USER MOD reduce.3.24.130724 H: found=0, std=0, add=1404, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1400 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 22 GLN : amide:sc= -0.334 X(o=-0.33,f=-0.022) USER MOD Set 1.2: B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 22 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.027) USER MOD Set 2.2: A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 138:sc= -0.303 (180deg=-3.47!) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.0558 (180deg=-0.163) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.000304) USER MOD Single : A 9 SER OG : rot 180:sc= 0.096 USER MOD Single : A 10 GLN : amide:sc= -8.92! C(o=-8.9!,f=-9.2!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0566 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0068 USER MOD Single : A 17 SER OG : rot 180:sc= -0.0242 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= -1.38! USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -4.2! C(o=-4.2!,f=-4.5!) USER MOD Single : A 31 GLN : amide:sc= -11.5! C(o=-12!,f=-17!) USER MOD Single : A 33 CYS SG : rot 29:sc= -4.74! USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -6.84! C(o=-6.8!,f=-5.2!) USER MOD Single : A 41 HIS : no HD1:sc= -3.87! C(o=-3.9!,f=-5.2!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -120:sc= -0.101 USER MOD Single : A 53 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.31) USER MOD Single : A 56 TYR OH : rot 63:sc= -0.334 USER MOD Single : A 61 TYR OH : rot 29:sc= 0.12 USER MOD Single : A 62 THR OG1 : rot 37:sc= 0.277! USER MOD Single : A 64 HIS : no HD1:sc= -0.629 K(o=-0.63,f=-3.9!) USER MOD Single : A 66 SER OG : rot -20:sc= 0.209! USER MOD Single : A 67 SER OG : rot -136:sc= -0.371 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot -43:sc= 0.222! USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 145:sc= -0.354 (180deg=-3.5!) USER MOD Single : B 1 MET N :NH3+ 169:sc= -0.0777 (180deg=-0.171) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.00565) USER MOD Single : B 9 SER OG : rot 61:sc= 0.119 USER MOD Single : B 10 GLN : amide:sc= -8.77! C(o=-8.8!,f=-9.1!) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= -0.0565 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0.00693 USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= -1.37! USER MOD Single : B 27 SER OG : rot 180:sc= 0 USER MOD Single : B 29 ASN : amide:sc= -4.04! C(o=-4!,f=-4.5!) USER MOD Single : B 31 GLN : amide:sc= -11.6! C(o=-12!,f=-17!) USER MOD Single : B 33 CYS SG : rot 26:sc= -4.79! USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 ASN : amide:sc= -6.81! C(o=-6.8!,f=-5.1!) USER MOD Single : B 41 HIS : no HD1:sc= -3.86! C(o=-3.9!,f=-5.3!) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 THR OG1 : rot -120:sc= -0.0934 USER MOD Single : B 53 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.31) USER MOD Single : B 56 TYR OH : rot 30:sc= -0.232 USER MOD Single : B 61 TYR OH : rot 26:sc= 0.127 USER MOD Single : B 62 THR OG1 : rot 50:sc= 0.149! USER MOD Single : B 64 HIS : no HD1:sc= -0.694 K(o=-0.69,f=-4.1!) USER MOD Single : B 66 SER OG : rot -24:sc= 0.0311! USER MOD Single : B 67 SER OG : rot -139:sc= -0.414 USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 75 SER OG : rot -40:sc= 0.247! USER MOD Single : B 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.078 16.892 2.895 1.00 42.32 N ATOM 2 CA MET A 1 -0.613 16.620 2.898 1.00 40.89 C ATOM 3 C MET A 1 -0.290 15.586 3.976 1.00 34.75 C ATOM 4 O MET A 1 0.834 15.476 4.424 1.00 33.97 O ATOM 5 CB MET A 1 0.149 17.923 3.194 1.00 48.45 C ATOM 6 CG MET A 1 0.115 18.226 4.699 1.00 56.13 C ATOM 7 SD MET A 1 -0.448 19.926 4.958 1.00 64.91 S ATOM 8 CE MET A 1 -2.089 19.525 5.608 1.00 63.43 C ATOM 0 H1 MET A 1 -2.278 17.711 2.286 1.00 42.32 H new ATOM 0 H2 MET A 1 -2.585 16.059 2.533 1.00 42.32 H new ATOM 0 H3 MET A 1 -2.395 17.096 3.864 1.00 42.32 H new ATOM 0 HA MET A 1 -0.312 16.236 1.923 1.00 40.89 H new ATOM 0 HB2 MET A 1 1.182 17.834 2.857 1.00 48.45 H new ATOM 0 HB3 MET A 1 -0.297 18.748 2.639 1.00 48.45 H new ATOM 0 HG2 MET A 1 -0.552 17.529 5.206 1.00 56.13 H new ATOM 0 HG3 MET A 1 1.106 18.090 5.131 1.00 56.13 H new ATOM 0 HE1 MET A 1 -2.315 20.176 6.452 1.00 63.43 H new ATOM 0 HE2 MET A 1 -2.835 19.671 4.827 1.00 63.43 H new ATOM 0 HE3 MET A 1 -2.106 18.486 5.937 1.00 63.43 H new ATOM 20 N ILE A 2 -1.264 14.838 4.413 1.00 28.59 N ATOM 21 CA ILE A 2 -0.991 13.838 5.476 1.00 24.58 C ATOM 22 C ILE A 2 -0.252 14.547 6.607 1.00 19.29 C ATOM 23 O ILE A 2 0.955 14.469 6.726 1.00 19.53 O ATOM 24 CB ILE A 2 -0.127 12.710 4.916 1.00 25.10 C ATOM 25 CG1 ILE A 2 -0.610 12.336 3.517 1.00 28.92 C ATOM 26 CG2 ILE A 2 -0.234 11.486 5.821 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.590 12.272 2.582 1.00 33.80 C ATOM 0 H ILE A 2 -2.228 14.876 4.082 1.00 28.59 H new ATOM 0 HA ILE A 2 -1.923 13.408 5.843 1.00 24.58 H new ATOM 0 HB ILE A 2 0.909 13.046 4.869 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -1.122 11.374 3.540 1.00 28.92 H new ATOM 0 HG13 ILE A 2 -1.329 13.072 3.157 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.383 10.682 5.420 1.00 23.06 H new ATOM 0 HG22 ILE A 2 0.111 11.743 6.823 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -1.272 11.158 5.868 1.00 23.06 H new ATOM 0 HD11 ILE A 2 0.256 12.005 1.579 1.00 33.80 H new ATOM 0 HD12 ILE A 2 1.082 13.244 2.554 1.00 33.80 H new ATOM 0 HD13 ILE A 2 1.292 11.520 2.942 1.00 33.80 H new ATOM 39 N LYS A 3 -0.972 15.267 7.417 1.00 18.14 N ATOM 40 CA LYS A 3 -0.326 16.021 8.527 1.00 16.66 C ATOM 41 C LYS A 3 0.164 15.066 9.609 1.00 14.94 C ATOM 42 O LYS A 3 -0.326 13.964 9.758 1.00 13.94 O ATOM 43 CB LYS A 3 -1.332 17.003 9.130 1.00 16.94 C ATOM 44 CG LYS A 3 -1.022 18.418 8.637 1.00 17.85 C ATOM 45 CD LYS A 3 -0.278 19.189 9.729 1.00 19.63 C ATOM 46 CE LYS A 3 0.114 20.569 9.201 1.00 26.28 C ATOM 47 NZ LYS A 3 -0.901 21.572 9.630 1.00 32.72 N ATOM 0 H LYS A 3 -1.985 15.367 7.359 1.00 18.14 H new ATOM 0 HA LYS A 3 0.529 16.566 8.128 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -2.346 16.722 8.846 1.00 16.94 H new ATOM 0 HB3 LYS A 3 -1.284 16.967 10.218 1.00 16.94 H new ATOM 0 HG2 LYS A 3 -0.417 18.374 7.732 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -1.946 18.935 8.378 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -0.910 19.291 10.611 1.00 19.63 H new ATOM 0 HD3 LYS A 3 0.612 18.639 10.036 1.00 19.63 H new ATOM 0 HE2 LYS A 3 1.098 20.848 9.577 1.00 26.28 H new ATOM 0 HE3 LYS A 3 0.183 20.548 8.113 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -0.635 22.511 9.271 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 -1.832 21.308 9.250 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 -0.945 21.598 10.669 1.00 32.72 H new ATOM 61 N VAL A 4 1.136 15.492 10.366 1.00 12.42 N ATOM 62 CA VAL A 4 1.678 14.629 11.446 1.00 12.99 C ATOM 63 C VAL A 4 2.525 15.484 12.401 1.00 14.26 C ATOM 64 O VAL A 4 2.877 16.607 12.105 1.00 13.80 O ATOM 65 CB VAL A 4 2.521 13.491 10.821 1.00 12.94 C ATOM 66 CG1 VAL A 4 3.052 13.917 9.452 1.00 14.46 C ATOM 67 CG2 VAL A 4 3.700 13.123 11.734 1.00 10.41 C ATOM 0 H VAL A 4 1.579 16.407 10.281 1.00 12.42 H new ATOM 0 HA VAL A 4 0.863 14.180 12.014 1.00 12.99 H new ATOM 0 HB VAL A 4 1.878 12.618 10.705 1.00 12.94 H new ATOM 0 HG11 VAL A 4 3.643 13.108 9.023 1.00 14.46 H new ATOM 0 HG12 VAL A 4 2.215 14.144 8.792 1.00 14.46 H new ATOM 0 HG13 VAL A 4 3.677 14.803 9.564 1.00 14.46 H new ATOM 0 HG21 VAL A 4 4.279 12.321 11.275 1.00 10.41 H new ATOM 0 HG22 VAL A 4 4.337 13.996 11.875 1.00 10.41 H new ATOM 0 HG23 VAL A 4 3.322 12.790 12.701 1.00 10.41 H new ATOM 77 N GLU A 5 2.840 14.950 13.549 1.00 9.27 N ATOM 78 CA GLU A 5 3.652 15.705 14.547 1.00 10.51 C ATOM 79 C GLU A 5 4.674 14.767 15.176 1.00 10.00 C ATOM 80 O GLU A 5 4.333 13.808 15.837 1.00 10.96 O ATOM 81 CB GLU A 5 2.735 16.254 15.639 1.00 10.42 C ATOM 82 CG GLU A 5 2.182 17.608 15.201 1.00 18.68 C ATOM 83 CD GLU A 5 1.421 18.250 16.363 1.00 18.63 C ATOM 84 OE1 GLU A 5 0.438 17.670 16.793 1.00 19.38 O ATOM 85 OE2 GLU A 5 1.835 19.310 16.802 1.00 22.12 O ATOM 0 H GLU A 5 2.567 14.012 13.842 1.00 9.27 H new ATOM 0 HA GLU A 5 4.164 16.530 14.051 1.00 10.51 H new ATOM 0 HB2 GLU A 5 1.917 15.558 15.827 1.00 10.42 H new ATOM 0 HB3 GLU A 5 3.286 16.359 16.574 1.00 10.42 H new ATOM 0 HG2 GLU A 5 2.996 18.259 14.882 1.00 18.68 H new ATOM 0 HG3 GLU A 5 1.520 17.482 14.344 1.00 18.68 H new ATOM 92 N ILE A 6 5.927 15.038 14.980 1.00 9.86 N ATOM 93 CA ILE A 6 6.969 14.163 15.576 1.00 10.60 C ATOM 94 C ILE A 6 7.098 14.496 17.068 1.00 10.16 C ATOM 95 O ILE A 6 7.758 15.442 17.447 1.00 11.64 O ATOM 96 CB ILE A 6 8.293 14.408 14.849 1.00 9.14 C ATOM 97 CG1 ILE A 6 8.106 14.090 13.365 1.00 14.23 C ATOM 98 CG2 ILE A 6 9.382 13.508 15.436 1.00 12.29 C ATOM 99 CD1 ILE A 6 8.017 12.578 13.170 1.00 13.81 C ATOM 0 H ILE A 6 6.277 15.825 14.434 1.00 9.86 H new ATOM 0 HA ILE A 6 6.699 13.112 15.471 1.00 10.60 H new ATOM 0 HB ILE A 6 8.593 15.449 14.971 1.00 9.14 H new ATOM 0 HG12 ILE A 6 7.200 14.568 12.992 1.00 14.23 H new ATOM 0 HG13 ILE A 6 8.939 14.492 12.789 1.00 14.23 H new ATOM 0 HG21 ILE A 6 10.322 13.687 14.914 1.00 12.29 H new ATOM 0 HG22 ILE A 6 9.507 13.731 16.496 1.00 12.29 H new ATOM 0 HG23 ILE A 6 9.094 12.463 15.317 1.00 12.29 H new ATOM 0 HD11 ILE A 6 7.884 12.355 12.111 1.00 13.81 H new ATOM 0 HD12 ILE A 6 8.935 12.110 13.527 1.00 13.81 H new ATOM 0 HD13 ILE A 6 7.169 12.188 13.733 1.00 13.81 H new ATOM 111 N LYS A 7 6.453 13.734 17.921 1.00 11.63 N ATOM 112 CA LYS A 7 6.521 14.019 19.381 1.00 11.59 C ATOM 113 C LYS A 7 7.972 14.262 19.803 1.00 12.98 C ATOM 114 O LYS A 7 8.892 13.889 19.102 1.00 9.79 O ATOM 115 CB LYS A 7 5.948 12.825 20.147 1.00 12.52 C ATOM 116 CG LYS A 7 4.474 13.079 20.478 1.00 14.26 C ATOM 117 CD LYS A 7 3.726 13.562 19.231 1.00 15.70 C ATOM 118 CE LYS A 7 2.467 14.319 19.657 1.00 19.19 C ATOM 119 NZ LYS A 7 2.742 15.784 19.648 1.00 25.43 N ATOM 0 H LYS A 7 5.884 12.928 17.664 1.00 11.63 H new ATOM 0 HA LYS A 7 5.940 14.914 19.606 1.00 11.59 H new ATOM 0 HB2 LYS A 7 6.045 11.918 19.550 1.00 12.52 H new ATOM 0 HB3 LYS A 7 6.514 12.665 21.065 1.00 12.52 H new ATOM 0 HG2 LYS A 7 4.016 12.164 20.854 1.00 14.26 H new ATOM 0 HG3 LYS A 7 4.395 13.824 21.270 1.00 14.26 H new ATOM 0 HD2 LYS A 7 4.369 14.210 18.635 1.00 15.70 H new ATOM 0 HD3 LYS A 7 3.458 12.713 18.602 1.00 15.70 H new ATOM 0 HE2 LYS A 7 1.644 14.088 18.980 1.00 19.19 H new ATOM 0 HE3 LYS A 7 2.159 14.002 20.653 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 1.992 16.281 20.170 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 3.660 15.968 20.101 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 2.766 16.127 18.666 1.00 25.43 H new ATOM 133 N PRO A 8 8.129 14.888 20.944 1.00 13.56 N ATOM 134 CA PRO A 8 9.455 15.206 21.499 1.00 11.93 C ATOM 135 C PRO A 8 10.084 13.957 22.111 1.00 10.20 C ATOM 136 O PRO A 8 11.288 13.798 22.132 1.00 12.05 O ATOM 137 CB PRO A 8 9.155 16.256 22.573 1.00 12.78 C ATOM 138 CG PRO A 8 7.668 16.069 22.960 1.00 12.51 C ATOM 139 CD PRO A 8 6.998 15.329 21.787 1.00 13.61 C ATOM 0 HA PRO A 8 10.161 15.566 20.751 1.00 11.93 H new ATOM 0 HB2 PRO A 8 9.802 16.122 23.440 1.00 12.78 H new ATOM 0 HB3 PRO A 8 9.335 17.262 22.194 1.00 12.78 H new ATOM 0 HG2 PRO A 8 7.577 15.496 23.883 1.00 12.51 H new ATOM 0 HG3 PRO A 8 7.189 17.032 23.135 1.00 12.51 H new ATOM 0 HD2 PRO A 8 6.407 14.482 22.136 1.00 13.61 H new ATOM 0 HD3 PRO A 8 6.322 15.984 21.237 1.00 13.61 H new ATOM 147 N SER A 9 9.273 13.066 22.598 1.00 10.65 N ATOM 148 CA SER A 9 9.814 11.817 23.199 1.00 10.83 C ATOM 149 C SER A 9 10.135 10.822 22.083 1.00 10.94 C ATOM 150 O SER A 9 10.607 9.729 22.327 1.00 13.16 O ATOM 151 CB SER A 9 8.774 11.211 24.144 1.00 13.01 C ATOM 152 OG SER A 9 7.495 11.752 23.843 1.00 15.52 O ATOM 0 H SER A 9 8.256 13.147 22.607 1.00 10.65 H new ATOM 0 HA SER A 9 10.721 12.042 23.761 1.00 10.83 H new ATOM 0 HB2 SER A 9 8.757 10.126 24.037 1.00 13.01 H new ATOM 0 HB3 SER A 9 9.038 11.426 25.180 1.00 13.01 H new ATOM 0 HG SER A 9 6.826 11.365 24.445 1.00 15.52 H new ATOM 158 N GLN A 10 9.883 11.194 20.857 1.00 10.02 N ATOM 159 CA GLN A 10 10.171 10.275 19.722 1.00 11.55 C ATOM 160 C GLN A 10 10.980 11.017 18.650 1.00 13.72 C ATOM 161 O GLN A 10 10.898 10.713 17.477 1.00 17.31 O ATOM 162 CB GLN A 10 8.852 9.773 19.132 1.00 6.60 C ATOM 163 CG GLN A 10 8.244 10.857 18.253 1.00 7.20 C ATOM 164 CD GLN A 10 6.806 10.482 17.893 1.00 10.36 C ATOM 165 OE1 GLN A 10 6.125 9.828 18.658 1.00 13.01 O ATOM 166 NE2 GLN A 10 6.311 10.871 16.751 1.00 4.80 N ATOM 0 H GLN A 10 9.489 12.097 20.593 1.00 10.02 H new ATOM 0 HA GLN A 10 10.753 9.424 20.076 1.00 11.55 H new ATOM 0 HB2 GLN A 10 9.023 8.869 18.547 1.00 6.60 H new ATOM 0 HB3 GLN A 10 8.161 9.508 19.932 1.00 6.60 H new ATOM 0 HG2 GLN A 10 8.261 11.814 18.775 1.00 7.20 H new ATOM 0 HG3 GLN A 10 8.836 10.978 17.346 1.00 7.20 H new ATOM 0 HE21 GLN A 10 6.882 11.420 16.108 1.00 4.80 H new ATOM 0 HE22 GLN A 10 5.353 10.626 16.501 1.00 4.80 H new ATOM 175 N ALA A 11 11.756 11.990 19.043 1.00 15.28 N ATOM 176 CA ALA A 11 12.561 12.753 18.045 1.00 18.95 C ATOM 177 C ALA A 11 13.878 12.025 17.764 1.00 20.75 C ATOM 178 O ALA A 11 14.805 12.592 17.220 1.00 24.78 O ATOM 179 CB ALA A 11 12.859 14.150 18.593 1.00 17.72 C ATOM 0 H ALA A 11 11.868 12.290 20.011 1.00 15.28 H new ATOM 0 HA ALA A 11 11.994 12.834 17.118 1.00 18.95 H new ATOM 0 HB1 ALA A 11 13.447 14.709 17.865 1.00 17.72 H new ATOM 0 HB2 ALA A 11 11.922 14.674 18.782 1.00 17.72 H new ATOM 0 HB3 ALA A 11 13.420 14.064 19.523 1.00 17.72 H new ATOM 185 N GLN A 12 13.972 10.776 18.126 1.00 22.50 N ATOM 186 CA GLN A 12 15.228 10.022 17.876 1.00 25.43 C ATOM 187 C GLN A 12 14.870 8.609 17.393 1.00 22.80 C ATOM 188 O GLN A 12 13.898 8.024 17.828 1.00 20.93 O ATOM 189 CB GLN A 12 16.040 9.969 19.183 1.00 30.18 C ATOM 190 CG GLN A 12 16.744 8.618 19.325 1.00 42.11 C ATOM 191 CD GLN A 12 18.004 8.781 20.176 1.00 46.61 C ATOM 192 OE1 GLN A 12 18.052 8.331 21.304 1.00 46.27 O ATOM 193 NE2 GLN A 12 19.035 9.409 19.681 1.00 47.90 N ATOM 0 H GLN A 12 13.231 10.246 18.585 1.00 22.50 H new ATOM 0 HA GLN A 12 15.829 10.510 17.109 1.00 25.43 H new ATOM 0 HB2 GLN A 12 16.777 10.772 19.192 1.00 30.18 H new ATOM 0 HB3 GLN A 12 15.380 10.132 20.035 1.00 30.18 H new ATOM 0 HG2 GLN A 12 16.073 7.894 19.787 1.00 42.11 H new ATOM 0 HG3 GLN A 12 17.006 8.228 18.341 1.00 42.11 H new ATOM 0 HE21 GLN A 12 18.996 9.787 18.734 1.00 47.90 H new ATOM 0 HE22 GLN A 12 19.880 9.522 20.241 1.00 47.90 H new ATOM 202 N PHE A 13 15.645 8.059 16.498 1.00 21.61 N ATOM 203 CA PHE A 13 15.349 6.696 15.994 1.00 20.51 C ATOM 204 C PHE A 13 15.993 5.658 16.907 1.00 18.83 C ATOM 205 O PHE A 13 16.679 5.984 17.855 1.00 18.83 O ATOM 206 CB PHE A 13 15.948 6.556 14.604 1.00 19.56 C ATOM 207 CG PHE A 13 17.393 6.995 14.669 1.00 19.62 C ATOM 208 CD1 PHE A 13 18.345 6.169 15.276 1.00 20.50 C ATOM 209 CD2 PHE A 13 17.780 8.233 14.137 1.00 15.55 C ATOM 210 CE1 PHE A 13 19.681 6.575 15.347 1.00 20.75 C ATOM 211 CE2 PHE A 13 19.116 8.639 14.210 1.00 14.07 C ATOM 212 CZ PHE A 13 20.065 7.811 14.814 1.00 18.48 C ATOM 0 H PHE A 13 16.472 8.500 16.095 1.00 21.61 H new ATOM 0 HA PHE A 13 14.270 6.541 15.968 1.00 20.51 H new ATOM 0 HB2 PHE A 13 15.879 5.523 14.262 1.00 19.56 H new ATOM 0 HB3 PHE A 13 15.397 7.166 13.889 1.00 19.56 H new ATOM 0 HD1 PHE A 13 18.048 5.217 15.690 1.00 20.50 H new ATOM 0 HD2 PHE A 13 17.046 8.873 13.671 1.00 15.55 H new ATOM 0 HE1 PHE A 13 20.416 5.935 15.813 1.00 20.75 H new ATOM 0 HE2 PHE A 13 19.414 9.592 13.800 1.00 14.07 H new ATOM 0 HZ PHE A 13 21.097 8.125 14.870 1.00 18.48 H new ATOM 222 N THR A 14 15.793 4.408 16.609 1.00 14.89 N ATOM 223 CA THR A 14 16.408 3.337 17.433 1.00 13.37 C ATOM 224 C THR A 14 17.069 2.324 16.500 1.00 11.97 C ATOM 225 O THR A 14 16.795 2.288 15.318 1.00 10.76 O ATOM 226 CB THR A 14 15.336 2.640 18.271 1.00 13.68 C ATOM 227 OG1 THR A 14 15.939 1.617 19.051 1.00 13.48 O ATOM 228 CG2 THR A 14 14.284 2.026 17.347 1.00 9.24 C ATOM 0 H THR A 14 15.227 4.081 15.826 1.00 14.89 H new ATOM 0 HA THR A 14 17.150 3.769 18.104 1.00 13.37 H new ATOM 0 HB THR A 14 14.859 3.366 18.929 1.00 13.68 H new ATOM 0 HG1 THR A 14 15.254 1.170 19.590 1.00 13.48 H new ATOM 0 HG21 THR A 14 13.520 1.529 17.945 1.00 9.24 H new ATOM 0 HG22 THR A 14 13.823 2.811 16.748 1.00 9.24 H new ATOM 0 HG23 THR A 14 14.758 1.299 16.688 1.00 9.24 H new ATOM 236 N THR A 15 17.939 1.505 17.014 1.00 13.20 N ATOM 237 CA THR A 15 18.614 0.504 16.142 1.00 12.54 C ATOM 238 C THR A 15 17.893 -0.840 16.250 1.00 14.34 C ATOM 239 O THR A 15 17.232 -1.126 17.229 1.00 17.35 O ATOM 240 CB THR A 15 20.069 0.341 16.585 1.00 11.88 C ATOM 241 OG1 THR A 15 20.408 1.385 17.486 1.00 17.15 O ATOM 242 CG2 THR A 15 20.986 0.401 15.362 1.00 8.30 C ATOM 0 H THR A 15 18.213 1.484 17.996 1.00 13.20 H new ATOM 0 HA THR A 15 18.585 0.847 15.108 1.00 12.54 H new ATOM 0 HB THR A 15 20.192 -0.621 17.082 1.00 11.88 H new ATOM 0 HG1 THR A 15 21.340 1.281 17.772 1.00 17.15 H new ATOM 0 HG21 THR A 15 22.023 0.285 15.678 1.00 8.30 H new ATOM 0 HG22 THR A 15 20.725 -0.401 14.672 1.00 8.30 H new ATOM 0 HG23 THR A 15 20.865 1.362 14.863 1.00 8.30 H new ATOM 250 N ARG A 16 18.017 -1.670 15.251 1.00 15.28 N ATOM 251 CA ARG A 16 17.341 -2.996 15.294 1.00 15.21 C ATOM 252 C ARG A 16 17.683 -3.784 14.028 1.00 16.91 C ATOM 253 O ARG A 16 17.614 -3.271 12.929 1.00 17.29 O ATOM 254 CB ARG A 16 15.826 -2.795 15.378 1.00 15.77 C ATOM 255 CG ARG A 16 15.329 -3.227 16.758 1.00 21.61 C ATOM 256 CD ARG A 16 15.231 -4.753 16.810 1.00 24.15 C ATOM 257 NE ARG A 16 14.142 -5.150 17.747 1.00 30.82 N ATOM 258 CZ ARG A 16 13.679 -6.372 17.735 1.00 29.13 C ATOM 259 NH1 ARG A 16 14.166 -7.251 16.900 1.00 34.38 N ATOM 260 NH2 ARG A 16 12.727 -6.714 18.559 1.00 25.71 N ATOM 0 H ARG A 16 18.558 -1.486 14.406 1.00 15.28 H new ATOM 0 HA ARG A 16 17.682 -3.549 16.169 1.00 15.21 H new ATOM 0 HB2 ARG A 16 15.577 -1.749 15.201 1.00 15.77 H new ATOM 0 HB3 ARG A 16 15.328 -3.376 14.602 1.00 15.77 H new ATOM 0 HG2 ARG A 16 16.010 -2.869 17.530 1.00 21.61 H new ATOM 0 HG3 ARG A 16 14.355 -2.782 16.961 1.00 21.61 H new ATOM 0 HD2 ARG A 16 15.031 -5.149 15.814 1.00 24.15 H new ATOM 0 HD3 ARG A 16 16.180 -5.178 17.137 1.00 24.15 H new ATOM 0 HE ARG A 16 13.757 -4.466 18.399 1.00 30.82 H new ATOM 0 HH11 ARG A 16 14.910 -6.984 16.255 1.00 34.38 H new ATOM 0 HH12 ARG A 16 13.802 -8.204 16.893 1.00 34.38 H new ATOM 0 HH21 ARG A 16 12.346 -6.028 19.211 1.00 25.71 H new ATOM 0 HH22 ARG A 16 12.364 -7.667 18.551 1.00 25.71 H new ATOM 274 N SER A 17 18.054 -5.027 14.174 1.00 22.35 N ATOM 275 CA SER A 17 18.402 -5.847 12.979 1.00 28.62 C ATOM 276 C SER A 17 17.368 -5.606 11.878 1.00 31.32 C ATOM 277 O SER A 17 16.228 -5.280 12.143 1.00 33.90 O ATOM 278 CB SER A 17 18.405 -7.330 13.359 1.00 30.78 C ATOM 279 OG SER A 17 18.010 -8.104 12.234 1.00 38.77 O ATOM 0 H SER A 17 18.131 -5.510 15.069 1.00 22.35 H new ATOM 0 HA SER A 17 19.391 -5.563 12.619 1.00 28.62 H new ATOM 0 HB2 SER A 17 19.399 -7.630 13.691 1.00 30.78 H new ATOM 0 HB3 SER A 17 17.725 -7.505 14.192 1.00 30.78 H new ATOM 0 HG SER A 17 18.012 -9.054 12.474 1.00 38.77 H new ATOM 285 N GLY A 18 17.757 -5.764 10.643 1.00 32.28 N ATOM 286 CA GLY A 18 16.798 -5.543 9.525 1.00 32.82 C ATOM 287 C GLY A 18 17.358 -6.149 8.240 1.00 34.58 C ATOM 288 O GLY A 18 18.498 -5.931 7.890 1.00 34.04 O ATOM 0 H GLY A 18 18.698 -6.037 10.360 1.00 32.28 H new ATOM 0 HA2 GLY A 18 15.836 -5.996 9.763 1.00 32.82 H new ATOM 0 HA3 GLY A 18 16.623 -4.476 9.389 1.00 32.82 H new ATOM 292 N VAL A 19 16.566 -6.901 7.528 1.00 36.31 N ATOM 293 CA VAL A 19 17.060 -7.506 6.262 1.00 38.94 C ATOM 294 C VAL A 19 16.492 -6.717 5.085 1.00 39.44 C ATOM 295 O VAL A 19 15.298 -6.521 4.973 1.00 39.08 O ATOM 296 CB VAL A 19 16.606 -8.965 6.175 1.00 39.83 C ATOM 297 CG1 VAL A 19 17.583 -9.755 5.301 1.00 41.87 C ATOM 298 CG2 VAL A 19 16.570 -9.573 7.580 1.00 39.95 C ATOM 0 H VAL A 19 15.600 -7.122 7.768 1.00 36.31 H new ATOM 0 HA VAL A 19 18.149 -7.474 6.237 1.00 38.94 H new ATOM 0 HB VAL A 19 15.610 -9.009 5.734 1.00 39.83 H new ATOM 0 HG11 VAL A 19 17.258 -10.794 5.240 1.00 41.87 H new ATOM 0 HG12 VAL A 19 17.607 -9.323 4.301 1.00 41.87 H new ATOM 0 HG13 VAL A 19 18.580 -9.712 5.739 1.00 41.87 H new ATOM 0 HG21 VAL A 19 16.247 -10.612 7.519 1.00 39.95 H new ATOM 0 HG22 VAL A 19 17.566 -9.528 8.021 1.00 39.95 H new ATOM 0 HG23 VAL A 19 15.872 -9.012 8.201 1.00 39.95 H new ATOM 308 N SER A 20 17.340 -6.246 4.218 1.00 41.09 N ATOM 309 CA SER A 20 16.858 -5.450 3.058 1.00 44.70 C ATOM 310 C SER A 20 16.003 -6.330 2.146 1.00 47.21 C ATOM 311 O SER A 20 15.552 -7.389 2.534 1.00 47.07 O ATOM 312 CB SER A 20 18.056 -4.916 2.272 1.00 44.37 C ATOM 313 OG SER A 20 18.021 -3.494 2.269 1.00 46.57 O ATOM 0 H SER A 20 18.350 -6.378 4.263 1.00 41.09 H new ATOM 0 HA SER A 20 16.257 -4.616 3.420 1.00 44.70 H new ATOM 0 HB2 SER A 20 18.985 -5.267 2.720 1.00 44.37 H new ATOM 0 HB3 SER A 20 18.032 -5.294 1.250 1.00 44.37 H new ATOM 0 HG SER A 20 18.789 -3.149 1.767 1.00 46.57 H new ATOM 319 N ARG A 21 15.782 -5.902 0.934 1.00 50.78 N ATOM 320 CA ARG A 21 14.960 -6.719 -0.004 1.00 55.55 C ATOM 321 C ARG A 21 15.884 -7.506 -0.934 1.00 55.58 C ATOM 322 O ARG A 21 15.470 -7.998 -1.965 1.00 54.47 O ATOM 323 CB ARG A 21 14.052 -5.809 -0.833 1.00 59.49 C ATOM 324 CG ARG A 21 12.942 -6.644 -1.475 1.00 60.53 C ATOM 325 CD ARG A 21 13.203 -6.776 -2.977 1.00 64.36 C ATOM 326 NE ARG A 21 13.258 -8.219 -3.347 1.00 68.68 N ATOM 327 CZ ARG A 21 13.170 -8.579 -4.600 1.00 71.11 C ATOM 328 NH1 ARG A 21 13.034 -7.677 -5.535 1.00 70.71 N ATOM 329 NH2 ARG A 21 13.219 -9.844 -4.918 1.00 71.56 N ATOM 0 H ARG A 21 16.134 -5.024 0.553 1.00 50.78 H new ATOM 0 HA ARG A 21 14.342 -7.410 0.569 1.00 55.55 H new ATOM 0 HB2 ARG A 21 13.619 -5.035 -0.200 1.00 59.49 H new ATOM 0 HB3 ARG A 21 14.633 -5.302 -1.604 1.00 59.49 H new ATOM 0 HG2 ARG A 21 12.903 -7.631 -1.014 1.00 60.53 H new ATOM 0 HG3 ARG A 21 11.974 -6.174 -1.304 1.00 60.53 H new ATOM 0 HD2 ARG A 21 12.415 -6.275 -3.539 1.00 64.36 H new ATOM 0 HD3 ARG A 21 14.141 -6.287 -3.238 1.00 64.36 H new ATOM 0 HE ARG A 21 13.365 -8.927 -2.620 1.00 68.68 H new ATOM 0 HH11 ARG A 21 12.996 -6.688 -5.288 1.00 70.71 H new ATOM 0 HH12 ARG A 21 12.966 -7.962 -6.512 1.00 70.71 H new ATOM 0 HH21 ARG A 21 13.326 -10.549 -4.189 1.00 71.56 H new ATOM 0 HH22 ARG A 21 13.150 -10.127 -5.896 1.00 71.56 H new ATOM 343 N GLN A 22 17.134 -7.631 -0.577 1.00 57.32 N ATOM 344 CA GLN A 22 18.082 -8.388 -1.440 1.00 58.73 C ATOM 345 C GLN A 22 18.558 -9.640 -0.702 1.00 58.18 C ATOM 346 O GLN A 22 19.373 -10.393 -1.197 1.00 59.52 O ATOM 347 CB GLN A 22 19.285 -7.506 -1.778 1.00 62.32 C ATOM 348 CG GLN A 22 18.935 -6.592 -2.954 1.00 65.12 C ATOM 349 CD GLN A 22 20.136 -6.483 -3.895 1.00 66.38 C ATOM 350 OE1 GLN A 22 19.977 -6.428 -5.098 1.00 66.60 O ATOM 351 NE2 GLN A 22 21.341 -6.451 -3.394 1.00 65.96 N ATOM 0 H GLN A 22 17.538 -7.241 0.275 1.00 57.32 H new ATOM 0 HA GLN A 22 17.577 -8.680 -2.361 1.00 58.73 H new ATOM 0 HB2 GLN A 22 19.566 -6.909 -0.911 1.00 62.32 H new ATOM 0 HB3 GLN A 22 20.145 -8.127 -2.030 1.00 62.32 H new ATOM 0 HG2 GLN A 22 18.074 -6.988 -3.492 1.00 65.12 H new ATOM 0 HG3 GLN A 22 18.656 -5.604 -2.589 1.00 65.12 H new ATOM 0 HE21 GLN A 22 21.475 -6.497 -2.384 1.00 65.96 H new ATOM 0 HE22 GLN A 22 22.149 -6.380 -4.013 1.00 65.96 H new ATOM 360 N GLY A 23 18.055 -9.869 0.478 1.00 55.49 N ATOM 361 CA GLY A 23 18.475 -11.072 1.247 1.00 50.89 C ATOM 362 C GLY A 23 19.694 -10.733 2.105 1.00 48.17 C ATOM 363 O GLY A 23 20.304 -11.598 2.702 1.00 50.32 O ATOM 0 H GLY A 23 17.370 -9.274 0.944 1.00 55.49 H new ATOM 0 HA2 GLY A 23 17.657 -11.415 1.880 1.00 50.89 H new ATOM 0 HA3 GLY A 23 18.714 -11.887 0.564 1.00 50.89 H new ATOM 367 N LYS A 24 20.055 -9.481 2.175 1.00 44.99 N ATOM 368 CA LYS A 24 21.234 -9.094 2.998 1.00 42.22 C ATOM 369 C LYS A 24 20.752 -8.495 4.324 1.00 42.41 C ATOM 370 O LYS A 24 19.741 -7.823 4.365 1.00 42.26 O ATOM 371 CB LYS A 24 22.068 -8.058 2.240 1.00 40.33 C ATOM 372 CG LYS A 24 21.255 -6.775 2.061 1.00 40.86 C ATOM 373 CD LYS A 24 21.683 -6.075 0.770 1.00 37.00 C ATOM 374 CE LYS A 24 21.032 -4.692 0.696 1.00 36.58 C ATOM 375 NZ LYS A 24 21.176 -4.148 -0.684 1.00 34.22 N ATOM 0 H LYS A 24 19.585 -8.711 1.699 1.00 44.99 H new ATOM 0 HA LYS A 24 21.846 -9.974 3.197 1.00 42.22 H new ATOM 0 HB2 LYS A 24 22.986 -7.845 2.787 1.00 40.33 H new ATOM 0 HB3 LYS A 24 22.361 -8.453 1.267 1.00 40.33 H new ATOM 0 HG2 LYS A 24 20.191 -7.008 2.025 1.00 40.86 H new ATOM 0 HG3 LYS A 24 21.408 -6.113 2.914 1.00 40.86 H new ATOM 0 HD2 LYS A 24 22.768 -5.979 0.739 1.00 37.00 H new ATOM 0 HD3 LYS A 24 21.391 -6.672 -0.094 1.00 37.00 H new ATOM 0 HE2 LYS A 24 19.977 -4.760 0.963 1.00 36.58 H new ATOM 0 HE3 LYS A 24 21.500 -4.019 1.414 1.00 36.58 H new ATOM 0 HZ1 LYS A 24 20.734 -3.208 -0.735 1.00 34.22 H new ATOM 0 HZ2 LYS A 24 22.185 -4.069 -0.922 1.00 34.22 H new ATOM 0 HZ3 LYS A 24 20.710 -4.787 -1.359 1.00 34.22 H new ATOM 389 N PRO A 25 21.492 -8.759 5.372 1.00 42.36 N ATOM 390 CA PRO A 25 21.164 -8.262 6.719 1.00 40.32 C ATOM 391 C PRO A 25 21.569 -6.793 6.864 1.00 36.91 C ATOM 392 O PRO A 25 22.496 -6.330 6.230 1.00 36.63 O ATOM 393 CB PRO A 25 21.994 -9.149 7.644 1.00 42.73 C ATOM 394 CG PRO A 25 23.150 -9.703 6.789 1.00 43.71 C ATOM 395 CD PRO A 25 22.719 -9.576 5.317 1.00 44.10 C ATOM 0 HA PRO A 25 20.098 -8.305 6.940 1.00 40.32 H new ATOM 0 HB2 PRO A 25 22.375 -8.578 8.491 1.00 42.73 H new ATOM 0 HB3 PRO A 25 21.389 -9.959 8.052 1.00 42.73 H new ATOM 0 HG2 PRO A 25 24.068 -9.144 6.972 1.00 43.71 H new ATOM 0 HG3 PRO A 25 23.354 -10.743 7.043 1.00 43.71 H new ATOM 0 HD2 PRO A 25 23.491 -9.096 4.715 1.00 44.10 H new ATOM 0 HD3 PRO A 25 22.528 -10.552 4.871 1.00 44.10 H new ATOM 403 N TYR A 26 20.884 -6.057 7.696 1.00 32.09 N ATOM 404 CA TYR A 26 21.236 -4.621 7.880 1.00 27.86 C ATOM 405 C TYR A 26 20.703 -4.120 9.222 1.00 26.29 C ATOM 406 O TYR A 26 19.734 -4.629 9.750 1.00 28.07 O ATOM 407 CB TYR A 26 20.636 -3.782 6.735 1.00 23.99 C ATOM 408 CG TYR A 26 19.138 -3.587 6.922 1.00 24.09 C ATOM 409 CD1 TYR A 26 18.653 -2.799 7.972 1.00 24.63 C ATOM 410 CD2 TYR A 26 18.242 -4.188 6.029 1.00 24.19 C ATOM 411 CE1 TYR A 26 17.277 -2.616 8.133 1.00 24.84 C ATOM 412 CE2 TYR A 26 16.863 -4.003 6.190 1.00 24.77 C ATOM 413 CZ TYR A 26 16.381 -3.217 7.242 1.00 24.25 C ATOM 414 OH TYR A 26 15.022 -3.035 7.401 1.00 29.25 O ATOM 0 H TYR A 26 20.097 -6.387 8.255 1.00 32.09 H new ATOM 0 HA TYR A 26 22.321 -4.519 7.867 1.00 27.86 H new ATOM 0 HB2 TYR A 26 21.130 -2.811 6.695 1.00 23.99 H new ATOM 0 HB3 TYR A 26 20.825 -4.275 5.782 1.00 23.99 H new ATOM 0 HD1 TYR A 26 19.343 -2.332 8.659 1.00 24.63 H new ATOM 0 HD2 TYR A 26 18.614 -4.794 5.216 1.00 24.19 H new ATOM 0 HE1 TYR A 26 16.905 -2.010 8.946 1.00 24.84 H new ATOM 0 HE2 TYR A 26 16.172 -4.467 5.502 1.00 24.77 H new ATOM 0 HH TYR A 26 14.542 -3.520 6.697 1.00 29.25 H new ATOM 424 N SER A 27 21.316 -3.103 9.760 1.00 24.52 N ATOM 425 CA SER A 27 20.841 -2.531 11.050 1.00 22.20 C ATOM 426 C SER A 27 20.404 -1.090 10.790 1.00 20.52 C ATOM 427 O SER A 27 21.163 -0.159 10.969 1.00 23.07 O ATOM 428 CB SER A 27 21.978 -2.549 12.072 1.00 25.30 C ATOM 429 OG SER A 27 22.231 -3.890 12.471 1.00 29.25 O ATOM 0 H SER A 27 22.132 -2.640 9.358 1.00 24.52 H new ATOM 0 HA SER A 27 20.010 -3.116 11.444 1.00 22.20 H new ATOM 0 HB2 SER A 27 22.877 -2.110 11.640 1.00 25.30 H new ATOM 0 HB3 SER A 27 21.713 -1.944 12.939 1.00 25.30 H new ATOM 0 HG SER A 27 22.961 -3.905 13.125 1.00 29.25 H new ATOM 435 N LEU A 28 19.194 -0.900 10.340 1.00 18.57 N ATOM 436 CA LEU A 28 18.724 0.479 10.037 1.00 16.31 C ATOM 437 C LEU A 28 18.111 1.118 11.287 1.00 14.21 C ATOM 438 O LEU A 28 17.674 0.441 12.197 1.00 16.97 O ATOM 439 CB LEU A 28 17.697 0.421 8.892 1.00 16.48 C ATOM 440 CG LEU A 28 16.283 0.185 9.440 1.00 22.19 C ATOM 441 CD1 LEU A 28 15.697 1.510 9.934 1.00 24.00 C ATOM 442 CD2 LEU A 28 15.394 -0.379 8.326 1.00 22.01 C ATOM 0 H LEU A 28 18.512 -1.639 10.170 1.00 18.57 H new ATOM 0 HA LEU A 28 19.569 1.094 9.727 1.00 16.31 H new ATOM 0 HB2 LEU A 28 17.722 1.353 8.327 1.00 16.48 H new ATOM 0 HB3 LEU A 28 17.962 -0.378 8.200 1.00 16.48 H new ATOM 0 HG LEU A 28 16.328 -0.523 10.267 1.00 22.19 H new ATOM 0 HD11 LEU A 28 14.693 1.341 10.323 1.00 24.00 H new ATOM 0 HD12 LEU A 28 16.329 1.915 10.724 1.00 24.00 H new ATOM 0 HD13 LEU A 28 15.651 2.219 9.107 1.00 24.00 H new ATOM 0 HD21 LEU A 28 14.389 -0.548 8.713 1.00 22.01 H new ATOM 0 HD22 LEU A 28 15.351 0.331 7.500 1.00 22.01 H new ATOM 0 HD23 LEU A 28 15.809 -1.322 7.972 1.00 22.01 H new ATOM 454 N ASN A 29 18.077 2.422 11.328 1.00 11.64 N ATOM 455 CA ASN A 29 17.493 3.127 12.507 1.00 9.77 C ATOM 456 C ASN A 29 16.022 3.429 12.219 1.00 7.94 C ATOM 457 O ASN A 29 15.684 3.930 11.171 1.00 10.52 O ATOM 458 CB ASN A 29 18.238 4.446 12.768 1.00 14.73 C ATOM 459 CG ASN A 29 19.470 4.575 11.861 1.00 17.90 C ATOM 460 OD1 ASN A 29 20.149 3.604 11.593 1.00 23.31 O ATOM 461 ND2 ASN A 29 19.795 5.746 11.384 1.00 12.89 N ATOM 0 H ASN A 29 18.430 3.034 10.592 1.00 11.64 H new ATOM 0 HA ASN A 29 17.587 2.492 13.388 1.00 9.77 H new ATOM 0 HB2 ASN A 29 17.566 5.287 12.595 1.00 14.73 H new ATOM 0 HB3 ASN A 29 18.545 4.493 13.813 1.00 14.73 H new ATOM 0 HD21 ASN A 29 20.617 5.844 10.788 1.00 12.89 H new ATOM 0 HD22 ASN A 29 19.227 6.563 11.607 1.00 12.89 H new ATOM 468 N GLU A 30 15.140 3.126 13.131 1.00 8.58 N ATOM 469 CA GLU A 30 13.694 3.404 12.884 1.00 13.16 C ATOM 470 C GLU A 30 13.233 4.549 13.790 1.00 12.26 C ATOM 471 O GLU A 30 13.849 4.841 14.796 1.00 10.58 O ATOM 472 CB GLU A 30 12.873 2.150 13.191 1.00 14.93 C ATOM 473 CG GLU A 30 13.120 1.099 12.108 1.00 27.13 C ATOM 474 CD GLU A 30 13.997 -0.020 12.672 1.00 33.28 C ATOM 475 OE1 GLU A 30 15.160 0.240 12.933 1.00 40.03 O ATOM 476 OE2 GLU A 30 13.491 -1.118 12.834 1.00 38.01 O ATOM 0 H GLU A 30 15.355 2.700 14.033 1.00 8.58 H new ATOM 0 HA GLU A 30 13.552 3.685 11.841 1.00 13.16 H new ATOM 0 HB2 GLU A 30 13.149 1.752 14.168 1.00 14.93 H new ATOM 0 HB3 GLU A 30 11.813 2.399 13.236 1.00 14.93 H new ATOM 0 HG2 GLU A 30 12.171 0.691 11.759 1.00 27.13 H new ATOM 0 HG3 GLU A 30 13.606 1.557 11.246 1.00 27.13 H new ATOM 483 N GLN A 31 12.155 5.203 13.445 1.00 10.34 N ATOM 484 CA GLN A 31 11.667 6.328 14.295 1.00 9.46 C ATOM 485 C GLN A 31 10.151 6.229 14.476 1.00 10.09 C ATOM 486 O GLN A 31 9.544 5.211 14.208 1.00 9.36 O ATOM 487 CB GLN A 31 12.008 7.663 13.625 1.00 7.25 C ATOM 488 CG GLN A 31 12.405 8.690 14.690 1.00 10.62 C ATOM 489 CD GLN A 31 11.470 9.896 14.606 1.00 8.77 C ATOM 490 OE1 GLN A 31 10.444 9.838 13.960 1.00 8.56 O ATOM 491 NE2 GLN A 31 11.784 10.996 15.235 1.00 12.39 N ATOM 0 H GLN A 31 11.594 5.008 12.616 1.00 10.34 H new ATOM 0 HA GLN A 31 12.151 6.270 15.270 1.00 9.46 H new ATOM 0 HB2 GLN A 31 12.824 7.527 12.916 1.00 7.25 H new ATOM 0 HB3 GLN A 31 11.150 8.026 13.058 1.00 7.25 H new ATOM 0 HG2 GLN A 31 12.350 8.242 15.682 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.438 9.005 14.540 1.00 10.62 H new ATOM 0 HE21 GLN A 31 12.646 11.045 15.778 1.00 12.39 H new ATOM 0 HE22 GLN A 31 11.167 11.807 15.184 1.00 12.39 H new ATOM 500 N LEU A 32 9.541 7.286 14.939 1.00 6.80 N ATOM 501 CA LEU A 32 8.065 7.273 15.154 1.00 10.34 C ATOM 502 C LEU A 32 7.458 8.567 14.598 1.00 9.02 C ATOM 503 O LEU A 32 8.158 9.424 14.099 1.00 11.15 O ATOM 504 CB LEU A 32 7.784 7.176 16.655 1.00 10.20 C ATOM 505 CG LEU A 32 7.834 5.712 17.101 1.00 16.38 C ATOM 506 CD1 LEU A 32 8.951 5.532 18.132 1.00 17.42 C ATOM 507 CD2 LEU A 32 6.492 5.327 17.731 1.00 15.89 C ATOM 0 H LEU A 32 10.004 8.163 15.179 1.00 6.80 H new ATOM 0 HA LEU A 32 7.621 6.420 14.641 1.00 10.34 H new ATOM 0 HB2 LEU A 32 8.519 7.760 17.210 1.00 10.20 H new ATOM 0 HB3 LEU A 32 6.805 7.600 16.879 1.00 10.20 H new ATOM 0 HG LEU A 32 8.029 5.074 16.239 1.00 16.38 H new ATOM 0 HD11 LEU A 32 8.988 4.490 18.450 1.00 17.42 H new ATOM 0 HD12 LEU A 32 9.906 5.809 17.686 1.00 17.42 H new ATOM 0 HD13 LEU A 32 8.756 6.168 18.995 1.00 17.42 H new ATOM 0 HD21 LEU A 32 6.525 4.285 18.049 1.00 15.89 H new ATOM 0 HD22 LEU A 32 6.299 5.964 18.594 1.00 15.89 H new ATOM 0 HD23 LEU A 32 5.695 5.457 16.998 1.00 15.89 H new ATOM 519 N CYS A 33 6.158 8.718 14.674 1.00 9.68 N ATOM 520 CA CYS A 33 5.518 9.953 14.143 1.00 8.10 C ATOM 521 C CYS A 33 4.036 9.943 14.518 1.00 6.34 C ATOM 522 O CYS A 33 3.438 8.901 14.694 1.00 8.02 O ATOM 523 CB CYS A 33 5.638 10.017 12.611 1.00 8.88 C ATOM 524 SG CYS A 33 6.176 8.424 11.927 1.00 13.84 S ATOM 0 H CYS A 33 5.516 8.038 15.081 1.00 9.68 H new ATOM 0 HA CYS A 33 6.021 10.819 14.573 1.00 8.10 H new ATOM 0 HB2 CYS A 33 4.676 10.295 12.180 1.00 8.88 H new ATOM 0 HB3 CYS A 33 6.349 10.794 12.332 1.00 8.88 H new ATOM 0 HG CYS A 33 5.774 7.461 12.702 1.00 13.84 H new ATOM 530 N TYR A 34 3.434 11.094 14.624 1.00 7.35 N ATOM 531 CA TYR A 34 1.987 11.148 14.970 1.00 7.08 C ATOM 532 C TYR A 34 1.219 11.664 13.759 1.00 7.71 C ATOM 533 O TYR A 34 1.133 12.853 13.535 1.00 7.80 O ATOM 534 CB TYR A 34 1.765 12.117 16.128 1.00 8.67 C ATOM 535 CG TYR A 34 1.911 11.415 17.456 1.00 9.11 C ATOM 536 CD1 TYR A 34 2.810 10.358 17.613 1.00 13.61 C ATOM 537 CD2 TYR A 34 1.143 11.853 18.543 1.00 12.44 C ATOM 538 CE1 TYR A 34 2.937 9.738 18.861 1.00 17.22 C ATOM 539 CE2 TYR A 34 1.270 11.234 19.783 1.00 16.38 C ATOM 540 CZ TYR A 34 2.165 10.178 19.942 1.00 16.83 C ATOM 541 OH TYR A 34 2.292 9.565 21.172 1.00 21.14 O ATOM 0 H TYR A 34 3.882 12.000 14.486 1.00 7.35 H new ATOM 0 HA TYR A 34 1.645 10.153 15.255 1.00 7.08 H new ATOM 0 HB2 TYR A 34 2.482 12.936 16.065 1.00 8.67 H new ATOM 0 HB3 TYR A 34 0.771 12.558 16.053 1.00 8.67 H new ATOM 0 HD1 TYR A 34 3.404 10.021 16.776 1.00 13.61 H new ATOM 0 HD2 TYR A 34 0.451 12.673 18.418 1.00 12.44 H new ATOM 0 HE1 TYR A 34 3.631 8.920 18.990 1.00 17.22 H new ATOM 0 HE2 TYR A 34 0.676 11.571 20.620 1.00 16.38 H new ATOM 0 HH TYR A 34 1.686 9.991 21.814 1.00 21.14 H new ATOM 551 N VAL A 35 0.666 10.791 12.969 1.00 9.44 N ATOM 552 CA VAL A 35 -0.081 11.263 11.771 1.00 10.66 C ATOM 553 C VAL A 35 -1.576 11.322 12.074 1.00 10.57 C ATOM 554 O VAL A 35 -2.213 10.314 12.302 1.00 8.31 O ATOM 555 CB VAL A 35 0.158 10.307 10.602 1.00 10.22 C ATOM 556 CG1 VAL A 35 -0.713 10.733 9.417 1.00 7.97 C ATOM 557 CG2 VAL A 35 1.633 10.360 10.197 1.00 9.86 C ATOM 0 H VAL A 35 0.697 9.780 13.098 1.00 9.44 H new ATOM 0 HA VAL A 35 0.273 12.260 11.508 1.00 10.66 H new ATOM 0 HB VAL A 35 -0.100 9.291 10.899 1.00 10.22 H new ATOM 0 HG11 VAL A 35 -0.546 10.054 8.580 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -1.763 10.700 9.707 1.00 7.97 H new ATOM 0 HG13 VAL A 35 -0.450 11.748 9.119 1.00 7.97 H new ATOM 0 HG21 VAL A 35 1.806 9.679 9.364 1.00 9.86 H new ATOM 0 HG22 VAL A 35 1.891 11.375 9.896 1.00 9.86 H new ATOM 0 HG23 VAL A 35 2.253 10.063 11.043 1.00 9.86 H new ATOM 567 N ASP A 36 -2.149 12.496 12.066 1.00 8.58 N ATOM 568 CA ASP A 36 -3.597 12.605 12.336 1.00 11.48 C ATOM 569 C ASP A 36 -4.343 11.784 11.288 1.00 12.38 C ATOM 570 O ASP A 36 -5.386 11.222 11.548 1.00 11.89 O ATOM 571 CB ASP A 36 -4.031 14.070 12.246 1.00 16.17 C ATOM 572 CG ASP A 36 -3.398 14.716 11.013 1.00 17.97 C ATOM 573 OD1 ASP A 36 -2.264 15.156 11.115 1.00 25.89 O ATOM 574 OD2 ASP A 36 -4.057 14.760 9.987 1.00 15.67 O ATOM 0 H ASP A 36 -1.671 13.378 11.884 1.00 8.58 H new ATOM 0 HA ASP A 36 -3.821 12.233 13.336 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -5.117 14.135 12.186 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -3.728 14.606 13.146 1.00 16.17 H new ATOM 579 N LEU A 37 -3.805 11.711 10.101 1.00 13.17 N ATOM 580 CA LEU A 37 -4.471 10.928 9.027 1.00 18.47 C ATOM 581 C LEU A 37 -5.954 11.287 8.991 1.00 21.14 C ATOM 582 O LEU A 37 -6.788 10.489 8.613 1.00 24.24 O ATOM 583 CB LEU A 37 -4.316 9.436 9.309 1.00 15.81 C ATOM 584 CG LEU A 37 -4.939 8.640 8.164 1.00 20.59 C ATOM 585 CD1 LEU A 37 -3.866 7.770 7.510 1.00 14.72 C ATOM 586 CD2 LEU A 37 -6.059 7.752 8.712 1.00 20.01 C ATOM 0 H LEU A 37 -2.931 12.162 9.830 1.00 13.17 H new ATOM 0 HA LEU A 37 -4.012 11.162 8.066 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -3.261 9.181 9.413 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -4.800 9.180 10.251 1.00 15.81 H new ATOM 0 HG LEU A 37 -5.351 9.325 7.423 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -4.308 7.201 6.692 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -3.070 8.405 7.121 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -3.454 7.083 8.249 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -6.505 7.183 7.896 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -5.649 7.065 9.452 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -6.822 8.375 9.179 1.00 20.01 H new ATOM 598 N GLY A 38 -6.288 12.483 9.383 1.00 20.70 N ATOM 599 CA GLY A 38 -7.714 12.894 9.375 1.00 23.91 C ATOM 600 C GLY A 38 -8.477 12.104 10.445 1.00 26.50 C ATOM 601 O GLY A 38 -9.687 12.007 10.416 1.00 31.02 O ATOM 0 H GLY A 38 -5.633 13.193 9.709 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -7.797 13.963 9.568 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -8.151 12.713 8.393 1.00 23.91 H new ATOM 605 N ASN A 39 -7.771 11.528 11.385 1.00 27.64 N ATOM 606 CA ASN A 39 -8.441 10.732 12.451 1.00 30.27 C ATOM 607 C ASN A 39 -8.773 11.623 13.653 1.00 26.79 C ATOM 608 O ASN A 39 -8.871 11.157 14.771 1.00 26.87 O ATOM 609 CB ASN A 39 -7.510 9.602 12.902 1.00 35.62 C ATOM 610 CG ASN A 39 -7.306 8.608 11.757 1.00 41.31 C ATOM 611 OD1 ASN A 39 -8.140 8.494 10.880 1.00 43.23 O ATOM 612 ND2 ASN A 39 -6.223 7.874 11.729 1.00 39.63 N ATOM 0 H ASN A 39 -6.755 11.577 11.458 1.00 27.64 H new ATOM 0 HA ASN A 39 -9.366 10.316 12.052 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -6.550 10.013 13.214 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -7.935 9.092 13.767 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -6.079 7.206 10.971 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -5.523 7.969 12.465 1.00 39.63 H new ATOM 619 N GLU A 40 -8.954 12.894 13.435 1.00 25.15 N ATOM 620 CA GLU A 40 -9.288 13.809 14.569 1.00 23.81 C ATOM 621 C GLU A 40 -8.328 13.570 15.741 1.00 21.12 C ATOM 622 O GLU A 40 -8.627 13.888 16.874 1.00 19.86 O ATOM 623 CB GLU A 40 -10.724 13.544 15.028 1.00 27.22 C ATOM 624 CG GLU A 40 -11.663 13.590 13.821 1.00 34.87 C ATOM 625 CD GLU A 40 -12.553 14.831 13.914 1.00 38.97 C ATOM 626 OE1 GLU A 40 -12.040 15.920 13.718 1.00 42.34 O ATOM 627 OE2 GLU A 40 -13.733 14.670 14.178 1.00 39.54 O ATOM 0 H GLU A 40 -8.886 13.343 12.522 1.00 25.15 H new ATOM 0 HA GLU A 40 -9.191 14.842 14.234 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -10.788 12.571 15.515 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -11.025 14.289 15.765 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -11.085 13.613 12.897 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -12.277 12.690 13.790 1.00 34.87 H new ATOM 634 N HIS A 41 -7.177 13.018 15.475 1.00 5.38 N ATOM 635 CA HIS A 41 -6.188 12.757 16.563 1.00 4.55 C ATOM 636 C HIS A 41 -4.915 12.206 15.924 1.00 3.53 C ATOM 637 O HIS A 41 -4.977 11.615 14.867 1.00 2.94 O ATOM 638 CB HIS A 41 -6.755 11.727 17.544 1.00 5.17 C ATOM 639 CG HIS A 41 -7.415 12.432 18.695 1.00 4.43 C ATOM 640 ND1 HIS A 41 -8.793 12.486 18.840 1.00 4.70 N ATOM 641 CD2 HIS A 41 -6.898 13.115 19.765 1.00 4.30 C ATOM 642 CE1 HIS A 41 -9.054 13.181 19.962 1.00 4.50 C ATOM 643 NE2 HIS A 41 -7.934 13.588 20.565 1.00 4.36 N ATOM 0 H HIS A 41 -6.875 12.733 14.543 1.00 5.38 H new ATOM 0 HA HIS A 41 -5.975 13.678 17.106 1.00 4.55 H new ATOM 0 HB2 HIS A 41 -7.476 11.086 17.037 1.00 5.17 H new ATOM 0 HB3 HIS A 41 -5.957 11.082 17.910 1.00 5.17 H new ATOM 0 HD2 HIS A 41 -5.846 13.264 19.958 1.00 4.30 H new ATOM 0 HE1 HIS A 41 -10.049 13.385 20.330 1.00 4.50 H new ATOM 0 HE2 HIS A 41 -7.855 14.129 21.426 1.00 4.36 H new ATOM 651 N PRO A 42 -3.797 12.415 16.570 1.00 15.11 N ATOM 652 CA PRO A 42 -2.502 11.950 16.053 1.00 16.08 C ATOM 653 C PRO A 42 -2.346 10.451 16.248 1.00 17.92 C ATOM 654 O PRO A 42 -2.769 9.893 17.242 1.00 17.13 O ATOM 655 CB PRO A 42 -1.475 12.686 16.904 1.00 16.41 C ATOM 656 CG PRO A 42 -2.202 13.083 18.207 1.00 13.79 C ATOM 657 CD PRO A 42 -3.711 13.114 17.870 1.00 16.28 C ATOM 0 HA PRO A 42 -2.395 12.142 14.985 1.00 16.08 H new ATOM 0 HB2 PRO A 42 -0.616 12.049 17.116 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -1.098 13.567 16.384 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -1.996 12.366 19.001 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -1.862 14.057 18.561 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -4.302 12.610 18.635 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -4.084 14.136 17.800 1.00 16.28 H new ATOM 665 N VAL A 43 -1.721 9.797 15.319 1.00 16.29 N ATOM 666 CA VAL A 43 -1.515 8.343 15.463 1.00 14.28 C ATOM 667 C VAL A 43 -0.022 8.060 15.471 1.00 9.00 C ATOM 668 O VAL A 43 0.684 8.338 14.522 1.00 7.99 O ATOM 669 CB VAL A 43 -2.178 7.610 14.300 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.646 8.030 14.198 1.00 18.07 C ATOM 671 CG2 VAL A 43 -1.453 7.962 12.998 1.00 20.57 C ATOM 0 H VAL A 43 -1.344 10.209 14.466 1.00 16.29 H new ATOM 0 HA VAL A 43 -1.961 7.995 16.395 1.00 14.28 H new ATOM 0 HB VAL A 43 -2.122 6.535 14.469 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -4.118 7.506 13.367 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -4.162 7.779 15.125 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -3.706 9.105 14.029 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -1.925 7.439 12.166 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -1.509 9.037 12.830 1.00 20.57 H new ATOM 0 HG23 VAL A 43 -0.408 7.660 13.070 1.00 20.57 H new ATOM 681 N LEU A 44 0.464 7.516 16.543 1.00 10.19 N ATOM 682 CA LEU A 44 1.909 7.222 16.626 1.00 11.55 C ATOM 683 C LEU A 44 2.254 6.101 15.648 1.00 10.61 C ATOM 684 O LEU A 44 1.849 4.967 15.812 1.00 13.49 O ATOM 685 CB LEU A 44 2.246 6.807 18.050 1.00 10.60 C ATOM 686 CG LEU A 44 3.708 6.389 18.124 1.00 13.48 C ATOM 687 CD1 LEU A 44 4.585 7.454 17.465 1.00 15.65 C ATOM 688 CD2 LEU A 44 4.113 6.226 19.591 1.00 20.21 C ATOM 0 H LEU A 44 -0.081 7.262 17.367 1.00 10.19 H new ATOM 0 HA LEU A 44 2.490 8.106 16.364 1.00 11.55 H new ATOM 0 HB2 LEU A 44 2.058 7.634 18.735 1.00 10.60 H new ATOM 0 HB3 LEU A 44 1.605 5.982 18.361 1.00 10.60 H new ATOM 0 HG LEU A 44 3.842 5.443 17.600 1.00 13.48 H new ATOM 0 HD11 LEU A 44 5.630 7.150 17.521 1.00 15.65 H new ATOM 0 HD12 LEU A 44 4.295 7.568 16.420 1.00 15.65 H new ATOM 0 HD13 LEU A 44 4.455 8.404 17.984 1.00 15.65 H new ATOM 0 HD21 LEU A 44 5.160 5.927 19.648 1.00 20.21 H new ATOM 0 HD22 LEU A 44 3.977 7.173 20.113 1.00 20.21 H new ATOM 0 HD23 LEU A 44 3.491 5.462 20.057 1.00 20.21 H new ATOM 700 N VAL A 45 2.992 6.422 14.626 1.00 10.81 N ATOM 701 CA VAL A 45 3.368 5.397 13.615 1.00 9.29 C ATOM 702 C VAL A 45 4.885 5.226 13.608 1.00 9.95 C ATOM 703 O VAL A 45 5.611 5.999 14.201 1.00 9.36 O ATOM 704 CB VAL A 45 2.875 5.850 12.242 1.00 4.64 C ATOM 705 CG1 VAL A 45 3.680 5.171 11.126 1.00 7.95 C ATOM 706 CG2 VAL A 45 1.396 5.479 12.096 1.00 10.20 C ATOM 0 H VAL A 45 3.354 7.358 14.445 1.00 10.81 H new ATOM 0 HA VAL A 45 2.909 4.439 13.861 1.00 9.29 H new ATOM 0 HB VAL A 45 3.005 6.929 12.158 1.00 4.64 H new ATOM 0 HG11 VAL A 45 3.313 5.507 10.156 1.00 7.95 H new ATOM 0 HG12 VAL A 45 4.733 5.433 11.226 1.00 7.95 H new ATOM 0 HG13 VAL A 45 3.566 4.090 11.202 1.00 7.95 H new ATOM 0 HG21 VAL A 45 1.035 5.799 11.118 1.00 10.20 H new ATOM 0 HG22 VAL A 45 1.281 4.399 12.190 1.00 10.20 H new ATOM 0 HG23 VAL A 45 0.818 5.975 12.876 1.00 10.20 H new ATOM 716 N LYS A 46 5.371 4.211 12.952 1.00 10.76 N ATOM 717 CA LYS A 46 6.839 3.989 12.922 1.00 12.81 C ATOM 718 C LYS A 46 7.475 4.787 11.780 1.00 13.35 C ATOM 719 O LYS A 46 6.797 5.411 10.988 1.00 12.90 O ATOM 720 CB LYS A 46 7.127 2.500 12.729 1.00 17.04 C ATOM 721 CG LYS A 46 6.192 1.679 13.619 1.00 26.60 C ATOM 722 CD LYS A 46 6.915 0.417 14.093 1.00 33.77 C ATOM 723 CE LYS A 46 7.705 0.728 15.365 1.00 34.48 C ATOM 724 NZ LYS A 46 8.962 -0.072 15.378 1.00 36.74 N ATOM 0 H LYS A 46 4.816 3.528 12.437 1.00 10.76 H new ATOM 0 HA LYS A 46 7.266 4.326 13.867 1.00 12.81 H new ATOM 0 HB2 LYS A 46 6.986 2.224 11.684 1.00 17.04 H new ATOM 0 HB3 LYS A 46 8.166 2.284 12.979 1.00 17.04 H new ATOM 0 HG2 LYS A 46 5.875 2.273 14.476 1.00 26.60 H new ATOM 0 HG3 LYS A 46 5.291 1.409 13.067 1.00 26.60 H new ATOM 0 HD2 LYS A 46 6.194 -0.377 14.285 1.00 33.77 H new ATOM 0 HD3 LYS A 46 7.587 0.056 13.314 1.00 33.77 H new ATOM 0 HE2 LYS A 46 7.938 1.792 15.410 1.00 34.48 H new ATOM 0 HE3 LYS A 46 7.105 0.496 16.245 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 9.499 0.140 16.243 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 8.729 -1.085 15.354 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 9.537 0.171 14.546 1.00 36.74 H new ATOM 738 N ILE A 47 8.778 4.770 11.693 1.00 13.96 N ATOM 739 CA ILE A 47 9.471 5.521 10.611 1.00 16.93 C ATOM 740 C ILE A 47 10.838 4.877 10.352 1.00 16.52 C ATOM 741 O ILE A 47 11.331 4.098 11.143 1.00 17.67 O ATOM 742 CB ILE A 47 9.628 6.999 11.038 1.00 19.74 C ATOM 743 CG1 ILE A 47 8.684 7.863 10.205 1.00 19.39 C ATOM 744 CG2 ILE A 47 11.065 7.498 10.824 1.00 18.08 C ATOM 745 CD1 ILE A 47 9.209 7.948 8.770 1.00 18.26 C ATOM 0 H ILE A 47 9.394 4.265 12.330 1.00 13.96 H new ATOM 0 HA ILE A 47 8.889 5.487 9.690 1.00 16.93 H new ATOM 0 HB ILE A 47 9.390 7.071 12.099 1.00 19.74 H new ATOM 0 HG12 ILE A 47 7.681 7.437 10.213 1.00 19.39 H new ATOM 0 HG13 ILE A 47 8.610 8.861 10.637 1.00 19.39 H new ATOM 0 HG21 ILE A 47 11.138 8.540 11.135 1.00 18.08 H new ATOM 0 HG22 ILE A 47 11.752 6.894 11.416 1.00 18.08 H new ATOM 0 HG23 ILE A 47 11.326 7.415 9.769 1.00 18.08 H new ATOM 0 HD11 ILE A 47 8.537 8.564 8.173 1.00 18.26 H new ATOM 0 HD12 ILE A 47 10.204 8.393 8.772 1.00 18.26 H new ATOM 0 HD13 ILE A 47 9.260 6.947 8.342 1.00 18.26 H new ATOM 757 N THR A 48 11.456 5.209 9.253 1.00 16.86 N ATOM 758 CA THR A 48 12.791 4.633 8.945 1.00 16.59 C ATOM 759 C THR A 48 13.845 5.737 9.048 1.00 19.04 C ATOM 760 O THR A 48 13.571 6.895 8.806 1.00 22.56 O ATOM 761 CB THR A 48 12.784 4.061 7.530 1.00 16.30 C ATOM 762 OG1 THR A 48 11.692 3.164 7.388 1.00 17.90 O ATOM 763 CG2 THR A 48 14.095 3.320 7.271 1.00 16.02 C ATOM 0 H THR A 48 11.092 5.856 8.554 1.00 16.86 H new ATOM 0 HA THR A 48 13.023 3.837 9.652 1.00 16.59 H new ATOM 0 HB THR A 48 12.681 4.873 6.810 1.00 16.30 H new ATOM 0 HG1 THR A 48 12.028 2.273 7.158 1.00 17.90 H new ATOM 0 HG21 THR A 48 14.089 2.912 6.260 1.00 16.02 H new ATOM 0 HG22 THR A 48 14.931 4.011 7.378 1.00 16.02 H new ATOM 0 HG23 THR A 48 14.202 2.507 7.990 1.00 16.02 H new ATOM 771 N LEU A 49 15.044 5.387 9.414 1.00 18.35 N ATOM 772 CA LEU A 49 16.118 6.410 9.547 1.00 18.82 C ATOM 773 C LEU A 49 17.386 5.906 8.856 1.00 20.06 C ATOM 774 O LEU A 49 17.849 4.811 9.108 1.00 18.35 O ATOM 775 CB LEU A 49 16.405 6.649 11.037 1.00 18.79 C ATOM 776 CG LEU A 49 16.061 8.087 11.422 1.00 18.24 C ATOM 777 CD1 LEU A 49 17.189 9.017 10.968 1.00 20.41 C ATOM 778 CD2 LEU A 49 14.747 8.512 10.757 1.00 14.50 C ATOM 0 H LEU A 49 15.329 4.431 9.628 1.00 18.35 H new ATOM 0 HA LEU A 49 15.799 7.343 9.082 1.00 18.82 H new ATOM 0 HB2 LEU A 49 15.822 5.955 11.642 1.00 18.79 H new ATOM 0 HB3 LEU A 49 17.456 6.451 11.248 1.00 18.79 H new ATOM 0 HG LEU A 49 15.946 8.149 12.504 1.00 18.24 H new ATOM 0 HD11 LEU A 49 16.946 10.044 11.241 1.00 20.41 H new ATOM 0 HD12 LEU A 49 18.120 8.723 11.452 1.00 20.41 H new ATOM 0 HD13 LEU A 49 17.305 8.947 9.886 1.00 20.41 H new ATOM 0 HD21 LEU A 49 14.512 9.538 11.039 1.00 14.50 H new ATOM 0 HD22 LEU A 49 14.850 8.447 9.674 1.00 14.50 H new ATOM 0 HD23 LEU A 49 13.943 7.853 11.085 1.00 14.50 H new ATOM 790 N ASP A 50 17.950 6.695 7.984 1.00 22.62 N ATOM 791 CA ASP A 50 19.186 6.260 7.276 1.00 27.04 C ATOM 792 C ASP A 50 20.375 6.327 8.235 1.00 27.73 C ATOM 793 O ASP A 50 20.422 7.152 9.126 1.00 26.65 O ATOM 794 CB ASP A 50 19.440 7.182 6.081 1.00 29.11 C ATOM 795 CG ASP A 50 18.942 6.507 4.801 1.00 30.37 C ATOM 796 OD1 ASP A 50 19.628 5.621 4.317 1.00 33.99 O ATOM 797 OD2 ASP A 50 17.884 6.887 4.327 1.00 30.76 O ATOM 0 H ASP A 50 17.608 7.622 7.731 1.00 22.62 H new ATOM 0 HA ASP A 50 19.062 5.236 6.925 1.00 27.04 H new ATOM 0 HB2 ASP A 50 18.928 8.133 6.226 1.00 29.11 H new ATOM 0 HB3 ASP A 50 20.504 7.403 5.998 1.00 29.11 H new ATOM 802 N GLU A 51 21.336 5.462 8.061 1.00 31.16 N ATOM 803 CA GLU A 51 22.522 5.473 8.962 1.00 34.22 C ATOM 804 C GLU A 51 23.234 6.822 8.854 1.00 34.98 C ATOM 805 O GLU A 51 24.073 7.026 7.999 1.00 34.19 O ATOM 806 CB GLU A 51 23.483 4.355 8.552 1.00 38.24 C ATOM 807 CG GLU A 51 24.270 3.883 9.775 1.00 46.84 C ATOM 808 CD GLU A 51 25.749 3.744 9.410 1.00 51.38 C ATOM 809 OE1 GLU A 51 26.034 3.540 8.242 1.00 54.92 O ATOM 810 OE2 GLU A 51 26.572 3.844 10.305 1.00 53.83 O ATOM 0 H GLU A 51 21.351 4.748 7.333 1.00 31.16 H new ATOM 0 HA GLU A 51 22.198 5.316 9.991 1.00 34.22 H new ATOM 0 HB2 GLU A 51 22.926 3.523 8.121 1.00 38.24 H new ATOM 0 HB3 GLU A 51 24.167 4.713 7.783 1.00 38.24 H new ATOM 0 HG2 GLU A 51 24.152 4.594 10.593 1.00 46.84 H new ATOM 0 HG3 GLU A 51 23.880 2.927 10.125 1.00 46.84 H new ATOM 817 N GLY A 52 22.909 7.747 9.716 1.00 34.53 N ATOM 818 CA GLY A 52 23.570 9.081 9.661 1.00 34.93 C ATOM 819 C GLY A 52 22.510 10.183 9.673 1.00 36.10 C ATOM 820 O GLY A 52 22.744 11.277 10.147 1.00 35.97 O ATOM 0 H GLY A 52 22.215 7.636 10.455 1.00 34.53 H new ATOM 0 HA2 GLY A 52 24.242 9.200 10.511 1.00 34.93 H new ATOM 0 HA3 GLY A 52 24.179 9.159 8.760 1.00 34.93 H new ATOM 824 N GLN A 53 21.345 9.907 9.153 1.00 36.52 N ATOM 825 CA GLN A 53 20.275 10.944 9.135 1.00 35.40 C ATOM 826 C GLN A 53 19.722 11.137 10.552 1.00 31.02 C ATOM 827 O GLN A 53 19.631 10.193 11.312 1.00 29.05 O ATOM 828 CB GLN A 53 19.146 10.497 8.203 1.00 41.20 C ATOM 829 CG GLN A 53 19.085 11.431 6.993 1.00 47.61 C ATOM 830 CD GLN A 53 17.640 11.542 6.503 1.00 53.32 C ATOM 831 OE1 GLN A 53 17.347 11.232 5.365 1.00 53.91 O ATOM 832 NE2 GLN A 53 16.718 11.974 7.320 1.00 54.76 N ATOM 0 H GLN A 53 21.088 9.010 8.741 1.00 36.52 H new ATOM 0 HA GLN A 53 20.690 11.886 8.777 1.00 35.40 H new ATOM 0 HB2 GLN A 53 19.315 9.471 7.876 1.00 41.20 H new ATOM 0 HB3 GLN A 53 18.194 10.510 8.734 1.00 41.20 H new ATOM 0 HG2 GLN A 53 19.465 12.416 7.262 1.00 47.61 H new ATOM 0 HG3 GLN A 53 19.722 11.051 6.195 1.00 47.61 H new ATOM 0 HE21 GLN A 53 16.964 12.234 8.275 1.00 54.76 H new ATOM 0 HE22 GLN A 53 15.752 12.051 7.003 1.00 54.76 H new ATOM 841 N PRO A 54 19.370 12.360 10.863 1.00 27.43 N ATOM 842 CA PRO A 54 18.821 12.719 12.182 1.00 23.44 C ATOM 843 C PRO A 54 17.346 12.317 12.279 1.00 20.14 C ATOM 844 O PRO A 54 16.512 12.806 11.543 1.00 21.64 O ATOM 845 CB PRO A 54 18.975 14.238 12.236 1.00 24.39 C ATOM 846 CG PRO A 54 19.065 14.715 10.771 1.00 27.18 C ATOM 847 CD PRO A 54 19.487 13.497 9.930 1.00 28.37 C ATOM 0 HA PRO A 54 19.327 12.215 13.005 1.00 23.44 H new ATOM 0 HB2 PRO A 54 18.127 14.697 12.743 1.00 24.39 H new ATOM 0 HB3 PRO A 54 19.869 14.519 12.792 1.00 24.39 H new ATOM 0 HG2 PRO A 54 18.105 15.105 10.432 1.00 27.18 H new ATOM 0 HG3 PRO A 54 19.790 15.523 10.672 1.00 27.18 H new ATOM 0 HD2 PRO A 54 18.841 13.369 9.062 1.00 28.37 H new ATOM 0 HD3 PRO A 54 20.505 13.604 9.557 1.00 28.37 H new ATOM 855 N ALA A 55 17.018 11.430 13.180 1.00 17.21 N ATOM 856 CA ALA A 55 15.601 10.998 13.319 1.00 15.58 C ATOM 857 C ALA A 55 14.669 12.208 13.232 1.00 16.41 C ATOM 858 O ALA A 55 15.052 13.326 13.511 1.00 13.65 O ATOM 859 CB ALA A 55 15.416 10.312 14.670 1.00 13.98 C ATOM 0 H ALA A 55 17.672 10.987 13.825 1.00 17.21 H new ATOM 0 HA ALA A 55 15.358 10.305 12.513 1.00 15.58 H new ATOM 0 HB1 ALA A 55 14.379 9.993 14.777 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.071 9.443 14.729 1.00 13.98 H new ATOM 0 HB3 ALA A 55 15.666 11.010 15.469 1.00 13.98 H new ATOM 865 N TYR A 56 13.443 11.982 12.848 1.00 15.93 N ATOM 866 CA TYR A 56 12.467 13.101 12.739 1.00 14.61 C ATOM 867 C TYR A 56 12.498 13.941 14.018 1.00 15.51 C ATOM 868 O TYR A 56 12.107 13.493 15.077 1.00 17.19 O ATOM 869 CB TYR A 56 11.066 12.523 12.542 1.00 12.92 C ATOM 870 CG TYR A 56 10.944 11.895 11.164 1.00 11.75 C ATOM 871 CD1 TYR A 56 11.999 11.988 10.243 1.00 12.42 C ATOM 872 CD2 TYR A 56 9.770 11.224 10.812 1.00 7.14 C ATOM 873 CE1 TYR A 56 11.875 11.409 8.976 1.00 11.47 C ATOM 874 CE2 TYR A 56 9.646 10.647 9.547 1.00 7.90 C ATOM 875 CZ TYR A 56 10.697 10.737 8.627 1.00 10.29 C ATOM 876 OH TYR A 56 10.573 10.166 7.377 1.00 12.03 O ATOM 0 H TYR A 56 13.074 11.063 12.603 1.00 15.93 H new ATOM 0 HA TYR A 56 12.729 13.733 11.890 1.00 14.61 H new ATOM 0 HB2 TYR A 56 10.862 11.776 13.309 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.321 13.310 12.658 1.00 12.92 H new ATOM 0 HD1 TYR A 56 12.907 12.507 10.513 1.00 12.42 H new ATOM 0 HD2 TYR A 56 8.957 11.152 11.520 1.00 7.14 H new ATOM 0 HE1 TYR A 56 12.687 11.480 8.267 1.00 11.47 H new ATOM 0 HE2 TYR A 56 8.737 10.130 9.278 1.00 7.90 H new ATOM 0 HH TYR A 56 11.245 9.460 7.272 1.00 12.03 H new ATOM 886 N ALA A 57 12.958 15.160 13.926 1.00 13.38 N ATOM 887 CA ALA A 57 13.010 16.031 15.134 1.00 14.95 C ATOM 888 C ALA A 57 11.583 16.334 15.602 1.00 15.46 C ATOM 889 O ALA A 57 10.628 15.920 14.976 1.00 17.82 O ATOM 890 CB ALA A 57 13.721 17.340 14.786 1.00 14.98 C ATOM 0 H ALA A 57 13.300 15.590 13.066 1.00 13.38 H new ATOM 0 HA ALA A 57 13.554 15.522 15.929 1.00 14.95 H new ATOM 0 HB1 ALA A 57 13.760 17.979 15.668 1.00 14.98 H new ATOM 0 HB2 ALA A 57 14.735 17.125 14.449 1.00 14.98 H new ATOM 0 HB3 ALA A 57 13.175 17.851 13.993 1.00 14.98 H new ATOM 896 N PRO A 58 11.482 17.050 16.693 1.00 15.20 N ATOM 897 CA PRO A 58 10.183 17.429 17.276 1.00 16.55 C ATOM 898 C PRO A 58 9.573 18.599 16.498 1.00 16.75 C ATOM 899 O PRO A 58 10.092 19.697 16.504 1.00 17.28 O ATOM 900 CB PRO A 58 10.540 17.847 18.705 1.00 15.65 C ATOM 901 CG PRO A 58 12.041 18.225 18.688 1.00 14.16 C ATOM 902 CD PRO A 58 12.652 17.548 17.447 1.00 13.96 C ATOM 0 HA PRO A 58 9.446 16.627 17.245 1.00 16.55 H new ATOM 0 HB2 PRO A 58 9.930 18.692 19.026 1.00 15.65 H new ATOM 0 HB3 PRO A 58 10.352 17.034 19.406 1.00 15.65 H new ATOM 0 HG2 PRO A 58 12.167 19.307 18.641 1.00 14.16 H new ATOM 0 HG3 PRO A 58 12.536 17.885 19.598 1.00 14.16 H new ATOM 0 HD2 PRO A 58 13.236 18.253 16.856 1.00 13.96 H new ATOM 0 HD3 PRO A 58 13.322 16.735 17.726 1.00 13.96 H new ATOM 910 N GLY A 59 8.477 18.372 15.824 1.00 17.22 N ATOM 911 CA GLY A 59 7.844 19.473 15.046 1.00 15.08 C ATOM 912 C GLY A 59 6.668 18.927 14.232 1.00 14.96 C ATOM 913 O GLY A 59 6.405 17.742 14.231 1.00 13.79 O ATOM 0 H GLY A 59 7.995 17.474 15.779 1.00 17.22 H new ATOM 0 HA2 GLY A 59 7.498 20.255 15.722 1.00 15.08 H new ATOM 0 HA3 GLY A 59 8.578 19.928 14.381 1.00 15.08 H new ATOM 917 N LEU A 60 5.966 19.780 13.531 1.00 15.83 N ATOM 918 CA LEU A 60 4.821 19.305 12.702 1.00 14.53 C ATOM 919 C LEU A 60 5.383 18.617 11.462 1.00 14.15 C ATOM 920 O LEU A 60 6.476 18.918 11.031 1.00 13.27 O ATOM 921 CB LEU A 60 3.965 20.499 12.274 1.00 15.84 C ATOM 922 CG LEU A 60 2.834 20.706 13.280 1.00 16.91 C ATOM 923 CD1 LEU A 60 3.372 21.439 14.510 1.00 19.57 C ATOM 924 CD2 LEU A 60 1.724 21.538 12.632 1.00 15.01 C ATOM 0 H LEU A 60 6.137 20.785 13.498 1.00 15.83 H new ATOM 0 HA LEU A 60 4.205 18.613 13.276 1.00 14.53 H new ATOM 0 HB2 LEU A 60 4.580 21.397 12.213 1.00 15.84 H new ATOM 0 HB3 LEU A 60 3.554 20.326 11.279 1.00 15.84 H new ATOM 0 HG LEU A 60 2.434 19.738 13.583 1.00 16.91 H new ATOM 0 HD11 LEU A 60 2.565 21.587 15.228 1.00 19.57 H new ATOM 0 HD12 LEU A 60 4.163 20.846 14.970 1.00 19.57 H new ATOM 0 HD13 LEU A 60 3.772 22.407 14.210 1.00 19.57 H new ATOM 0 HD21 LEU A 60 0.916 21.687 13.348 1.00 15.01 H new ATOM 0 HD22 LEU A 60 2.124 22.506 12.330 1.00 15.01 H new ATOM 0 HD23 LEU A 60 1.341 21.014 11.756 1.00 15.01 H new ATOM 936 N TYR A 61 4.670 17.687 10.886 1.00 11.12 N ATOM 937 CA TYR A 61 5.215 16.999 9.690 1.00 9.57 C ATOM 938 C TYR A 61 4.145 16.757 8.644 1.00 11.76 C ATOM 939 O TYR A 61 2.958 16.826 8.896 1.00 11.26 O ATOM 940 CB TYR A 61 5.809 15.658 10.097 1.00 9.42 C ATOM 941 CG TYR A 61 7.212 15.875 10.583 1.00 10.29 C ATOM 942 CD1 TYR A 61 7.431 16.524 11.797 1.00 10.68 C ATOM 943 CD2 TYR A 61 8.293 15.434 9.812 1.00 10.26 C ATOM 944 CE1 TYR A 61 8.734 16.736 12.247 1.00 13.03 C ATOM 945 CE2 TYR A 61 9.598 15.645 10.261 1.00 13.99 C ATOM 946 CZ TYR A 61 9.815 16.297 11.478 1.00 11.06 C ATOM 947 OH TYR A 61 11.103 16.503 11.933 1.00 14.61 O ATOM 0 H TYR A 61 3.746 17.380 11.190 1.00 11.12 H new ATOM 0 HA TYR A 61 5.980 17.645 9.260 1.00 9.57 H new ATOM 0 HB2 TYR A 61 5.205 15.201 10.881 1.00 9.42 H new ATOM 0 HB3 TYR A 61 5.805 14.972 9.250 1.00 9.42 H new ATOM 0 HD1 TYR A 61 6.593 16.862 12.388 1.00 10.68 H new ATOM 0 HD2 TYR A 61 8.118 14.932 8.872 1.00 10.26 H new ATOM 0 HE1 TYR A 61 8.907 17.238 13.187 1.00 13.03 H new ATOM 0 HE2 TYR A 61 10.436 15.306 9.670 1.00 13.99 H new ATOM 0 HH TYR A 61 11.105 16.518 12.913 1.00 14.61 H new ATOM 957 N THR A 62 4.590 16.441 7.468 1.00 12.22 N ATOM 958 CA THR A 62 3.674 16.144 6.354 1.00 14.26 C ATOM 959 C THR A 62 4.346 15.072 5.524 1.00 15.40 C ATOM 960 O THR A 62 5.446 15.248 5.038 1.00 16.24 O ATOM 961 CB THR A 62 3.451 17.388 5.508 1.00 15.07 C ATOM 962 OG1 THR A 62 4.661 17.737 4.850 1.00 18.36 O ATOM 963 CG2 THR A 62 3.004 18.535 6.410 1.00 11.61 C ATOM 0 H THR A 62 5.580 16.376 7.231 1.00 12.22 H new ATOM 0 HA THR A 62 2.702 15.815 6.722 1.00 14.26 H new ATOM 0 HB THR A 62 2.681 17.192 4.761 1.00 15.07 H new ATOM 0 HG1 THR A 62 5.131 16.922 4.576 1.00 18.36 H new ATOM 0 HG21 THR A 62 2.843 19.429 5.808 1.00 11.61 H new ATOM 0 HG22 THR A 62 2.075 18.263 6.912 1.00 11.61 H new ATOM 0 HG23 THR A 62 3.774 18.733 7.155 1.00 11.61 H new ATOM 971 N VAL A 63 3.722 13.957 5.378 1.00 14.65 N ATOM 972 CA VAL A 63 4.368 12.877 4.601 1.00 15.17 C ATOM 973 C VAL A 63 4.839 13.445 3.270 1.00 14.24 C ATOM 974 O VAL A 63 4.528 14.564 2.914 1.00 19.13 O ATOM 975 CB VAL A 63 3.401 11.721 4.377 1.00 15.23 C ATOM 976 CG1 VAL A 63 4.191 10.500 3.917 1.00 14.85 C ATOM 977 CG2 VAL A 63 2.683 11.392 5.692 1.00 18.64 C ATOM 0 H VAL A 63 2.800 13.741 5.757 1.00 14.65 H new ATOM 0 HA VAL A 63 5.222 12.491 5.157 1.00 15.17 H new ATOM 0 HB VAL A 63 2.665 11.997 3.622 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.509 9.666 3.753 1.00 14.85 H new ATOM 0 HG12 VAL A 63 4.710 10.732 2.987 1.00 14.85 H new ATOM 0 HG13 VAL A 63 4.919 10.229 4.681 1.00 14.85 H new ATOM 0 HG21 VAL A 63 1.991 10.565 5.532 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.417 11.110 6.447 1.00 18.64 H new ATOM 0 HG23 VAL A 63 2.130 12.267 6.033 1.00 18.64 H new ATOM 987 N HIS A 64 5.597 12.691 2.539 1.00 13.31 N ATOM 988 CA HIS A 64 6.103 13.193 1.236 1.00 10.78 C ATOM 989 C HIS A 64 5.831 12.141 0.159 1.00 14.19 C ATOM 990 O HIS A 64 6.251 11.001 0.271 1.00 11.59 O ATOM 991 CB HIS A 64 7.606 13.459 1.344 1.00 11.86 C ATOM 992 CG HIS A 64 8.019 14.485 0.326 1.00 13.39 C ATOM 993 ND1 HIS A 64 7.395 14.602 -0.905 1.00 17.90 N ATOM 994 CD2 HIS A 64 9.014 15.433 0.335 1.00 17.63 C ATOM 995 CE1 HIS A 64 8.020 15.578 -1.586 1.00 19.32 C ATOM 996 NE2 HIS A 64 9.013 16.121 -0.876 1.00 20.65 N ATOM 0 H HIS A 64 5.891 11.746 2.785 1.00 13.31 H new ATOM 0 HA HIS A 64 5.598 14.121 0.970 1.00 10.78 H new ATOM 0 HB2 HIS A 64 7.851 13.810 2.347 1.00 11.86 H new ATOM 0 HB3 HIS A 64 8.160 12.534 1.186 1.00 11.86 H new ATOM 0 HD2 HIS A 64 9.692 15.616 1.155 1.00 17.63 H new ATOM 0 HE1 HIS A 64 7.752 15.886 -2.586 1.00 19.32 H new ATOM 0 HE2 HIS A 64 9.636 16.877 -1.160 1.00 20.65 H new ATOM 1004 N LEU A 65 5.123 12.514 -0.877 1.00 12.93 N ATOM 1005 CA LEU A 65 4.802 11.548 -1.963 1.00 14.44 C ATOM 1006 C LEU A 65 6.086 11.148 -2.696 1.00 12.66 C ATOM 1007 O LEU A 65 6.079 10.273 -3.539 1.00 10.20 O ATOM 1008 CB LEU A 65 3.762 12.200 -2.905 1.00 14.94 C ATOM 1009 CG LEU A 65 4.285 12.402 -4.337 1.00 19.65 C ATOM 1010 CD1 LEU A 65 3.360 11.686 -5.319 1.00 15.75 C ATOM 1011 CD2 LEU A 65 4.312 13.900 -4.656 1.00 19.03 C ATOM 0 H LEU A 65 4.752 13.454 -1.015 1.00 12.93 H new ATOM 0 HA LEU A 65 4.370 10.633 -1.558 1.00 14.44 H new ATOM 0 HB2 LEU A 65 2.868 11.577 -2.936 1.00 14.94 H new ATOM 0 HB3 LEU A 65 3.464 13.165 -2.494 1.00 14.94 H new ATOM 0 HG LEU A 65 5.291 11.992 -4.424 1.00 19.65 H new ATOM 0 HD11 LEU A 65 3.728 11.828 -6.335 1.00 15.75 H new ATOM 0 HD12 LEU A 65 3.337 10.621 -5.087 1.00 15.75 H new ATOM 0 HD13 LEU A 65 2.354 12.097 -5.237 1.00 15.75 H new ATOM 0 HD21 LEU A 65 4.682 14.049 -5.670 1.00 19.03 H new ATOM 0 HD22 LEU A 65 3.305 14.308 -4.574 1.00 19.03 H new ATOM 0 HD23 LEU A 65 4.969 14.410 -3.951 1.00 19.03 H new ATOM 1023 N SER A 66 7.189 11.766 -2.377 1.00 13.51 N ATOM 1024 CA SER A 66 8.460 11.400 -3.052 1.00 10.39 C ATOM 1025 C SER A 66 8.683 9.894 -2.888 1.00 8.56 C ATOM 1026 O SER A 66 9.495 9.296 -3.566 1.00 11.70 O ATOM 1027 CB SER A 66 9.618 12.160 -2.404 1.00 12.88 C ATOM 1028 OG SER A 66 10.849 11.666 -2.917 1.00 14.72 O ATOM 0 H SER A 66 7.263 12.507 -1.680 1.00 13.51 H new ATOM 0 HA SER A 66 8.410 11.658 -4.110 1.00 10.39 H new ATOM 0 HB2 SER A 66 9.528 13.227 -2.608 1.00 12.88 H new ATOM 0 HB3 SER A 66 9.587 12.039 -1.321 1.00 12.88 H new ATOM 0 HG SER A 66 10.709 10.777 -3.304 1.00 14.72 H new ATOM 1034 N SER A 67 7.972 9.283 -1.976 1.00 7.98 N ATOM 1035 CA SER A 67 8.142 7.822 -1.742 1.00 8.20 C ATOM 1036 C SER A 67 7.048 7.021 -2.463 1.00 11.02 C ATOM 1037 O SER A 67 7.066 5.806 -2.463 1.00 11.45 O ATOM 1038 CB SER A 67 8.057 7.539 -0.244 1.00 8.01 C ATOM 1039 OG SER A 67 9.032 8.320 0.437 1.00 11.22 O ATOM 0 H SER A 67 7.278 9.737 -1.382 1.00 7.98 H new ATOM 0 HA SER A 67 9.114 7.520 -2.132 1.00 8.20 H new ATOM 0 HB2 SER A 67 7.060 7.777 0.127 1.00 8.01 H new ATOM 0 HB3 SER A 67 8.224 6.479 -0.052 1.00 8.01 H new ATOM 0 HG SER A 67 9.484 7.767 1.108 1.00 11.22 H new ATOM 1045 N PHE A 68 6.087 7.675 -3.059 1.00 10.09 N ATOM 1046 CA PHE A 68 5.000 6.918 -3.748 1.00 11.79 C ATOM 1047 C PHE A 68 5.469 6.475 -5.133 1.00 12.69 C ATOM 1048 O PHE A 68 6.353 7.064 -5.722 1.00 14.25 O ATOM 1049 CB PHE A 68 3.758 7.802 -3.884 1.00 10.08 C ATOM 1050 CG PHE A 68 3.391 8.395 -2.541 1.00 11.89 C ATOM 1051 CD1 PHE A 68 4.053 7.992 -1.369 1.00 12.12 C ATOM 1052 CD2 PHE A 68 2.398 9.377 -2.476 1.00 10.16 C ATOM 1053 CE1 PHE A 68 3.720 8.575 -0.144 1.00 10.35 C ATOM 1054 CE2 PHE A 68 2.063 9.956 -1.248 1.00 9.89 C ATOM 1055 CZ PHE A 68 2.726 9.555 -0.083 1.00 11.87 C ATOM 0 H PHE A 68 6.007 8.691 -3.099 1.00 10.09 H new ATOM 0 HA PHE A 68 4.752 6.037 -3.156 1.00 11.79 H new ATOM 0 HB2 PHE A 68 3.947 8.599 -4.603 1.00 10.08 H new ATOM 0 HB3 PHE A 68 2.925 7.215 -4.271 1.00 10.08 H new ATOM 0 HD1 PHE A 68 4.819 7.232 -1.415 1.00 12.12 H new ATOM 0 HD2 PHE A 68 1.889 9.689 -3.376 1.00 10.16 H new ATOM 0 HE1 PHE A 68 4.231 8.268 0.756 1.00 10.35 H new ATOM 0 HE2 PHE A 68 1.293 10.712 -1.199 1.00 9.89 H new ATOM 0 HZ PHE A 68 2.469 10.004 0.865 1.00 11.87 H new ATOM 1065 N LYS A 69 4.878 5.436 -5.654 1.00 12.51 N ATOM 1066 CA LYS A 69 5.279 4.942 -7.001 1.00 15.38 C ATOM 1067 C LYS A 69 4.042 4.436 -7.744 1.00 15.02 C ATOM 1068 O LYS A 69 2.969 4.332 -7.184 1.00 15.36 O ATOM 1069 CB LYS A 69 6.284 3.798 -6.846 1.00 16.04 C ATOM 1070 CG LYS A 69 7.518 4.297 -6.093 1.00 20.35 C ATOM 1071 CD LYS A 69 8.775 3.660 -6.692 1.00 21.35 C ATOM 1072 CE LYS A 69 9.323 2.607 -5.727 1.00 30.24 C ATOM 1073 NZ LYS A 69 10.776 2.400 -5.992 1.00 32.70 N ATOM 0 H LYS A 69 4.132 4.906 -5.203 1.00 12.51 H new ATOM 0 HA LYS A 69 5.737 5.754 -7.566 1.00 15.38 H new ATOM 0 HB2 LYS A 69 5.826 2.969 -6.306 1.00 16.04 H new ATOM 0 HB3 LYS A 69 6.573 3.419 -7.826 1.00 16.04 H new ATOM 0 HG2 LYS A 69 7.582 5.383 -6.158 1.00 20.35 H new ATOM 0 HG3 LYS A 69 7.438 4.045 -5.036 1.00 20.35 H new ATOM 0 HD2 LYS A 69 8.541 3.201 -7.653 1.00 21.35 H new ATOM 0 HD3 LYS A 69 9.529 4.424 -6.879 1.00 21.35 H new ATOM 0 HE2 LYS A 69 9.172 2.929 -4.697 1.00 30.24 H new ATOM 0 HE3 LYS A 69 8.782 1.669 -5.850 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 11.150 1.684 -5.337 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 10.907 2.075 -6.971 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 11.285 3.296 -5.853 1.00 32.70 H new ATOM 1087 N VAL A 70 4.181 4.124 -9.003 1.00 13.65 N ATOM 1088 CA VAL A 70 3.008 3.627 -9.779 1.00 13.49 C ATOM 1089 C VAL A 70 3.280 2.202 -10.264 1.00 11.85 C ATOM 1090 O VAL A 70 4.325 1.910 -10.810 1.00 12.13 O ATOM 1091 CB VAL A 70 2.758 4.533 -10.986 1.00 14.48 C ATOM 1092 CG1 VAL A 70 1.255 4.609 -11.264 1.00 14.02 C ATOM 1093 CG2 VAL A 70 3.297 5.939 -10.706 1.00 15.63 C ATOM 0 H VAL A 70 5.053 4.191 -9.528 1.00 13.65 H new ATOM 0 HA VAL A 70 2.128 3.634 -9.135 1.00 13.49 H new ATOM 0 HB VAL A 70 3.271 4.120 -11.855 1.00 14.48 H new ATOM 0 HG11 VAL A 70 1.076 5.254 -12.124 1.00 14.02 H new ATOM 0 HG12 VAL A 70 0.873 3.610 -11.474 1.00 14.02 H new ATOM 0 HG13 VAL A 70 0.744 5.017 -10.392 1.00 14.02 H new ATOM 0 HG21 VAL A 70 3.115 6.577 -11.571 1.00 15.63 H new ATOM 0 HG22 VAL A 70 2.792 6.355 -9.835 1.00 15.63 H new ATOM 0 HG23 VAL A 70 4.369 5.886 -10.513 1.00 15.63 H new ATOM 1103 N GLY A 71 2.346 1.311 -10.069 1.00 11.15 N ATOM 1104 CA GLY A 71 2.549 -0.095 -10.521 1.00 11.07 C ATOM 1105 C GLY A 71 2.210 -0.206 -12.009 1.00 12.15 C ATOM 1106 O GLY A 71 1.770 0.744 -12.625 1.00 12.70 O ATOM 0 H GLY A 71 1.451 1.496 -9.616 1.00 11.15 H new ATOM 0 HA2 GLY A 71 3.582 -0.398 -10.349 1.00 11.07 H new ATOM 0 HA3 GLY A 71 1.918 -0.769 -9.942 1.00 11.07 H new ATOM 1110 N GLN A 72 2.411 -1.356 -12.595 1.00 15.78 N ATOM 1111 CA GLN A 72 2.100 -1.515 -14.042 1.00 19.42 C ATOM 1112 C GLN A 72 0.617 -1.833 -14.223 1.00 16.97 C ATOM 1113 O GLN A 72 0.167 -2.173 -15.299 1.00 20.46 O ATOM 1114 CB GLN A 72 2.953 -2.638 -14.629 1.00 22.64 C ATOM 1115 CG GLN A 72 2.409 -3.984 -14.163 1.00 25.29 C ATOM 1116 CD GLN A 72 3.480 -4.721 -13.361 1.00 26.29 C ATOM 1117 OE1 GLN A 72 4.455 -5.191 -13.913 1.00 26.22 O ATOM 1118 NE2 GLN A 72 3.337 -4.842 -12.070 1.00 25.15 N ATOM 0 H GLN A 72 2.776 -2.189 -12.134 1.00 15.78 H new ATOM 0 HA GLN A 72 2.326 -0.585 -14.564 1.00 19.42 H new ATOM 0 HB2 GLN A 72 2.943 -2.586 -15.718 1.00 22.64 H new ATOM 0 HB3 GLN A 72 3.990 -2.524 -14.314 1.00 22.64 H new ATOM 0 HG2 GLN A 72 1.520 -3.836 -13.550 1.00 25.29 H new ATOM 0 HG3 GLN A 72 2.108 -4.583 -15.022 1.00 25.29 H new ATOM 0 HE21 GLN A 72 2.518 -4.447 -11.608 1.00 25.15 H new ATOM 0 HE22 GLN A 72 4.044 -5.332 -11.522 1.00 25.15 H new ATOM 1127 N PHE A 73 -0.139 -1.723 -13.175 1.00 14.56 N ATOM 1128 CA PHE A 73 -1.594 -2.013 -13.266 1.00 14.60 C ATOM 1129 C PHE A 73 -2.381 -0.708 -13.136 1.00 15.63 C ATOM 1130 O PHE A 73 -3.589 -0.710 -13.004 1.00 17.80 O ATOM 1131 CB PHE A 73 -1.990 -2.963 -12.136 1.00 12.63 C ATOM 1132 CG PHE A 73 -3.463 -3.263 -12.230 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -4.008 -3.722 -13.435 1.00 16.27 C ATOM 1134 CD2 PHE A 73 -4.288 -3.083 -11.113 1.00 19.79 C ATOM 1135 CE1 PHE A 73 -5.377 -4.001 -13.524 1.00 20.44 C ATOM 1136 CE2 PHE A 73 -5.657 -3.361 -11.201 1.00 18.68 C ATOM 1137 CZ PHE A 73 -6.202 -3.820 -12.407 1.00 17.88 C ATOM 0 H PHE A 73 0.189 -1.443 -12.251 1.00 14.56 H new ATOM 0 HA PHE A 73 -1.817 -2.476 -14.227 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -1.414 -3.886 -12.203 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -1.760 -2.513 -11.170 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -3.372 -3.861 -14.297 1.00 16.27 H new ATOM 0 HD2 PHE A 73 -3.868 -2.729 -10.183 1.00 19.79 H new ATOM 0 HE1 PHE A 73 -5.797 -4.356 -14.454 1.00 20.44 H new ATOM 0 HE2 PHE A 73 -6.293 -3.222 -10.339 1.00 18.68 H new ATOM 0 HZ PHE A 73 -7.258 -4.034 -12.475 1.00 17.88 H new ATOM 1147 N GLY A 74 -1.706 0.409 -13.169 1.00 13.82 N ATOM 1148 CA GLY A 74 -2.415 1.713 -13.046 1.00 13.44 C ATOM 1149 C GLY A 74 -2.927 1.883 -11.615 1.00 10.42 C ATOM 1150 O GLY A 74 -4.112 1.805 -11.356 1.00 13.62 O ATOM 0 H GLY A 74 -0.694 0.474 -13.276 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -1.741 2.531 -13.302 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -3.247 1.754 -13.749 1.00 13.44 H new ATOM 1154 N SER A 75 -2.044 2.113 -10.682 1.00 12.64 N ATOM 1155 CA SER A 75 -2.483 2.287 -9.268 1.00 12.47 C ATOM 1156 C SER A 75 -1.340 2.884 -8.443 1.00 12.47 C ATOM 1157 O SER A 75 -0.327 2.252 -8.218 1.00 11.32 O ATOM 1158 CB SER A 75 -2.872 0.928 -8.687 1.00 11.21 C ATOM 1159 OG SER A 75 -3.665 0.222 -9.632 1.00 18.27 O ATOM 0 H SER A 75 -1.039 2.188 -10.837 1.00 12.64 H new ATOM 0 HA SER A 75 -3.341 2.959 -9.236 1.00 12.47 H new ATOM 0 HB2 SER A 75 -1.978 0.354 -8.445 1.00 11.21 H new ATOM 0 HB3 SER A 75 -3.426 1.062 -7.758 1.00 11.21 H new ATOM 0 HG SER A 75 -4.323 0.832 -10.028 1.00 18.27 H new ATOM 1165 N LEU A 76 -1.497 4.097 -7.985 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.422 4.732 -7.170 1.00 12.18 C ATOM 1167 C LEU A 76 -0.322 4.013 -5.822 1.00 12.07 C ATOM 1168 O LEU A 76 -1.290 3.472 -5.327 1.00 9.82 O ATOM 1169 CB LEU A 76 -0.762 6.206 -6.938 1.00 11.99 C ATOM 1170 CG LEU A 76 0.529 7.010 -6.773 1.00 8.87 C ATOM 1171 CD1 LEU A 76 0.511 8.206 -7.727 1.00 9.28 C ATOM 1172 CD2 LEU A 76 0.636 7.508 -5.329 1.00 7.80 C ATOM 0 H LEU A 76 -2.323 4.675 -8.140 1.00 12.43 H new ATOM 0 HA LEU A 76 0.530 4.659 -7.696 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -1.339 6.593 -7.778 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -1.384 6.311 -6.049 1.00 11.99 H new ATOM 0 HG LEU A 76 1.385 6.376 -7.004 1.00 8.87 H new ATOM 0 HD11 LEU A 76 1.431 8.779 -7.610 1.00 9.28 H new ATOM 0 HD12 LEU A 76 0.434 7.851 -8.755 1.00 9.28 H new ATOM 0 HD13 LEU A 76 -0.344 8.842 -7.498 1.00 9.28 H new ATOM 0 HD21 LEU A 76 1.555 8.081 -5.209 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -0.220 8.142 -5.099 1.00 7.80 H new ATOM 0 HD23 LEU A 76 0.649 6.655 -4.650 1.00 7.80 H new ATOM 1184 N MET A 77 0.839 3.999 -5.225 1.00 14.08 N ATOM 1185 CA MET A 77 0.988 3.310 -3.912 1.00 14.12 C ATOM 1186 C MET A 77 2.274 3.774 -3.225 1.00 11.37 C ATOM 1187 O MET A 77 3.299 3.945 -3.853 1.00 11.44 O ATOM 1188 CB MET A 77 1.049 1.797 -4.136 1.00 16.48 C ATOM 1189 CG MET A 77 -0.361 1.261 -4.388 1.00 24.75 C ATOM 1190 SD MET A 77 -0.513 -0.396 -3.677 1.00 35.11 S ATOM 1191 CE MET A 77 -1.222 0.104 -2.088 1.00 33.86 C ATOM 0 H MET A 77 1.688 4.433 -5.588 1.00 14.08 H new ATOM 0 HA MET A 77 0.134 3.554 -3.279 1.00 14.12 H new ATOM 0 HB2 MET A 77 1.693 1.570 -4.986 1.00 16.48 H new ATOM 0 HB3 MET A 77 1.486 1.307 -3.266 1.00 16.48 H new ATOM 0 HG2 MET A 77 -1.100 1.928 -3.944 1.00 24.75 H new ATOM 0 HG3 MET A 77 -0.563 1.229 -5.459 1.00 24.75 H new ATOM 0 HE1 MET A 77 -1.401 -0.780 -1.475 1.00 33.86 H new ATOM 0 HE2 MET A 77 -0.528 0.768 -1.573 1.00 33.86 H new ATOM 0 HE3 MET A 77 -2.164 0.625 -2.258 1.00 33.86 H new ATOM 1201 N ILE A 78 2.224 3.977 -1.937 1.00 11.78 N ATOM 1202 CA ILE A 78 3.442 4.427 -1.202 1.00 11.62 C ATOM 1203 C ILE A 78 4.489 3.309 -1.199 1.00 11.45 C ATOM 1204 O ILE A 78 4.174 2.148 -1.032 1.00 12.59 O ATOM 1205 CB ILE A 78 3.084 4.749 0.246 1.00 12.05 C ATOM 1206 CG1 ILE A 78 2.142 5.955 0.305 1.00 7.09 C ATOM 1207 CG2 ILE A 78 4.362 5.057 1.028 1.00 10.70 C ATOM 1208 CD1 ILE A 78 0.884 5.580 1.097 1.00 13.67 C ATOM 0 H ILE A 78 1.392 3.851 -1.361 1.00 11.78 H new ATOM 0 HA ILE A 78 3.839 5.313 -1.697 1.00 11.62 H new ATOM 0 HB ILE A 78 2.581 3.889 0.687 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.644 6.800 0.777 1.00 7.09 H new ATOM 0 HG13 ILE A 78 1.871 6.268 -0.703 1.00 7.09 H new ATOM 0 HG21 ILE A 78 4.109 5.287 2.063 1.00 10.70 H new ATOM 0 HG22 ILE A 78 5.023 4.191 1.000 1.00 10.70 H new ATOM 0 HG23 ILE A 78 4.866 5.913 0.579 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.212 6.437 1.140 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.379 4.748 0.606 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.165 5.288 2.109 1.00 13.67 H new ATOM 1220 N ASP A 79 5.734 3.659 -1.353 1.00 10.05 N ATOM 1221 CA ASP A 79 6.818 2.632 -1.330 1.00 14.79 C ATOM 1222 C ASP A 79 7.632 2.817 -0.045 1.00 15.20 C ATOM 1223 O ASP A 79 8.332 1.932 0.403 1.00 18.10 O ATOM 1224 CB ASP A 79 7.727 2.817 -2.547 1.00 12.21 C ATOM 1225 CG ASP A 79 8.194 1.450 -3.050 1.00 17.52 C ATOM 1226 OD1 ASP A 79 7.343 0.634 -3.364 1.00 21.87 O ATOM 1227 OD2 ASP A 79 9.395 1.242 -3.113 1.00 24.06 O ATOM 0 H ASP A 79 6.052 4.618 -1.495 1.00 10.05 H new ATOM 0 HA ASP A 79 6.388 1.631 -1.360 1.00 14.79 H new ATOM 0 HB2 ASP A 79 7.191 3.343 -3.337 1.00 12.21 H new ATOM 0 HB3 ASP A 79 8.587 3.431 -2.281 1.00 12.21 H new ATOM 1232 N ARG A 80 7.523 3.974 0.543 1.00 17.08 N ATOM 1233 CA ARG A 80 8.250 4.284 1.801 1.00 17.14 C ATOM 1234 C ARG A 80 8.023 5.760 2.090 1.00 14.98 C ATOM 1235 O ARG A 80 8.914 6.580 1.987 1.00 16.47 O ATOM 1236 CB ARG A 80 9.745 4.001 1.638 1.00 17.78 C ATOM 1237 CG ARG A 80 10.461 4.278 2.961 1.00 22.76 C ATOM 1238 CD ARG A 80 10.881 2.954 3.602 1.00 28.43 C ATOM 1239 NE ARG A 80 10.105 2.740 4.857 1.00 33.10 N ATOM 1240 CZ ARG A 80 10.078 1.561 5.419 1.00 30.84 C ATOM 1241 NH1 ARG A 80 10.736 0.565 4.889 1.00 33.12 N ATOM 1242 NH2 ARG A 80 9.393 1.379 6.514 1.00 35.04 N ATOM 0 H ARG A 80 6.944 4.737 0.193 1.00 17.08 H new ATOM 0 HA ARG A 80 7.887 3.664 2.621 1.00 17.14 H new ATOM 0 HB2 ARG A 80 9.900 2.965 1.338 1.00 17.78 H new ATOM 0 HB3 ARG A 80 10.161 4.627 0.848 1.00 17.78 H new ATOM 0 HG2 ARG A 80 11.336 4.904 2.789 1.00 22.76 H new ATOM 0 HG3 ARG A 80 9.803 4.828 3.634 1.00 22.76 H new ATOM 0 HD2 ARG A 80 10.706 2.131 2.909 1.00 28.43 H new ATOM 0 HD3 ARG A 80 11.949 2.966 3.820 1.00 28.43 H new ATOM 0 HE ARG A 80 9.594 3.516 5.278 1.00 33.10 H new ATOM 0 HH11 ARG A 80 11.273 0.706 4.034 1.00 33.12 H new ATOM 0 HH12 ARG A 80 10.713 -0.354 5.331 1.00 33.12 H new ATOM 0 HH21 ARG A 80 8.880 2.156 6.930 1.00 35.04 H new ATOM 0 HH22 ARG A 80 9.370 0.459 6.955 1.00 35.04 H new ATOM 1256 N LEU A 81 6.807 6.087 2.410 1.00 11.03 N ATOM 1257 CA LEU A 81 6.417 7.497 2.676 1.00 11.27 C ATOM 1258 C LEU A 81 7.575 8.291 3.293 1.00 15.61 C ATOM 1259 O LEU A 81 8.060 7.983 4.363 1.00 18.56 O ATOM 1260 CB LEU A 81 5.188 7.497 3.589 1.00 13.62 C ATOM 1261 CG LEU A 81 5.598 7.639 5.051 1.00 12.84 C ATOM 1262 CD1 LEU A 81 4.340 7.756 5.915 1.00 11.44 C ATOM 1263 CD2 LEU A 81 6.392 6.396 5.470 1.00 18.72 C ATOM 0 H LEU A 81 6.044 5.416 2.501 1.00 11.03 H new ATOM 0 HA LEU A 81 6.171 7.991 1.736 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.524 8.316 3.312 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.628 6.572 3.452 1.00 13.62 H new ATOM 0 HG LEU A 81 6.214 8.529 5.181 1.00 12.84 H new ATOM 0 HD11 LEU A 81 4.626 7.858 6.962 1.00 11.44 H new ATOM 0 HD12 LEU A 81 3.768 8.632 5.608 1.00 11.44 H new ATOM 0 HD13 LEU A 81 3.729 6.862 5.791 1.00 11.44 H new ATOM 0 HD21 LEU A 81 6.689 6.489 6.515 1.00 18.72 H new ATOM 0 HD22 LEU A 81 5.771 5.509 5.347 1.00 18.72 H new ATOM 0 HD23 LEU A 81 7.281 6.305 4.846 1.00 18.72 H new ATOM 1275 N ARG A 82 8.004 9.328 2.626 1.00 13.37 N ATOM 1276 CA ARG A 82 9.107 10.161 3.170 1.00 12.72 C ATOM 1277 C ARG A 82 8.485 11.257 4.029 1.00 13.33 C ATOM 1278 O ARG A 82 7.826 12.145 3.533 1.00 13.27 O ATOM 1279 CB ARG A 82 9.896 10.792 2.020 1.00 13.85 C ATOM 1280 CG ARG A 82 11.264 10.117 1.909 1.00 16.22 C ATOM 1281 CD ARG A 82 12.350 11.183 1.757 1.00 16.62 C ATOM 1282 NE ARG A 82 13.596 10.721 2.431 1.00 15.85 N ATOM 1283 CZ ARG A 82 14.734 11.314 2.185 1.00 17.96 C ATOM 1284 NH1 ARG A 82 14.786 12.316 1.349 1.00 20.55 N ATOM 1285 NH2 ARG A 82 15.822 10.903 2.777 1.00 16.89 N ATOM 0 H ARG A 82 7.635 9.633 1.725 1.00 13.37 H new ATOM 0 HA ARG A 82 9.787 9.550 3.764 1.00 12.72 H new ATOM 0 HB2 ARG A 82 9.347 10.682 1.085 1.00 13.85 H new ATOM 0 HB3 ARG A 82 10.019 11.861 2.193 1.00 13.85 H new ATOM 0 HG2 ARG A 82 11.455 9.512 2.795 1.00 16.22 H new ATOM 0 HG3 ARG A 82 11.280 9.442 1.053 1.00 16.22 H new ATOM 0 HD2 ARG A 82 12.544 11.372 0.701 1.00 16.62 H new ATOM 0 HD3 ARG A 82 12.015 12.124 2.194 1.00 16.62 H new ATOM 0 HE ARG A 82 13.560 9.940 3.086 1.00 15.85 H new ATOM 0 HH11 ARG A 82 13.936 12.638 0.886 1.00 20.55 H new ATOM 0 HH12 ARG A 82 15.676 12.776 1.160 1.00 20.55 H new ATOM 0 HH21 ARG A 82 15.783 10.120 3.430 1.00 16.89 H new ATOM 0 HH22 ARG A 82 16.712 11.364 2.587 1.00 16.89 H new ATOM 1299 N LEU A 83 8.657 11.189 5.313 1.00 13.53 N ATOM 1300 CA LEU A 83 8.039 12.221 6.190 1.00 13.86 C ATOM 1301 C LEU A 83 8.896 13.481 6.243 1.00 13.02 C ATOM 1302 O LEU A 83 10.110 13.433 6.237 1.00 14.40 O ATOM 1303 CB LEU A 83 7.878 11.677 7.604 1.00 9.93 C ATOM 1304 CG LEU A 83 6.435 11.865 8.069 1.00 8.07 C ATOM 1305 CD1 LEU A 83 6.359 11.632 9.579 1.00 8.88 C ATOM 1306 CD2 LEU A 83 5.981 13.290 7.748 1.00 10.58 C ATOM 0 H LEU A 83 9.195 10.469 5.795 1.00 13.53 H new ATOM 0 HA LEU A 83 7.064 12.472 5.772 1.00 13.86 H new ATOM 0 HB2 LEU A 83 8.143 10.620 7.629 1.00 9.93 H new ATOM 0 HB3 LEU A 83 8.558 12.193 8.282 1.00 9.93 H new ATOM 0 HG LEU A 83 5.787 11.154 7.557 1.00 8.07 H new ATOM 0 HD11 LEU A 83 5.331 11.765 9.916 1.00 8.88 H new ATOM 0 HD12 LEU A 83 6.688 10.618 9.808 1.00 8.88 H new ATOM 0 HD13 LEU A 83 7.004 12.347 10.090 1.00 8.88 H new ATOM 0 HD21 LEU A 83 4.951 13.427 8.079 1.00 10.58 H new ATOM 0 HD22 LEU A 83 6.626 14.002 8.263 1.00 10.58 H new ATOM 0 HD23 LEU A 83 6.042 13.458 6.673 1.00 10.58 H new ATOM 1318 N VAL A 84 8.253 14.610 6.305 1.00 11.81 N ATOM 1319 CA VAL A 84 8.974 15.899 6.372 1.00 12.86 C ATOM 1320 C VAL A 84 8.177 16.840 7.283 1.00 14.98 C ATOM 1321 O VAL A 84 6.998 16.638 7.484 1.00 13.59 O ATOM 1322 CB VAL A 84 9.051 16.479 4.959 1.00 14.61 C ATOM 1323 CG1 VAL A 84 9.537 15.399 3.991 1.00 17.65 C ATOM 1324 CG2 VAL A 84 7.662 16.963 4.529 1.00 17.34 C ATOM 0 H VAL A 84 7.236 14.691 6.312 1.00 11.81 H new ATOM 0 HA VAL A 84 9.982 15.771 6.767 1.00 12.86 H new ATOM 0 HB VAL A 84 9.747 17.318 4.948 1.00 14.61 H new ATOM 0 HG11 VAL A 84 9.592 15.811 2.984 1.00 17.65 H new ATOM 0 HG12 VAL A 84 10.525 15.054 4.297 1.00 17.65 H new ATOM 0 HG13 VAL A 84 8.841 14.560 4.002 1.00 17.65 H new ATOM 0 HG21 VAL A 84 7.716 17.376 3.522 1.00 17.34 H new ATOM 0 HG22 VAL A 84 6.965 16.125 4.540 1.00 17.34 H new ATOM 0 HG23 VAL A 84 7.315 17.732 5.219 1.00 17.34 H new ATOM 1334 N PRO A 85 8.828 17.849 7.794 1.00 18.65 N ATOM 1335 CA PRO A 85 8.178 18.840 8.668 1.00 22.41 C ATOM 1336 C PRO A 85 7.086 19.597 7.897 1.00 25.70 C ATOM 1337 O PRO A 85 7.188 19.802 6.704 1.00 22.08 O ATOM 1338 CB PRO A 85 9.327 19.744 9.119 1.00 21.19 C ATOM 1339 CG PRO A 85 10.453 19.532 8.093 1.00 18.95 C ATOM 1340 CD PRO A 85 10.251 18.110 7.541 1.00 20.63 C ATOM 0 HA PRO A 85 7.664 18.401 9.523 1.00 22.41 H new ATOM 0 HB2 PRO A 85 9.015 20.788 9.148 1.00 21.19 H new ATOM 0 HB3 PRO A 85 9.659 19.483 10.124 1.00 21.19 H new ATOM 0 HG2 PRO A 85 10.400 20.273 7.295 1.00 18.95 H new ATOM 0 HG3 PRO A 85 11.433 19.635 8.560 1.00 18.95 H new ATOM 0 HD2 PRO A 85 10.488 18.053 6.479 1.00 20.63 H new ATOM 0 HD3 PRO A 85 10.889 17.387 8.049 1.00 20.63 H new ATOM 1348 N ALA A 86 6.032 19.995 8.564 1.00 31.74 N ATOM 1349 CA ALA A 86 4.926 20.713 7.862 1.00 39.94 C ATOM 1350 C ALA A 86 5.362 22.146 7.552 1.00 46.96 C ATOM 1351 O ALA A 86 5.653 22.923 8.440 1.00 49.29 O ATOM 1352 CB ALA A 86 3.684 20.735 8.758 1.00 39.70 C ATOM 0 H ALA A 86 5.890 19.854 9.564 1.00 31.74 H new ATOM 0 HA ALA A 86 4.691 20.198 6.930 1.00 39.94 H new ATOM 0 HB1 ALA A 86 2.876 21.259 8.247 1.00 39.70 H new ATOM 0 HB2 ALA A 86 3.374 19.713 8.975 1.00 39.70 H new ATOM 0 HB3 ALA A 86 3.917 21.249 9.690 1.00 39.70 H new ATOM 1358 N LYS A 87 5.409 22.503 6.298 1.00 51.78 N ATOM 1359 CA LYS A 87 5.827 23.886 5.931 1.00 55.12 C ATOM 1360 C LYS A 87 4.842 24.463 4.912 1.00 55.82 C ATOM 1361 O LYS A 87 3.967 23.730 4.481 1.00 58.05 O ATOM 1362 CB LYS A 87 7.230 23.850 5.320 1.00 52.96 C ATOM 1363 CG LYS A 87 7.170 23.183 3.944 1.00 55.49 C ATOM 1364 CD LYS A 87 8.566 22.693 3.551 1.00 56.64 C ATOM 1365 CE LYS A 87 8.746 22.826 2.037 1.00 58.91 C ATOM 1366 NZ LYS A 87 8.839 21.470 1.426 1.00 58.16 N ATOM 1367 OXT LYS A 87 4.980 25.629 4.579 1.00 57.66 O ATOM 0 H LYS A 87 5.176 21.897 5.511 1.00 51.78 H new ATOM 0 HA LYS A 87 5.835 24.512 6.823 1.00 55.12 H new ATOM 0 HB2 LYS A 87 7.625 24.862 5.229 1.00 52.96 H new ATOM 0 HB3 LYS A 87 7.909 23.301 5.973 1.00 52.96 H new ATOM 0 HG2 LYS A 87 6.472 22.346 3.964 1.00 55.49 H new ATOM 0 HG3 LYS A 87 6.799 23.890 3.202 1.00 55.49 H new ATOM 0 HD2 LYS A 87 9.327 23.275 4.071 1.00 56.64 H new ATOM 0 HD3 LYS A 87 8.697 21.654 3.854 1.00 56.64 H new ATOM 0 HE2 LYS A 87 7.907 23.373 1.607 1.00 58.91 H new ATOM 0 HE3 LYS A 87 9.647 23.399 1.816 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 8.961 21.560 0.397 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 9.653 20.963 1.828 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 7.967 20.939 1.626 1.00 58.16 H new TER 1381 LYS A 87 ATOM 1382 N MET B 1 2.090 16.894 -2.915 1.00 42.32 N ATOM 1383 CA MET B 1 0.624 16.623 -2.914 1.00 40.89 C ATOM 1384 C MET B 1 0.299 15.588 -3.991 1.00 34.75 C ATOM 1385 O MET B 1 -0.826 15.480 -4.438 1.00 33.97 O ATOM 1386 CB MET B 1 -0.137 17.926 -3.208 1.00 48.45 C ATOM 1387 CG MET B 1 -0.108 18.228 -4.713 1.00 56.13 C ATOM 1388 SD MET B 1 0.452 19.929 -4.975 1.00 64.91 S ATOM 1389 CE MET B 1 2.092 19.527 -5.628 1.00 63.43 C ATOM 0 H1 MET B 1 2.290 17.724 -2.321 1.00 42.32 H new ATOM 0 H2 MET B 1 2.596 16.068 -2.538 1.00 42.32 H new ATOM 0 H3 MET B 1 2.408 17.080 -3.888 1.00 42.32 H new ATOM 0 HA MET B 1 0.324 16.240 -1.939 1.00 40.89 H new ATOM 0 HB2 MET B 1 -1.169 17.838 -2.867 1.00 48.45 H new ATOM 0 HB3 MET B 1 0.312 18.751 -2.655 1.00 48.45 H new ATOM 0 HG2 MET B 1 0.559 17.532 -5.222 1.00 56.13 H new ATOM 0 HG3 MET B 1 -1.101 18.090 -5.142 1.00 56.13 H new ATOM 0 HE1 MET B 1 2.368 20.255 -6.391 1.00 63.43 H new ATOM 0 HE2 MET B 1 2.822 19.554 -4.819 1.00 63.43 H new ATOM 0 HE3 MET B 1 2.074 18.530 -6.068 1.00 63.43 H new ATOM 1401 N ILE B 2 1.272 14.840 -4.430 1.00 28.59 N ATOM 1402 CA ILE B 2 0.997 13.839 -5.493 1.00 24.58 C ATOM 1403 C ILE B 2 0.256 14.549 -6.622 1.00 19.29 C ATOM 1404 O ILE B 2 -0.951 14.468 -6.740 1.00 19.53 O ATOM 1405 CB ILE B 2 0.134 12.711 -4.932 1.00 25.10 C ATOM 1406 CG1 ILE B 2 0.618 12.337 -3.532 1.00 28.92 C ATOM 1407 CG2 ILE B 2 0.243 11.487 -5.836 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.579 12.278 -2.594 1.00 33.80 C ATOM 0 H ILE B 2 2.237 14.879 -4.101 1.00 28.59 H new ATOM 0 HA ILE B 2 1.928 13.408 -5.862 1.00 24.58 H new ATOM 0 HB ILE B 2 -0.902 13.046 -4.885 1.00 25.10 H new ATOM 0 HG12 ILE B 2 1.127 11.373 -3.554 1.00 28.92 H new ATOM 0 HG13 ILE B 2 1.341 13.071 -3.175 1.00 28.92 H new ATOM 0 HG21 ILE B 2 -0.373 10.682 -5.435 1.00 23.06 H new ATOM 0 HG22 ILE B 2 -0.101 11.743 -6.838 1.00 23.06 H new ATOM 0 HG23 ILE B 2 1.282 11.160 -5.882 1.00 23.06 H new ATOM 0 HD11 ILE B 2 -0.243 12.012 -1.592 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -1.068 13.252 -2.566 1.00 33.80 H new ATOM 0 HD13 ILE B 2 -1.285 11.528 -2.951 1.00 33.80 H new ATOM 1420 N LYS B 3 0.973 15.270 -7.434 1.00 18.14 N ATOM 1421 CA LYS B 3 0.324 16.025 -8.542 1.00 16.66 C ATOM 1422 C LYS B 3 -0.170 15.070 -9.623 1.00 14.94 C ATOM 1423 O LYS B 3 0.316 13.966 -9.771 1.00 13.94 O ATOM 1424 CB LYS B 3 1.329 17.006 -9.148 1.00 16.94 C ATOM 1425 CG LYS B 3 1.022 18.421 -8.655 1.00 17.85 C ATOM 1426 CD LYS B 3 0.275 19.193 -9.745 1.00 19.63 C ATOM 1427 CE LYS B 3 -0.117 20.574 -9.216 1.00 26.28 C ATOM 1428 NZ LYS B 3 0.897 21.577 -9.647 1.00 32.72 N ATOM 0 H LYS B 3 1.987 15.370 -7.379 1.00 18.14 H new ATOM 0 HA LYS B 3 -0.530 16.571 -8.141 1.00 16.66 H new ATOM 0 HB2 LYS B 3 2.344 16.724 -8.867 1.00 16.94 H new ATOM 0 HB3 LYS B 3 1.278 16.970 -10.236 1.00 16.94 H new ATOM 0 HG2 LYS B 3 0.420 18.378 -7.748 1.00 17.85 H new ATOM 0 HG3 LYS B 3 1.948 18.937 -8.399 1.00 17.85 H new ATOM 0 HD2 LYS B 3 0.905 19.296 -10.629 1.00 19.63 H new ATOM 0 HD3 LYS B 3 -0.615 18.643 -10.050 1.00 19.63 H new ATOM 0 HE2 LYS B 3 -1.102 20.853 -9.591 1.00 26.28 H new ATOM 0 HE3 LYS B 3 -0.184 20.553 -8.128 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 0.631 22.516 -9.288 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 1.829 21.313 -9.269 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 0.940 21.603 -10.686 1.00 32.72 H new ATOM 1442 N VAL B 4 -1.141 15.498 -10.381 1.00 12.42 N ATOM 1443 CA VAL B 4 -1.687 14.635 -11.460 1.00 12.99 C ATOM 1444 C VAL B 4 -2.535 15.490 -12.413 1.00 14.26 C ATOM 1445 O VAL B 4 -2.888 16.613 -12.116 1.00 13.80 O ATOM 1446 CB VAL B 4 -2.529 13.497 -10.832 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -3.056 13.924 -9.462 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -3.712 13.130 -11.741 1.00 10.41 C ATOM 0 H VAL B 4 -1.581 16.414 -10.297 1.00 12.42 H new ATOM 0 HA VAL B 4 -0.874 14.185 -12.030 1.00 12.99 H new ATOM 0 HB VAL B 4 -1.886 12.624 -10.718 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -3.646 13.115 -9.031 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -2.217 14.151 -8.804 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -3.681 14.810 -9.573 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -4.290 12.329 -11.280 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -4.349 14.003 -11.879 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -3.337 12.797 -12.709 1.00 10.41 H new ATOM 1458 N GLU B 5 -2.852 14.957 -13.561 1.00 9.27 N ATOM 1459 CA GLU B 5 -3.667 15.711 -14.557 1.00 10.51 C ATOM 1460 C GLU B 5 -4.690 14.774 -15.184 1.00 10.00 C ATOM 1461 O GLU B 5 -4.351 13.814 -15.845 1.00 10.96 O ATOM 1462 CB GLU B 5 -2.752 16.262 -15.650 1.00 10.42 C ATOM 1463 CG GLU B 5 -2.198 17.616 -15.212 1.00 18.68 C ATOM 1464 CD GLU B 5 -1.440 18.260 -16.374 1.00 18.63 C ATOM 1465 OE1 GLU B 5 -0.458 17.682 -16.809 1.00 19.38 O ATOM 1466 OE2 GLU B 5 -1.855 19.321 -16.810 1.00 22.12 O ATOM 0 H GLU B 5 -2.578 14.020 -13.855 1.00 9.27 H new ATOM 0 HA GLU B 5 -4.179 16.534 -14.060 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -1.935 15.566 -15.840 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -3.305 16.367 -16.584 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -3.011 18.266 -14.890 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -1.534 17.489 -14.357 1.00 18.68 H new ATOM 1473 N ILE B 6 -5.943 15.046 -14.985 1.00 9.86 N ATOM 1474 CA ILE B 6 -6.987 14.171 -15.577 1.00 10.60 C ATOM 1475 C ILE B 6 -7.122 14.504 -17.069 1.00 10.16 C ATOM 1476 O ILE B 6 -7.787 15.448 -17.445 1.00 11.64 O ATOM 1477 CB ILE B 6 -8.308 14.414 -14.845 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -8.116 14.092 -13.362 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -9.399 13.517 -15.429 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -8.024 12.580 -13.171 1.00 13.81 C ATOM 0 H ILE B 6 -6.291 15.834 -14.439 1.00 9.86 H new ATOM 0 HA ILE B 6 -6.716 13.120 -15.473 1.00 10.60 H new ATOM 0 HB ILE B 6 -8.608 15.455 -14.964 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -7.210 14.571 -12.990 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -8.948 14.491 -12.783 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -10.337 13.695 -14.903 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -9.528 13.743 -16.487 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -9.111 12.472 -15.314 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -7.887 12.355 -12.113 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -8.942 12.112 -13.526 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -7.177 12.193 -13.737 1.00 13.81 H new ATOM 1492 N LYS B 7 -6.477 13.744 -17.925 1.00 11.63 N ATOM 1493 CA LYS B 7 -6.549 14.028 -19.384 1.00 11.59 C ATOM 1494 C LYS B 7 -8.002 14.271 -19.803 1.00 12.98 C ATOM 1495 O LYS B 7 -8.920 13.899 -19.099 1.00 9.79 O ATOM 1496 CB LYS B 7 -5.978 12.833 -20.149 1.00 12.52 C ATOM 1497 CG LYS B 7 -4.505 13.089 -20.485 1.00 14.26 C ATOM 1498 CD LYS B 7 -3.753 13.572 -19.240 1.00 15.70 C ATOM 1499 CE LYS B 7 -2.495 14.329 -19.669 1.00 19.19 C ATOM 1500 NZ LYS B 7 -2.771 15.794 -19.658 1.00 25.43 N ATOM 0 H LYS B 7 -5.905 12.939 -17.669 1.00 11.63 H new ATOM 0 HA LYS B 7 -5.969 14.923 -19.611 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -6.072 11.927 -19.550 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -6.547 12.670 -21.065 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -4.047 12.175 -20.863 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -4.429 13.835 -21.276 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -4.395 14.220 -18.642 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -3.484 12.723 -18.612 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -1.670 14.098 -18.995 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -2.189 14.013 -20.666 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -2.006 16.295 -20.152 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -3.674 15.981 -20.139 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -2.826 16.129 -18.675 1.00 25.43 H new ATOM 1514 N PRO B 8 -8.162 14.896 -20.944 1.00 13.56 N ATOM 1515 CA PRO B 8 -9.489 15.215 -21.496 1.00 11.93 C ATOM 1516 C PRO B 8 -10.119 13.966 -22.107 1.00 10.20 C ATOM 1517 O PRO B 8 -11.323 13.806 -22.126 1.00 12.05 O ATOM 1518 CB PRO B 8 -9.191 16.266 -22.570 1.00 12.78 C ATOM 1519 CG PRO B 8 -7.705 16.080 -22.960 1.00 12.51 C ATOM 1520 CD PRO B 8 -7.033 15.339 -21.789 1.00 13.61 C ATOM 0 HA PRO B 8 -10.194 15.575 -20.747 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -9.840 16.132 -23.436 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -9.370 17.272 -22.190 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -7.615 15.508 -23.883 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -7.227 17.044 -23.135 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -6.442 14.493 -22.140 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -6.357 15.994 -21.239 1.00 13.61 H new ATOM 1528 N SER B 9 -9.309 13.075 -22.596 1.00 10.65 N ATOM 1529 CA SER B 9 -9.851 11.826 -23.196 1.00 10.83 C ATOM 1530 C SER B 9 -10.171 10.833 -22.078 1.00 10.94 C ATOM 1531 O SER B 9 -10.643 9.740 -22.320 1.00 13.16 O ATOM 1532 CB SER B 9 -8.813 11.219 -24.142 1.00 13.01 C ATOM 1533 OG SER B 9 -7.534 11.762 -23.844 1.00 15.52 O ATOM 0 H SER B 9 -8.292 13.156 -22.607 1.00 10.65 H new ATOM 0 HA SER B 9 -10.758 12.051 -23.757 1.00 10.83 H new ATOM 0 HB2 SER B 9 -8.795 10.135 -24.034 1.00 13.01 H new ATOM 0 HB3 SER B 9 -9.079 11.431 -25.177 1.00 13.01 H new ATOM 0 HG SER B 9 -7.291 11.538 -22.921 1.00 15.52 H new ATOM 1539 N GLN B 10 -9.914 11.205 -20.854 1.00 10.02 N ATOM 1540 CA GLN B 10 -10.201 10.286 -19.718 1.00 11.55 C ATOM 1541 C GLN B 10 -11.006 11.028 -18.644 1.00 13.72 C ATOM 1542 O GLN B 10 -10.922 10.723 -17.471 1.00 17.31 O ATOM 1543 CB GLN B 10 -8.880 9.782 -19.131 1.00 6.60 C ATOM 1544 CG GLN B 10 -8.270 10.864 -18.252 1.00 7.20 C ATOM 1545 CD GLN B 10 -6.833 10.486 -17.891 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -6.155 9.828 -18.655 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -6.336 10.877 -16.751 1.00 4.80 N ATOM 0 H GLN B 10 -9.517 12.107 -20.592 1.00 10.02 H new ATOM 0 HA GLN B 10 -10.785 9.436 -20.071 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -9.051 8.878 -18.547 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -8.190 9.518 -19.933 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -8.284 11.821 -18.774 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -8.863 10.986 -17.345 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -6.905 11.429 -16.109 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -5.378 10.631 -16.501 1.00 4.80 H new ATOM 1556 N ALA B 11 -11.784 12.001 -19.034 1.00 15.28 N ATOM 1557 CA ALA B 11 -12.585 12.763 -18.032 1.00 18.95 C ATOM 1558 C ALA B 11 -13.901 12.034 -17.748 1.00 20.75 C ATOM 1559 O ALA B 11 -14.827 12.601 -17.203 1.00 24.78 O ATOM 1560 CB ALA B 11 -12.885 14.160 -18.578 1.00 17.72 C ATOM 0 H ALA B 11 -11.900 12.301 -20.002 1.00 15.28 H new ATOM 0 HA ALA B 11 -12.015 12.844 -17.106 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -13.470 14.718 -17.847 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -11.949 14.684 -18.770 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -13.450 14.074 -19.506 1.00 17.72 H new ATOM 1566 N GLN B 12 -13.996 10.785 -18.111 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.251 10.031 -17.858 1.00 25.43 C ATOM 1568 C GLN B 12 -14.891 8.618 -17.376 1.00 22.80 C ATOM 1569 O GLN B 12 -13.919 8.033 -17.812 1.00 20.93 O ATOM 1570 CB GLN B 12 -16.065 9.977 -19.164 1.00 30.18 C ATOM 1571 CG GLN B 12 -16.770 8.626 -19.303 1.00 42.11 C ATOM 1572 CD GLN B 12 -18.032 8.788 -20.152 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -18.082 8.339 -21.279 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -19.062 9.417 -19.654 1.00 47.90 N ATOM 0 H GLN B 12 -13.257 10.255 -18.572 1.00 22.50 H new ATOM 0 HA GLN B 12 -15.851 10.519 -17.090 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -16.802 10.780 -19.173 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -15.406 10.139 -20.017 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -16.100 7.901 -19.765 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -17.030 8.238 -18.318 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -19.020 9.794 -18.707 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -19.908 9.531 -20.212 1.00 47.90 H new ATOM 1583 N PHE B 13 -15.666 8.067 -16.481 1.00 21.61 N ATOM 1584 CA PHE B 13 -15.369 6.704 -15.977 1.00 20.51 C ATOM 1585 C PHE B 13 -16.015 5.666 -16.888 1.00 18.83 C ATOM 1586 O PHE B 13 -16.705 5.991 -17.834 1.00 18.83 O ATOM 1587 CB PHE B 13 -15.965 6.563 -14.586 1.00 19.56 C ATOM 1588 CG PHE B 13 -17.411 7.003 -14.649 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -18.363 6.178 -15.256 1.00 20.50 C ATOM 1590 CD2 PHE B 13 -17.796 8.239 -14.112 1.00 15.55 C ATOM 1591 CE1 PHE B 13 -19.700 6.584 -15.324 1.00 20.75 C ATOM 1592 CE2 PHE B 13 -19.132 8.645 -14.182 1.00 14.07 C ATOM 1593 CZ PHE B 13 -20.083 7.818 -14.787 1.00 18.48 C ATOM 0 H PHE B 13 -16.494 8.507 -16.079 1.00 21.61 H new ATOM 0 HA PHE B 13 -14.290 6.550 -15.954 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -15.896 5.530 -14.245 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -15.412 7.173 -13.871 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -18.066 5.227 -15.673 1.00 20.50 H new ATOM 0 HD2 PHE B 13 -17.061 8.877 -13.644 1.00 15.55 H new ATOM 0 HE1 PHE B 13 -20.436 5.946 -15.790 1.00 20.75 H new ATOM 0 HE2 PHE B 13 -19.429 9.597 -13.769 1.00 14.07 H new ATOM 0 HZ PHE B 13 -21.115 8.132 -14.840 1.00 18.48 H new ATOM 1603 N THR B 14 -15.813 4.416 -16.591 1.00 14.89 N ATOM 1604 CA THR B 14 -16.431 3.345 -17.413 1.00 13.37 C ATOM 1605 C THR B 14 -17.089 2.332 -16.479 1.00 11.97 C ATOM 1606 O THR B 14 -16.812 2.296 -15.297 1.00 10.76 O ATOM 1607 CB THR B 14 -15.361 2.648 -18.255 1.00 13.68 C ATOM 1608 OG1 THR B 14 -15.966 1.627 -19.036 1.00 13.48 O ATOM 1609 CG2 THR B 14 -14.307 2.033 -17.334 1.00 9.24 C ATOM 0 H THR B 14 -15.244 4.089 -15.810 1.00 14.89 H new ATOM 0 HA THR B 14 -17.176 3.777 -18.081 1.00 13.37 H new ATOM 0 HB THR B 14 -14.885 3.374 -18.914 1.00 13.68 H new ATOM 0 HG1 THR B 14 -15.282 1.181 -19.577 1.00 13.48 H new ATOM 0 HG21 THR B 14 -13.545 1.536 -17.934 1.00 9.24 H new ATOM 0 HG22 THR B 14 -13.844 2.818 -16.736 1.00 9.24 H new ATOM 0 HG23 THR B 14 -14.780 1.306 -16.674 1.00 9.24 H new ATOM 1617 N THR B 15 -17.959 1.513 -16.991 1.00 13.20 N ATOM 1618 CA THR B 15 -18.633 0.512 -16.119 1.00 12.54 C ATOM 1619 C THR B 15 -17.913 -0.833 -16.231 1.00 14.34 C ATOM 1620 O THR B 15 -17.256 -1.118 -17.212 1.00 17.35 O ATOM 1621 CB THR B 15 -20.090 0.348 -16.559 1.00 11.88 C ATOM 1622 OG1 THR B 15 -20.431 1.392 -17.460 1.00 17.15 O ATOM 1623 CG2 THR B 15 -21.004 0.409 -15.335 1.00 8.30 C ATOM 0 H THR B 15 -18.234 1.491 -17.973 1.00 13.20 H new ATOM 0 HA THR B 15 -18.602 0.855 -15.085 1.00 12.54 H new ATOM 0 HB THR B 15 -20.214 -0.615 -17.054 1.00 11.88 H new ATOM 0 HG1 THR B 15 -21.363 1.288 -17.744 1.00 17.15 H new ATOM 0 HG21 THR B 15 -22.041 0.292 -15.649 1.00 8.30 H new ATOM 0 HG22 THR B 15 -20.742 -0.393 -14.645 1.00 8.30 H new ATOM 0 HG23 THR B 15 -20.882 1.371 -14.837 1.00 8.30 H new ATOM 1631 N ARG B 16 -18.033 -1.663 -15.231 1.00 15.28 N ATOM 1632 CA ARG B 16 -17.357 -2.989 -15.277 1.00 15.21 C ATOM 1633 C ARG B 16 -17.696 -3.777 -14.011 1.00 16.91 C ATOM 1634 O ARG B 16 -17.621 -3.265 -12.911 1.00 17.29 O ATOM 1635 CB ARG B 16 -15.844 -2.788 -15.363 1.00 15.77 C ATOM 1636 CG ARG B 16 -15.350 -3.219 -16.745 1.00 21.61 C ATOM 1637 CD ARG B 16 -15.254 -4.744 -16.800 1.00 24.15 C ATOM 1638 NE ARG B 16 -14.167 -5.142 -17.738 1.00 30.82 N ATOM 1639 CZ ARG B 16 -13.704 -6.363 -17.726 1.00 29.13 C ATOM 1640 NH1 ARG B 16 -14.187 -7.240 -16.888 1.00 34.38 N ATOM 1641 NH2 ARG B 16 -12.755 -6.707 -18.553 1.00 25.71 N ATOM 0 H ARG B 16 -18.571 -1.479 -14.384 1.00 15.28 H new ATOM 0 HA ARG B 16 -17.699 -3.541 -16.152 1.00 15.21 H new ATOM 0 HB2 ARG B 16 -15.595 -1.742 -15.186 1.00 15.77 H new ATOM 0 HB3 ARG B 16 -15.344 -3.370 -14.589 1.00 15.77 H new ATOM 0 HG2 ARG B 16 -16.032 -2.859 -17.515 1.00 21.61 H new ATOM 0 HG3 ARG B 16 -14.376 -2.775 -16.949 1.00 21.61 H new ATOM 0 HD2 ARG B 16 -15.054 -5.142 -15.805 1.00 24.15 H new ATOM 0 HD3 ARG B 16 -16.204 -5.167 -17.127 1.00 24.15 H new ATOM 0 HE ARG B 16 -13.783 -4.459 -18.391 1.00 30.82 H new ATOM 0 HH11 ARG B 16 -14.928 -6.972 -16.240 1.00 34.38 H new ATOM 0 HH12 ARG B 16 -13.823 -8.193 -16.881 1.00 34.38 H new ATOM 0 HH21 ARG B 16 -12.376 -6.023 -19.207 1.00 25.71 H new ATOM 0 HH22 ARG B 16 -12.392 -7.660 -18.545 1.00 25.71 H new ATOM 1655 N SER B 17 -18.071 -5.019 -14.156 1.00 22.35 N ATOM 1656 CA SER B 17 -18.415 -5.840 -12.961 1.00 28.62 C ATOM 1657 C SER B 17 -17.379 -5.599 -11.861 1.00 31.32 C ATOM 1658 O SER B 17 -16.240 -5.270 -12.129 1.00 33.90 O ATOM 1659 CB SER B 17 -18.418 -7.323 -13.342 1.00 30.78 C ATOM 1660 OG SER B 17 -18.019 -8.097 -12.219 1.00 38.77 O ATOM 0 H SER B 17 -18.154 -5.501 -15.051 1.00 22.35 H new ATOM 0 HA SER B 17 -19.403 -5.556 -12.599 1.00 28.62 H new ATOM 0 HB2 SER B 17 -19.413 -7.624 -13.671 1.00 30.78 H new ATOM 0 HB3 SER B 17 -17.740 -7.497 -14.178 1.00 30.78 H new ATOM 0 HG SER B 17 -18.021 -9.047 -12.459 1.00 38.77 H new ATOM 1666 N GLY B 18 -17.766 -5.759 -10.626 1.00 32.28 N ATOM 1667 CA GLY B 18 -16.805 -5.537 -9.509 1.00 32.82 C ATOM 1668 C GLY B 18 -17.362 -6.144 -8.222 1.00 34.58 C ATOM 1669 O GLY B 18 -18.501 -5.929 -7.870 1.00 34.04 O ATOM 0 H GLY B 18 -18.706 -6.034 -10.342 1.00 32.28 H new ATOM 0 HA2 GLY B 18 -15.843 -5.989 -9.749 1.00 32.82 H new ATOM 0 HA3 GLY B 18 -16.631 -4.470 -9.373 1.00 32.82 H new ATOM 1673 N VAL B 19 -16.567 -6.895 -7.512 1.00 36.31 N ATOM 1674 CA VAL B 19 -17.057 -7.502 -6.246 1.00 38.94 C ATOM 1675 C VAL B 19 -16.486 -6.712 -5.070 1.00 39.44 C ATOM 1676 O VAL B 19 -15.291 -6.516 -4.961 1.00 39.08 O ATOM 1677 CB VAL B 19 -16.602 -8.961 -6.159 1.00 39.83 C ATOM 1678 CG1 VAL B 19 -17.577 -9.751 -5.282 1.00 41.87 C ATOM 1679 CG2 VAL B 19 -16.570 -9.569 -7.564 1.00 39.95 C ATOM 0 H VAL B 19 -15.601 -7.114 -7.754 1.00 36.31 H new ATOM 0 HA VAL B 19 -18.146 -7.472 -6.219 1.00 38.94 H new ATOM 0 HB VAL B 19 -15.605 -9.005 -5.721 1.00 39.83 H new ATOM 0 HG11 VAL B 19 -17.252 -10.790 -5.221 1.00 41.87 H new ATOM 0 HG12 VAL B 19 -17.599 -9.318 -4.282 1.00 41.87 H new ATOM 0 HG13 VAL B 19 -18.575 -9.708 -5.718 1.00 41.87 H new ATOM 0 HG21 VAL B 19 -16.246 -10.608 -7.504 1.00 39.95 H new ATOM 0 HG22 VAL B 19 -17.567 -9.525 -8.002 1.00 39.95 H new ATOM 0 HG23 VAL B 19 -15.874 -9.008 -8.188 1.00 39.95 H new ATOM 1689 N SER B 20 -17.331 -6.242 -4.201 1.00 41.09 N ATOM 1690 CA SER B 20 -16.847 -5.445 -3.042 1.00 44.70 C ATOM 1691 C SER B 20 -15.989 -6.326 -2.133 1.00 47.21 C ATOM 1692 O SER B 20 -15.536 -7.384 -2.522 1.00 47.07 O ATOM 1693 CB SER B 20 -18.044 -4.915 -2.253 1.00 44.37 C ATOM 1694 OG SER B 20 -18.012 -3.494 -2.250 1.00 46.57 O ATOM 0 H SER B 20 -18.341 -6.376 -4.243 1.00 41.09 H new ATOM 0 HA SER B 20 -16.249 -4.609 -3.404 1.00 44.70 H new ATOM 0 HB2 SER B 20 -18.974 -5.268 -2.699 1.00 44.37 H new ATOM 0 HB3 SER B 20 -18.017 -5.293 -1.231 1.00 44.37 H new ATOM 0 HG SER B 20 -18.779 -3.151 -1.746 1.00 46.57 H new ATOM 1700 N ARG B 21 -15.767 -5.899 -0.920 1.00 50.78 N ATOM 1701 CA ARG B 21 -14.943 -6.716 0.016 1.00 55.55 C ATOM 1702 C ARG B 21 -15.866 -7.501 0.950 1.00 55.58 C ATOM 1703 O ARG B 21 -15.451 -7.991 1.981 1.00 54.47 O ATOM 1704 CB ARG B 21 -14.031 -5.807 0.843 1.00 59.49 C ATOM 1705 CG ARG B 21 -12.920 -6.644 1.482 1.00 60.53 C ATOM 1706 CD ARG B 21 -13.177 -6.776 2.984 1.00 64.36 C ATOM 1707 NE ARG B 21 -13.231 -8.219 3.355 1.00 68.68 N ATOM 1708 CZ ARG B 21 -13.141 -8.579 4.607 1.00 71.11 C ATOM 1709 NH1 ARG B 21 -13.003 -7.677 5.542 1.00 70.71 N ATOM 1710 NH2 ARG B 21 -13.190 -9.844 4.925 1.00 71.56 N ATOM 0 H ARG B 21 -16.120 -5.022 -0.537 1.00 50.78 H new ATOM 0 HA ARG B 21 -14.327 -7.407 -0.559 1.00 55.55 H new ATOM 0 HB2 ARG B 21 -13.599 -5.033 0.209 1.00 59.49 H new ATOM 0 HB3 ARG B 21 -14.609 -5.300 1.616 1.00 59.49 H new ATOM 0 HG2 ARG B 21 -12.883 -7.631 1.021 1.00 60.53 H new ATOM 0 HG3 ARG B 21 -11.952 -6.175 1.308 1.00 60.53 H new ATOM 0 HD2 ARG B 21 -12.387 -6.275 3.544 1.00 64.36 H new ATOM 0 HD3 ARG B 21 -14.115 -6.287 3.248 1.00 64.36 H new ATOM 0 HE ARG B 21 -13.339 -8.927 2.629 1.00 68.68 H new ATOM 0 HH11 ARG B 21 -12.965 -6.688 5.295 1.00 70.71 H new ATOM 0 HH12 ARG B 21 -12.933 -7.962 6.519 1.00 70.71 H new ATOM 0 HH21 ARG B 21 -13.298 -10.549 4.196 1.00 71.56 H new ATOM 0 HH22 ARG B 21 -13.120 -10.127 5.902 1.00 71.56 H new ATOM 1724 N GLN B 22 -17.116 -7.628 0.593 1.00 57.32 N ATOM 1725 CA GLN B 22 -18.063 -8.385 1.458 1.00 58.73 C ATOM 1726 C GLN B 22 -18.541 -9.635 0.720 1.00 58.18 C ATOM 1727 O GLN B 22 -19.357 -10.387 1.215 1.00 59.52 O ATOM 1728 CB GLN B 22 -19.265 -7.502 1.801 1.00 62.32 C ATOM 1729 CG GLN B 22 -18.910 -6.590 2.977 1.00 65.12 C ATOM 1730 CD GLN B 22 -20.109 -6.480 3.920 1.00 66.38 C ATOM 1731 OE1 GLN B 22 -19.948 -6.424 5.123 1.00 66.60 O ATOM 1732 NE2 GLN B 22 -21.315 -6.449 3.421 1.00 65.96 N ATOM 0 H GLN B 22 -17.521 -7.240 -0.259 1.00 57.32 H new ATOM 0 HA GLN B 22 -17.557 -8.678 2.378 1.00 58.73 H new ATOM 0 HB2 GLN B 22 -19.548 -6.903 0.935 1.00 62.32 H new ATOM 0 HB3 GLN B 22 -20.125 -8.122 2.055 1.00 62.32 H new ATOM 0 HG2 GLN B 22 -18.048 -6.989 3.513 1.00 65.12 H new ATOM 0 HG3 GLN B 22 -18.629 -5.602 2.612 1.00 65.12 H new ATOM 0 HE21 GLN B 22 -21.450 -6.496 2.411 1.00 65.96 H new ATOM 0 HE22 GLN B 22 -22.122 -6.378 4.041 1.00 65.96 H new ATOM 1741 N GLY B 23 -18.037 -9.864 -0.460 1.00 55.49 N ATOM 1742 CA GLY B 23 -18.459 -11.068 -1.230 1.00 50.89 C ATOM 1743 C GLY B 23 -19.679 -10.729 -2.086 1.00 48.17 C ATOM 1744 O GLY B 23 -20.288 -11.594 -2.684 1.00 50.32 O ATOM 0 H GLY B 23 -17.351 -9.270 -0.925 1.00 55.49 H new ATOM 0 HA2 GLY B 23 -17.642 -11.411 -1.864 1.00 50.89 H new ATOM 0 HA3 GLY B 23 -18.697 -11.884 -0.547 1.00 50.89 H new ATOM 1748 N LYS B 24 -20.043 -9.478 -2.152 1.00 44.99 N ATOM 1749 CA LYS B 24 -21.224 -9.091 -2.973 1.00 42.22 C ATOM 1750 C LYS B 24 -20.746 -8.491 -4.300 1.00 42.41 C ATOM 1751 O LYS B 24 -19.735 -7.819 -4.343 1.00 42.26 O ATOM 1752 CB LYS B 24 -22.056 -8.056 -2.212 1.00 40.33 C ATOM 1753 CG LYS B 24 -21.240 -6.774 -2.034 1.00 40.86 C ATOM 1754 CD LYS B 24 -21.666 -6.073 -0.742 1.00 37.00 C ATOM 1755 CE LYS B 24 -21.015 -4.691 -0.672 1.00 36.58 C ATOM 1756 NZ LYS B 24 -21.156 -4.146 0.708 1.00 34.22 N ATOM 0 H LYS B 24 -19.574 -8.708 -1.674 1.00 44.99 H new ATOM 0 HA LYS B 24 -21.835 -9.971 -3.172 1.00 42.22 H new ATOM 0 HB2 LYS B 24 -22.975 -7.841 -2.757 1.00 40.33 H new ATOM 0 HB3 LYS B 24 -22.347 -8.452 -1.239 1.00 40.33 H new ATOM 0 HG2 LYS B 24 -20.176 -7.009 -1.999 1.00 40.86 H new ATOM 0 HG3 LYS B 24 -21.392 -6.112 -2.887 1.00 40.86 H new ATOM 0 HD2 LYS B 24 -22.751 -5.977 -0.709 1.00 37.00 H new ATOM 0 HD3 LYS B 24 -21.372 -6.669 0.122 1.00 37.00 H new ATOM 0 HE2 LYS B 24 -19.961 -4.759 -0.942 1.00 36.58 H new ATOM 0 HE3 LYS B 24 -21.485 -4.019 -1.390 1.00 36.58 H new ATOM 0 HZ1 LYS B 24 -20.714 -3.206 0.757 1.00 34.22 H new ATOM 0 HZ2 LYS B 24 -22.165 -4.067 0.949 1.00 34.22 H new ATOM 0 HZ3 LYS B 24 -20.688 -4.784 1.383 1.00 34.22 H new ATOM 1770 N PRO B 25 -21.487 -8.755 -5.347 1.00 42.36 N ATOM 1771 CA PRO B 25 -21.162 -8.257 -6.693 1.00 40.32 C ATOM 1772 C PRO B 25 -21.568 -6.788 -6.836 1.00 36.91 C ATOM 1773 O PRO B 25 -22.494 -6.326 -6.201 1.00 36.63 O ATOM 1774 CB PRO B 25 -21.994 -9.142 -7.618 1.00 42.73 C ATOM 1775 CG PRO B 25 -23.150 -9.696 -6.760 1.00 43.71 C ATOM 1776 CD PRO B 25 -22.714 -9.572 -5.289 1.00 44.10 C ATOM 0 HA PRO B 25 -20.096 -8.300 -6.916 1.00 40.32 H new ATOM 0 HB2 PRO B 25 -22.376 -8.570 -8.463 1.00 42.73 H new ATOM 0 HB3 PRO B 25 -21.391 -9.952 -8.028 1.00 42.73 H new ATOM 0 HG2 PRO B 25 -24.067 -9.135 -6.939 1.00 43.71 H new ATOM 0 HG3 PRO B 25 -23.357 -10.735 -7.015 1.00 43.71 H new ATOM 0 HD2 PRO B 25 -23.484 -9.093 -4.684 1.00 44.10 H new ATOM 0 HD3 PRO B 25 -22.522 -10.549 -4.846 1.00 44.10 H new ATOM 1784 N TYR B 26 -20.885 -6.051 -7.669 1.00 32.09 N ATOM 1785 CA TYR B 26 -21.238 -4.616 -7.852 1.00 27.86 C ATOM 1786 C TYR B 26 -20.709 -4.117 -9.196 1.00 26.29 C ATOM 1787 O TYR B 26 -19.744 -4.629 -9.728 1.00 28.07 O ATOM 1788 CB TYR B 26 -20.635 -3.775 -6.710 1.00 23.99 C ATOM 1789 CG TYR B 26 -19.138 -3.581 -6.900 1.00 24.09 C ATOM 1790 CD1 TYR B 26 -18.655 -2.794 -7.952 1.00 24.63 C ATOM 1791 CD2 TYR B 26 -18.241 -4.181 -6.010 1.00 24.19 C ATOM 1792 CE1 TYR B 26 -17.279 -2.610 -8.115 1.00 24.84 C ATOM 1793 CE2 TYR B 26 -16.861 -3.997 -6.173 1.00 24.77 C ATOM 1794 CZ TYR B 26 -16.381 -3.211 -7.225 1.00 24.25 C ATOM 1795 OH TYR B 26 -15.023 -3.029 -7.388 1.00 29.25 O ATOM 0 H TYR B 26 -20.099 -6.381 -8.230 1.00 32.09 H new ATOM 0 HA TYR B 26 -22.323 -4.514 -7.835 1.00 27.86 H new ATOM 0 HB2 TYR B 26 -21.128 -2.804 -6.671 1.00 23.99 H new ATOM 0 HB3 TYR B 26 -20.822 -4.266 -5.755 1.00 23.99 H new ATOM 0 HD1 TYR B 26 -19.346 -2.328 -8.639 1.00 24.63 H new ATOM 0 HD2 TYR B 26 -18.612 -4.787 -5.196 1.00 24.19 H new ATOM 0 HE1 TYR B 26 -16.908 -2.004 -8.928 1.00 24.84 H new ATOM 0 HE2 TYR B 26 -16.169 -4.462 -5.486 1.00 24.77 H new ATOM 0 HH TYR B 26 -14.541 -3.513 -6.685 1.00 29.25 H new ATOM 1805 N SER B 27 -21.320 -3.097 -9.731 1.00 24.52 N ATOM 1806 CA SER B 27 -20.850 -2.526 -11.023 1.00 22.20 C ATOM 1807 C SER B 27 -20.410 -1.085 -10.765 1.00 20.52 C ATOM 1808 O SER B 27 -21.169 -0.153 -10.942 1.00 23.07 O ATOM 1809 CB SER B 27 -21.991 -2.543 -12.041 1.00 25.30 C ATOM 1810 OG SER B 27 -22.246 -3.883 -12.439 1.00 29.25 O ATOM 0 H SER B 27 -22.131 -2.631 -9.325 1.00 24.52 H new ATOM 0 HA SER B 27 -20.022 -3.113 -11.420 1.00 22.20 H new ATOM 0 HB2 SER B 27 -22.889 -2.104 -11.606 1.00 25.30 H new ATOM 0 HB3 SER B 27 -21.729 -1.938 -12.909 1.00 25.30 H new ATOM 0 HG SER B 27 -22.978 -3.897 -13.090 1.00 29.25 H new ATOM 1816 N LEU B 28 -19.199 -0.896 -10.319 1.00 18.57 N ATOM 1817 CA LEU B 28 -18.728 0.483 -10.017 1.00 16.31 C ATOM 1818 C LEU B 28 -18.118 1.123 -11.269 1.00 14.21 C ATOM 1819 O LEU B 28 -17.680 0.447 -12.179 1.00 16.97 O ATOM 1820 CB LEU B 28 -17.699 0.426 -8.874 1.00 16.48 C ATOM 1821 CG LEU B 28 -16.286 0.192 -9.424 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -15.701 1.519 -9.919 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -15.395 -0.371 -8.311 1.00 22.01 C ATOM 0 H LEU B 28 -18.517 -1.636 -10.151 1.00 18.57 H new ATOM 0 HA LEU B 28 -19.572 1.098 -9.705 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -17.724 1.358 -8.309 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -17.962 -0.374 -8.182 1.00 16.48 H new ATOM 0 HG LEU B 28 -16.332 -0.516 -10.252 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -14.697 1.351 -10.309 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -16.334 1.924 -10.708 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -15.655 2.227 -9.092 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -14.390 -0.538 -8.699 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -15.352 0.339 -7.485 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -15.809 -1.315 -7.956 1.00 22.01 H new ATOM 1835 N ASN B 29 -18.086 2.427 -11.309 1.00 11.64 N ATOM 1836 CA ASN B 29 -17.505 3.134 -12.488 1.00 9.77 C ATOM 1837 C ASN B 29 -16.032 3.435 -12.202 1.00 7.94 C ATOM 1838 O ASN B 29 -15.693 3.934 -11.154 1.00 10.52 O ATOM 1839 CB ASN B 29 -18.251 4.455 -12.744 1.00 14.73 C ATOM 1840 CG ASN B 29 -19.478 4.583 -11.831 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -20.157 3.612 -11.561 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -19.802 5.754 -11.353 1.00 12.89 N ATOM 0 H ASN B 29 -18.439 3.037 -10.572 1.00 11.64 H new ATOM 0 HA ASN B 29 -17.601 2.501 -13.370 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -17.578 5.295 -12.574 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -18.563 4.503 -13.787 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -20.623 5.852 -10.755 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -19.234 6.571 -11.577 1.00 12.89 H new ATOM 1849 N GLU B 30 -15.153 3.134 -13.117 1.00 8.58 N ATOM 1850 CA GLU B 30 -13.706 3.412 -12.872 1.00 13.16 C ATOM 1851 C GLU B 30 -13.247 4.557 -13.779 1.00 12.26 C ATOM 1852 O GLU B 30 -13.867 4.850 -14.782 1.00 10.58 O ATOM 1853 CB GLU B 30 -12.886 2.158 -13.181 1.00 14.93 C ATOM 1854 CG GLU B 30 -13.131 1.106 -12.098 1.00 27.13 C ATOM 1855 CD GLU B 30 -14.009 -0.012 -12.661 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -15.173 0.248 -12.919 1.00 40.03 O ATOM 1857 OE2 GLU B 30 -13.503 -1.110 -12.826 1.00 38.01 O ATOM 0 H GLU B 30 -15.370 2.710 -14.019 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.561 3.693 -11.829 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -13.164 1.761 -14.157 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -11.826 2.407 -13.228 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -12.182 0.698 -11.752 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -13.615 1.563 -11.235 1.00 27.13 H new ATOM 1864 N GLN B 31 -12.167 5.209 -13.438 1.00 10.34 N ATOM 1865 CA GLN B 31 -11.681 6.335 -14.288 1.00 9.46 C ATOM 1866 C GLN B 31 -10.166 6.235 -14.472 1.00 10.09 C ATOM 1867 O GLN B 31 -9.558 5.217 -14.205 1.00 9.36 O ATOM 1868 CB GLN B 31 -12.020 7.670 -13.616 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.420 8.697 -14.679 1.00 10.62 C ATOM 1870 CD GLN B 31 -11.487 9.905 -14.594 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -10.460 9.849 -13.947 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -11.801 11.003 -15.225 1.00 12.39 N ATOM 0 H GLN B 31 -11.603 5.012 -12.612 1.00 10.34 H new ATOM 0 HA GLN B 31 -12.168 6.279 -15.262 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -12.834 7.533 -12.904 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -11.161 8.032 -13.052 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -12.365 8.250 -15.672 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.453 9.010 -14.528 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -12.663 11.050 -15.768 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -11.184 11.814 -15.175 1.00 12.39 H new ATOM 1881 N LEU B 32 -9.557 7.292 -14.936 1.00 6.80 N ATOM 1882 CA LEU B 32 -8.082 7.279 -15.154 1.00 10.34 C ATOM 1883 C LEU B 32 -7.474 8.573 -14.600 1.00 9.02 C ATOM 1884 O LEU B 32 -8.174 9.430 -14.100 1.00 11.15 O ATOM 1885 CB LEU B 32 -7.804 7.183 -16.655 1.00 10.20 C ATOM 1886 CG LEU B 32 -7.856 5.719 -17.102 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -8.976 5.540 -18.130 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -6.516 5.333 -17.734 1.00 15.89 C ATOM 0 H LEU B 32 -10.020 8.169 -15.175 1.00 6.80 H new ATOM 0 HA LEU B 32 -7.638 6.425 -14.642 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -8.539 7.768 -17.208 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -6.825 7.607 -16.880 1.00 10.20 H new ATOM 0 HG LEU B 32 -8.049 5.081 -16.240 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -9.014 4.498 -18.449 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -9.930 5.817 -17.681 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -8.783 6.177 -18.993 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -6.551 4.291 -18.053 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -6.324 5.970 -18.597 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -5.718 5.462 -17.003 1.00 15.89 H new ATOM 1900 N CYS B 33 -6.175 8.723 -14.677 1.00 9.68 N ATOM 1901 CA CYS B 33 -5.533 9.958 -14.148 1.00 8.10 C ATOM 1902 C CYS B 33 -4.052 9.948 -14.526 1.00 6.34 C ATOM 1903 O CYS B 33 -3.455 8.906 -14.703 1.00 8.02 O ATOM 1904 CB CYS B 33 -5.651 10.022 -12.615 1.00 8.88 C ATOM 1905 SG CYS B 33 -6.184 8.428 -11.931 1.00 13.84 S ATOM 0 H CYS B 33 -5.534 8.042 -15.084 1.00 9.68 H new ATOM 0 HA CYS B 33 -6.036 10.824 -14.577 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -4.689 10.302 -12.185 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -6.364 10.798 -12.334 1.00 8.88 H new ATOM 0 HG CYS B 33 -5.839 7.471 -12.741 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.450 11.099 -14.634 1.00 7.35 N ATOM 1912 CA TYR B 34 -2.003 11.154 -14.984 1.00 7.08 C ATOM 1913 C TYR B 34 -1.233 11.670 -13.774 1.00 7.71 C ATOM 1914 O TYR B 34 -1.147 12.859 -13.552 1.00 7.80 O ATOM 1915 CB TYR B 34 -1.785 12.123 -16.142 1.00 8.67 C ATOM 1916 CG TYR B 34 -1.932 11.422 -17.470 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -2.832 10.366 -17.628 1.00 13.61 C ATOM 1918 CD2 TYR B 34 -1.165 11.861 -18.558 1.00 12.44 C ATOM 1919 CE1 TYR B 34 -2.960 9.747 -18.876 1.00 17.22 C ATOM 1920 CE2 TYR B 34 -1.294 11.244 -19.799 1.00 16.38 C ATOM 1921 CZ TYR B 34 -2.189 10.188 -19.958 1.00 16.83 C ATOM 1922 OH TYR B 34 -2.318 9.576 -21.188 1.00 21.14 O ATOM 0 H TYR B 34 -3.898 12.005 -14.495 1.00 7.35 H new ATOM 0 HA TYR B 34 -1.660 10.160 -15.270 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -2.503 12.940 -16.077 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -0.791 12.565 -16.068 1.00 8.67 H new ATOM 0 HD1 TYR B 34 -3.426 10.029 -16.791 1.00 13.61 H new ATOM 0 HD2 TYR B 34 -0.472 12.680 -18.433 1.00 12.44 H new ATOM 0 HE1 TYR B 34 -3.653 8.929 -19.005 1.00 17.22 H new ATOM 0 HE2 TYR B 34 -0.702 11.583 -20.636 1.00 16.38 H new ATOM 0 HH TYR B 34 -1.713 10.002 -21.831 1.00 21.14 H new ATOM 1932 N VAL B 35 -0.679 10.798 -12.984 1.00 9.44 N ATOM 1933 CA VAL B 35 0.072 11.270 -11.788 1.00 10.66 C ATOM 1934 C VAL B 35 1.566 11.330 -12.095 1.00 10.57 C ATOM 1935 O VAL B 35 2.200 10.321 -12.330 1.00 8.31 O ATOM 1936 CB VAL B 35 -0.165 10.314 -10.619 1.00 10.22 C ATOM 1937 CG1 VAL B 35 0.709 10.737 -9.436 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -1.639 10.367 -10.211 1.00 9.86 C ATOM 0 H VAL B 35 -0.712 9.786 -13.111 1.00 9.44 H new ATOM 0 HA VAL B 35 -0.281 12.267 -11.524 1.00 10.66 H new ATOM 0 HB VAL B 35 0.092 9.298 -10.917 1.00 10.22 H new ATOM 0 HG11 VAL B 35 0.543 10.058 -8.600 1.00 7.97 H new ATOM 0 HG12 VAL B 35 1.758 10.703 -9.728 1.00 7.97 H new ATOM 0 HG13 VAL B 35 0.449 11.752 -9.136 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -1.811 9.686 -9.377 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -1.897 11.382 -9.909 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -2.261 10.071 -11.056 1.00 9.86 H new ATOM 1948 N ASP B 36 2.139 12.503 -12.085 1.00 8.58 N ATOM 1949 CA ASP B 36 3.586 12.612 -12.359 1.00 11.48 C ATOM 1950 C ASP B 36 4.335 11.792 -11.313 1.00 12.38 C ATOM 1951 O ASP B 36 5.380 11.232 -11.575 1.00 11.89 O ATOM 1952 CB ASP B 36 4.019 14.078 -12.275 1.00 16.17 C ATOM 1953 CG ASP B 36 3.391 14.726 -11.040 1.00 17.97 C ATOM 1954 OD1 ASP B 36 2.257 15.166 -11.138 1.00 25.89 O ATOM 1955 OD2 ASP B 36 4.054 14.771 -10.017 1.00 15.67 O ATOM 0 H ASP B 36 1.662 13.385 -11.898 1.00 8.58 H new ATOM 0 HA ASP B 36 3.808 12.238 -13.358 1.00 11.48 H new ATOM 0 HB2 ASP B 36 5.106 14.145 -12.221 1.00 16.17 H new ATOM 0 HB3 ASP B 36 3.711 14.611 -13.175 1.00 16.17 H new ATOM 1960 N LEU B 37 3.799 11.714 -10.125 1.00 13.17 N ATOM 1961 CA LEU B 37 4.468 10.931 -9.052 1.00 18.47 C ATOM 1962 C LEU B 37 5.951 11.290 -9.020 1.00 21.14 C ATOM 1963 O LEU B 37 6.786 10.493 -8.643 1.00 24.24 O ATOM 1964 CB LEU B 37 4.311 9.437 -9.334 1.00 15.81 C ATOM 1965 CG LEU B 37 4.939 8.640 -8.193 1.00 20.59 C ATOM 1966 CD1 LEU B 37 3.870 7.765 -7.535 1.00 14.72 C ATOM 1967 CD2 LEU B 37 6.057 7.754 -8.746 1.00 20.01 C ATOM 0 H LEU B 37 2.924 12.161 -9.853 1.00 13.17 H new ATOM 0 HA LEU B 37 4.012 11.166 -8.090 1.00 18.47 H new ATOM 0 HB2 LEU B 37 3.256 9.183 -9.433 1.00 15.81 H new ATOM 0 HB3 LEU B 37 4.790 9.181 -10.279 1.00 15.81 H new ATOM 0 HG LEU B 37 5.352 9.326 -7.453 1.00 20.59 H new ATOM 0 HD11 LEU B 37 4.317 7.195 -6.720 1.00 14.72 H new ATOM 0 HD12 LEU B 37 3.074 8.397 -7.142 1.00 14.72 H new ATOM 0 HD13 LEU B 37 3.457 7.078 -8.274 1.00 14.72 H new ATOM 0 HD21 LEU B 37 6.506 7.185 -7.932 1.00 20.01 H new ATOM 0 HD22 LEU B 37 5.645 7.067 -9.485 1.00 20.01 H new ATOM 0 HD23 LEU B 37 6.818 8.378 -9.215 1.00 20.01 H new ATOM 1979 N GLY B 38 6.284 12.486 -9.414 1.00 20.70 N ATOM 1980 CA GLY B 38 7.710 12.898 -9.408 1.00 23.91 C ATOM 1981 C GLY B 38 8.471 12.109 -10.481 1.00 26.50 C ATOM 1982 O GLY B 38 9.681 12.012 -10.454 1.00 31.02 O ATOM 0 H GLY B 38 5.628 13.196 -9.740 1.00 20.70 H new ATOM 0 HA2 GLY B 38 7.792 13.968 -9.600 1.00 23.91 H new ATOM 0 HA3 GLY B 38 8.149 12.716 -8.427 1.00 23.91 H new ATOM 1986 N ASN B 39 7.763 11.533 -11.419 1.00 27.64 N ATOM 1987 CA ASN B 39 8.429 10.738 -12.487 1.00 30.27 C ATOM 1988 C ASN B 39 8.761 11.628 -13.690 1.00 26.79 C ATOM 1989 O ASN B 39 8.859 11.162 -14.808 1.00 26.87 O ATOM 1990 CB ASN B 39 7.496 9.609 -12.938 1.00 35.62 C ATOM 1991 CG ASN B 39 7.295 8.613 -11.793 1.00 41.31 C ATOM 1992 OD1 ASN B 39 8.132 8.498 -10.919 1.00 43.23 O ATOM 1993 ND2 ASN B 39 6.213 7.879 -11.762 1.00 39.63 N ATOM 0 H ASN B 39 6.747 11.581 -11.489 1.00 27.64 H new ATOM 0 HA ASN B 39 9.354 10.322 -12.088 1.00 30.27 H new ATOM 0 HB2 ASN B 39 6.535 10.021 -13.247 1.00 35.62 H new ATOM 0 HB3 ASN B 39 7.918 9.100 -13.805 1.00 35.62 H new ATOM 0 HD21 ASN B 39 6.072 7.210 -11.005 1.00 39.63 H new ATOM 0 HD22 ASN B 39 5.510 7.975 -12.495 1.00 39.63 H new ATOM 2000 N GLU B 40 8.939 12.900 -13.474 1.00 25.15 N ATOM 2001 CA GLU B 40 9.271 13.815 -14.609 1.00 23.81 C ATOM 2002 C GLU B 40 8.307 13.576 -15.779 1.00 21.12 C ATOM 2003 O GLU B 40 8.602 13.897 -16.912 1.00 19.86 O ATOM 2004 CB GLU B 40 10.705 13.549 -15.071 1.00 27.22 C ATOM 2005 CG GLU B 40 11.648 13.596 -13.867 1.00 34.87 C ATOM 2006 CD GLU B 40 12.538 14.837 -13.962 1.00 38.97 C ATOM 2007 OE1 GLU B 40 12.024 15.926 -13.765 1.00 42.34 O ATOM 2008 OE2 GLU B 40 13.717 14.677 -14.229 1.00 39.54 O ATOM 0 H GLU B 40 8.870 13.350 -12.561 1.00 25.15 H new ATOM 0 HA GLU B 40 9.175 14.848 -14.274 1.00 23.81 H new ATOM 0 HB2 GLU B 40 10.767 12.575 -15.557 1.00 27.22 H new ATOM 0 HB3 GLU B 40 11.004 14.293 -15.809 1.00 27.22 H new ATOM 0 HG2 GLU B 40 11.072 13.619 -12.942 1.00 34.87 H new ATOM 0 HG3 GLU B 40 12.263 12.696 -13.838 1.00 34.87 H new ATOM 2015 N HIS B 41 7.159 13.021 -15.510 1.00 5.30 N ATOM 2016 CA HIS B 41 6.167 12.760 -16.596 1.00 4.47 C ATOM 2017 C HIS B 41 4.895 12.209 -15.954 1.00 3.46 C ATOM 2018 O HIS B 41 4.959 11.617 -14.897 1.00 2.87 O ATOM 2019 CB HIS B 41 6.734 11.731 -17.578 1.00 5.08 C ATOM 2020 CG HIS B 41 7.390 12.439 -18.729 1.00 4.35 C ATOM 2021 ND1 HIS B 41 8.767 12.493 -18.879 1.00 4.64 N ATOM 2022 CD2 HIS B 41 6.869 13.123 -19.796 1.00 4.25 C ATOM 2023 CE1 HIS B 41 9.025 13.191 -20.000 1.00 4.47 C ATOM 2024 NE2 HIS B 41 7.902 13.598 -20.599 1.00 4.34 N ATOM 0 H HIS B 41 6.861 12.734 -14.578 1.00 5.30 H new ATOM 0 HA HIS B 41 5.951 13.680 -17.139 1.00 4.47 H new ATOM 0 HB2 HIS B 41 7.457 11.091 -17.072 1.00 5.08 H new ATOM 0 HB3 HIS B 41 5.936 11.084 -17.943 1.00 5.08 H new ATOM 0 HD2 HIS B 41 5.816 13.271 -19.985 1.00 4.25 H new ATOM 0 HE1 HIS B 41 10.018 13.397 -20.370 1.00 4.47 H new ATOM 0 HE2 HIS B 41 7.820 14.140 -21.459 1.00 4.34 H new ATOM 2032 N PRO B 42 3.775 12.419 -16.596 1.00 15.11 N ATOM 2033 CA PRO B 42 2.481 11.954 -16.076 1.00 16.08 C ATOM 2034 C PRO B 42 2.325 10.456 -16.273 1.00 17.92 C ATOM 2035 O PRO B 42 2.746 9.899 -17.267 1.00 17.13 O ATOM 2036 CB PRO B 42 1.452 12.692 -16.923 1.00 16.41 C ATOM 2037 CG PRO B 42 2.175 13.091 -18.227 1.00 13.79 C ATOM 2038 CD PRO B 42 3.686 13.119 -17.895 1.00 16.28 C ATOM 0 HA PRO B 42 2.376 12.145 -15.008 1.00 16.08 H new ATOM 0 HB2 PRO B 42 0.592 12.056 -17.133 1.00 16.41 H new ATOM 0 HB3 PRO B 42 1.077 13.572 -16.401 1.00 16.41 H new ATOM 0 HG2 PRO B 42 1.965 12.376 -19.022 1.00 13.79 H new ATOM 0 HG3 PRO B 42 1.836 14.066 -18.577 1.00 13.79 H new ATOM 0 HD2 PRO B 42 4.273 12.615 -18.662 1.00 16.28 H new ATOM 0 HD3 PRO B 42 4.061 14.140 -17.826 1.00 16.28 H new ATOM 2046 N VAL B 43 1.703 9.803 -15.343 1.00 16.29 N ATOM 2047 CA VAL B 43 1.496 8.349 -15.487 1.00 14.28 C ATOM 2048 C VAL B 43 0.004 8.066 -15.491 1.00 9.00 C ATOM 2049 O VAL B 43 -0.699 8.346 -14.540 1.00 7.99 O ATOM 2050 CB VAL B 43 2.163 7.616 -14.326 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.629 8.039 -14.227 1.00 18.07 C ATOM 2052 CG2 VAL B 43 1.439 7.967 -13.023 1.00 20.57 C ATOM 0 H VAL B 43 1.329 10.215 -14.488 1.00 16.29 H new ATOM 0 HA VAL B 43 1.938 8.001 -16.421 1.00 14.28 H new ATOM 0 HB VAL B 43 2.109 6.541 -14.495 1.00 17.96 H new ATOM 0 HG11 VAL B 43 4.104 7.515 -13.398 1.00 18.07 H new ATOM 0 HG12 VAL B 43 4.143 7.790 -15.155 1.00 18.07 H new ATOM 0 HG13 VAL B 43 3.687 9.114 -14.057 1.00 18.07 H new ATOM 0 HG21 VAL B 43 1.913 7.445 -12.192 1.00 20.57 H new ATOM 0 HG22 VAL B 43 1.494 9.043 -12.855 1.00 20.57 H new ATOM 0 HG23 VAL B 43 0.395 7.663 -13.094 1.00 20.57 H new ATOM 2062 N LEU B 44 -0.485 7.520 -16.560 1.00 10.19 N ATOM 2063 CA LEU B 44 -1.930 7.226 -16.640 1.00 11.55 C ATOM 2064 C LEU B 44 -2.273 6.105 -15.662 1.00 10.61 C ATOM 2065 O LEU B 44 -1.871 4.970 -15.828 1.00 13.49 O ATOM 2066 CB LEU B 44 -2.271 6.813 -18.063 1.00 10.60 C ATOM 2067 CG LEU B 44 -3.735 6.397 -18.134 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -4.607 7.465 -17.473 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -4.144 6.236 -19.599 1.00 20.21 C ATOM 0 H LEU B 44 0.058 7.264 -17.385 1.00 10.19 H new ATOM 0 HA LEU B 44 -2.510 8.110 -16.376 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -2.083 7.640 -18.748 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -1.632 5.988 -18.377 1.00 10.60 H new ATOM 0 HG LEU B 44 -3.870 5.450 -17.611 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -5.653 7.164 -17.526 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -4.314 7.579 -16.429 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -4.476 8.414 -17.992 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -5.191 5.938 -19.654 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -4.008 7.183 -20.121 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -3.524 5.471 -20.068 1.00 20.21 H new ATOM 2081 N VAL B 45 -3.007 6.426 -14.637 1.00 10.81 N ATOM 2082 CA VAL B 45 -3.381 5.401 -13.626 1.00 9.29 C ATOM 2083 C VAL B 45 -4.899 5.232 -13.616 1.00 9.95 C ATOM 2084 O VAL B 45 -5.625 6.007 -14.207 1.00 9.36 O ATOM 2085 CB VAL B 45 -2.884 5.852 -12.253 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -3.683 5.167 -11.136 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -1.405 5.486 -12.115 1.00 10.20 C ATOM 0 H VAL B 45 -3.367 7.363 -14.454 1.00 10.81 H new ATOM 0 HA VAL B 45 -2.923 4.443 -13.873 1.00 9.29 H new ATOM 0 HB VAL B 45 -3.017 6.930 -12.165 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -3.314 5.502 -10.167 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -4.737 5.426 -11.232 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -3.566 4.086 -11.215 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -1.041 5.804 -11.138 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -1.287 4.407 -12.213 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -0.832 5.986 -12.896 1.00 10.20 H new ATOM 2097 N LYS B 46 -5.383 4.218 -12.958 1.00 10.76 N ATOM 2098 CA LYS B 46 -6.851 3.997 -12.925 1.00 12.81 C ATOM 2099 C LYS B 46 -7.484 4.796 -11.782 1.00 13.35 C ATOM 2100 O LYS B 46 -6.804 5.419 -10.992 1.00 12.90 O ATOM 2101 CB LYS B 46 -7.138 2.507 -12.732 1.00 17.04 C ATOM 2102 CG LYS B 46 -6.205 1.687 -13.626 1.00 26.60 C ATOM 2103 CD LYS B 46 -6.929 0.425 -14.099 1.00 33.77 C ATOM 2104 CE LYS B 46 -7.723 0.737 -15.369 1.00 34.48 C ATOM 2105 NZ LYS B 46 -8.979 -0.065 -15.378 1.00 36.74 N ATOM 0 H LYS B 46 -4.827 3.535 -12.443 1.00 10.76 H new ATOM 0 HA LYS B 46 -7.281 4.334 -13.868 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -6.994 2.230 -11.688 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -8.178 2.291 -12.978 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -5.891 2.282 -14.484 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -5.303 1.417 -13.077 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -6.208 -0.369 -14.294 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -7.598 0.063 -13.319 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -7.958 1.801 -15.412 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -7.125 0.506 -16.251 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -9.520 0.146 -16.241 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -8.744 -1.078 -15.356 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -9.551 0.176 -14.544 1.00 36.74 H new ATOM 2119 N ILE B 47 -8.787 4.778 -11.693 1.00 13.96 N ATOM 2120 CA ILE B 47 -9.478 5.529 -10.609 1.00 16.93 C ATOM 2121 C ILE B 47 -10.845 4.885 -10.347 1.00 16.52 C ATOM 2122 O ILE B 47 -11.338 4.106 -11.138 1.00 17.67 O ATOM 2123 CB ILE B 47 -9.636 7.008 -11.035 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -8.688 7.871 -10.204 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -11.072 7.507 -10.817 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -9.210 7.958 -8.769 1.00 18.26 C ATOM 0 H ILE B 47 -9.404 4.272 -12.329 1.00 13.96 H new ATOM 0 HA ILE B 47 -8.894 5.494 -9.690 1.00 16.93 H new ATOM 0 HB ILE B 47 -9.401 7.081 -12.097 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -7.686 7.443 -10.213 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -8.612 8.869 -10.637 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -11.146 8.549 -11.127 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -11.761 6.903 -11.408 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -11.330 7.423 -9.761 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -8.536 8.573 -8.173 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -10.204 8.405 -8.770 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -9.263 6.957 -8.340 1.00 18.26 H new ATOM 2138 N THR B 48 -11.461 5.216 -9.247 1.00 16.86 N ATOM 2139 CA THR B 48 -12.794 4.639 -8.936 1.00 16.59 C ATOM 2140 C THR B 48 -13.850 5.742 -9.037 1.00 19.04 C ATOM 2141 O THR B 48 -13.576 6.900 -8.795 1.00 22.56 O ATOM 2142 CB THR B 48 -12.782 4.066 -7.521 1.00 16.30 C ATOM 2143 OG1 THR B 48 -11.690 3.168 -7.382 1.00 17.90 O ATOM 2144 CG2 THR B 48 -14.092 3.325 -7.258 1.00 16.02 C ATOM 0 H THR B 48 -11.096 5.864 -8.549 1.00 16.86 H new ATOM 0 HA THR B 48 -13.027 3.843 -9.643 1.00 16.59 H new ATOM 0 HB THR B 48 -12.676 4.878 -6.802 1.00 16.30 H new ATOM 0 HG1 THR B 48 -12.026 2.277 -7.151 1.00 17.90 H new ATOM 0 HG21 THR B 48 -14.082 2.916 -6.248 1.00 16.02 H new ATOM 0 HG22 THR B 48 -14.928 4.016 -7.362 1.00 16.02 H new ATOM 0 HG23 THR B 48 -14.201 2.513 -7.977 1.00 16.02 H new ATOM 2152 N LEU B 49 -15.049 5.391 -9.401 1.00 18.35 N ATOM 2153 CA LEU B 49 -16.123 6.414 -9.531 1.00 18.82 C ATOM 2154 C LEU B 49 -17.390 5.910 -8.838 1.00 20.06 C ATOM 2155 O LEU B 49 -17.855 4.816 -9.091 1.00 18.35 O ATOM 2156 CB LEU B 49 -16.413 6.655 -11.020 1.00 18.79 C ATOM 2157 CG LEU B 49 -16.070 8.093 -11.405 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -17.197 9.024 -10.949 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -14.754 8.517 -10.743 1.00 14.50 C ATOM 0 H LEU B 49 -15.334 4.435 -9.615 1.00 18.35 H new ATOM 0 HA LEU B 49 -15.802 7.346 -9.066 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -15.831 5.961 -11.627 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -17.464 6.457 -11.229 1.00 18.79 H new ATOM 0 HG LEU B 49 -15.958 8.156 -12.487 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -16.954 10.051 -11.223 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -18.129 8.731 -11.432 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -17.311 8.954 -9.867 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -14.519 9.544 -11.024 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -14.854 8.452 -9.660 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -13.951 7.858 -11.074 1.00 14.50 H new ATOM 2171 N ASP B 50 -17.951 6.698 -7.962 1.00 22.62 N ATOM 2172 CA ASP B 50 -19.186 6.264 -7.251 1.00 27.04 C ATOM 2173 C ASP B 50 -20.377 6.332 -8.208 1.00 27.73 C ATOM 2174 O ASP B 50 -20.426 7.159 -9.096 1.00 26.65 O ATOM 2175 CB ASP B 50 -19.438 7.185 -6.056 1.00 29.11 C ATOM 2176 CG ASP B 50 -18.938 6.512 -4.777 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -19.622 5.626 -4.291 1.00 33.99 O ATOM 2178 OD2 ASP B 50 -17.879 6.893 -4.305 1.00 30.76 O ATOM 0 H ASP B 50 -17.607 7.624 -7.708 1.00 22.62 H new ATOM 0 HA ASP B 50 -19.061 5.240 -6.900 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -18.926 8.136 -6.203 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -20.502 7.405 -5.971 1.00 29.11 H new ATOM 2183 N GLU B 51 -21.337 5.466 -8.033 1.00 31.16 N ATOM 2184 CA GLU B 51 -22.526 5.479 -8.931 1.00 34.22 C ATOM 2185 C GLU B 51 -23.236 6.830 -8.821 1.00 34.98 C ATOM 2186 O GLU B 51 -24.071 7.035 -7.962 1.00 34.19 O ATOM 2187 CB GLU B 51 -23.486 4.362 -8.517 1.00 38.24 C ATOM 2188 CG GLU B 51 -24.276 3.888 -9.738 1.00 46.84 C ATOM 2189 CD GLU B 51 -25.754 3.750 -9.369 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -26.035 3.546 -8.199 1.00 54.92 O ATOM 2191 OE2 GLU B 51 -26.579 3.851 -10.261 1.00 53.83 O ATOM 0 H GLU B 51 -21.349 4.750 -7.307 1.00 31.16 H new ATOM 0 HA GLU B 51 -22.206 5.322 -9.961 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -22.929 3.530 -8.086 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -24.168 4.722 -7.747 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -24.160 4.598 -10.557 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -23.887 2.932 -10.087 1.00 46.84 H new ATOM 2198 N GLY B 52 -22.914 7.754 -9.685 1.00 34.53 N ATOM 2199 CA GLY B 52 -23.575 9.089 -9.627 1.00 34.93 C ATOM 2200 C GLY B 52 -22.514 10.190 -9.637 1.00 36.10 C ATOM 2201 O GLY B 52 -22.749 11.287 -10.105 1.00 35.97 O ATOM 0 H GLY B 52 -22.223 7.643 -10.427 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -24.247 9.210 -10.477 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -24.184 9.165 -8.726 1.00 34.93 H new ATOM 2205 N GLN B 53 -21.347 9.912 -9.123 1.00 36.52 N ATOM 2206 CA GLN B 53 -20.277 10.949 -9.105 1.00 35.40 C ATOM 2207 C GLN B 53 -19.728 11.143 -10.523 1.00 31.02 C ATOM 2208 O GLN B 53 -19.641 10.200 -11.284 1.00 29.05 O ATOM 2209 CB GLN B 53 -19.146 10.503 -8.176 1.00 41.20 C ATOM 2210 CG GLN B 53 -19.084 11.437 -6.966 1.00 47.61 C ATOM 2211 CD GLN B 53 -17.638 11.548 -6.479 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -17.343 11.240 -5.342 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -16.718 11.980 -7.297 1.00 54.76 N ATOM 0 H GLN B 53 -21.089 9.013 -8.716 1.00 36.52 H new ATOM 0 HA GLN B 53 -20.692 11.890 -8.744 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -19.313 9.477 -7.849 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -18.195 10.517 -8.709 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -19.465 12.422 -7.234 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -19.720 11.056 -6.167 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -16.965 12.239 -8.252 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -15.751 12.059 -6.981 1.00 54.76 H new ATOM 2222 N PRO B 54 -19.376 12.365 -10.834 1.00 27.43 N ATOM 2223 CA PRO B 54 -18.832 12.725 -12.155 1.00 23.44 C ATOM 2224 C PRO B 54 -17.357 12.326 -12.257 1.00 20.14 C ATOM 2225 O PRO B 54 -16.521 12.816 -11.524 1.00 21.64 O ATOM 2226 CB PRO B 54 -18.989 14.244 -12.207 1.00 24.39 C ATOM 2227 CG PRO B 54 -19.076 14.722 -10.743 1.00 27.18 C ATOM 2228 CD PRO B 54 -19.489 13.502 -9.900 1.00 28.37 C ATOM 0 HA PRO B 54 -19.339 12.220 -12.977 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -18.143 14.705 -12.717 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -19.885 14.523 -12.761 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -18.117 15.117 -10.408 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -19.805 15.526 -10.642 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -18.836 13.375 -9.036 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -20.505 13.606 -9.519 1.00 28.37 H new ATOM 2236 N ALA B 55 -17.030 11.437 -13.157 1.00 17.21 N ATOM 2237 CA ALA B 55 -15.614 11.008 -13.301 1.00 15.58 C ATOM 2238 C ALA B 55 -14.684 12.219 -13.215 1.00 16.41 C ATOM 2239 O ALA B 55 -15.071 13.338 -13.488 1.00 13.65 O ATOM 2240 CB ALA B 55 -15.431 10.323 -14.653 1.00 13.98 C ATOM 0 H ALA B 55 -17.686 10.990 -13.798 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.368 10.315 -12.497 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -14.394 10.007 -14.763 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -16.084 9.452 -14.711 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -15.684 11.020 -15.451 1.00 13.98 H new ATOM 2246 N TYR B 56 -13.455 11.996 -12.839 1.00 15.93 N ATOM 2247 CA TYR B 56 -12.483 13.118 -12.732 1.00 14.61 C ATOM 2248 C TYR B 56 -12.517 13.959 -14.009 1.00 15.51 C ATOM 2249 O TYR B 56 -12.123 13.513 -15.069 1.00 17.19 O ATOM 2250 CB TYR B 56 -11.079 12.548 -12.538 1.00 12.92 C ATOM 2251 CG TYR B 56 -10.953 11.921 -11.161 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -12.006 12.013 -10.236 1.00 12.42 C ATOM 2253 CD2 TYR B 56 -9.780 11.245 -10.815 1.00 7.14 C ATOM 2254 CE1 TYR B 56 -11.878 11.429 -8.970 1.00 11.47 C ATOM 2255 CE2 TYR B 56 -9.653 10.663 -9.551 1.00 7.90 C ATOM 2256 CZ TYR B 56 -10.702 10.754 -8.628 1.00 10.29 C ATOM 2257 OH TYR B 56 -10.574 10.178 -7.380 1.00 12.03 O ATOM 0 H TYR B 56 -13.081 11.078 -12.600 1.00 15.93 H new ATOM 0 HA TYR B 56 -12.749 13.747 -11.882 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -10.872 11.802 -13.305 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.338 13.339 -12.655 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -12.914 12.534 -10.501 1.00 12.42 H new ATOM 0 HD2 TYR B 56 -8.970 11.172 -11.526 1.00 7.14 H new ATOM 0 HE1 TYR B 56 -12.687 11.500 -8.258 1.00 11.47 H new ATOM 0 HE2 TYR B 56 -8.745 10.142 -9.286 1.00 7.90 H new ATOM 0 HH TYR B 56 -11.456 9.902 -7.055 1.00 12.03 H new ATOM 2267 N ALA B 57 -12.980 15.175 -13.915 1.00 13.38 N ATOM 2268 CA ALA B 57 -13.033 16.047 -15.121 1.00 14.95 C ATOM 2269 C ALA B 57 -11.606 16.348 -15.590 1.00 15.46 C ATOM 2270 O ALA B 57 -10.651 15.932 -14.964 1.00 17.82 O ATOM 2271 CB ALA B 57 -13.741 17.356 -14.769 1.00 14.98 C ATOM 0 H ALA B 57 -13.324 15.602 -13.055 1.00 13.38 H new ATOM 0 HA ALA B 57 -13.580 15.541 -15.917 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -13.781 17.996 -15.650 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -14.754 17.142 -14.430 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -13.193 17.864 -13.976 1.00 14.98 H new ATOM 2277 N PRO B 58 -11.504 17.062 -16.681 1.00 15.20 N ATOM 2278 CA PRO B 58 -10.204 17.439 -17.264 1.00 16.55 C ATOM 2279 C PRO B 58 -9.589 18.609 -16.489 1.00 16.75 C ATOM 2280 O PRO B 58 -10.114 19.705 -16.484 1.00 17.28 O ATOM 2281 CB PRO B 58 -10.562 17.856 -18.693 1.00 15.65 C ATOM 2282 CG PRO B 58 -12.061 18.238 -18.675 1.00 14.16 C ATOM 2283 CD PRO B 58 -12.673 17.561 -17.435 1.00 13.96 C ATOM 0 HA PRO B 58 -9.468 16.636 -17.231 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -9.951 18.698 -19.016 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -10.377 17.041 -19.393 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -12.184 19.320 -18.626 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -12.558 17.901 -19.585 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -13.257 18.266 -16.844 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -13.343 16.748 -17.715 1.00 13.96 H new ATOM 2291 N GLY B 59 -8.481 18.387 -15.834 1.00 17.22 N ATOM 2292 CA GLY B 59 -7.840 19.490 -15.062 1.00 15.08 C ATOM 2293 C GLY B 59 -6.670 18.939 -14.243 1.00 14.96 C ATOM 2294 O GLY B 59 -6.409 17.753 -14.242 1.00 13.79 O ATOM 0 H GLY B 59 -7.993 17.492 -15.800 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -7.486 20.265 -15.743 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -8.571 19.956 -14.401 1.00 15.08 H new ATOM 2298 N LEU B 60 -5.971 19.790 -13.537 1.00 15.83 N ATOM 2299 CA LEU B 60 -4.829 19.313 -12.705 1.00 14.53 C ATOM 2300 C LEU B 60 -5.391 18.624 -11.466 1.00 14.15 C ATOM 2301 O LEU B 60 -6.485 18.923 -11.035 1.00 13.27 O ATOM 2302 CB LEU B 60 -3.974 20.507 -12.278 1.00 15.84 C ATOM 2303 CG LEU B 60 -2.845 20.714 -13.285 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -3.387 21.447 -14.515 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -1.734 21.547 -12.641 1.00 15.01 C ATOM 0 H LEU B 60 -6.143 20.795 -13.502 1.00 15.83 H new ATOM 0 HA LEU B 60 -4.213 18.618 -13.276 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -4.589 21.405 -12.217 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -3.561 20.335 -11.284 1.00 15.84 H new ATOM 0 HG LEU B 60 -2.444 19.746 -13.587 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -2.582 21.595 -15.234 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -4.178 20.853 -14.973 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -3.788 22.415 -14.214 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -0.928 21.695 -13.359 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -2.134 22.515 -12.339 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -1.349 21.025 -11.765 1.00 15.01 H new ATOM 2317 N TYR B 61 -4.675 17.696 -10.890 1.00 11.12 N ATOM 2318 CA TYR B 61 -5.218 17.006 -9.694 1.00 9.57 C ATOM 2319 C TYR B 61 -4.146 16.763 -8.650 1.00 11.76 C ATOM 2320 O TYR B 61 -2.960 16.829 -8.905 1.00 11.26 O ATOM 2321 CB TYR B 61 -5.811 15.665 -10.102 1.00 9.42 C ATOM 2322 CG TYR B 61 -7.215 15.879 -10.583 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -7.442 16.528 -11.797 1.00 10.68 C ATOM 2324 CD2 TYR B 61 -8.291 15.432 -9.808 1.00 10.26 C ATOM 2325 CE1 TYR B 61 -8.748 16.732 -12.242 1.00 13.03 C ATOM 2326 CE2 TYR B 61 -9.598 15.635 -10.253 1.00 13.99 C ATOM 2327 CZ TYR B 61 -9.824 16.286 -11.468 1.00 11.06 C ATOM 2328 OH TYR B 61 -11.115 16.476 -11.917 1.00 14.61 O ATOM 0 H TYR B 61 -3.750 17.392 -11.194 1.00 11.12 H new ATOM 0 HA TYR B 61 -5.983 17.651 -9.262 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -5.209 15.210 -10.889 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -5.803 14.977 -9.257 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -6.608 16.872 -12.391 1.00 10.68 H new ATOM 0 HD2 TYR B 61 -8.110 14.931 -8.868 1.00 10.26 H new ATOM 0 HE1 TYR B 61 -8.928 17.233 -13.182 1.00 13.03 H new ATOM 0 HE2 TYR B 61 -10.432 15.290 -9.660 1.00 13.99 H new ATOM 0 HH TYR B 61 -11.116 16.534 -12.895 1.00 14.61 H new ATOM 2338 N THR B 62 -4.589 16.449 -7.474 1.00 12.22 N ATOM 2339 CA THR B 62 -3.670 16.150 -6.362 1.00 14.26 C ATOM 2340 C THR B 62 -4.340 15.078 -5.530 1.00 15.40 C ATOM 2341 O THR B 62 -5.437 15.255 -5.038 1.00 16.24 O ATOM 2342 CB THR B 62 -3.442 17.393 -5.516 1.00 15.07 C ATOM 2343 OG1 THR B 62 -4.650 17.744 -4.853 1.00 18.36 O ATOM 2344 CG2 THR B 62 -2.997 18.540 -6.419 1.00 11.61 C ATOM 0 H THR B 62 -5.578 16.386 -7.234 1.00 12.22 H new ATOM 0 HA THR B 62 -2.700 15.820 -6.734 1.00 14.26 H new ATOM 0 HB THR B 62 -2.670 17.195 -4.772 1.00 15.07 H new ATOM 0 HG1 THR B 62 -5.023 16.952 -4.412 1.00 18.36 H new ATOM 0 HG21 THR B 62 -2.832 19.434 -5.817 1.00 11.61 H new ATOM 0 HG22 THR B 62 -2.071 18.267 -6.924 1.00 11.61 H new ATOM 0 HG23 THR B 62 -3.770 18.740 -7.161 1.00 11.61 H new ATOM 2352 N VAL B 63 -3.718 13.960 -5.389 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.361 12.879 -4.610 1.00 15.17 C ATOM 2354 C VAL B 63 -4.828 13.447 -3.277 1.00 14.24 C ATOM 2355 O VAL B 63 -4.516 14.566 -2.922 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.392 11.726 -4.389 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -4.179 10.504 -3.924 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -2.679 11.396 -5.707 1.00 18.64 C ATOM 0 H VAL B 63 -2.799 13.743 -5.774 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.217 12.491 -5.163 1.00 15.17 H new ATOM 0 HB VAL B 63 -2.653 12.004 -3.637 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.495 9.671 -3.762 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -4.695 10.736 -2.992 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -4.910 10.231 -4.685 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -1.985 10.570 -5.549 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.416 11.112 -6.458 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -2.129 12.271 -6.052 1.00 18.64 H new ATOM 2368 N HIS B 64 -5.583 12.693 -2.544 1.00 13.31 N ATOM 2369 CA HIS B 64 -6.085 13.194 -1.239 1.00 10.78 C ATOM 2370 C HIS B 64 -5.812 12.141 -0.163 1.00 14.19 C ATOM 2371 O HIS B 64 -6.228 11.001 -0.278 1.00 11.59 O ATOM 2372 CB HIS B 64 -7.589 13.460 -1.344 1.00 11.86 C ATOM 2373 CG HIS B 64 -8.000 14.486 -0.325 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -7.373 14.602 0.905 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -8.994 15.434 -0.331 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -7.996 15.578 1.588 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -8.991 16.121 0.880 1.00 20.65 N ATOM 0 H HIS B 64 -5.877 11.748 -2.790 1.00 13.31 H new ATOM 0 HA HIS B 64 -5.578 14.121 -0.973 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -7.836 13.811 -2.346 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -8.143 12.535 -1.185 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -9.674 15.618 -1.150 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -7.725 15.886 2.587 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -9.614 16.876 1.165 1.00 20.65 H new ATOM 2385 N LEU B 65 -5.104 12.514 0.872 1.00 12.93 N ATOM 2386 CA LEU B 65 -4.781 11.547 1.956 1.00 14.44 C ATOM 2387 C LEU B 65 -6.062 11.144 2.688 1.00 12.66 C ATOM 2388 O LEU B 65 -6.055 10.264 3.526 1.00 10.20 O ATOM 2389 CB LEU B 65 -3.743 12.199 2.901 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.271 12.400 4.333 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -3.348 11.685 5.315 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -4.305 13.897 4.654 1.00 19.03 C ATOM 0 H LEU B 65 -4.735 13.455 1.011 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.347 10.634 1.548 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -2.849 11.576 2.934 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -3.444 13.164 2.492 1.00 14.94 H new ATOM 0 HG LEU B 65 -5.277 11.989 4.417 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -3.719 11.825 6.330 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -3.323 10.621 5.081 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -2.342 12.098 5.236 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -4.678 14.043 5.667 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -3.299 14.309 4.575 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -4.962 14.406 3.948 1.00 19.03 H new ATOM 2404 N SER B 66 -7.165 11.766 2.377 1.00 13.51 N ATOM 2405 CA SER B 66 -8.433 11.397 3.054 1.00 10.39 C ATOM 2406 C SER B 66 -8.653 9.891 2.890 1.00 8.56 C ATOM 2407 O SER B 66 -9.459 9.290 3.572 1.00 11.70 O ATOM 2408 CB SER B 66 -9.595 12.155 2.411 1.00 12.88 C ATOM 2409 OG SER B 66 -10.823 11.660 2.927 1.00 14.72 O ATOM 0 H SER B 66 -7.240 12.511 1.685 1.00 13.51 H new ATOM 0 HA SER B 66 -8.380 11.654 4.112 1.00 10.39 H new ATOM 0 HB2 SER B 66 -9.505 13.222 2.615 1.00 12.88 H new ATOM 0 HB3 SER B 66 -9.568 12.034 1.328 1.00 12.88 H new ATOM 0 HG SER B 66 -10.695 10.746 3.256 1.00 14.72 H new ATOM 2415 N SER B 67 -7.946 9.283 1.973 1.00 7.98 N ATOM 2416 CA SER B 67 -8.114 7.822 1.740 1.00 8.20 C ATOM 2417 C SER B 67 -7.016 7.023 2.456 1.00 11.02 C ATOM 2418 O SER B 67 -7.040 5.808 2.466 1.00 11.45 O ATOM 2419 CB SER B 67 -8.037 7.540 0.241 1.00 8.01 C ATOM 2420 OG SER B 67 -9.014 8.322 -0.434 1.00 11.22 O ATOM 0 H SER B 67 -7.258 9.739 1.374 1.00 7.98 H new ATOM 0 HA SER B 67 -9.083 7.517 2.136 1.00 8.20 H new ATOM 0 HB2 SER B 67 -7.042 7.777 -0.135 1.00 8.01 H new ATOM 0 HB3 SER B 67 -8.206 6.480 0.049 1.00 8.01 H new ATOM 0 HG SER B 67 -9.435 7.784 -1.137 1.00 11.22 H new ATOM 2426 N PHE B 68 -6.047 7.677 3.040 1.00 10.09 N ATOM 2427 CA PHE B 68 -4.958 6.919 3.725 1.00 11.79 C ATOM 2428 C PHE B 68 -5.426 6.478 5.113 1.00 12.69 C ATOM 2429 O PHE B 68 -6.306 7.073 5.703 1.00 14.25 O ATOM 2430 CB PHE B 68 -3.711 7.801 3.857 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.346 8.397 2.512 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -4.016 7.999 1.344 1.00 12.12 C ATOM 2433 CD2 PHE B 68 -2.354 9.379 2.446 1.00 10.16 C ATOM 2434 CE1 PHE B 68 -3.691 8.587 0.119 1.00 10.35 C ATOM 2435 CE2 PHE B 68 -2.026 9.962 1.218 1.00 9.89 C ATOM 2436 CZ PHE B 68 -2.697 9.567 0.056 1.00 11.87 C ATOM 0 H PHE B 68 -5.962 8.693 3.073 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.712 6.038 3.132 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -3.895 8.598 4.578 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -2.878 7.211 4.239 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -4.782 7.239 1.392 1.00 12.12 H new ATOM 0 HD2 PHE B 68 -1.840 9.688 3.344 1.00 10.16 H new ATOM 0 HE1 PHE B 68 -4.208 8.284 -0.779 1.00 10.35 H new ATOM 0 HE2 PHE B 68 -1.255 10.717 1.167 1.00 9.89 H new ATOM 0 HZ PHE B 68 -2.446 10.020 -0.892 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.840 5.435 5.634 1.00 12.51 N ATOM 2447 CA LYS B 69 -5.242 4.944 6.983 1.00 15.38 C ATOM 2448 C LYS B 69 -4.004 4.438 7.727 1.00 15.02 C ATOM 2449 O LYS B 69 -2.931 4.337 7.167 1.00 15.36 O ATOM 2450 CB LYS B 69 -6.248 3.800 6.835 1.00 16.04 C ATOM 2451 CG LYS B 69 -7.487 4.301 6.089 1.00 20.35 C ATOM 2452 CD LYS B 69 -8.740 3.662 6.692 1.00 21.35 C ATOM 2453 CE LYS B 69 -9.290 2.608 5.729 1.00 30.24 C ATOM 2454 NZ LYS B 69 -10.742 2.401 5.996 1.00 32.70 N ATOM 0 H LYS B 69 -4.098 4.900 5.182 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.700 5.759 7.544 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -5.794 2.971 6.292 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -6.531 3.421 7.817 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -7.551 5.387 6.157 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -7.413 4.052 5.030 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -8.501 3.204 7.652 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -9.495 4.425 6.882 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -9.141 2.929 4.698 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -8.749 1.670 5.852 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -11.117 1.685 5.342 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -10.872 2.077 6.976 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -11.252 3.297 5.857 1.00 32.70 H new ATOM 2468 N VAL B 70 -4.144 4.122 8.985 1.00 13.65 N ATOM 2469 CA VAL B 70 -2.971 3.626 9.761 1.00 13.49 C ATOM 2470 C VAL B 70 -3.243 2.201 10.247 1.00 11.85 C ATOM 2471 O VAL B 70 -4.287 1.910 10.795 1.00 12.13 O ATOM 2472 CB VAL B 70 -2.720 4.532 10.967 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -1.217 4.611 11.242 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -3.262 5.938 10.688 1.00 15.63 C ATOM 0 H VAL B 70 -5.017 4.185 9.509 1.00 13.65 H new ATOM 0 HA VAL B 70 -2.092 3.633 9.117 1.00 13.49 H new ATOM 0 HB VAL B 70 -3.231 4.118 11.836 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -1.038 5.257 12.102 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -0.833 3.613 11.452 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -0.708 5.020 10.369 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -3.079 6.577 11.552 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -2.759 6.355 9.815 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -4.334 5.884 10.498 1.00 15.63 H new ATOM 2484 N GLY B 71 -2.308 1.310 10.052 1.00 11.15 N ATOM 2485 CA GLY B 71 -2.511 -0.096 10.505 1.00 11.07 C ATOM 2486 C GLY B 71 -2.168 -0.207 11.992 1.00 12.15 C ATOM 2487 O GLY B 71 -1.729 0.745 12.608 1.00 12.70 O ATOM 0 H GLY B 71 -1.413 1.495 9.599 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -3.544 -0.398 10.336 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -1.882 -0.771 9.924 1.00 11.07 H new ATOM 2491 N GLN B 72 -2.364 -1.358 12.578 1.00 15.78 N ATOM 2492 CA GLN B 72 -2.050 -1.517 14.024 1.00 19.42 C ATOM 2493 C GLN B 72 -0.567 -1.835 14.201 1.00 16.97 C ATOM 2494 O GLN B 72 -0.114 -2.173 15.277 1.00 20.46 O ATOM 2495 CB GLN B 72 -2.901 -2.641 14.612 1.00 22.64 C ATOM 2496 CG GLN B 72 -2.356 -3.986 14.143 1.00 25.29 C ATOM 2497 CD GLN B 72 -3.429 -4.725 13.345 1.00 26.29 C ATOM 2498 OE1 GLN B 72 -4.401 -5.196 13.900 1.00 26.22 O ATOM 2499 NE2 GLN B 72 -3.290 -4.846 12.053 1.00 25.15 N ATOM 0 H GLN B 72 -2.727 -2.192 12.117 1.00 15.78 H new ATOM 0 HA GLN B 72 -2.275 -0.587 14.547 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -2.888 -2.590 15.701 1.00 22.64 H new ATOM 0 HB3 GLN B 72 -3.939 -2.528 14.300 1.00 22.64 H new ATOM 0 HG2 GLN B 72 -1.470 -3.835 13.527 1.00 25.29 H new ATOM 0 HG3 GLN B 72 -2.050 -4.585 15.001 1.00 25.29 H new ATOM 0 HE21 GLN B 72 -2.473 -4.450 11.589 1.00 25.15 H new ATOM 0 HE22 GLN B 72 -3.999 -5.337 11.508 1.00 25.15 H new ATOM 2508 N PHE B 73 0.186 -1.728 13.151 1.00 14.56 N ATOM 2509 CA PHE B 73 1.641 -2.018 13.240 1.00 14.60 C ATOM 2510 C PHE B 73 2.429 -0.713 13.109 1.00 15.63 C ATOM 2511 O PHE B 73 3.637 -0.716 12.976 1.00 17.80 O ATOM 2512 CB PHE B 73 2.035 -2.967 12.109 1.00 12.63 C ATOM 2513 CG PHE B 73 3.509 -3.266 12.199 1.00 14.99 C ATOM 2514 CD1 PHE B 73 4.058 -3.725 13.403 1.00 16.27 C ATOM 2515 CD2 PHE B 73 4.331 -3.085 11.080 1.00 19.79 C ATOM 2516 CE1 PHE B 73 5.427 -4.003 13.488 1.00 20.44 C ATOM 2517 CE2 PHE B 73 5.701 -3.363 11.165 1.00 18.68 C ATOM 2518 CZ PHE B 73 6.249 -3.822 12.369 1.00 17.88 C ATOM 0 H PHE B 73 -0.144 -1.450 12.227 1.00 14.56 H new ATOM 0 HA PHE B 73 1.865 -2.481 14.201 1.00 14.60 H new ATOM 0 HB2 PHE B 73 1.460 -3.891 12.177 1.00 12.63 H new ATOM 0 HB3 PHE B 73 1.802 -2.517 11.144 1.00 12.63 H new ATOM 0 HD1 PHE B 73 3.424 -3.865 14.266 1.00 16.27 H new ATOM 0 HD2 PHE B 73 3.908 -2.731 10.151 1.00 19.79 H new ATOM 0 HE1 PHE B 73 5.849 -4.357 14.417 1.00 20.44 H new ATOM 0 HE2 PHE B 73 6.335 -3.223 10.302 1.00 18.68 H new ATOM 0 HZ PHE B 73 7.305 -4.036 12.435 1.00 17.88 H new ATOM 2528 N GLY B 74 1.754 0.404 13.143 1.00 13.82 N ATOM 2529 CA GLY B 74 2.464 1.708 13.018 1.00 13.44 C ATOM 2530 C GLY B 74 2.973 1.877 11.586 1.00 10.42 C ATOM 2531 O GLY B 74 4.156 1.796 11.324 1.00 13.62 O ATOM 0 H GLY B 74 0.742 0.469 13.252 1.00 13.82 H new ATOM 0 HA2 GLY B 74 1.791 2.526 13.275 1.00 13.44 H new ATOM 0 HA3 GLY B 74 3.298 1.749 13.719 1.00 13.44 H new ATOM 2535 N SER B 75 2.088 2.111 10.656 1.00 12.64 N ATOM 2536 CA SER B 75 2.523 2.285 9.241 1.00 12.47 C ATOM 2537 C SER B 75 1.379 2.884 8.419 1.00 12.47 C ATOM 2538 O SER B 75 0.365 2.253 8.198 1.00 11.32 O ATOM 2539 CB SER B 75 2.909 0.925 8.657 1.00 11.21 C ATOM 2540 OG SER B 75 3.705 0.218 9.600 1.00 18.27 O ATOM 0 H SER B 75 1.083 2.189 10.814 1.00 12.64 H new ATOM 0 HA SER B 75 3.382 2.956 9.208 1.00 12.47 H new ATOM 0 HB2 SER B 75 2.013 0.352 8.417 1.00 11.21 H new ATOM 0 HB3 SER B 75 3.460 1.059 7.726 1.00 11.21 H new ATOM 0 HG SER B 75 4.331 0.838 10.030 1.00 18.27 H new ATOM 2546 N LEU B 76 1.536 4.096 7.960 1.00 12.43 N ATOM 2547 CA LEU B 76 0.459 4.731 7.148 1.00 12.18 C ATOM 2548 C LEU B 76 0.355 4.013 5.801 1.00 12.07 C ATOM 2549 O LEU B 76 1.321 3.472 5.303 1.00 9.82 O ATOM 2550 CB LEU B 76 0.797 6.206 6.916 1.00 11.99 C ATOM 2551 CG LEU B 76 -0.494 7.009 6.754 1.00 8.87 C ATOM 2552 CD1 LEU B 76 -0.476 8.205 7.708 1.00 9.28 C ATOM 2553 CD2 LEU B 76 -0.606 7.508 5.311 1.00 7.80 C ATOM 0 H LEU B 76 2.363 4.673 8.112 1.00 12.43 H new ATOM 0 HA LEU B 76 -0.491 4.657 7.677 1.00 12.18 H new ATOM 0 HB2 LEU B 76 1.375 6.593 7.755 1.00 11.99 H new ATOM 0 HB3 LEU B 76 1.417 6.312 6.026 1.00 11.99 H new ATOM 0 HG LEU B 76 -1.348 6.373 6.987 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -1.397 8.777 7.592 1.00 9.28 H new ATOM 0 HD12 LEU B 76 -0.397 7.850 8.735 1.00 9.28 H new ATOM 0 HD13 LEU B 76 0.378 8.842 7.477 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -1.526 8.081 5.194 1.00 7.80 H new ATOM 0 HD22 LEU B 76 0.249 8.143 5.078 1.00 7.80 H new ATOM 0 HD23 LEU B 76 -0.620 6.656 4.631 1.00 7.80 H new ATOM 2565 N MET B 77 -0.808 3.999 5.208 1.00 14.08 N ATOM 2566 CA MET B 77 -0.960 3.310 3.895 1.00 14.12 C ATOM 2567 C MET B 77 -2.249 3.773 3.213 1.00 11.37 C ATOM 2568 O MET B 77 -3.273 3.942 3.845 1.00 11.44 O ATOM 2569 CB MET B 77 -1.020 1.797 4.119 1.00 16.48 C ATOM 2570 CG MET B 77 0.391 1.262 4.367 1.00 24.75 C ATOM 2571 SD MET B 77 0.542 -0.395 3.655 1.00 35.11 S ATOM 2572 CE MET B 77 1.245 0.106 2.064 1.00 33.86 C ATOM 0 H MET B 77 -1.656 4.433 5.574 1.00 14.08 H new ATOM 0 HA MET B 77 -0.108 3.554 3.260 1.00 14.12 H new ATOM 0 HB2 MET B 77 -1.661 1.570 4.970 1.00 16.48 H new ATOM 0 HB3 MET B 77 -1.459 1.307 3.250 1.00 16.48 H new ATOM 0 HG2 MET B 77 1.128 1.930 3.921 1.00 24.75 H new ATOM 0 HG3 MET B 77 0.596 1.230 5.437 1.00 24.75 H new ATOM 0 HE1 MET B 77 1.423 -0.777 1.450 1.00 33.86 H new ATOM 0 HE2 MET B 77 0.549 0.770 1.552 1.00 33.86 H new ATOM 0 HE3 MET B 77 2.188 0.627 2.231 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.205 3.976 1.925 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.426 4.426 1.196 1.00 11.62 C ATOM 2584 C ILE B 78 -4.473 3.308 1.193 1.00 11.45 C ATOM 2585 O ILE B 78 -4.157 2.146 1.025 1.00 12.59 O ATOM 2586 CB ILE B 78 -3.074 4.751 -0.252 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -2.139 5.961 -0.311 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -4.356 5.053 -1.031 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -0.877 5.588 -1.093 1.00 13.67 C ATOM 0 H ILE B 78 -1.376 3.850 1.345 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.821 5.310 1.696 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.568 3.894 -0.696 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.642 6.801 -0.790 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -1.875 6.280 0.697 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -4.106 5.286 -2.066 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -5.012 4.183 -1.003 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -4.864 5.906 -0.580 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.209 6.448 -1.137 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.372 4.761 -0.595 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.151 5.289 -2.105 1.00 13.67 H new ATOM 2601 N ASP B 79 -5.717 3.657 1.348 1.00 10.05 N ATOM 2602 CA ASP B 79 -6.801 2.631 1.326 1.00 14.79 C ATOM 2603 C ASP B 79 -7.617 2.818 0.043 1.00 15.20 C ATOM 2604 O ASP B 79 -8.318 1.933 -0.406 1.00 18.10 O ATOM 2605 CB ASP B 79 -7.709 2.815 2.545 1.00 12.21 C ATOM 2606 CG ASP B 79 -8.173 1.448 3.048 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -7.320 0.632 3.358 1.00 21.87 O ATOM 2608 OD2 ASP B 79 -9.373 1.239 3.116 1.00 24.06 O ATOM 0 H ASP B 79 -6.035 4.616 1.490 1.00 10.05 H new ATOM 0 HA ASP B 79 -6.371 1.630 1.355 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -7.173 3.342 3.334 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -8.570 3.428 2.281 1.00 12.21 H new ATOM 2613 N ARG B 80 -7.509 3.976 -0.544 1.00 17.08 N ATOM 2614 CA ARG B 80 -8.238 4.287 -1.802 1.00 17.14 C ATOM 2615 C ARG B 80 -8.011 5.764 -2.092 1.00 14.98 C ATOM 2616 O ARG B 80 -8.900 6.584 -1.987 1.00 16.47 O ATOM 2617 CB ARG B 80 -9.733 4.006 -1.635 1.00 17.78 C ATOM 2618 CG ARG B 80 -10.452 4.282 -2.957 1.00 22.76 C ATOM 2619 CD ARG B 80 -10.873 2.957 -3.596 1.00 28.43 C ATOM 2620 NE ARG B 80 -10.100 2.745 -4.853 1.00 33.10 N ATOM 2621 CZ ARG B 80 -10.073 1.566 -5.416 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -10.729 0.569 -4.885 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -9.390 1.384 -6.513 1.00 35.04 N ATOM 0 H ARG B 80 -6.930 4.739 -0.194 1.00 17.08 H new ATOM 0 HA ARG B 80 -7.876 3.667 -2.622 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -9.888 2.970 -1.333 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -10.146 4.634 -0.845 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -11.327 4.908 -2.783 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -9.796 4.831 -3.632 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -10.695 2.134 -2.904 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -11.942 2.968 -3.811 1.00 28.43 H new ATOM 0 HE ARG B 80 -9.591 3.522 -5.275 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -11.264 0.709 -4.028 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -10.706 -0.350 -5.327 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -8.878 2.161 -6.930 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -9.368 0.464 -6.953 1.00 35.04 H new ATOM 2637 N LEU B 81 -6.795 6.091 -2.414 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.406 7.500 -2.681 1.00 11.27 C ATOM 2639 C LEU B 81 -7.565 8.295 -3.296 1.00 15.61 C ATOM 2640 O LEU B 81 -8.054 7.987 -4.363 1.00 18.56 O ATOM 2641 CB LEU B 81 -5.179 7.501 -3.596 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.592 7.644 -5.057 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -4.335 7.760 -5.923 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -6.389 6.402 -5.476 1.00 18.72 C ATOM 0 H LEU B 81 -6.032 5.420 -2.506 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.158 7.993 -1.741 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.515 8.320 -3.320 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.618 6.576 -3.461 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.208 8.534 -5.185 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -4.622 7.863 -6.969 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -3.762 8.635 -5.617 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -3.725 6.865 -5.800 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -6.688 6.497 -6.520 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -5.769 5.514 -5.355 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -7.277 6.312 -4.851 1.00 18.72 H new ATOM 2656 N ARG B 82 -7.992 9.332 -2.627 1.00 13.37 N ATOM 2657 CA ARG B 82 -9.096 10.166 -3.168 1.00 12.72 C ATOM 2658 C ARG B 82 -8.477 11.263 -4.028 1.00 13.33 C ATOM 2659 O ARG B 82 -7.818 12.152 -3.534 1.00 13.27 O ATOM 2660 CB ARG B 82 -9.882 10.794 -2.014 1.00 13.85 C ATOM 2661 CG ARG B 82 -11.250 10.119 -1.901 1.00 16.22 C ATOM 2662 CD ARG B 82 -12.336 11.184 -1.745 1.00 16.62 C ATOM 2663 NE ARG B 82 -13.584 10.724 -2.418 1.00 15.85 N ATOM 2664 CZ ARG B 82 -14.720 11.317 -2.169 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -14.769 12.319 -1.333 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -15.810 10.906 -2.758 1.00 16.89 N ATOM 0 H ARG B 82 -7.621 9.636 -1.727 1.00 13.37 H new ATOM 0 HA ARG B 82 -9.777 9.557 -3.762 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -9.331 10.681 -1.081 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -10.005 11.864 -2.184 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -11.443 9.515 -2.788 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -11.264 9.443 -1.046 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -12.528 11.371 -0.688 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -12.002 12.126 -2.180 1.00 16.62 H new ATOM 0 HE ARG B 82 -13.550 9.944 -3.075 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -13.918 12.641 -0.872 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -15.658 12.780 -1.141 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -15.773 10.123 -3.411 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -16.699 11.368 -2.565 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.652 11.194 -5.312 1.00 13.53 N ATOM 2681 CA LEU B 83 -8.037 12.226 -6.190 1.00 13.86 C ATOM 2682 C LEU B 83 -8.895 13.485 -6.241 1.00 13.02 C ATOM 2683 O LEU B 83 -10.109 13.437 -6.235 1.00 14.40 O ATOM 2684 CB LEU B 83 -7.878 11.683 -7.606 1.00 9.93 C ATOM 2685 CG LEU B 83 -6.435 11.869 -8.072 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -6.361 11.637 -9.583 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -5.980 13.294 -7.751 1.00 10.58 C ATOM 0 H LEU B 83 -9.191 10.473 -5.793 1.00 13.53 H new ATOM 0 HA LEU B 83 -7.061 12.476 -5.774 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -8.145 10.627 -7.632 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -8.558 12.201 -8.282 1.00 9.93 H new ATOM 0 HG LEU B 83 -5.787 11.157 -7.561 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -5.333 11.768 -9.921 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -6.692 10.624 -9.812 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -7.005 12.353 -10.093 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -4.951 13.431 -8.082 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -6.624 14.006 -8.266 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -6.040 13.462 -6.676 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.252 14.615 -6.302 1.00 11.81 N ATOM 2700 CA VAL B 84 -8.973 15.903 -6.367 1.00 12.86 C ATOM 2701 C VAL B 84 -8.178 16.844 -7.280 1.00 14.98 C ATOM 2702 O VAL B 84 -6.999 16.639 -7.485 1.00 13.59 O ATOM 2703 CB VAL B 84 -9.046 16.483 -4.954 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -9.529 15.403 -3.984 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -7.656 16.966 -4.528 1.00 17.34 C ATOM 0 H VAL B 84 -7.235 14.696 -6.309 1.00 11.81 H new ATOM 0 HA VAL B 84 -9.982 15.775 -6.759 1.00 12.86 H new ATOM 0 HB VAL B 84 -9.742 17.322 -4.941 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -9.581 15.816 -2.977 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -10.518 15.058 -4.287 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -8.833 14.565 -3.997 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -7.707 17.380 -3.521 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -6.960 16.127 -4.541 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -7.311 17.735 -5.219 1.00 17.34 H new ATOM 2715 N PRO B 85 -8.829 17.854 -7.788 1.00 18.65 N ATOM 2716 CA PRO B 85 -8.179 18.844 -8.663 1.00 22.41 C ATOM 2717 C PRO B 85 -7.086 19.601 -7.895 1.00 25.70 C ATOM 2718 O PRO B 85 -7.183 19.802 -6.701 1.00 22.08 O ATOM 2719 CB PRO B 85 -9.328 19.748 -9.112 1.00 21.19 C ATOM 2720 CG PRO B 85 -10.451 19.539 -8.084 1.00 18.95 C ATOM 2721 CD PRO B 85 -10.251 18.119 -7.530 1.00 20.63 C ATOM 0 HA PRO B 85 -7.666 18.404 -9.518 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -9.015 20.792 -9.143 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -9.663 19.486 -10.116 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -10.395 20.281 -7.288 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -11.431 19.643 -8.549 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -10.484 18.065 -6.467 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -10.893 17.396 -8.034 1.00 20.63 H new ATOM 2729 N ALA B 86 -6.035 20.002 -8.566 1.00 31.74 N ATOM 2730 CA ALA B 86 -4.928 20.721 -7.867 1.00 39.94 C ATOM 2731 C ALA B 86 -5.363 22.154 -7.554 1.00 46.96 C ATOM 2732 O ALA B 86 -5.656 22.931 -8.441 1.00 49.29 O ATOM 2733 CB ALA B 86 -3.688 20.743 -8.766 1.00 39.70 C ATOM 0 H ALA B 86 -5.897 19.862 -9.567 1.00 31.74 H new ATOM 0 HA ALA B 86 -4.691 20.207 -6.936 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -2.879 21.267 -8.257 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -3.378 19.721 -8.983 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -3.924 21.256 -9.698 1.00 39.70 H new ATOM 2739 N LYS B 87 -5.407 22.509 -6.299 1.00 51.78 N ATOM 2740 CA LYS B 87 -5.823 23.892 -5.930 1.00 55.12 C ATOM 2741 C LYS B 87 -4.835 24.468 -4.914 1.00 55.82 C ATOM 2742 O LYS B 87 -3.959 23.733 -4.487 1.00 58.05 O ATOM 2743 CB LYS B 87 -7.224 23.854 -5.315 1.00 52.96 C ATOM 2744 CG LYS B 87 -7.161 23.187 -3.940 1.00 55.49 C ATOM 2745 CD LYS B 87 -8.555 22.697 -3.544 1.00 56.64 C ATOM 2746 CE LYS B 87 -8.732 22.830 -2.031 1.00 58.91 C ATOM 2747 NZ LYS B 87 -8.824 21.473 -1.420 1.00 58.16 N ATOM 2748 OXT LYS B 87 -4.970 25.633 -4.581 1.00 57.66 O ATOM 0 H LYS B 87 -5.173 21.902 -5.514 1.00 51.78 H new ATOM 0 HA LYS B 87 -5.833 24.519 -6.821 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -7.619 24.866 -5.222 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -7.904 23.305 -5.966 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -6.463 22.350 -3.962 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -6.788 23.894 -3.198 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -9.317 23.279 -4.062 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -8.686 21.658 -3.846 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -7.892 23.377 -1.603 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -9.632 23.403 -1.808 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -8.944 21.563 -0.391 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -9.639 20.966 -1.821 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -7.953 20.942 -1.621 1.00 58.16 H new TER 2762 LYS B 87