 H new ATOM 0 HB3 LYS B 109 -6.053 7.017 9.165 1.00 45.32 H new ATOM 0 HG2 LYS B 109 -7.095 4.766 8.723 1.00 75.42 H new ATOM 0 HG3 LYS B 109 -7.828 6.065 7.804 1.00 75.42 H new ATOM 0 HD2 LYS B 109 -6.520 5.397 5.787 1.00 62.12 H new ATOM 0 HD3 LYS B 109 -5.743 4.119 6.702 1.00 62.12 H new ATOM 0 HE2 LYS B 109 -8.736 4.303 6.136 1.00 22.22 H new ATOM 0 HE3 LYS B 109 -7.606 3.274 5.277 1.00 22.22 H new ATOM 0 HZ1 LYS B 109 -8.284 1.794 6.802 1.00 54.43 H new ATOM 0 HZ2 LYS B 109 -7.103 2.529 7.776 1.00 54.43 H new ATOM 0 HZ3 LYS B 109 -8.734 2.972 7.938 1.00 54.43 H new ATOM 3524 N THR B 110 -3.523 8.862 8.118 1.00 41.42 N ATOM 3525 CA THR B 110 -2.961 10.110 8.674 1.00 24.30 C ATOM 3526 C THR B 110 -2.974 11.240 7.615 1.00 42.13 C ATOM 3527 O THR B 110 -3.416 12.365 7.897 1.00 72.34 O ATOM 3528 CB THR B 110 -1.506 9.884 9.204 1.00 63.43 C ATOM 3529 OG1 THR B 110 -1.510 8.854 10.209 1.00 73.04 O ATOM 3530 CG2 THR B 110 -0.888 11.168 9.800 1.00 15.24 C ATOM 0 H THR B 110 -2.848 8.100 8.056 1.00 41.42 H new ATOM 0 HA THR B 110 -3.589 10.412 9.512 1.00 24.30 H new ATOM 0 HB THR B 110 -0.897 9.586 8.351 1.00 63.43 H new ATOM 0 HG1 THR B 110 -1.749 7.997 9.798 1.00 73.04 H new ATOM 0 HG21 THR B 110 0.121 10.956 10.153 1.00 15.24 H new ATOM 0 HG22 THR B 110 -0.850 11.943 9.034 1.00 15.24 H new ATOM 0 HG23 THR B 110 -1.499 11.513 10.634 1.00 15.24 H new ATOM 3538 N VAL B 111 -2.515 10.912 6.390 1.00 41.30 N ATOM 3539 CA VAL B 111 -2.493 11.865 5.263 1.00 5.41 C ATOM 3540 C VAL B 111 -3.928 12.221 4.814 1.00 30.22 C ATOM 3541 O VAL B 111 -4.200 13.361 4.406 1.00 61.11 O ATOM 3542 CB VAL B 111 -1.627 11.343 4.051 1.00 63.15 C ATOM 3543 CG1 VAL B 111 -0.165 11.093 4.487 1.00 42.41 C ATOM 3544 CG2 VAL B 111 -2.231 10.081 3.397 1.00 31.34 C ATOM 0 H VAL B 111 -2.152 9.988 6.156 1.00 41.30 H new ATOM 0 HA VAL B 111 -2.012 12.774 5.623 1.00 5.41 H new ATOM 0 HB VAL B 111 -1.634 12.127 3.294 1.00 63.15 H new ATOM 0 HG11 VAL B 111 0.412 10.734 3.635 1.00 42.41 H new ATOM 0 HG12 VAL B 111 0.269 12.023 4.854 1.00 42.41 H new ATOM 0 HG13 VAL B 111 -0.145 10.346 5.280 1.00 42.41 H new ATOM 0 HG21 VAL B 111 -1.598 9.762 2.569 1.00 31.34 H new ATOM 0 HG22 VAL B 111 -2.292 9.282 4.136 1.00 31.34 H new ATOM 0 HG23 VAL B 111 -3.230 10.307 3.024 1.00 31.34 H new ATOM 3554 N ALA B 112 -4.846 11.236 4.936 1.00 43.44 N ATOM 3555 CA ALA B 112 -6.275 11.422 4.645 1.00 51.11 C ATOM 3556 C ALA B 112 -6.945 12.297 5.722 1.00 2.21 C ATOM 3557 O ALA B 112 -7.864 13.042 5.420 1.00 61.12 O ATOM 3558 CB ALA B 112 -6.984 10.067 4.537 1.00 33.22 C ATOM 0 H ALA B 112 -4.611 10.291 5.240 1.00 43.44 H new ATOM 0 HA ALA B 112 -6.362 11.935 3.687 1.00 51.11 H new ATOM 0 HB1 ALA B 112 -8.041 10.225 4.321 1.00 33.22 H new ATOM 0 HB2 ALA B 112 -6.533 9.483 3.734 1.00 33.22 H new ATOM 0 HB3 ALA B 112 -6.883 9.527 5.479 1.00 33.22 H new ATOM 3564 N ASN B 113 -6.451 12.210 6.978 1.00 50.21 N ATOM 3565 CA ASN B 113 -7.005 12.978 8.123 1.00 42.31 C ATOM 3566 C ASN B 113 -6.752 14.482 7.974 1.00 33.41 C ATOM 3567 O ASN B 113 -7.590 15.295 8.380 1.00 11.14 O ATOM 3568 CB ASN B 113 -6.444 12.460 9.495 1.00 43.31 C ATOM 3569 CG ASN B 113 -7.204 11.257 10.093 1.00 45.31 C ATOM 3570 OD1 ASN B 113 -7.770 10.390 9.259 1.00 51.50 O flip ATOM 3571 ND2 ASN B 113 -7.279 11.108 11.314 1.00 75.33 N flip ATOM 0 H ASN B 113 -5.664 11.612 7.228 1.00 50.21 H new ATOM 0 HA ASN B 113 -8.083 12.816 8.116 1.00 42.31 H new ATOM 0 HB2 ASN B 113 -5.399 12.182 9.362 1.00 43.31 H new ATOM 0 HB3 ASN B 113 -6.467 13.279 10.213 1.00 43.31 H new ATOM 0 HD21 ASN B 113 -6.838 11.784 11.938 1.00 75.33 H new ATOM 0 HD22 ASN B 113 -7.782 10.309 11.700 1.00 75.33 H new ATOM 3578 N MET B 114 -5.604 14.830 7.371 1.00 1.25 N ATOM 3579 CA MET B 114 -5.191 16.232 7.164 1.00 5.52 C ATOM 3580 C MET B 114 -6.138 16.965 6.198 1.00 25.15 C ATOM 3581 O MET B 114 -6.363 18.173 6.334 1.00 33.10 O ATOM 3582 CB MET B 114 -3.748 16.294 6.604 1.00 13.03 C ATOM 3583 CG MET B 114 -2.686 15.602 7.465 1.00 24.52 C ATOM 3584 SD MET B 114 -1.011 15.851 6.838 1.00 4.31 S ATOM 3585 CE MET B 114 -1.196 15.396 5.109 1.00 34.11 C ATOM 0 H MET B 114 -4.934 14.149 7.012 1.00 1.25 H new ATOM 0 HA MET B 114 -5.232 16.727 8.134 1.00 5.52 H new ATOM 0 HB2 MET B 114 -3.740 15.842 5.612 1.00 13.03 H new ATOM 0 HB3 MET B 114 -3.468 17.340 6.480 1.00 13.03 H new ATOM 0 HG2 MET B 114 -2.748 15.981 8.485 1.00 24.52 H new ATOM 0 HG3 MET B 114 -2.898 14.534 7.508 1.00 24.52 H new ATOM 0 HE1 MET B 114 -0.273 14.940 4.752 1.00 34.11 H new ATOM 0 HE2 MET B 114 -2.015 14.685 5.006 1.00 34.11 H new ATOM 0 HE3 MET B 114 -1.412 16.287 4.519 1.00 34.11 H new ATOM 3595 N ILE B 115 -6.673 16.223 5.211 1.00 24.51 N ATOM 3596 CA ILE B 115 -7.543 16.801 4.163 1.00 15.43 C ATOM 3597 C ILE B 115 -9.040 16.656 4.535 1.00 11.42 C ATOM 3598 O ILE B 115 -9.838 17.567 4.264 1.00 1.52 O ATOM 3599 CB ILE B 115 -7.244 16.140 2.757 1.00 34.35 C ATOM 3600 CG1 ILE B 115 -7.707 14.645 2.701 1.00 64.34 C ATOM 3601 CG2 ILE B 115 -5.732 16.256 2.423 1.00 44.54 C ATOM 3602 CD1 ILE B 115 -7.538 13.955 1.365 1.00 55.31 C ATOM 0 H ILE B 115 -6.519 15.219 5.115 1.00 24.51 H new ATOM 0 HA ILE B 115 -7.320 17.866 4.093 1.00 15.43 H new ATOM 0 HB ILE B 115 -7.819 16.683 2.007 1.00 34.35 H new ATOM 0 HG12 ILE B 115 -7.151 14.083 3.452 1.00 64.34 H new ATOM 0 HG13 ILE B 115 -8.759 14.599 2.982 1.00 64.34 H new ATOM 0 HG21 ILE B 115 -5.537 15.798 1.453 1.00 44.54 H new ATOM 0 HG22 ILE B 115 -5.446 17.307 2.392 1.00 44.54 H new ATOM 0 HG23 ILE B 115 -5.150 15.744 3.189 1.00 44.54 H new ATOM 0 HD11 ILE B 115 -7.890 12.926 1.440 1.00 55.31 H new ATOM 0 HD12 ILE B 115 -8.117 14.482 0.607 1.00 55.31 H new ATOM 0 HD13 ILE B 115 -6.485 13.959 1.084 1.00 55.31 H new ATOM 3614 N ARG B 116 -9.376 15.525 5.201 1.00 3.52 N ATOM 3615 CA ARG B 116 -10.723 15.171 5.672 1.00 73.44 C ATOM 3616 C ARG B 116 -10.695 13.726 6.218 1.00 53.50 C ATOM 3617 O ARG B 116 -10.847 12.758 5.462 1.00 4.42 O ATOM 3618 CB ARG B 116 -11.808 15.290 4.557 1.00 74.32 C ATOM 3619 CG ARG B 116 -13.233 14.881 4.991 1.00 71.05 C ATOM 3620 CD ARG B 116 -13.795 15.736 6.146 1.00 63.23 C ATOM 3621 NE ARG B 116 -15.073 15.210 6.651 1.00 0.32 N ATOM 3622 CZ ARG B 116 -15.911 15.858 7.477 1.00 45.11 C ATOM 3623 NH1 ARG B 116 -15.644 17.095 7.906 1.00 35.04 N ATOM 3624 NH2 ARG B 116 -17.025 15.253 7.869 1.00 32.53 N ATOM 0 H ARG B 116 -8.684 14.811 5.430 1.00 3.52 H new ATOM 0 HA ARG B 116 -10.997 15.880 6.453 1.00 73.44 H new ATOM 0 HB2 ARG B 116 -11.833 16.321 4.203 1.00 74.32 H new ATOM 0 HB3 ARG B 116 -11.509 14.670 3.712 1.00 74.32 H new ATOM 0 HG2 ARG B 116 -13.902 14.959 4.134 1.00 71.05 H new ATOM 0 HG3 ARG B 116 -13.225 13.834 5.295 1.00 71.05 H new ATOM 0 HD2 ARG B 116 -13.070 15.768 6.959 1.00 63.23 H new ATOM 0 HD3 ARG B 116 -13.935 16.761 5.803 1.00 63.23 H new ATOM 0 HE ARG B 116 -15.346 14.275 6.348 1.00 0.32 H new ATOM 0 HH11 ARG B 116 -14.790 17.565 7.606 1.00 35.04 H new ATOM 0 HH12 ARG B 116 -16.294 17.569 8.533 1.00 35.04 H new ATOM 0 HH21 ARG B 116 -17.235 14.309 7.543 1.00 32.53 H new ATOM 0 HH22 ARG B 116 -17.672 15.732 8.496 1.00 32.53 H new ATOM 3638 N GLY B 117 -10.360 13.587 7.499 1.00 31.02 N ATOM 3639 CA GLY B 117 -10.572 12.333 8.243 1.00 20.42 C ATOM 3640 C GLY B 117 -11.956 12.269 8.903 1.00 13.43 C ATOM 3641 O GLY B 117 -12.542 13.338 9.188 1.00 24.43 O ATOM 3642 OXT GLY B 117 -12.457 11.152 9.161 1.00 37.59 O ATOM 0 H GLY B 117 -9.936 14.331 8.053 1.00 31.02 H new ATOM 0 HA2 GLY B 117 -10.457 11.488 7.565 1.00 20.42 H new ATOM 0 HA3 GLY B 117 -9.803 12.234 9.009 1.00 20.42 H new TER 3646 GLY B 117