USER MOD reduce.3.24.130724 H: found=0, std=0, add=1644, rem=0, adj=77 USER MOD reduce.3.24.130724 removed 1644 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: A 22 GLN : amide:sc= -0.683 X(o=-0.86,f=-0.74) USER MOD Set 1.2: B 92 HIS : no HD1:sc= -0.172 X(o=-0.86,f=-0.48) USER MOD Set 2.1: A 92 HIS : no HD1:sc= -0.183 X(o=-0.81,f=-0.42) USER MOD Set 2.2: B 22 GLN : amide:sc= -0.623 X(o=-0.81,f=-0.52) USER MOD Set 3.1: A 13 CYS SG : rot 75:sc= -6.46! USER MOD Set 3.2: B 13 CYS SG : rot 50:sc= -6.43! USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0946 (180deg=-0.51) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00485) USER MOD Single : A 3 LYS NZ :NH3+ -166:sc= -0.0445 (180deg=-0.241) USER MOD Single : A 5 SER OG : rot 180:sc= -0.115 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0668 USER MOD Single : A 8 THR OG1 : rot -126:sc= 1.35 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 31:sc= 0.927 USER MOD Single : A 23 LYS NZ :NH3+ -166:sc= 1.28 (180deg=1.18) USER MOD Single : A 24 TYR OH : rot -136:sc= 1.22 USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= -0.11 (180deg=-0.499) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0286 USER MOD Single : A 36 LYS NZ :NH3+ -142:sc= 0.968 (180deg=0.119) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 148:sc= -0.356 (180deg=-2.18!) USER MOD Single : A 44 ASN : amide:sc= -0.0996 K(o=-0.1,f=-3.7!) USER MOD Single : A 45 THR OG1 : rot -80:sc= -1.74! USER MOD Single : A 51 THR OG1 : rot 136:sc= 1 USER MOD Single : A 52 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.105) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 54 GLN :FLIP amide:sc=-0.00455 F(o=-0.81,f=-0.0046) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -165:sc= -0.038 (180deg=-0.322) USER MOD Single : A 64 MET CE :methyl 170:sc= -1.23 (180deg=-1.24) USER MOD Single : A 65 LYS NZ :NH3+ 148:sc= 0.706 (180deg=-0.237) USER MOD Single : A 66 LYS NZ :NH3+ 166:sc= -0.0425 (180deg=-0.222) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0.062) USER MOD Single : A 71 SER OG : rot -15:sc= 0.075 USER MOD Single : A 74 GLN :FLIP amide:sc= -1.04 F(o=-1.6,f=-1) USER MOD Single : A 78 SER OG : rot -51:sc= 1.2 USER MOD Single : A 82 ASN : amide:sc= 1.17 K(o=1.2,f=-0.05) USER MOD Single : A 89 MET CE :methyl 180:sc= -0.596 (180deg=-0.596) USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 90:sc= 1.26 USER MOD Single : A 97 LYS NZ :NH3+ 154:sc= 1.28 (180deg=1.07) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0.601 K(o=0.6,f=0) USER MOD Single : A 103 LYS NZ :NH3+ -162:sc= -0.0394 (180deg=-0.373) USER MOD Single : A 105 THR OG1 : rot 48:sc= 0.104 USER MOD Single : B 1 MET CE :methyl -164:sc= -0.0894 (180deg=-0.453) USER MOD Single : B 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00501) USER MOD Single : B 3 LYS NZ :NH3+ -166:sc= -0.0532 (180deg=-0.265) USER MOD Single : B 5 SER OG : rot 180:sc= -0.195 USER MOD Single : B 6 SER OG : rot 180:sc= -0.0728 USER MOD Single : B 8 THR OG1 : rot -131:sc= 1.29 USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 SER OG : rot 29:sc= 0.828 USER MOD Single : B 23 LYS NZ :NH3+ -177:sc= 1.35 (180deg=1.18) USER MOD Single : B 24 TYR OH : rot -133:sc= 1.26 USER MOD Single : B 27 LYS NZ :NH3+ -127:sc= -0.0729 (180deg=-0.524) USER MOD Single : B 30 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 ASN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 SER OG : rot 180:sc= -0.0293 USER MOD Single : B 36 LYS NZ :NH3+ -143:sc= 0.957 (180deg=0.128) USER MOD Single : B 37 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 43 MET CE :methyl 148:sc= -0.343 (180deg=-2.24!) USER MOD Single : B 44 ASN : amide:sc= -0.0561 K(o=-0.056,f=-3.7!) USER MOD Single : B 45 THR OG1 : rot -90:sc= -1.71! USER MOD Single : B 51 THR OG1 : rot 135:sc= 0.955 USER MOD Single : B 52 LYS NZ :NH3+ 169:sc= -0.0136 (180deg=-0.128) USER MOD Single : B 53 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : B 54 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 MET CE :methyl -166:sc= -0.0461 (180deg=-0.303) USER MOD Single : B 64 MET CE :methyl 173:sc= -1.14 (180deg=-1.22) USER MOD Single : B 65 LYS NZ :NH3+ 148:sc= 0.767 (180deg=-0.168) USER MOD Single : B 66 LYS NZ :NH3+ 166:sc= -0.0443 (180deg=-0.212) USER MOD Single : B 69 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : B 71 SER OG : rot -13:sc= 0.0875 USER MOD Single : B 74 GLN :FLIP amide:sc= -1.09 F(o=-1.7,f=-1.1) USER MOD Single : B 78 SER OG : rot -44:sc= 1.25 USER MOD Single : B 82 ASN : amide:sc= 1.1 K(o=1.1,f=-0.051) USER MOD Single : B 89 MET CE :methyl -175:sc= -0.659 (180deg=-0.73) USER MOD Single : B 91 CYS SG : rot 180:sc= 0 USER MOD Single : B 94 SER OG : rot 109:sc= 1.27 USER MOD Single : B 97 LYS NZ :NH3+ -170:sc= 1.26 (180deg=1.2) USER MOD Single : B 101 SER OG : rot 180:sc= 0 USER MOD Single : B 102 GLN : amide:sc= 0.616 K(o=0.62,f=0) USER MOD Single : B 103 LYS NZ :NH3+ -162:sc= -0.0388 (180deg=-0.395) USER MOD Single : B 105 THR OG1 : rot 48:sc= 0.124 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.541 23.799 11.141 1.00 7.63 N ATOM 2 CA MET A 1 -8.654 23.946 10.173 1.00 7.05 C ATOM 3 C MET A 1 -9.299 22.598 9.886 1.00 6.84 C ATOM 4 O MET A 1 -10.452 22.366 10.252 1.00 7.12 O ATOM 5 CB MET A 1 -8.160 24.580 8.870 1.00 7.11 C ATOM 6 CG MET A 1 -7.734 26.028 9.022 1.00 7.39 C ATOM 7 SD MET A 1 -9.051 27.073 9.677 1.00 7.66 S ATOM 8 CE MET A 1 -10.295 26.902 8.400 1.00 7.91 C ATOM 0 H1 MET A 1 -7.136 24.734 11.349 1.00 7.63 H new ATOM 0 H2 MET A 1 -7.899 23.373 12.020 1.00 7.63 H new ATOM 0 H3 MET A 1 -6.806 23.186 10.734 1.00 7.63 H new ATOM 0 HA MET A 1 -9.401 24.603 10.618 1.00 7.05 H new ATOM 0 HB2 MET A 1 -7.319 24.001 8.490 1.00 7.11 H new ATOM 0 HB3 MET A 1 -8.952 24.519 8.123 1.00 7.11 H new ATOM 0 HG2 MET A 1 -6.870 26.081 9.684 1.00 7.39 H new ATOM 0 HG3 MET A 1 -7.417 26.413 8.053 1.00 7.39 H new ATOM 0 HE1 MET A 1 -11.038 27.692 8.508 1.00 7.91 H new ATOM 0 HE2 MET A 1 -9.824 26.979 7.420 1.00 7.91 H new ATOM 0 HE3 MET A 1 -10.781 25.931 8.493 1.00 7.91 H new ATOM 20 N ALA A 2 -8.557 21.707 9.240 1.00 6.67 N ATOM 21 CA ALA A 2 -9.064 20.380 8.929 1.00 6.74 C ATOM 22 C ALA A 2 -9.182 19.544 10.195 1.00 6.14 C ATOM 23 O ALA A 2 -8.242 19.468 10.990 1.00 6.28 O ATOM 24 CB ALA A 2 -8.166 19.688 7.915 1.00 7.31 C ATOM 0 H ALA A 2 -7.603 21.881 8.922 1.00 6.67 H new ATOM 0 HA ALA A 2 -10.057 20.486 8.492 1.00 6.74 H new ATOM 0 HB1 ALA A 2 -8.562 18.697 7.695 1.00 7.31 H new ATOM 0 HB2 ALA A 2 -8.132 20.276 6.998 1.00 7.31 H new ATOM 0 HB3 ALA A 2 -7.160 19.594 8.324 1.00 7.31 H new ATOM 30 N LYS A 3 -10.340 18.932 10.387 1.00 5.79 N ATOM 31 CA LYS A 3 -10.582 18.116 11.565 1.00 5.52 C ATOM 32 C LYS A 3 -9.899 16.760 11.424 1.00 5.00 C ATOM 33 O LYS A 3 -10.505 15.784 10.974 1.00 5.14 O ATOM 34 CB LYS A 3 -12.087 17.936 11.794 1.00 6.00 C ATOM 35 CG LYS A 3 -12.430 17.138 13.046 1.00 6.27 C ATOM 36 CD LYS A 3 -11.919 17.813 14.308 1.00 6.96 C ATOM 37 CE LYS A 3 -12.267 17.009 15.554 1.00 7.45 C ATOM 38 NZ LYS A 3 -13.733 16.806 15.701 1.00 7.92 N ATOM 0 H LYS A 3 -11.128 18.985 9.741 1.00 5.79 H new ATOM 0 HA LYS A 3 -10.160 18.627 12.430 1.00 5.52 H new ATOM 0 HB2 LYS A 3 -12.554 18.918 11.862 1.00 6.00 H new ATOM 0 HB3 LYS A 3 -12.519 17.437 10.927 1.00 6.00 H new ATOM 0 HG2 LYS A 3 -13.511 17.015 13.113 1.00 6.27 H new ATOM 0 HG3 LYS A 3 -12.000 16.140 12.969 1.00 6.27 H new ATOM 0 HD2 LYS A 3 -10.838 17.935 14.244 1.00 6.96 H new ATOM 0 HD3 LYS A 3 -12.349 18.812 14.387 1.00 6.96 H new ATOM 0 HE2 LYS A 3 -11.771 16.040 15.509 1.00 7.45 H new ATOM 0 HE3 LYS A 3 -11.883 17.523 16.435 1.00 7.45 H new ATOM 0 HZ1 LYS A 3 -13.942 16.470 16.663 1.00 7.92 H new ATOM 0 HZ2 LYS A 3 -14.227 17.706 15.533 1.00 7.92 H new ATOM 0 HZ3 LYS A 3 -14.057 16.100 15.010 1.00 7.92 H new ATOM 52 N ILE A 4 -8.632 16.714 11.793 1.00 4.74 N ATOM 53 CA ILE A 4 -7.873 15.479 11.755 1.00 4.41 C ATOM 54 C ILE A 4 -7.972 14.749 13.087 1.00 3.66 C ATOM 55 O ILE A 4 -8.329 15.342 14.108 1.00 3.90 O ATOM 56 CB ILE A 4 -6.389 15.724 11.375 1.00 5.14 C ATOM 57 CG1 ILE A 4 -5.752 16.838 12.223 1.00 5.77 C ATOM 58 CG2 ILE A 4 -6.276 16.062 9.896 1.00 5.58 C ATOM 59 CD1 ILE A 4 -5.316 16.402 13.608 1.00 6.53 C ATOM 0 H ILE A 4 -8.105 17.522 12.124 1.00 4.74 H new ATOM 0 HA ILE A 4 -8.309 14.851 10.978 1.00 4.41 H new ATOM 0 HB ILE A 4 -5.842 14.804 11.580 1.00 5.14 H new ATOM 0 HG12 ILE A 4 -4.886 17.233 11.691 1.00 5.77 H new ATOM 0 HG13 ILE A 4 -6.466 17.656 12.321 1.00 5.77 H new ATOM 0 HG21 ILE A 4 -5.230 16.232 9.641 1.00 5.58 H new ATOM 0 HG22 ILE A 4 -6.665 15.234 9.303 1.00 5.58 H new ATOM 0 HG23 ILE A 4 -6.852 16.962 9.683 1.00 5.58 H new ATOM 0 HD11 ILE A 4 -4.878 17.250 14.135 1.00 6.53 H new ATOM 0 HD12 ILE A 4 -6.180 16.036 14.163 1.00 6.53 H new ATOM 0 HD13 ILE A 4 -4.576 15.606 13.523 1.00 6.53 H new ATOM 71 N SER A 5 -7.686 13.461 13.069 1.00 3.24 N ATOM 72 CA SER A 5 -7.745 12.642 14.268 1.00 2.93 C ATOM 73 C SER A 5 -6.809 11.448 14.121 1.00 2.01 C ATOM 74 O SER A 5 -5.905 11.472 13.277 1.00 2.25 O ATOM 75 CB SER A 5 -9.183 12.163 14.507 1.00 3.70 C ATOM 76 OG SER A 5 -10.079 13.260 14.606 1.00 4.46 O ATOM 0 H SER A 5 -7.408 12.954 12.229 1.00 3.24 H new ATOM 0 HA SER A 5 -7.429 13.237 15.125 1.00 2.93 H new ATOM 0 HB2 SER A 5 -9.492 11.510 13.691 1.00 3.70 H new ATOM 0 HB3 SER A 5 -9.225 11.572 15.422 1.00 3.70 H new ATOM 0 HG SER A 5 -10.988 12.927 14.757 1.00 4.46 H new ATOM 82 N SER A 6 -7.001 10.429 14.950 1.00 1.51 N ATOM 83 CA SER A 6 -6.275 9.179 14.798 1.00 1.03 C ATOM 84 C SER A 6 -6.592 8.590 13.426 1.00 0.82 C ATOM 85 O SER A 6 -7.746 8.603 12.994 1.00 0.85 O ATOM 86 CB SER A 6 -6.677 8.201 15.910 1.00 1.67 C ATOM 87 OG SER A 6 -5.834 7.059 15.932 1.00 2.25 O ATOM 0 H SER A 6 -7.654 10.446 15.734 1.00 1.51 H new ATOM 0 HA SER A 6 -5.203 9.360 14.875 1.00 1.03 H new ATOM 0 HB2 SER A 6 -6.630 8.707 16.874 1.00 1.67 H new ATOM 0 HB3 SER A 6 -7.711 7.888 15.764 1.00 1.67 H new ATOM 0 HG SER A 6 -6.116 6.458 16.653 1.00 2.25 H new ATOM 93 N PRO A 7 -5.580 8.079 12.715 1.00 0.69 N ATOM 94 CA PRO A 7 -5.760 7.564 11.361 1.00 0.54 C ATOM 95 C PRO A 7 -6.491 6.240 11.372 1.00 0.44 C ATOM 96 O PRO A 7 -6.618 5.590 12.414 1.00 0.56 O ATOM 97 CB PRO A 7 -4.328 7.356 10.884 1.00 0.61 C ATOM 98 CG PRO A 7 -3.624 6.982 12.128 1.00 0.75 C ATOM 99 CD PRO A 7 -4.187 7.908 13.172 1.00 0.82 C ATOM 0 HA PRO A 7 -6.348 8.232 10.731 1.00 0.54 H new ATOM 0 HB2 PRO A 7 -4.262 6.572 10.130 1.00 0.61 H new ATOM 0 HB3 PRO A 7 -3.913 8.261 10.440 1.00 0.61 H new ATOM 0 HG2 PRO A 7 -3.802 5.938 12.386 1.00 0.75 H new ATOM 0 HG3 PRO A 7 -2.546 7.106 12.027 1.00 0.75 H new ATOM 0 HD2 PRO A 7 -4.136 7.475 14.171 1.00 0.82 H new ATOM 0 HD3 PRO A 7 -3.650 8.856 13.208 1.00 0.82 H new ATOM 107 N THR A 8 -6.967 5.845 10.220 1.00 0.34 N ATOM 108 CA THR A 8 -7.624 4.573 10.082 1.00 0.27 C ATOM 109 C THR A 8 -6.615 3.481 9.806 1.00 0.28 C ATOM 110 O THR A 8 -5.420 3.750 9.715 1.00 0.35 O ATOM 111 CB THR A 8 -8.618 4.600 8.938 1.00 0.28 C ATOM 112 OG1 THR A 8 -7.904 4.789 7.711 1.00 0.36 O ATOM 113 CG2 THR A 8 -9.630 5.716 9.142 1.00 0.32 C ATOM 0 H THR A 8 -6.911 6.390 9.360 1.00 0.34 H new ATOM 0 HA THR A 8 -8.145 4.373 11.018 1.00 0.27 H new ATOM 0 HB THR A 8 -9.162 3.656 8.902 1.00 0.28 H new ATOM 0 HG1 THR A 8 -8.279 5.555 7.229 1.00 0.36 H new ATOM 0 HG21 THR A 8 -10.337 5.722 8.312 1.00 0.32 H new ATOM 0 HG22 THR A 8 -10.168 5.553 10.076 1.00 0.32 H new ATOM 0 HG23 THR A 8 -9.112 6.674 9.184 1.00 0.32 H new ATOM 121 N GLU A 9 -7.103 2.275 9.623 1.00 0.28 N ATOM 122 CA GLU A 9 -6.254 1.124 9.394 1.00 0.33 C ATOM 123 C GLU A 9 -5.429 1.285 8.110 1.00 0.36 C ATOM 124 O GLU A 9 -4.237 0.977 8.077 1.00 0.52 O ATOM 125 CB GLU A 9 -7.138 -0.109 9.329 1.00 0.40 C ATOM 126 CG GLU A 9 -6.385 -1.412 9.271 1.00 0.56 C ATOM 127 CD GLU A 9 -7.223 -2.560 9.789 1.00 1.73 C ATOM 128 OE1 GLU A 9 -8.283 -2.849 9.195 1.00 2.47 O ATOM 129 OE2 GLU A 9 -6.842 -3.157 10.814 1.00 2.48 O ATOM 0 H GLU A 9 -8.101 2.062 9.628 1.00 0.28 H new ATOM 0 HA GLU A 9 -5.540 1.025 10.211 1.00 0.33 H new ATOM 0 HB2 GLU A 9 -7.791 -0.119 10.202 1.00 0.40 H new ATOM 0 HB3 GLU A 9 -7.780 -0.035 8.451 1.00 0.40 H new ATOM 0 HG2 GLU A 9 -6.085 -1.614 8.243 1.00 0.56 H new ATOM 0 HG3 GLU A 9 -5.471 -1.332 9.860 1.00 0.56 H new ATOM 136 N THR A 10 -6.050 1.816 7.072 1.00 0.26 N ATOM 137 CA THR A 10 -5.371 1.996 5.798 1.00 0.27 C ATOM 138 C THR A 10 -4.538 3.264 5.819 1.00 0.27 C ATOM 139 O THR A 10 -3.468 3.318 5.229 1.00 0.31 O ATOM 140 CB THR A 10 -6.360 2.013 4.606 1.00 0.27 C ATOM 141 OG1 THR A 10 -5.773 2.653 3.466 1.00 0.40 O ATOM 142 CG2 THR A 10 -7.659 2.707 4.985 1.00 0.25 C ATOM 0 H THR A 10 -7.020 2.130 7.084 1.00 0.26 H new ATOM 0 HA THR A 10 -4.712 1.139 5.656 1.00 0.27 H new ATOM 0 HB THR A 10 -6.585 0.978 4.347 1.00 0.27 H new ATOM 0 HG1 THR A 10 -6.413 2.652 2.724 1.00 0.40 H new ATOM 0 HG21 THR A 10 -8.335 2.705 4.130 1.00 0.25 H new ATOM 0 HG22 THR A 10 -8.124 2.179 5.817 1.00 0.25 H new ATOM 0 HG23 THR A 10 -7.450 3.735 5.280 1.00 0.25 H new ATOM 150 N GLU A 11 -5.006 4.269 6.532 1.00 0.25 N ATOM 151 CA GLU A 11 -4.276 5.518 6.632 1.00 0.27 C ATOM 152 C GLU A 11 -2.982 5.348 7.417 1.00 0.30 C ATOM 153 O GLU A 11 -1.933 5.843 7.014 1.00 0.32 O ATOM 154 CB GLU A 11 -5.152 6.570 7.246 1.00 0.29 C ATOM 155 CG GLU A 11 -6.090 7.177 6.237 1.00 0.41 C ATOM 156 CD GLU A 11 -5.398 8.172 5.329 1.00 1.11 C ATOM 157 OE1 GLU A 11 -5.080 9.287 5.795 1.00 1.71 O ATOM 158 OE2 GLU A 11 -5.154 7.841 4.154 1.00 1.85 O ATOM 0 H GLU A 11 -5.885 4.246 7.049 1.00 0.25 H new ATOM 0 HA GLU A 11 -3.997 5.837 5.628 1.00 0.27 H new ATOM 0 HB2 GLU A 11 -5.729 6.132 8.061 1.00 0.29 H new ATOM 0 HB3 GLU A 11 -4.530 7.353 7.680 1.00 0.29 H new ATOM 0 HG2 GLU A 11 -6.532 6.384 5.633 1.00 0.41 H new ATOM 0 HG3 GLU A 11 -6.908 7.674 6.759 1.00 0.41 H new ATOM 165 N ARG A 12 -3.056 4.611 8.520 1.00 0.35 N ATOM 166 CA ARG A 12 -1.867 4.322 9.322 1.00 0.42 C ATOM 167 C ARG A 12 -0.909 3.460 8.518 1.00 0.43 C ATOM 168 O ARG A 12 0.305 3.586 8.636 1.00 0.47 O ATOM 169 CB ARG A 12 -2.236 3.641 10.657 1.00 0.48 C ATOM 170 CG ARG A 12 -3.034 2.348 10.522 1.00 0.49 C ATOM 171 CD ARG A 12 -2.150 1.126 10.314 1.00 0.56 C ATOM 172 NE ARG A 12 -1.816 0.472 11.577 1.00 1.08 N ATOM 173 CZ ARG A 12 -1.562 -0.833 11.695 1.00 1.35 C ATOM 174 NH1 ARG A 12 -1.523 -1.609 10.619 1.00 1.86 N ATOM 175 NH2 ARG A 12 -1.334 -1.362 12.887 1.00 1.95 N ATOM 0 H ARG A 12 -3.919 4.204 8.880 1.00 0.35 H new ATOM 0 HA ARG A 12 -1.378 5.264 9.569 1.00 0.42 H new ATOM 0 HB2 ARG A 12 -1.318 3.428 11.205 1.00 0.48 H new ATOM 0 HB3 ARG A 12 -2.811 4.344 11.259 1.00 0.48 H new ATOM 0 HG2 ARG A 12 -3.639 2.205 11.418 1.00 0.49 H new ATOM 0 HG3 ARG A 12 -3.724 2.438 9.683 1.00 0.49 H new ATOM 0 HD2 ARG A 12 -2.659 0.417 9.662 1.00 0.56 H new ATOM 0 HD3 ARG A 12 -1.233 1.424 9.806 1.00 0.56 H new ATOM 0 HE ARG A 12 -1.774 1.047 12.419 1.00 1.08 H new ATOM 0 HH11 ARG A 12 -1.688 -1.209 9.695 1.00 1.86 H new ATOM 0 HH12 ARG A 12 -1.328 -2.606 10.716 1.00 1.86 H new ATOM 0 HH21 ARG A 12 -1.352 -0.772 13.719 1.00 1.95 H new ATOM 0 HH22 ARG A 12 -1.140 -2.360 12.974 1.00 1.95 H new ATOM 189 N CYS A 13 -1.485 2.591 7.692 1.00 0.42 N ATOM 190 CA CYS A 13 -0.728 1.764 6.768 1.00 0.44 C ATOM 191 C CYS A 13 0.025 2.649 5.790 1.00 0.30 C ATOM 192 O CYS A 13 1.203 2.437 5.490 1.00 0.29 O ATOM 193 CB CYS A 13 -1.699 0.853 6.007 1.00 0.57 C ATOM 194 SG CYS A 13 -1.703 1.114 4.221 1.00 2.16 S ATOM 0 H CYS A 13 -2.493 2.443 7.647 1.00 0.42 H new ATOM 0 HA CYS A 13 -0.010 1.156 7.318 1.00 0.44 H new ATOM 0 HB2 CYS A 13 -1.442 -0.186 6.211 1.00 0.57 H new ATOM 0 HB3 CYS A 13 -2.707 1.013 6.390 1.00 0.57 H new ATOM 0 HG CYS A 13 -0.629 0.595 3.704 1.00 2.16 H new ATOM 200 N ILE A 14 -0.666 3.665 5.335 1.00 0.26 N ATOM 201 CA ILE A 14 -0.157 4.563 4.336 1.00 0.24 C ATOM 202 C ILE A 14 0.983 5.411 4.880 1.00 0.21 C ATOM 203 O ILE A 14 1.978 5.654 4.192 1.00 0.23 O ATOM 204 CB ILE A 14 -1.303 5.448 3.822 1.00 0.24 C ATOM 205 CG1 ILE A 14 -2.205 4.632 2.895 1.00 0.25 C ATOM 206 CG2 ILE A 14 -0.775 6.686 3.129 1.00 0.27 C ATOM 207 CD1 ILE A 14 -3.497 5.330 2.556 1.00 0.27 C ATOM 0 H ILE A 14 -1.608 3.892 5.654 1.00 0.26 H new ATOM 0 HA ILE A 14 0.247 3.978 3.509 1.00 0.24 H new ATOM 0 HB ILE A 14 -1.892 5.789 4.673 1.00 0.24 H new ATOM 0 HG12 ILE A 14 -1.665 4.414 1.974 1.00 0.25 H new ATOM 0 HG13 ILE A 14 -2.430 3.676 3.367 1.00 0.25 H new ATOM 0 HG21 ILE A 14 -1.611 7.291 2.777 1.00 0.27 H new ATOM 0 HG22 ILE A 14 -0.176 7.268 3.830 1.00 0.27 H new ATOM 0 HG23 ILE A 14 -0.157 6.392 2.280 1.00 0.27 H new ATOM 0 HD11 ILE A 14 -4.090 4.697 1.896 1.00 0.27 H new ATOM 0 HD12 ILE A 14 -4.056 5.524 3.471 1.00 0.27 H new ATOM 0 HD13 ILE A 14 -3.280 6.274 2.056 1.00 0.27 H new ATOM 219 N GLU A 15 0.864 5.820 6.130 1.00 0.24 N ATOM 220 CA GLU A 15 1.851 6.690 6.723 1.00 0.28 C ATOM 221 C GLU A 15 3.049 5.877 7.160 1.00 0.30 C ATOM 222 O GLU A 15 4.159 6.396 7.256 1.00 0.34 O ATOM 223 CB GLU A 15 1.265 7.449 7.903 1.00 0.32 C ATOM 224 CG GLU A 15 -0.006 8.208 7.562 1.00 0.33 C ATOM 225 CD GLU A 15 -0.542 8.996 8.736 1.00 0.38 C ATOM 226 OE1 GLU A 15 -1.277 8.423 9.565 1.00 1.26 O ATOM 227 OE2 GLU A 15 -0.223 10.196 8.843 1.00 1.06 O ATOM 0 H GLU A 15 0.095 5.562 6.749 1.00 0.24 H new ATOM 0 HA GLU A 15 2.167 7.420 5.978 1.00 0.28 H new ATOM 0 HB2 GLU A 15 1.054 6.746 8.709 1.00 0.32 H new ATOM 0 HB3 GLU A 15 2.009 8.151 8.279 1.00 0.32 H new ATOM 0 HG2 GLU A 15 0.192 8.887 6.733 1.00 0.33 H new ATOM 0 HG3 GLU A 15 -0.766 7.504 7.224 1.00 0.33 H new ATOM 234 N SER A 16 2.832 4.592 7.412 1.00 0.31 N ATOM 235 CA SER A 16 3.936 3.720 7.739 1.00 0.38 C ATOM 236 C SER A 16 4.791 3.458 6.507 1.00 0.29 C ATOM 237 O SER A 16 5.995 3.251 6.612 1.00 0.28 O ATOM 238 CB SER A 16 3.452 2.415 8.385 1.00 0.54 C ATOM 239 OG SER A 16 2.300 1.894 7.754 1.00 0.97 O ATOM 0 H SER A 16 1.916 4.143 7.395 1.00 0.31 H new ATOM 0 HA SER A 16 4.559 4.224 8.478 1.00 0.38 H new ATOM 0 HB2 SER A 16 4.251 1.675 8.344 1.00 0.54 H new ATOM 0 HB3 SER A 16 3.236 2.593 9.439 1.00 0.54 H new ATOM 0 HG SER A 16 2.310 2.135 6.804 1.00 0.97 H new ATOM 245 N LEU A 17 4.173 3.502 5.336 1.00 0.27 N ATOM 246 CA LEU A 17 4.918 3.413 4.091 1.00 0.28 C ATOM 247 C LEU A 17 5.707 4.682 3.883 1.00 0.27 C ATOM 248 O LEU A 17 6.854 4.646 3.461 1.00 0.32 O ATOM 249 CB LEU A 17 3.979 3.196 2.919 1.00 0.29 C ATOM 250 CG LEU A 17 3.148 1.930 3.028 1.00 0.33 C ATOM 251 CD1 LEU A 17 2.122 1.846 1.909 1.00 0.33 C ATOM 252 CD2 LEU A 17 4.070 0.722 3.017 1.00 0.46 C ATOM 0 H LEU A 17 3.164 3.598 5.223 1.00 0.27 H new ATOM 0 HA LEU A 17 5.599 2.564 4.151 1.00 0.28 H new ATOM 0 HB2 LEU A 17 3.310 4.053 2.837 1.00 0.29 H new ATOM 0 HB3 LEU A 17 4.563 3.159 1.999 1.00 0.29 H new ATOM 0 HG LEU A 17 2.596 1.949 3.967 1.00 0.33 H new ATOM 0 HD11 LEU A 17 1.543 0.929 2.015 1.00 0.33 H new ATOM 0 HD12 LEU A 17 1.454 2.705 1.963 1.00 0.33 H new ATOM 0 HD13 LEU A 17 2.633 1.844 0.946 1.00 0.33 H new ATOM 0 HD21 LEU A 17 3.477 -0.189 3.095 1.00 0.46 H new ATOM 0 HD22 LEU A 17 4.638 0.706 2.087 1.00 0.46 H new ATOM 0 HD23 LEU A 17 4.757 0.781 3.861 1.00 0.46 H new ATOM 264 N ILE A 18 5.073 5.807 4.192 1.00 0.27 N ATOM 265 CA ILE A 18 5.744 7.088 4.180 1.00 0.30 C ATOM 266 C ILE A 18 6.955 7.031 5.091 1.00 0.28 C ATOM 267 O ILE A 18 8.028 7.504 4.741 1.00 0.30 O ATOM 268 CB ILE A 18 4.799 8.220 4.643 1.00 0.36 C ATOM 269 CG1 ILE A 18 3.704 8.450 3.600 1.00 0.63 C ATOM 270 CG2 ILE A 18 5.576 9.502 4.906 1.00 0.47 C ATOM 271 CD1 ILE A 18 2.701 9.509 3.995 1.00 1.37 C ATOM 0 H ILE A 18 4.088 5.851 4.455 1.00 0.27 H new ATOM 0 HA ILE A 18 6.055 7.303 3.158 1.00 0.30 H new ATOM 0 HB ILE A 18 4.329 7.919 5.579 1.00 0.36 H new ATOM 0 HG12 ILE A 18 4.168 8.736 2.656 1.00 0.63 H new ATOM 0 HG13 ILE A 18 3.178 7.511 3.425 1.00 0.63 H new ATOM 0 HG21 ILE A 18 4.889 10.284 5.231 1.00 0.47 H new ATOM 0 HG22 ILE A 18 6.318 9.325 5.685 1.00 0.47 H new ATOM 0 HG23 ILE A 18 6.078 9.817 3.991 1.00 0.47 H new ATOM 0 HD11 ILE A 18 1.956 9.616 3.207 1.00 1.37 H new ATOM 0 HD12 ILE A 18 2.209 9.216 4.922 1.00 1.37 H new ATOM 0 HD13 ILE A 18 3.214 10.460 4.141 1.00 1.37 H new ATOM 283 N ALA A 19 6.772 6.411 6.245 1.00 0.25 N ATOM 284 CA ALA A 19 7.836 6.281 7.215 1.00 0.25 C ATOM 285 C ALA A 19 8.989 5.436 6.674 1.00 0.23 C ATOM 286 O ALA A 19 10.098 5.948 6.533 1.00 0.28 O ATOM 287 CB ALA A 19 7.294 5.706 8.510 1.00 0.28 C ATOM 0 H ALA A 19 5.888 5.989 6.530 1.00 0.25 H new ATOM 0 HA ALA A 19 8.236 7.275 7.417 1.00 0.25 H new ATOM 0 HB1 ALA A 19 8.104 5.612 9.234 1.00 0.28 H new ATOM 0 HB2 ALA A 19 6.526 6.368 8.909 1.00 0.28 H new ATOM 0 HB3 ALA A 19 6.862 4.723 8.319 1.00 0.28 H new ATOM 293 N VAL A 20 8.734 4.161 6.337 1.00 0.20 N ATOM 294 CA VAL A 20 9.809 3.282 5.867 1.00 0.22 C ATOM 295 C VAL A 20 10.428 3.841 4.606 1.00 0.23 C ATOM 296 O VAL A 20 11.647 3.828 4.445 1.00 0.27 O ATOM 297 CB VAL A 20 9.366 1.811 5.611 1.00 0.27 C ATOM 298 CG1 VAL A 20 8.334 1.392 6.614 1.00 0.87 C ATOM 299 CG2 VAL A 20 8.842 1.583 4.199 1.00 0.87 C ATOM 0 H VAL A 20 7.812 3.726 6.381 1.00 0.20 H new ATOM 0 HA VAL A 20 10.537 3.252 6.678 1.00 0.22 H new ATOM 0 HB VAL A 20 10.259 1.196 5.723 1.00 0.27 H new ATOM 0 HG11 VAL A 20 8.036 0.362 6.420 1.00 0.87 H new ATOM 0 HG12 VAL A 20 8.751 1.466 7.618 1.00 0.87 H new ATOM 0 HG13 VAL A 20 7.463 2.043 6.534 1.00 0.87 H new ATOM 0 HG21 VAL A 20 8.550 0.539 4.084 1.00 0.87 H new ATOM 0 HG22 VAL A 20 7.978 2.223 4.024 1.00 0.87 H new ATOM 0 HG23 VAL A 20 9.623 1.823 3.478 1.00 0.87 H new ATOM 309 N PHE A 21 9.596 4.359 3.723 1.00 0.23 N ATOM 310 CA PHE A 21 10.109 4.898 2.482 1.00 0.25 C ATOM 311 C PHE A 21 11.000 6.103 2.744 1.00 0.29 C ATOM 312 O PHE A 21 12.123 6.149 2.280 1.00 0.35 O ATOM 313 CB PHE A 21 8.987 5.277 1.530 1.00 0.26 C ATOM 314 CG PHE A 21 9.500 5.816 0.235 1.00 0.91 C ATOM 315 CD1 PHE A 21 9.965 4.958 -0.742 1.00 1.59 C ATOM 316 CD2 PHE A 21 9.533 7.181 0.001 1.00 1.85 C ATOM 317 CE1 PHE A 21 10.455 5.449 -1.930 1.00 2.17 C ATOM 318 CE2 PHE A 21 10.018 7.676 -1.185 1.00 2.48 C ATOM 319 CZ PHE A 21 10.482 6.810 -2.152 1.00 2.40 C ATOM 0 H PHE A 21 8.584 4.417 3.838 1.00 0.23 H new ATOM 0 HA PHE A 21 10.703 4.115 2.010 1.00 0.25 H new ATOM 0 HB2 PHE A 21 8.367 4.402 1.336 1.00 0.26 H new ATOM 0 HB3 PHE A 21 8.348 6.022 2.004 1.00 0.26 H new ATOM 0 HD1 PHE A 21 9.944 3.892 -0.572 1.00 1.59 H new ATOM 0 HD2 PHE A 21 9.174 7.862 0.758 1.00 1.85 H new ATOM 0 HE1 PHE A 21 10.818 4.770 -2.687 1.00 2.17 H new ATOM 0 HE2 PHE A 21 10.036 8.742 -1.360 1.00 2.48 H new ATOM 0 HZ PHE A 21 10.867 7.197 -3.084 1.00 2.40 H new ATOM 329 N GLN A 22 10.514 7.054 3.521 1.00 0.30 N ATOM 330 CA GLN A 22 11.241 8.297 3.737 1.00 0.37 C ATOM 331 C GLN A 22 12.496 8.085 4.571 1.00 0.36 C ATOM 332 O GLN A 22 13.429 8.888 4.511 1.00 0.44 O ATOM 333 CB GLN A 22 10.334 9.335 4.397 1.00 0.47 C ATOM 334 CG GLN A 22 9.499 10.133 3.413 1.00 1.12 C ATOM 335 CD GLN A 22 10.342 10.863 2.387 1.00 1.98 C ATOM 336 OE1 GLN A 22 10.597 10.352 1.299 1.00 2.68 O ATOM 337 NE2 GLN A 22 10.790 12.059 2.732 1.00 2.66 N ATOM 0 H GLN A 22 9.622 6.992 4.013 1.00 0.30 H new ATOM 0 HA GLN A 22 11.556 8.665 2.761 1.00 0.37 H new ATOM 0 HB2 GLN A 22 9.669 8.830 5.097 1.00 0.47 H new ATOM 0 HB3 GLN A 22 10.948 10.022 4.979 1.00 0.47 H new ATOM 0 HG2 GLN A 22 8.810 9.462 2.900 1.00 1.12 H new ATOM 0 HG3 GLN A 22 8.893 10.856 3.959 1.00 1.12 H new ATOM 0 HE21 GLN A 22 10.555 12.448 3.645 1.00 2.66 H new ATOM 0 HE22 GLN A 22 11.370 12.593 2.085 1.00 2.66 H new ATOM 346 N LYS A 23 12.534 7.012 5.344 1.00 0.35 N ATOM 347 CA LYS A 23 13.695 6.752 6.177 1.00 0.39 C ATOM 348 C LYS A 23 14.754 5.962 5.409 1.00 0.40 C ATOM 349 O LYS A 23 15.948 6.169 5.601 1.00 0.49 O ATOM 350 CB LYS A 23 13.298 6.046 7.488 1.00 0.41 C ATOM 351 CG LYS A 23 12.712 4.659 7.333 1.00 0.42 C ATOM 352 CD LYS A 23 11.800 4.339 8.508 1.00 0.63 C ATOM 353 CE LYS A 23 11.869 2.881 8.899 1.00 0.63 C ATOM 354 NZ LYS A 23 10.888 2.543 9.965 1.00 0.91 N ATOM 0 H LYS A 23 11.789 6.319 5.412 1.00 0.35 H new ATOM 0 HA LYS A 23 14.134 7.712 6.449 1.00 0.39 H new ATOM 0 HB2 LYS A 23 14.180 5.979 8.125 1.00 0.41 H new ATOM 0 HB3 LYS A 23 12.574 6.671 8.011 1.00 0.41 H new ATOM 0 HG2 LYS A 23 12.151 4.595 6.400 1.00 0.42 H new ATOM 0 HG3 LYS A 23 13.513 3.922 7.274 1.00 0.42 H new ATOM 0 HD2 LYS A 23 12.079 4.957 9.362 1.00 0.63 H new ATOM 0 HD3 LYS A 23 10.773 4.597 8.250 1.00 0.63 H new ATOM 0 HE2 LYS A 23 11.680 2.261 8.023 1.00 0.63 H new ATOM 0 HE3 LYS A 23 12.876 2.646 9.245 1.00 0.63 H new ATOM 0 HZ1 LYS A 23 11.121 1.614 10.369 1.00 0.91 H new ATOM 0 HZ2 LYS A 23 10.925 3.265 10.713 1.00 0.91 H new ATOM 0 HZ3 LYS A 23 9.931 2.514 9.559 1.00 0.91 H new ATOM 368 N TYR A 24 14.321 5.054 4.542 1.00 0.36 N ATOM 369 CA TYR A 24 15.258 4.246 3.771 1.00 0.39 C ATOM 370 C TYR A 24 15.661 4.907 2.456 1.00 0.34 C ATOM 371 O TYR A 24 16.815 4.831 2.048 1.00 0.40 O ATOM 372 CB TYR A 24 14.685 2.851 3.554 1.00 0.46 C ATOM 373 CG TYR A 24 14.487 2.125 4.868 1.00 0.86 C ATOM 374 CD1 TYR A 24 15.519 2.060 5.800 1.00 1.52 C ATOM 375 CD2 TYR A 24 13.277 1.540 5.199 1.00 1.67 C ATOM 376 CE1 TYR A 24 15.351 1.426 7.012 1.00 1.83 C ATOM 377 CE2 TYR A 24 13.100 0.909 6.414 1.00 1.99 C ATOM 378 CZ TYR A 24 14.140 0.852 7.317 1.00 1.72 C ATOM 379 OH TYR A 24 13.963 0.228 8.531 1.00 2.15 O ATOM 0 H TYR A 24 13.337 4.860 4.356 1.00 0.36 H new ATOM 0 HA TYR A 24 16.177 4.158 4.350 1.00 0.39 H new ATOM 0 HB2 TYR A 24 13.732 2.925 3.030 1.00 0.46 H new ATOM 0 HB3 TYR A 24 15.356 2.276 2.916 1.00 0.46 H new ATOM 0 HD1 TYR A 24 16.470 2.516 5.569 1.00 1.52 H new ATOM 0 HD2 TYR A 24 12.458 1.578 4.496 1.00 1.67 H new ATOM 0 HE1 TYR A 24 16.167 1.380 7.718 1.00 1.83 H new ATOM 0 HE2 TYR A 24 12.148 0.461 6.657 1.00 1.99 H new ATOM 0 HH TYR A 24 13.494 -0.622 8.397 1.00 2.15 H new ATOM 389 N ALA A 25 14.714 5.557 1.807 1.00 0.29 N ATOM 390 CA ALA A 25 14.974 6.253 0.555 1.00 0.34 C ATOM 391 C ALA A 25 15.634 7.600 0.818 1.00 0.47 C ATOM 392 O ALA A 25 16.269 8.186 -0.061 1.00 0.58 O ATOM 393 CB ALA A 25 13.672 6.440 -0.204 1.00 0.37 C ATOM 0 H ALA A 25 13.748 5.619 2.128 1.00 0.29 H new ATOM 0 HA ALA A 25 15.656 5.654 -0.048 1.00 0.34 H new ATOM 0 HB1 ALA A 25 13.869 6.961 -1.141 1.00 0.37 H new ATOM 0 HB2 ALA A 25 13.231 5.466 -0.416 1.00 0.37 H new ATOM 0 HB3 ALA A 25 12.980 7.027 0.400 1.00 0.37 H new ATOM 399 N GLY A 26 15.491 8.080 2.048 1.00 0.49 N ATOM 400 CA GLY A 26 16.084 9.347 2.431 1.00 0.64 C ATOM 401 C GLY A 26 17.572 9.226 2.698 1.00 0.75 C ATOM 402 O GLY A 26 18.203 10.162 3.186 1.00 0.96 O ATOM 0 H GLY A 26 14.972 7.611 2.790 1.00 0.49 H new ATOM 0 HA2 GLY A 26 15.917 10.078 1.640 1.00 0.64 H new ATOM 0 HA3 GLY A 26 15.586 9.724 3.324 1.00 0.64 H new ATOM 406 N LYS A 27 18.128 8.067 2.375 1.00 0.69 N ATOM 407 CA LYS A 27 19.542 7.800 2.579 1.00 0.82 C ATOM 408 C LYS A 27 20.353 8.228 1.368 1.00 0.95 C ATOM 409 O LYS A 27 21.544 8.530 1.473 1.00 1.11 O ATOM 410 CB LYS A 27 19.760 6.311 2.827 1.00 0.77 C ATOM 411 CG LYS A 27 19.058 5.797 4.068 1.00 0.81 C ATOM 412 CD LYS A 27 19.237 4.296 4.245 1.00 0.85 C ATOM 413 CE LYS A 27 18.749 3.861 5.617 1.00 1.11 C ATOM 414 NZ LYS A 27 19.560 4.459 6.710 1.00 1.72 N ATOM 0 H LYS A 27 17.612 7.288 1.965 1.00 0.69 H new ATOM 0 HA LYS A 27 19.873 8.371 3.446 1.00 0.82 H new ATOM 0 HB2 LYS A 27 19.407 5.751 1.961 1.00 0.77 H new ATOM 0 HB3 LYS A 27 20.829 6.118 2.917 1.00 0.77 H new ATOM 0 HG2 LYS A 27 19.447 6.314 4.945 1.00 0.81 H new ATOM 0 HG3 LYS A 27 17.995 6.030 4.006 1.00 0.81 H new ATOM 0 HD2 LYS A 27 18.685 3.764 3.470 1.00 0.85 H new ATOM 0 HD3 LYS A 27 20.288 4.032 4.126 1.00 0.85 H new ATOM 0 HE2 LYS A 27 17.705 4.150 5.740 1.00 1.11 H new ATOM 0 HE3 LYS A 27 18.789 2.774 5.689 1.00 1.11 H new ATOM 0 HZ1 LYS A 27 19.449 3.892 7.575 1.00 1.72 H new ATOM 0 HZ2 LYS A 27 20.562 4.473 6.431 1.00 1.72 H new ATOM 0 HZ3 LYS A 27 19.237 5.431 6.890 1.00 1.72 H new ATOM 428 N ASP A 28 19.697 8.253 0.217 1.00 1.00 N ATOM 429 CA ASP A 28 20.381 8.501 -1.042 1.00 1.19 C ATOM 430 C ASP A 28 20.709 9.978 -1.221 1.00 1.26 C ATOM 431 O ASP A 28 21.667 10.332 -1.907 1.00 1.58 O ATOM 432 CB ASP A 28 19.515 8.002 -2.196 1.00 1.33 C ATOM 433 CG ASP A 28 20.178 8.183 -3.543 1.00 1.65 C ATOM 434 OD1 ASP A 28 21.240 7.564 -3.781 1.00 2.16 O ATOM 435 OD2 ASP A 28 19.640 8.942 -4.375 1.00 2.08 O ATOM 0 H ASP A 28 18.692 8.104 0.130 1.00 1.00 H new ATOM 0 HA ASP A 28 21.326 7.958 -1.033 1.00 1.19 H new ATOM 0 HB2 ASP A 28 19.289 6.946 -2.046 1.00 1.33 H new ATOM 0 HB3 ASP A 28 18.564 8.535 -2.189 1.00 1.33 H new ATOM 440 N GLY A 29 19.926 10.837 -0.582 1.00 1.15 N ATOM 441 CA GLY A 29 20.218 12.262 -0.577 1.00 1.32 C ATOM 442 C GLY A 29 19.857 12.975 -1.873 1.00 1.51 C ATOM 443 O GLY A 29 19.392 14.113 -1.841 1.00 1.64 O ATOM 0 H GLY A 29 19.088 10.573 -0.063 1.00 1.15 H new ATOM 0 HA2 GLY A 29 19.677 12.730 0.245 1.00 1.32 H new ATOM 0 HA3 GLY A 29 21.281 12.404 -0.381 1.00 1.32 H new ATOM 447 N TYR A 30 20.069 12.305 -3.006 1.00 2.07 N ATOM 448 CA TYR A 30 19.834 12.895 -4.325 1.00 2.80 C ATOM 449 C TYR A 30 18.431 13.488 -4.426 1.00 2.61 C ATOM 450 O TYR A 30 18.269 14.703 -4.553 1.00 3.02 O ATOM 451 CB TYR A 30 20.053 11.835 -5.412 1.00 3.68 C ATOM 452 CG TYR A 30 19.809 12.319 -6.826 1.00 4.52 C ATOM 453 CD1 TYR A 30 20.599 13.314 -7.390 1.00 5.11 C ATOM 454 CD2 TYR A 30 18.795 11.768 -7.602 1.00 5.12 C ATOM 455 CE1 TYR A 30 20.384 13.746 -8.685 1.00 6.04 C ATOM 456 CE2 TYR A 30 18.574 12.196 -8.897 1.00 6.09 C ATOM 457 CZ TYR A 30 19.371 13.185 -9.433 1.00 6.45 C ATOM 458 OH TYR A 30 19.157 13.608 -10.727 1.00 7.51 O ATOM 0 H TYR A 30 20.407 11.343 -3.036 1.00 2.07 H new ATOM 0 HA TYR A 30 20.544 13.709 -4.471 1.00 2.80 H new ATOM 0 HB2 TYR A 30 21.076 11.467 -5.340 1.00 3.68 H new ATOM 0 HB3 TYR A 30 19.395 10.989 -5.213 1.00 3.68 H new ATOM 0 HD1 TYR A 30 21.393 13.756 -6.807 1.00 5.11 H new ATOM 0 HD2 TYR A 30 18.170 10.992 -7.185 1.00 5.12 H new ATOM 0 HE1 TYR A 30 21.007 14.520 -9.109 1.00 6.04 H new ATOM 0 HE2 TYR A 30 17.782 11.758 -9.486 1.00 6.09 H new ATOM 0 HH TYR A 30 18.406 13.111 -11.114 1.00 7.51 H new ATOM 468 N ASN A 31 17.419 12.637 -4.361 1.00 2.62 N ATOM 469 CA ASN A 31 16.040 13.104 -4.395 1.00 2.78 C ATOM 470 C ASN A 31 15.269 12.599 -3.185 1.00 1.96 C ATOM 471 O ASN A 31 15.263 13.233 -2.130 1.00 2.53 O ATOM 472 CB ASN A 31 15.325 12.666 -5.684 1.00 3.85 C ATOM 473 CG ASN A 31 15.615 13.566 -6.872 1.00 4.61 C ATOM 474 OD1 ASN A 31 16.676 14.183 -6.967 1.00 4.92 O ATOM 475 ND2 ASN A 31 14.668 13.649 -7.791 1.00 5.33 N ATOM 0 H ASN A 31 17.524 11.625 -4.285 1.00 2.62 H new ATOM 0 HA ASN A 31 16.069 14.193 -4.372 1.00 2.78 H new ATOM 0 HB2 ASN A 31 15.625 11.647 -5.928 1.00 3.85 H new ATOM 0 HB3 ASN A 31 14.250 12.648 -5.506 1.00 3.85 H new ATOM 0 HD21 ASN A 31 14.804 14.239 -8.612 1.00 5.33 H new ATOM 0 HD22 ASN A 31 13.801 13.123 -7.679 1.00 5.33 H new ATOM 482 N TYR A 32 14.652 11.441 -3.344 1.00 1.18 N ATOM 483 CA TYR A 32 13.840 10.830 -2.299 1.00 1.18 C ATOM 484 C TYR A 32 13.573 9.385 -2.678 1.00 0.92 C ATOM 485 O TYR A 32 12.565 8.802 -2.306 1.00 1.05 O ATOM 486 CB TYR A 32 12.515 11.593 -2.124 1.00 1.78 C ATOM 487 CG TYR A 32 11.746 11.798 -3.417 1.00 2.38 C ATOM 488 CD1 TYR A 32 10.858 10.836 -3.888 1.00 3.08 C ATOM 489 CD2 TYR A 32 11.911 12.955 -4.169 1.00 2.99 C ATOM 490 CE1 TYR A 32 10.163 11.021 -5.069 1.00 3.93 C ATOM 491 CE2 TYR A 32 11.219 13.147 -5.348 1.00 3.86 C ATOM 492 CZ TYR A 32 10.348 12.179 -5.793 1.00 4.19 C ATOM 493 OH TYR A 32 9.658 12.371 -6.968 1.00 5.19 O ATOM 0 H TYR A 32 14.699 10.894 -4.204 1.00 1.18 H new ATOM 0 HA TYR A 32 14.374 10.871 -1.350 1.00 1.18 H new ATOM 0 HB2 TYR A 32 11.885 11.049 -1.420 1.00 1.78 H new ATOM 0 HB3 TYR A 32 12.724 12.566 -1.679 1.00 1.78 H new ATOM 0 HD1 TYR A 32 10.709 9.929 -3.321 1.00 3.08 H new ATOM 0 HD2 TYR A 32 12.593 13.718 -3.825 1.00 2.99 H new ATOM 0 HE1 TYR A 32 9.480 10.263 -5.422 1.00 3.93 H new ATOM 0 HE2 TYR A 32 11.361 14.053 -5.919 1.00 3.86 H new ATOM 0 HH TYR A 32 9.902 13.238 -7.353 1.00 5.19 H new ATOM 503 N THR A 33 14.504 8.819 -3.418 1.00 0.67 N ATOM 504 CA THR A 33 14.316 7.531 -4.052 1.00 0.46 C ATOM 505 C THR A 33 15.140 6.466 -3.353 1.00 0.38 C ATOM 506 O THR A 33 16.264 6.718 -2.922 1.00 0.44 O ATOM 507 CB THR A 33 14.727 7.637 -5.533 1.00 0.45 C ATOM 508 OG1 THR A 33 14.732 9.021 -5.928 1.00 0.66 O ATOM 509 CG2 THR A 33 13.767 6.873 -6.430 1.00 0.43 C ATOM 0 H THR A 33 15.415 9.241 -3.597 1.00 0.67 H new ATOM 0 HA THR A 33 13.267 7.245 -3.982 1.00 0.46 H new ATOM 0 HB THR A 33 15.721 7.204 -5.640 1.00 0.45 H new ATOM 0 HG1 THR A 33 14.995 9.092 -6.869 1.00 0.66 H new ATOM 0 HG21 THR A 33 14.085 6.968 -7.468 1.00 0.43 H new ATOM 0 HG22 THR A 33 13.764 5.821 -6.146 1.00 0.43 H new ATOM 0 HG23 THR A 33 12.763 7.282 -6.320 1.00 0.43 H new ATOM 517 N LEU A 34 14.570 5.279 -3.257 1.00 0.32 N ATOM 518 CA LEU A 34 15.208 4.166 -2.586 1.00 0.30 C ATOM 519 C LEU A 34 16.143 3.486 -3.559 1.00 0.31 C ATOM 520 O LEU A 34 15.712 2.826 -4.499 1.00 0.34 O ATOM 521 CB LEU A 34 14.125 3.205 -2.085 1.00 0.30 C ATOM 522 CG LEU A 34 14.076 3.013 -0.573 1.00 0.29 C ATOM 523 CD1 LEU A 34 12.710 2.513 -0.138 1.00 0.45 C ATOM 524 CD2 LEU A 34 15.147 2.041 -0.130 1.00 0.28 C ATOM 0 H LEU A 34 13.651 5.061 -3.643 1.00 0.32 H new ATOM 0 HA LEU A 34 15.789 4.505 -1.728 1.00 0.30 H new ATOM 0 HB2 LEU A 34 13.154 3.570 -2.420 1.00 0.30 H new ATOM 0 HB3 LEU A 34 14.279 2.233 -2.554 1.00 0.30 H new ATOM 0 HG LEU A 34 14.258 3.979 -0.102 1.00 0.29 H new ATOM 0 HD11 LEU A 34 12.698 2.383 0.944 1.00 0.45 H new ATOM 0 HD12 LEU A 34 11.949 3.238 -0.425 1.00 0.45 H new ATOM 0 HD13 LEU A 34 12.501 1.558 -0.620 1.00 0.45 H new ATOM 0 HD21 LEU A 34 15.099 1.915 0.952 1.00 0.28 H new ATOM 0 HD22 LEU A 34 14.988 1.078 -0.615 1.00 0.28 H new ATOM 0 HD23 LEU A 34 16.127 2.429 -0.407 1.00 0.28 H new ATOM 536 N SER A 35 17.428 3.701 -3.341 1.00 0.32 N ATOM 537 CA SER A 35 18.454 3.252 -4.260 1.00 0.33 C ATOM 538 C SER A 35 18.588 1.738 -4.225 1.00 0.32 C ATOM 539 O SER A 35 18.047 1.087 -3.330 1.00 0.30 O ATOM 540 CB SER A 35 19.785 3.931 -3.931 1.00 0.37 C ATOM 541 OG SER A 35 20.764 3.668 -4.924 1.00 0.40 O ATOM 0 H SER A 35 17.788 4.191 -2.522 1.00 0.32 H new ATOM 0 HA SER A 35 18.164 3.533 -5.272 1.00 0.33 H new ATOM 0 HB2 SER A 35 19.634 5.007 -3.844 1.00 0.37 H new ATOM 0 HB3 SER A 35 20.144 3.580 -2.963 1.00 0.37 H new ATOM 0 HG SER A 35 21.601 4.117 -4.685 1.00 0.40 H new ATOM 547 N LYS A 36 19.328 1.194 -5.194 1.00 0.38 N ATOM 548 CA LYS A 36 19.431 -0.248 -5.390 1.00 0.42 C ATOM 549 C LYS A 36 19.734 -0.946 -4.080 1.00 0.36 C ATOM 550 O LYS A 36 18.923 -1.704 -3.562 1.00 0.35 O ATOM 551 CB LYS A 36 20.530 -0.567 -6.413 1.00 0.53 C ATOM 552 CG LYS A 36 20.763 -2.058 -6.635 1.00 0.62 C ATOM 553 CD LYS A 36 19.530 -2.730 -7.209 1.00 0.66 C ATOM 554 CE LYS A 36 19.740 -4.221 -7.444 1.00 0.61 C ATOM 555 NZ LYS A 36 20.748 -4.489 -8.506 1.00 0.65 N ATOM 0 H LYS A 36 19.870 1.742 -5.862 1.00 0.38 H new ATOM 0 HA LYS A 36 18.474 -0.610 -5.766 1.00 0.42 H new ATOM 0 HB2 LYS A 36 20.269 -0.106 -7.365 1.00 0.53 H new ATOM 0 HB3 LYS A 36 21.463 -0.110 -6.082 1.00 0.53 H new ATOM 0 HG2 LYS A 36 21.605 -2.200 -7.312 1.00 0.62 H new ATOM 0 HG3 LYS A 36 21.031 -2.531 -5.690 1.00 0.62 H new ATOM 0 HD2 LYS A 36 18.691 -2.586 -6.528 1.00 0.66 H new ATOM 0 HD3 LYS A 36 19.263 -2.250 -8.150 1.00 0.66 H new ATOM 0 HE2 LYS A 36 20.061 -4.691 -6.515 1.00 0.61 H new ATOM 0 HE3 LYS A 36 18.791 -4.680 -7.722 1.00 0.61 H new ATOM 0 HZ1 LYS A 36 20.446 -5.307 -9.072 1.00 0.65 H new ATOM 0 HZ2 LYS A 36 20.834 -3.655 -9.121 1.00 0.65 H new ATOM 0 HZ3 LYS A 36 21.669 -4.692 -8.067 1.00 0.65 H new ATOM 569 N THR A 37 20.879 -0.629 -3.523 1.00 0.37 N ATOM 570 CA THR A 37 21.342 -1.278 -2.321 1.00 0.38 C ATOM 571 C THR A 37 20.455 -0.948 -1.128 1.00 0.36 C ATOM 572 O THR A 37 20.280 -1.774 -0.226 1.00 0.38 O ATOM 573 CB THR A 37 22.773 -0.856 -2.015 1.00 0.44 C ATOM 574 OG1 THR A 37 23.606 -1.100 -3.157 1.00 0.48 O ATOM 575 CG2 THR A 37 23.295 -1.620 -0.809 1.00 0.49 C ATOM 0 H THR A 37 21.512 0.082 -3.888 1.00 0.37 H new ATOM 0 HA THR A 37 21.301 -2.354 -2.493 1.00 0.38 H new ATOM 0 HB THR A 37 22.790 0.210 -1.786 1.00 0.44 H new ATOM 0 HG1 THR A 37 24.525 -0.825 -2.956 1.00 0.48 H new ATOM 0 HG21 THR A 37 24.319 -1.311 -0.598 1.00 0.49 H new ATOM 0 HG22 THR A 37 22.667 -1.408 0.056 1.00 0.49 H new ATOM 0 HG23 THR A 37 23.274 -2.689 -1.019 1.00 0.49 H new ATOM 583 N GLU A 38 19.893 0.254 -1.125 1.00 0.34 N ATOM 584 CA GLU A 38 18.984 0.652 -0.072 1.00 0.34 C ATOM 585 C GLU A 38 17.820 -0.333 -0.023 1.00 0.34 C ATOM 586 O GLU A 38 17.700 -1.085 0.942 1.00 0.48 O ATOM 587 CB GLU A 38 18.525 2.087 -0.285 1.00 0.35 C ATOM 588 CG GLU A 38 19.698 3.050 -0.332 1.00 0.47 C ATOM 589 CD GLU A 38 19.296 4.488 -0.551 1.00 1.27 C ATOM 590 OE1 GLU A 38 18.182 4.730 -1.050 1.00 1.96 O ATOM 591 OE2 GLU A 38 20.115 5.377 -0.244 1.00 2.16 O ATOM 0 H GLU A 38 20.053 0.964 -1.840 1.00 0.34 H new ATOM 0 HA GLU A 38 19.488 0.626 0.894 1.00 0.34 H new ATOM 0 HB2 GLU A 38 17.961 2.155 -1.215 1.00 0.35 H new ATOM 0 HB3 GLU A 38 17.849 2.376 0.519 1.00 0.35 H new ATOM 0 HG2 GLU A 38 20.255 2.976 0.602 1.00 0.47 H new ATOM 0 HG3 GLU A 38 20.374 2.746 -1.131 1.00 0.47 H new ATOM 598 N PHE A 39 17.021 -0.430 -1.088 1.00 0.29 N ATOM 599 CA PHE A 39 15.867 -1.325 -1.027 1.00 0.31 C ATOM 600 C PHE A 39 16.319 -2.761 -0.875 1.00 0.28 C ATOM 601 O PHE A 39 15.620 -3.561 -0.293 1.00 0.27 O ATOM 602 CB PHE A 39 14.879 -1.199 -2.200 1.00 0.53 C ATOM 603 CG PHE A 39 15.454 -1.282 -3.581 1.00 0.81 C ATOM 604 CD1 PHE A 39 15.827 -2.497 -4.122 1.00 1.78 C ATOM 605 CD2 PHE A 39 15.582 -0.143 -4.352 1.00 1.76 C ATOM 606 CE1 PHE A 39 16.326 -2.571 -5.406 1.00 2.66 C ATOM 607 CE2 PHE A 39 16.084 -0.210 -5.634 1.00 2.62 C ATOM 608 CZ PHE A 39 16.456 -1.426 -6.160 1.00 2.88 C ATOM 0 H PHE A 39 17.143 0.076 -1.965 1.00 0.29 H new ATOM 0 HA PHE A 39 15.309 -1.006 -0.147 1.00 0.31 H new ATOM 0 HB2 PHE A 39 14.128 -1.983 -2.097 1.00 0.53 H new ATOM 0 HB3 PHE A 39 14.359 -0.245 -2.105 1.00 0.53 H new ATOM 0 HD1 PHE A 39 15.727 -3.398 -3.534 1.00 1.78 H new ATOM 0 HD2 PHE A 39 15.285 0.812 -3.945 1.00 1.76 H new ATOM 0 HE1 PHE A 39 16.614 -3.526 -5.820 1.00 2.66 H new ATOM 0 HE2 PHE A 39 16.185 0.689 -6.224 1.00 2.62 H new ATOM 0 HZ PHE A 39 16.850 -1.482 -7.164 1.00 2.88 H new ATOM 618 N LEU A 40 17.499 -3.077 -1.374 1.00 0.33 N ATOM 619 CA LEU A 40 18.081 -4.395 -1.163 1.00 0.37 C ATOM 620 C LEU A 40 18.100 -4.755 0.324 1.00 0.40 C ATOM 621 O LEU A 40 17.589 -5.796 0.731 1.00 0.43 O ATOM 622 CB LEU A 40 19.506 -4.426 -1.716 1.00 0.43 C ATOM 623 CG LEU A 40 19.683 -5.017 -3.123 1.00 0.50 C ATOM 624 CD1 LEU A 40 19.679 -6.535 -3.081 1.00 1.07 C ATOM 625 CD2 LEU A 40 18.595 -4.532 -4.057 1.00 0.46 C ATOM 0 H LEU A 40 18.075 -2.443 -1.928 1.00 0.33 H new ATOM 0 HA LEU A 40 17.467 -5.127 -1.687 1.00 0.37 H new ATOM 0 HB2 LEU A 40 19.891 -3.406 -1.723 1.00 0.43 H new ATOM 0 HB3 LEU A 40 20.127 -4.997 -1.026 1.00 0.43 H new ATOM 0 HG LEU A 40 20.648 -4.677 -3.500 1.00 0.50 H new ATOM 0 HD11 LEU A 40 19.806 -6.927 -4.090 1.00 1.07 H new ATOM 0 HD12 LEU A 40 20.497 -6.884 -2.451 1.00 1.07 H new ATOM 0 HD13 LEU A 40 18.731 -6.885 -2.672 1.00 1.07 H new ATOM 0 HD21 LEU A 40 18.744 -4.966 -5.046 1.00 0.46 H new ATOM 0 HD22 LEU A 40 17.622 -4.836 -3.671 1.00 0.46 H new ATOM 0 HD23 LEU A 40 18.634 -3.445 -4.128 1.00 0.46 H new ATOM 637 N SER A 41 18.672 -3.877 1.131 1.00 0.42 N ATOM 638 CA SER A 41 18.795 -4.124 2.561 1.00 0.52 C ATOM 639 C SER A 41 17.448 -3.947 3.270 1.00 0.45 C ATOM 640 O SER A 41 17.126 -4.680 4.200 1.00 0.47 O ATOM 641 CB SER A 41 19.841 -3.179 3.163 1.00 0.67 C ATOM 642 OG SER A 41 20.062 -3.455 4.536 1.00 1.40 O ATOM 0 H SER A 41 19.059 -2.986 0.822 1.00 0.42 H new ATOM 0 HA SER A 41 19.116 -5.155 2.706 1.00 0.52 H new ATOM 0 HB2 SER A 41 20.779 -3.276 2.616 1.00 0.67 H new ATOM 0 HB3 SER A 41 19.510 -2.147 3.047 1.00 0.67 H new ATOM 0 HG SER A 41 20.735 -2.837 4.890 1.00 1.40 H new ATOM 648 N PHE A 42 16.662 -2.988 2.807 1.00 0.42 N ATOM 649 CA PHE A 42 15.402 -2.610 3.455 1.00 0.46 C ATOM 650 C PHE A 42 14.272 -3.533 3.043 1.00 0.29 C ATOM 651 O PHE A 42 13.279 -3.669 3.743 1.00 0.43 O ATOM 652 CB PHE A 42 15.159 -1.139 3.163 1.00 0.80 C ATOM 653 CG PHE A 42 16.374 -0.355 3.593 1.00 1.89 C ATOM 654 CD1 PHE A 42 17.047 -0.704 4.760 1.00 2.69 C ATOM 655 CD2 PHE A 42 16.888 0.662 2.818 1.00 2.77 C ATOM 656 CE1 PHE A 42 18.196 -0.048 5.139 1.00 3.73 C ATOM 657 CE2 PHE A 42 18.045 1.315 3.188 1.00 3.80 C ATOM 658 CZ PHE A 42 18.699 0.959 4.349 1.00 4.13 C ATOM 0 H PHE A 42 16.874 -2.445 1.970 1.00 0.42 H new ATOM 0 HA PHE A 42 15.457 -2.731 4.537 1.00 0.46 H new ATOM 0 HB2 PHE A 42 14.970 -0.991 2.100 1.00 0.80 H new ATOM 0 HB3 PHE A 42 14.275 -0.789 3.696 1.00 0.80 H new ATOM 0 HD1 PHE A 42 16.662 -1.502 5.378 1.00 2.69 H new ATOM 0 HD2 PHE A 42 16.379 0.951 1.910 1.00 2.77 H new ATOM 0 HE1 PHE A 42 18.701 -0.323 6.053 1.00 3.73 H new ATOM 0 HE2 PHE A 42 18.440 2.106 2.568 1.00 3.80 H new ATOM 0 HZ PHE A 42 19.605 1.471 4.637 1.00 4.13 H new ATOM 668 N MET A 43 14.442 -4.186 1.917 1.00 0.26 N ATOM 669 CA MET A 43 13.599 -5.317 1.569 1.00 0.29 C ATOM 670 C MET A 43 14.011 -6.550 2.367 1.00 0.29 C ATOM 671 O MET A 43 13.175 -7.368 2.720 1.00 0.37 O ATOM 672 CB MET A 43 13.695 -5.626 0.088 1.00 0.39 C ATOM 673 CG MET A 43 12.897 -4.688 -0.807 1.00 0.62 C ATOM 674 SD MET A 43 13.230 -4.954 -2.561 1.00 1.22 S ATOM 675 CE MET A 43 12.128 -3.760 -3.309 1.00 2.26 C ATOM 0 H MET A 43 15.154 -3.957 1.224 1.00 0.26 H new ATOM 0 HA MET A 43 12.569 -5.054 1.811 1.00 0.29 H new ATOM 0 HB2 MET A 43 14.743 -5.588 -0.211 1.00 0.39 H new ATOM 0 HB3 MET A 43 13.352 -6.647 -0.080 1.00 0.39 H new ATOM 0 HG2 MET A 43 11.833 -4.828 -0.617 1.00 0.62 H new ATOM 0 HG3 MET A 43 13.133 -3.656 -0.548 1.00 0.62 H new ATOM 0 HE1 MET A 43 12.568 -3.388 -4.234 1.00 2.26 H new ATOM 0 HE2 MET A 43 11.171 -4.235 -3.527 1.00 2.26 H new ATOM 0 HE3 MET A 43 11.972 -2.929 -2.622 1.00 2.26 H new ATOM 685 N ASN A 44 15.303 -6.694 2.649 1.00 0.29 N ATOM 686 CA ASN A 44 15.772 -7.828 3.450 1.00 0.33 C ATOM 687 C ASN A 44 15.507 -7.614 4.931 1.00 0.32 C ATOM 688 O ASN A 44 15.618 -8.547 5.722 1.00 0.39 O ATOM 689 CB ASN A 44 17.263 -8.093 3.265 1.00 0.42 C ATOM 690 CG ASN A 44 17.575 -9.030 2.114 1.00 1.05 C ATOM 691 OD1 ASN A 44 17.546 -10.251 2.268 1.00 1.54 O ATOM 692 ND2 ASN A 44 17.904 -8.473 0.966 1.00 1.83 N ATOM 0 H ASN A 44 16.035 -6.053 2.342 1.00 0.29 H new ATOM 0 HA ASN A 44 15.210 -8.691 3.093 1.00 0.33 H new ATOM 0 HB2 ASN A 44 17.774 -7.145 3.099 1.00 0.42 H new ATOM 0 HB3 ASN A 44 17.665 -8.515 4.186 1.00 0.42 H new ATOM 0 HD21 ASN A 44 18.146 -9.058 0.166 1.00 1.83 H new ATOM 0 HD22 ASN A 44 17.917 -7.457 0.877 1.00 1.83 H new ATOM 699 N THR A 45 15.194 -6.387 5.315 1.00 0.26 N ATOM 700 CA THR A 45 14.893 -6.091 6.708 1.00 0.29 C ATOM 701 C THR A 45 13.404 -5.900 6.913 1.00 0.28 C ATOM 702 O THR A 45 12.753 -6.678 7.614 1.00 0.34 O ATOM 703 CB THR A 45 15.627 -4.830 7.195 1.00 0.29 C ATOM 704 OG1 THR A 45 15.566 -3.813 6.190 1.00 0.34 O ATOM 705 CG2 THR A 45 17.075 -5.136 7.524 1.00 0.34 C ATOM 0 H THR A 45 15.142 -5.585 4.688 1.00 0.26 H new ATOM 0 HA THR A 45 15.237 -6.946 7.290 1.00 0.29 H new ATOM 0 HB THR A 45 15.135 -4.478 8.102 1.00 0.29 H new ATOM 0 HG1 THR A 45 16.240 -3.992 5.502 1.00 0.34 H new ATOM 0 HG21 THR A 45 17.570 -4.227 7.866 1.00 0.34 H new ATOM 0 HG22 THR A 45 17.118 -5.890 8.310 1.00 0.34 H new ATOM 0 HG23 THR A 45 17.579 -5.511 6.633 1.00 0.34 H new ATOM 713 N GLU A 46 12.863 -4.882 6.264 1.00 0.23 N ATOM 714 CA GLU A 46 11.461 -4.559 6.396 1.00 0.25 C ATOM 715 C GLU A 46 10.608 -5.623 5.729 1.00 0.25 C ATOM 716 O GLU A 46 9.516 -5.931 6.175 1.00 0.34 O ATOM 717 CB GLU A 46 11.157 -3.198 5.782 1.00 0.29 C ATOM 718 CG GLU A 46 11.805 -2.033 6.502 1.00 0.58 C ATOM 719 CD GLU A 46 11.445 -1.972 7.975 1.00 1.17 C ATOM 720 OE1 GLU A 46 10.241 -1.973 8.302 1.00 1.70 O ATOM 721 OE2 GLU A 46 12.371 -1.910 8.813 1.00 1.68 O ATOM 0 H GLU A 46 13.381 -4.265 5.638 1.00 0.23 H new ATOM 0 HA GLU A 46 11.223 -4.523 7.459 1.00 0.25 H new ATOM 0 HB2 GLU A 46 11.488 -3.198 4.744 1.00 0.29 H new ATOM 0 HB3 GLU A 46 10.077 -3.049 5.772 1.00 0.29 H new ATOM 0 HG2 GLU A 46 12.888 -2.108 6.401 1.00 0.58 H new ATOM 0 HG3 GLU A 46 11.503 -1.103 6.021 1.00 0.58 H new ATOM 728 N LEU A 47 11.108 -6.207 4.670 1.00 0.25 N ATOM 729 CA LEU A 47 10.313 -7.182 3.947 1.00 0.26 C ATOM 730 C LEU A 47 10.948 -8.544 4.001 1.00 0.28 C ATOM 731 O LEU A 47 10.768 -9.365 3.108 1.00 0.30 O ATOM 732 CB LEU A 47 10.110 -6.745 2.512 1.00 0.26 C ATOM 733 CG LEU A 47 9.391 -5.414 2.368 1.00 0.27 C ATOM 734 CD1 LEU A 47 9.420 -4.962 0.924 1.00 0.32 C ATOM 735 CD2 LEU A 47 7.960 -5.536 2.880 1.00 0.27 C ATOM 0 H LEU A 47 12.039 -6.034 4.291 1.00 0.25 H new ATOM 0 HA LEU A 47 9.338 -7.246 4.430 1.00 0.26 H new ATOM 0 HB2 LEU A 47 11.082 -6.676 2.023 1.00 0.26 H new ATOM 0 HB3 LEU A 47 9.542 -7.512 1.986 1.00 0.26 H new ATOM 0 HG LEU A 47 9.902 -4.661 2.968 1.00 0.27 H new ATOM 0 HD11 LEU A 47 8.902 -4.007 0.831 1.00 0.32 H new ATOM 0 HD12 LEU A 47 10.454 -4.847 0.599 1.00 0.32 H new ATOM 0 HD13 LEU A 47 8.924 -5.706 0.300 1.00 0.32 H new ATOM 0 HD21 LEU A 47 7.452 -4.577 2.773 1.00 0.27 H new ATOM 0 HD22 LEU A 47 7.430 -6.294 2.303 1.00 0.27 H new ATOM 0 HD23 LEU A 47 7.973 -5.824 3.931 1.00 0.27 H new ATOM 747 N ALA A 48 11.696 -8.775 5.060 1.00 0.32 N ATOM 748 CA ALA A 48 12.343 -10.049 5.273 1.00 0.36 C ATOM 749 C ALA A 48 11.318 -11.175 5.352 1.00 0.39 C ATOM 750 O ALA A 48 11.627 -12.330 5.073 1.00 0.44 O ATOM 751 CB ALA A 48 13.187 -9.974 6.523 1.00 0.41 C ATOM 0 H ALA A 48 11.871 -8.087 5.793 1.00 0.32 H new ATOM 0 HA ALA A 48 12.992 -10.272 4.426 1.00 0.36 H new ATOM 0 HB1 ALA A 48 13.678 -10.933 6.689 1.00 0.41 H new ATOM 0 HB2 ALA A 48 13.941 -9.196 6.407 1.00 0.41 H new ATOM 0 HB3 ALA A 48 12.552 -9.739 7.377 1.00 0.41 H new ATOM 757 N ALA A 49 10.092 -10.825 5.714 1.00 0.38 N ATOM 758 CA ALA A 49 8.984 -11.767 5.689 1.00 0.41 C ATOM 759 C ALA A 49 8.828 -12.358 4.292 1.00 0.41 C ATOM 760 O ALA A 49 8.633 -13.563 4.126 1.00 0.47 O ATOM 761 CB ALA A 49 7.706 -11.063 6.108 1.00 0.44 C ATOM 0 H ALA A 49 9.839 -9.889 6.030 1.00 0.38 H new ATOM 0 HA ALA A 49 9.189 -12.578 6.387 1.00 0.41 H new ATOM 0 HB1 ALA A 49 6.877 -11.771 6.088 1.00 0.44 H new ATOM 0 HB2 ALA A 49 7.822 -10.668 7.117 1.00 0.44 H new ATOM 0 HB3 ALA A 49 7.499 -10.244 5.419 1.00 0.44 H new ATOM 767 N PHE A 50 8.932 -11.494 3.297 1.00 0.36 N ATOM 768 CA PHE A 50 8.828 -11.885 1.902 1.00 0.37 C ATOM 769 C PHE A 50 10.182 -12.343 1.367 1.00 0.38 C ATOM 770 O PHE A 50 10.328 -13.458 0.870 1.00 0.44 O ATOM 771 CB PHE A 50 8.331 -10.693 1.082 1.00 0.35 C ATOM 772 CG PHE A 50 8.029 -11.020 -0.354 1.00 0.70 C ATOM 773 CD1 PHE A 50 6.838 -11.636 -0.700 1.00 1.32 C ATOM 774 CD2 PHE A 50 8.933 -10.707 -1.357 1.00 1.63 C ATOM 775 CE1 PHE A 50 6.553 -11.934 -2.019 1.00 1.66 C ATOM 776 CE2 PHE A 50 8.654 -11.003 -2.677 1.00 2.09 C ATOM 777 CZ PHE A 50 7.462 -11.617 -3.008 1.00 1.80 C ATOM 0 H PHE A 50 9.092 -10.496 3.435 1.00 0.36 H new ATOM 0 HA PHE A 50 8.125 -12.714 1.820 1.00 0.37 H new ATOM 0 HB2 PHE A 50 7.431 -10.294 1.550 1.00 0.35 H new ATOM 0 HB3 PHE A 50 9.083 -9.905 1.114 1.00 0.35 H new ATOM 0 HD1 PHE A 50 6.123 -11.886 0.070 1.00 1.32 H new ATOM 0 HD2 PHE A 50 9.866 -10.226 -1.104 1.00 1.63 H new ATOM 0 HE1 PHE A 50 5.620 -12.414 -2.276 1.00 1.66 H new ATOM 0 HE2 PHE A 50 9.367 -10.755 -3.449 1.00 2.09 H new ATOM 0 HZ PHE A 50 7.241 -11.849 -4.040 1.00 1.80 H new ATOM 787 N THR A 51 11.165 -11.469 1.508 1.00 0.36 N ATOM 788 CA THR A 51 12.484 -11.645 0.917 1.00 0.40 C ATOM 789 C THR A 51 13.196 -12.906 1.412 1.00 0.45 C ATOM 790 O THR A 51 13.857 -13.596 0.639 1.00 0.54 O ATOM 791 CB THR A 51 13.347 -10.418 1.234 1.00 0.39 C ATOM 792 OG1 THR A 51 12.686 -9.232 0.778 1.00 0.39 O ATOM 793 CG2 THR A 51 14.715 -10.525 0.587 1.00 0.49 C ATOM 0 H THR A 51 11.069 -10.606 2.043 1.00 0.36 H new ATOM 0 HA THR A 51 12.344 -11.757 -0.158 1.00 0.40 H new ATOM 0 HB THR A 51 13.486 -10.369 2.314 1.00 0.39 H new ATOM 0 HG1 THR A 51 12.749 -8.537 1.466 1.00 0.39 H new ATOM 0 HG21 THR A 51 15.303 -9.640 0.830 1.00 0.49 H new ATOM 0 HG22 THR A 51 15.225 -11.413 0.959 1.00 0.49 H new ATOM 0 HG23 THR A 51 14.601 -10.599 -0.495 1.00 0.49 H new ATOM 801 N LYS A 52 13.069 -13.207 2.695 1.00 0.48 N ATOM 802 CA LYS A 52 13.746 -14.367 3.259 1.00 0.60 C ATOM 803 C LYS A 52 12.955 -15.633 2.965 1.00 0.69 C ATOM 804 O LYS A 52 13.490 -16.743 3.007 1.00 0.84 O ATOM 805 CB LYS A 52 13.940 -14.201 4.765 1.00 0.70 C ATOM 806 CG LYS A 52 14.724 -12.951 5.139 1.00 0.78 C ATOM 807 CD LYS A 52 16.144 -12.987 4.602 1.00 1.07 C ATOM 808 CE LYS A 52 16.928 -11.751 5.014 1.00 1.24 C ATOM 809 NZ LYS A 52 17.170 -11.701 6.481 1.00 1.82 N ATOM 0 H LYS A 52 12.510 -12.672 3.360 1.00 0.48 H new ATOM 0 HA LYS A 52 14.728 -14.451 2.794 1.00 0.60 H new ATOM 0 HB2 LYS A 52 12.964 -14.167 5.248 1.00 0.70 H new ATOM 0 HB3 LYS A 52 14.458 -15.077 5.156 1.00 0.70 H new ATOM 0 HG2 LYS A 52 14.211 -12.072 4.749 1.00 0.78 H new ATOM 0 HG3 LYS A 52 14.749 -12.850 6.224 1.00 0.78 H new ATOM 0 HD2 LYS A 52 16.650 -13.879 4.970 1.00 1.07 H new ATOM 0 HD3 LYS A 52 16.121 -13.059 3.515 1.00 1.07 H new ATOM 0 HE2 LYS A 52 17.883 -11.737 4.489 1.00 1.24 H new ATOM 0 HE3 LYS A 52 16.383 -10.858 4.707 1.00 1.24 H new ATOM 0 HZ1 LYS A 52 17.859 -10.951 6.694 1.00 1.82 H new ATOM 0 HZ2 LYS A 52 16.276 -11.500 6.974 1.00 1.82 H new ATOM 0 HZ3 LYS A 52 17.544 -12.616 6.802 1.00 1.82 H new ATOM 823 N ASN A 53 11.679 -15.450 2.660 1.00 0.68 N ATOM 824 CA ASN A 53 10.814 -16.560 2.291 1.00 0.85 C ATOM 825 C ASN A 53 11.067 -16.929 0.836 1.00 1.00 C ATOM 826 O ASN A 53 10.992 -18.092 0.446 1.00 1.22 O ATOM 827 CB ASN A 53 9.352 -16.169 2.503 1.00 0.92 C ATOM 828 CG ASN A 53 8.378 -17.302 2.222 1.00 1.40 C ATOM 829 OD1 ASN A 53 8.684 -18.474 2.432 1.00 1.94 O ATOM 830 ND2 ASN A 53 7.190 -16.953 1.750 1.00 2.05 N ATOM 0 H ASN A 53 11.219 -14.540 2.661 1.00 0.68 H new ATOM 0 HA ASN A 53 11.032 -17.424 2.918 1.00 0.85 H new ATOM 0 HB2 ASN A 53 9.219 -15.832 3.531 1.00 0.92 H new ATOM 0 HB3 ASN A 53 9.112 -15.325 1.857 1.00 0.92 H new ATOM 0 HD21 ASN A 53 6.491 -17.668 1.548 1.00 2.05 H new ATOM 0 HD22 ASN A 53 6.974 -15.969 1.589 1.00 2.05 H new ATOM 837 N GLN A 54 11.389 -15.916 0.045 1.00 1.02 N ATOM 838 CA GLN A 54 11.824 -16.108 -1.328 1.00 1.29 C ATOM 839 C GLN A 54 13.335 -15.922 -1.382 1.00 1.33 C ATOM 840 O GLN A 54 13.837 -15.064 -2.104 1.00 2.05 O ATOM 841 CB GLN A 54 11.139 -15.093 -2.254 1.00 1.74 C ATOM 842 CG GLN A 54 9.623 -15.057 -2.118 1.00 2.17 C ATOM 843 CD GLN A 54 8.954 -16.361 -2.506 1.00 2.40 C ATOM 844 OE1 GLN A 54 9.524 -17.066 -3.472 1.00 2.91 O flip ATOM 845 NE2 GLN A 54 7.919 -16.724 -1.951 1.00 2.71 N flip ATOM 0 H GLN A 54 11.356 -14.939 0.338 1.00 1.02 H new ATOM 0 HA GLN A 54 11.554 -17.110 -1.663 1.00 1.29 H new ATOM 0 HB2 GLN A 54 11.536 -14.100 -2.045 1.00 1.74 H new ATOM 0 HB3 GLN A 54 11.396 -15.328 -3.287 1.00 1.74 H new ATOM 0 HG2 GLN A 54 9.363 -14.816 -1.087 1.00 2.17 H new ATOM 0 HG3 GLN A 54 9.228 -14.255 -2.742 1.00 2.17 H new ATOM 0 HE21 GLN A 54 7.510 -16.154 -1.211 1.00 2.71 H new ATOM 0 HE22 GLN A 54 7.469 -17.596 -2.231 1.00 2.71 H new ATOM 854 N LYS A 55 14.041 -16.734 -0.596 1.00 1.44 N ATOM 855 CA LYS A 55 15.470 -16.547 -0.347 1.00 1.87 C ATOM 856 C LYS A 55 16.288 -16.567 -1.634 1.00 1.59 C ATOM 857 O LYS A 55 16.639 -17.631 -2.155 1.00 2.27 O ATOM 858 CB LYS A 55 15.980 -17.620 0.618 1.00 2.84 C ATOM 859 CG LYS A 55 17.448 -17.471 0.982 1.00 3.60 C ATOM 860 CD LYS A 55 17.909 -18.600 1.888 1.00 4.29 C ATOM 861 CE LYS A 55 19.397 -18.506 2.180 1.00 5.02 C ATOM 862 NZ LYS A 55 19.874 -19.659 2.984 1.00 5.58 N ATOM 0 H LYS A 55 13.639 -17.539 -0.115 1.00 1.44 H new ATOM 0 HA LYS A 55 15.596 -15.562 0.102 1.00 1.87 H new ATOM 0 HB2 LYS A 55 15.384 -17.588 1.530 1.00 2.84 H new ATOM 0 HB3 LYS A 55 15.824 -18.602 0.170 1.00 2.84 H new ATOM 0 HG2 LYS A 55 18.051 -17.461 0.074 1.00 3.60 H new ATOM 0 HG3 LYS A 55 17.606 -16.514 1.480 1.00 3.60 H new ATOM 0 HD2 LYS A 55 17.351 -18.568 2.824 1.00 4.29 H new ATOM 0 HD3 LYS A 55 17.689 -19.558 1.418 1.00 4.29 H new ATOM 0 HE2 LYS A 55 19.950 -18.464 1.242 1.00 5.02 H new ATOM 0 HE3 LYS A 55 19.605 -17.579 2.715 1.00 5.02 H new ATOM 0 HZ1 LYS A 55 20.894 -19.559 3.163 1.00 5.58 H new ATOM 0 HZ2 LYS A 55 19.364 -19.685 3.890 1.00 5.58 H new ATOM 0 HZ3 LYS A 55 19.699 -20.542 2.463 1.00 5.58 H new ATOM 876 N ASP A 56 16.578 -15.377 -2.134 1.00 1.36 N ATOM 877 CA ASP A 56 17.410 -15.194 -3.313 1.00 1.50 C ATOM 878 C ASP A 56 17.702 -13.709 -3.477 1.00 1.27 C ATOM 879 O ASP A 56 16.783 -12.905 -3.544 1.00 1.44 O ATOM 880 CB ASP A 56 16.704 -15.719 -4.566 1.00 2.13 C ATOM 881 CG ASP A 56 17.622 -15.769 -5.769 1.00 2.83 C ATOM 882 OD1 ASP A 56 17.894 -14.710 -6.366 1.00 3.39 O ATOM 883 OD2 ASP A 56 18.080 -16.876 -6.122 1.00 3.44 O ATOM 0 H ASP A 56 16.240 -14.503 -1.730 1.00 1.36 H new ATOM 0 HA ASP A 56 18.337 -15.753 -3.186 1.00 1.50 H new ATOM 0 HB2 ASP A 56 16.314 -16.718 -4.368 1.00 2.13 H new ATOM 0 HB3 ASP A 56 15.849 -15.082 -4.791 1.00 2.13 H new ATOM 888 N PRO A 57 18.976 -13.314 -3.532 1.00 1.06 N ATOM 889 CA PRO A 57 19.356 -11.899 -3.636 1.00 1.02 C ATOM 890 C PRO A 57 18.922 -11.271 -4.958 1.00 0.75 C ATOM 891 O PRO A 57 18.944 -10.050 -5.114 1.00 0.70 O ATOM 892 CB PRO A 57 20.882 -11.934 -3.537 1.00 1.20 C ATOM 893 CG PRO A 57 21.251 -13.302 -3.990 1.00 1.20 C ATOM 894 CD PRO A 57 20.153 -14.196 -3.495 1.00 1.14 C ATOM 0 HA PRO A 57 18.877 -11.293 -2.867 1.00 1.02 H new ATOM 0 HB2 PRO A 57 21.339 -11.170 -4.167 1.00 1.20 H new ATOM 0 HB3 PRO A 57 21.218 -11.749 -2.517 1.00 1.20 H new ATOM 0 HG2 PRO A 57 21.335 -13.347 -5.076 1.00 1.20 H new ATOM 0 HG3 PRO A 57 22.216 -13.603 -3.583 1.00 1.20 H new ATOM 0 HD2 PRO A 57 20.024 -15.070 -4.133 1.00 1.14 H new ATOM 0 HD3 PRO A 57 20.353 -14.563 -2.488 1.00 1.14 H new ATOM 902 N GLY A 58 18.519 -12.112 -5.898 1.00 0.67 N ATOM 903 CA GLY A 58 18.120 -11.633 -7.199 1.00 0.56 C ATOM 904 C GLY A 58 16.656 -11.275 -7.263 1.00 0.49 C ATOM 905 O GLY A 58 16.213 -10.651 -8.222 1.00 0.48 O ATOM 0 H GLY A 58 18.462 -13.123 -5.779 1.00 0.67 H new ATOM 0 HA2 GLY A 58 18.716 -10.758 -7.458 1.00 0.56 H new ATOM 0 HA3 GLY A 58 18.336 -12.398 -7.945 1.00 0.56 H new ATOM 909 N VAL A 59 15.891 -11.650 -6.245 1.00 0.52 N ATOM 910 CA VAL A 59 14.460 -11.389 -6.266 1.00 0.52 C ATOM 911 C VAL A 59 14.179 -9.909 -6.165 1.00 0.49 C ATOM 912 O VAL A 59 13.351 -9.380 -6.901 1.00 0.49 O ATOM 913 CB VAL A 59 13.681 -12.135 -5.155 1.00 0.61 C ATOM 914 CG1 VAL A 59 14.167 -11.745 -3.766 1.00 0.65 C ATOM 915 CG2 VAL A 59 12.191 -11.852 -5.280 1.00 0.66 C ATOM 0 H VAL A 59 16.231 -12.127 -5.410 1.00 0.52 H new ATOM 0 HA VAL A 59 14.107 -11.772 -7.224 1.00 0.52 H new ATOM 0 HB VAL A 59 13.862 -13.202 -5.285 1.00 0.61 H new ATOM 0 HG11 VAL A 59 13.596 -12.290 -3.014 1.00 0.65 H new ATOM 0 HG12 VAL A 59 15.224 -11.992 -3.668 1.00 0.65 H new ATOM 0 HG13 VAL A 59 14.030 -10.674 -3.620 1.00 0.65 H new ATOM 0 HG21 VAL A 59 11.653 -12.382 -4.494 1.00 0.66 H new ATOM 0 HG22 VAL A 59 12.015 -10.781 -5.182 1.00 0.66 H new ATOM 0 HG23 VAL A 59 11.837 -12.191 -6.254 1.00 0.66 H new ATOM 925 N LEU A 60 14.891 -9.238 -5.283 1.00 0.48 N ATOM 926 CA LEU A 60 14.700 -7.814 -5.091 1.00 0.46 C ATOM 927 C LEU A 60 15.142 -7.077 -6.338 1.00 0.43 C ATOM 928 O LEU A 60 14.767 -5.934 -6.571 1.00 0.41 O ATOM 929 CB LEU A 60 15.492 -7.329 -3.885 1.00 0.48 C ATOM 930 CG LEU A 60 15.349 -8.205 -2.641 1.00 0.51 C ATOM 931 CD1 LEU A 60 16.191 -7.660 -1.505 1.00 0.51 C ATOM 932 CD2 LEU A 60 13.889 -8.314 -2.232 1.00 0.52 C ATOM 0 H LEU A 60 15.607 -9.655 -4.688 1.00 0.48 H new ATOM 0 HA LEU A 60 13.644 -7.616 -4.908 1.00 0.46 H new ATOM 0 HB2 LEU A 60 16.546 -7.274 -4.156 1.00 0.48 H new ATOM 0 HB3 LEU A 60 15.173 -6.316 -3.640 1.00 0.48 H new ATOM 0 HG LEU A 60 15.711 -9.205 -2.879 1.00 0.51 H new ATOM 0 HD11 LEU A 60 16.076 -8.297 -0.628 1.00 0.51 H new ATOM 0 HD12 LEU A 60 17.239 -7.642 -1.805 1.00 0.51 H new ATOM 0 HD13 LEU A 60 15.865 -6.648 -1.263 1.00 0.51 H new ATOM 0 HD21 LEU A 60 13.806 -8.941 -1.345 1.00 0.52 H new ATOM 0 HD22 LEU A 60 13.498 -7.321 -2.012 1.00 0.52 H new ATOM 0 HD23 LEU A 60 13.315 -8.758 -3.046 1.00 0.52 H new ATOM 944 N ASP A 61 15.936 -7.769 -7.139 1.00 0.46 N ATOM 945 CA ASP A 61 16.386 -7.249 -8.419 1.00 0.46 C ATOM 946 C ASP A 61 15.242 -7.315 -9.412 1.00 0.47 C ATOM 947 O ASP A 61 14.990 -6.379 -10.166 1.00 0.51 O ATOM 948 CB ASP A 61 17.568 -8.061 -8.946 1.00 0.47 C ATOM 949 CG ASP A 61 18.371 -7.312 -9.999 1.00 0.48 C ATOM 950 OD1 ASP A 61 17.951 -7.284 -11.182 1.00 1.22 O ATOM 951 OD2 ASP A 61 19.433 -6.751 -9.650 1.00 1.19 O ATOM 0 H ASP A 61 16.285 -8.702 -6.921 1.00 0.46 H new ATOM 0 HA ASP A 61 16.708 -6.216 -8.287 1.00 0.46 H new ATOM 0 HB2 ASP A 61 18.222 -8.324 -8.115 1.00 0.47 H new ATOM 0 HB3 ASP A 61 17.201 -8.995 -9.371 1.00 0.47 H new ATOM 956 N ARG A 62 14.545 -8.439 -9.381 1.00 0.47 N ATOM 957 CA ARG A 62 13.374 -8.648 -10.213 1.00 0.51 C ATOM 958 C ARG A 62 12.291 -7.651 -9.831 1.00 0.50 C ATOM 959 O ARG A 62 11.646 -7.052 -10.696 1.00 0.56 O ATOM 960 CB ARG A 62 12.864 -10.076 -10.033 1.00 0.55 C ATOM 961 CG ARG A 62 13.959 -11.121 -10.163 1.00 0.55 C ATOM 962 CD ARG A 62 13.483 -12.486 -9.719 1.00 0.62 C ATOM 963 NE ARG A 62 14.566 -13.469 -9.713 1.00 1.45 N ATOM 964 CZ ARG A 62 14.438 -14.727 -9.291 1.00 1.97 C ATOM 965 NH1 ARG A 62 13.261 -15.176 -8.864 1.00 1.66 N ATOM 966 NH2 ARG A 62 15.488 -15.535 -9.303 1.00 3.02 N ATOM 0 H ARG A 62 14.775 -9.230 -8.779 1.00 0.47 H new ATOM 0 HA ARG A 62 13.640 -8.497 -11.259 1.00 0.51 H new ATOM 0 HB2 ARG A 62 12.397 -10.168 -9.052 1.00 0.55 H new ATOM 0 HB3 ARG A 62 12.090 -10.275 -10.774 1.00 0.55 H new ATOM 0 HG2 ARG A 62 14.293 -11.171 -11.199 1.00 0.55 H new ATOM 0 HG3 ARG A 62 14.820 -10.823 -9.564 1.00 0.55 H new ATOM 0 HD2 ARG A 62 13.054 -12.413 -8.720 1.00 0.62 H new ATOM 0 HD3 ARG A 62 12.688 -12.826 -10.383 1.00 0.62 H new ATOM 0 HE ARG A 62 15.480 -13.172 -10.054 1.00 1.45 H new ATOM 0 HH11 ARG A 62 12.450 -14.557 -8.858 1.00 1.66 H new ATOM 0 HH12 ARG A 62 13.169 -16.140 -8.542 1.00 1.66 H new ATOM 0 HH21 ARG A 62 16.390 -15.194 -9.634 1.00 3.02 H new ATOM 0 HH22 ARG A 62 15.394 -16.498 -8.981 1.00 3.02 H new ATOM 980 N MET A 63 12.106 -7.472 -8.524 1.00 0.45 N ATOM 981 CA MET A 63 11.178 -6.472 -8.015 1.00 0.44 C ATOM 982 C MET A 63 11.625 -5.104 -8.483 1.00 0.41 C ATOM 983 O MET A 63 10.841 -4.354 -9.052 1.00 0.42 O ATOM 984 CB MET A 63 11.123 -6.475 -6.484 1.00 0.43 C ATOM 985 CG MET A 63 11.055 -7.863 -5.870 1.00 0.49 C ATOM 986 SD MET A 63 9.599 -8.800 -6.385 1.00 0.64 S ATOM 987 CE MET A 63 8.281 -7.825 -5.665 1.00 1.54 C ATOM 0 H MET A 63 12.587 -8.007 -7.802 1.00 0.45 H new ATOM 0 HA MET A 63 10.184 -6.711 -8.393 1.00 0.44 H new ATOM 0 HB2 MET A 63 12.003 -5.961 -6.098 1.00 0.43 H new ATOM 0 HB3 MET A 63 10.253 -5.903 -6.161 1.00 0.43 H new ATOM 0 HG2 MET A 63 11.952 -8.419 -6.144 1.00 0.49 H new ATOM 0 HG3 MET A 63 11.055 -7.773 -4.784 1.00 0.49 H new ATOM 0 HE1 MET A 63 7.358 -8.405 -5.664 1.00 1.54 H new ATOM 0 HE2 MET A 63 8.543 -7.559 -4.641 1.00 1.54 H new ATOM 0 HE3 MET A 63 8.139 -6.917 -6.251 1.00 1.54 H new ATOM 997 N MET A 64 12.905 -4.811 -8.247 1.00 0.41 N ATOM 998 CA MET A 64 13.514 -3.553 -8.655 1.00 0.42 C ATOM 999 C MET A 64 13.080 -3.151 -10.042 1.00 0.44 C ATOM 1000 O MET A 64 12.522 -2.093 -10.230 1.00 0.41 O ATOM 1001 CB MET A 64 15.037 -3.657 -8.640 1.00 0.55 C ATOM 1002 CG MET A 64 15.727 -2.434 -9.220 1.00 0.65 C ATOM 1003 SD MET A 64 17.463 -2.731 -9.579 1.00 1.87 S ATOM 1004 CE MET A 64 17.955 -1.120 -10.181 1.00 2.41 C ATOM 0 H MET A 64 13.546 -5.443 -7.767 1.00 0.41 H new ATOM 0 HA MET A 64 13.184 -2.799 -7.941 1.00 0.42 H new ATOM 0 HB2 MET A 64 15.374 -3.804 -7.614 1.00 0.55 H new ATOM 0 HB3 MET A 64 15.340 -4.539 -9.205 1.00 0.55 H new ATOM 0 HG2 MET A 64 15.216 -2.132 -10.134 1.00 0.65 H new ATOM 0 HG3 MET A 64 15.641 -1.605 -8.518 1.00 0.65 H new ATOM 0 HE1 MET A 64 19.040 -1.084 -10.279 1.00 2.41 H new ATOM 0 HE2 MET A 64 17.496 -0.939 -11.153 1.00 2.41 H new ATOM 0 HE3 MET A 64 17.629 -0.354 -9.478 1.00 2.41 H new ATOM 1014 N LYS A 65 13.301 -4.021 -10.996 1.00 0.52 N ATOM 1015 CA LYS A 65 13.120 -3.673 -12.394 1.00 0.56 C ATOM 1016 C LYS A 65 11.645 -3.595 -12.770 1.00 0.54 C ATOM 1017 O LYS A 65 11.278 -2.938 -13.744 1.00 0.60 O ATOM 1018 CB LYS A 65 13.853 -4.691 -13.247 1.00 0.66 C ATOM 1019 CG LYS A 65 15.292 -4.863 -12.803 1.00 0.79 C ATOM 1020 CD LYS A 65 16.133 -3.650 -13.155 1.00 0.86 C ATOM 1021 CE LYS A 65 17.571 -3.821 -12.692 1.00 1.57 C ATOM 1022 NZ LYS A 65 18.156 -5.112 -13.140 1.00 2.49 N ATOM 0 H LYS A 65 13.608 -4.980 -10.835 1.00 0.52 H new ATOM 0 HA LYS A 65 13.535 -2.681 -12.572 1.00 0.56 H new ATOM 0 HB2 LYS A 65 13.338 -5.650 -13.192 1.00 0.66 H new ATOM 0 HB3 LYS A 65 13.829 -4.376 -14.290 1.00 0.66 H new ATOM 0 HG2 LYS A 65 15.324 -5.029 -11.726 1.00 0.79 H new ATOM 0 HG3 LYS A 65 15.716 -5.750 -13.275 1.00 0.79 H new ATOM 0 HD2 LYS A 65 16.112 -3.491 -14.233 1.00 0.86 H new ATOM 0 HD3 LYS A 65 15.703 -2.761 -12.694 1.00 0.86 H new ATOM 0 HE2 LYS A 65 18.174 -2.998 -13.075 1.00 1.57 H new ATOM 0 HE3 LYS A 65 17.610 -3.765 -11.604 1.00 1.57 H new ATOM 0 HZ1 LYS A 65 19.176 -4.992 -13.305 1.00 2.49 H new ATOM 0 HZ2 LYS A 65 18.006 -5.834 -12.407 1.00 2.49 H new ATOM 0 HZ3 LYS A 65 17.696 -5.414 -14.022 1.00 2.49 H new ATOM 1036 N LYS A 66 10.807 -4.263 -11.996 1.00 0.50 N ATOM 1037 CA LYS A 66 9.366 -4.190 -12.190 1.00 0.52 C ATOM 1038 C LYS A 66 8.842 -2.861 -11.664 1.00 0.48 C ATOM 1039 O LYS A 66 7.891 -2.291 -12.197 1.00 0.55 O ATOM 1040 CB LYS A 66 8.677 -5.334 -11.444 1.00 0.55 C ATOM 1041 CG LYS A 66 7.186 -5.441 -11.726 1.00 0.91 C ATOM 1042 CD LYS A 66 6.522 -6.483 -10.838 1.00 0.96 C ATOM 1043 CE LYS A 66 6.292 -5.961 -9.424 1.00 0.73 C ATOM 1044 NZ LYS A 66 5.245 -4.904 -9.390 1.00 1.47 N ATOM 0 H LYS A 66 11.099 -4.864 -11.225 1.00 0.50 H new ATOM 0 HA LYS A 66 9.151 -4.273 -13.255 1.00 0.52 H new ATOM 0 HB2 LYS A 66 9.157 -6.274 -11.716 1.00 0.55 H new ATOM 0 HB3 LYS A 66 8.826 -5.198 -10.373 1.00 0.55 H new ATOM 0 HG2 LYS A 66 6.714 -4.472 -11.566 1.00 0.91 H new ATOM 0 HG3 LYS A 66 7.031 -5.702 -12.773 1.00 0.91 H new ATOM 0 HD2 LYS A 66 5.568 -6.778 -11.276 1.00 0.96 H new ATOM 0 HD3 LYS A 66 7.145 -7.377 -10.798 1.00 0.96 H new ATOM 0 HE2 LYS A 66 5.997 -6.786 -8.775 1.00 0.73 H new ATOM 0 HE3 LYS A 66 7.225 -5.561 -9.027 1.00 0.73 H new ATOM 0 HZ1 LYS A 66 4.947 -4.742 -8.407 1.00 1.47 H new ATOM 0 HZ2 LYS A 66 5.629 -4.022 -9.785 1.00 1.47 H new ATOM 0 HZ3 LYS A 66 4.426 -5.208 -9.954 1.00 1.47 H new ATOM 1058 N LEU A 67 9.487 -2.378 -10.616 1.00 0.41 N ATOM 1059 CA LEU A 67 9.041 -1.188 -9.908 1.00 0.39 C ATOM 1060 C LEU A 67 9.753 0.054 -10.412 1.00 0.40 C ATOM 1061 O LEU A 67 9.152 1.121 -10.478 1.00 0.46 O ATOM 1062 CB LEU A 67 9.334 -1.349 -8.434 1.00 0.34 C ATOM 1063 CG LEU A 67 8.888 -2.674 -7.825 1.00 0.33 C ATOM 1064 CD1 LEU A 67 9.479 -2.839 -6.440 1.00 0.30 C ATOM 1065 CD2 LEU A 67 7.374 -2.764 -7.783 1.00 0.37 C ATOM 0 H LEU A 67 10.333 -2.798 -10.232 1.00 0.41 H new ATOM 0 HA LEU A 67 7.971 -1.071 -10.081 1.00 0.39 H new ATOM 0 HB2 LEU A 67 10.407 -1.239 -8.279 1.00 0.34 H new ATOM 0 HB3 LEU A 67 8.849 -0.537 -7.893 1.00 0.34 H new ATOM 0 HG LEU A 67 9.253 -3.486 -8.454 1.00 0.33 H new ATOM 0 HD11 LEU A 67 9.153 -3.789 -6.016 1.00 0.30 H new ATOM 0 HD12 LEU A 67 10.567 -2.825 -6.505 1.00 0.30 H new ATOM 0 HD13 LEU A 67 9.143 -2.022 -5.801 1.00 0.30 H new ATOM 0 HD21 LEU A 67 7.078 -3.717 -7.345 1.00 0.37 H new ATOM 0 HD22 LEU A 67 6.978 -1.948 -7.178 1.00 0.37 H new ATOM 0 HD23 LEU A 67 6.977 -2.691 -8.796 1.00 0.37 H new ATOM 1077 N ASP A 68 11.047 -0.102 -10.718 1.00 0.40 N ATOM 1078 CA ASP A 68 11.888 0.964 -11.270 1.00 0.42 C ATOM 1079 C ASP A 68 11.345 1.361 -12.632 1.00 0.52 C ATOM 1080 O ASP A 68 11.873 1.011 -13.691 1.00 0.56 O ATOM 1081 CB ASP A 68 13.353 0.486 -11.355 1.00 0.43 C ATOM 1082 CG ASP A 68 14.286 1.448 -12.073 1.00 0.46 C ATOM 1083 OD1 ASP A 68 14.377 2.626 -11.674 1.00 1.13 O ATOM 1084 OD2 ASP A 68 14.940 1.017 -13.047 1.00 1.23 O ATOM 0 H ASP A 68 11.544 -0.983 -10.587 1.00 0.40 H new ATOM 0 HA ASP A 68 11.868 1.839 -10.621 1.00 0.42 H new ATOM 0 HB2 ASP A 68 13.728 0.321 -10.345 1.00 0.43 H new ATOM 0 HB3 ASP A 68 13.380 -0.476 -11.866 1.00 0.43 H new ATOM 1089 N THR A 69 10.238 2.051 -12.565 1.00 0.59 N ATOM 1090 CA THR A 69 9.481 2.453 -13.722 1.00 0.74 C ATOM 1091 C THR A 69 10.054 3.739 -14.292 1.00 0.84 C ATOM 1092 O THR A 69 9.871 4.060 -15.468 1.00 0.99 O ATOM 1093 CB THR A 69 8.000 2.629 -13.333 1.00 0.79 C ATOM 1094 OG1 THR A 69 7.164 2.577 -14.497 1.00 0.90 O ATOM 1095 CG2 THR A 69 7.783 3.950 -12.613 1.00 0.83 C ATOM 0 H THR A 69 9.827 2.357 -11.683 1.00 0.59 H new ATOM 0 HA THR A 69 9.546 1.683 -14.491 1.00 0.74 H new ATOM 0 HB THR A 69 7.733 1.812 -12.662 1.00 0.79 H new ATOM 0 HG1 THR A 69 6.227 2.689 -14.232 1.00 0.90 H new ATOM 0 HG21 THR A 69 6.730 4.052 -12.349 1.00 0.83 H new ATOM 0 HG22 THR A 69 8.389 3.974 -11.707 1.00 0.83 H new ATOM 0 HG23 THR A 69 8.074 4.773 -13.266 1.00 0.83 H new ATOM 1103 N ASN A 70 10.768 4.465 -13.445 1.00 0.80 N ATOM 1104 CA ASN A 70 11.486 5.648 -13.872 1.00 0.94 C ATOM 1105 C ASN A 70 12.800 5.214 -14.496 1.00 0.86 C ATOM 1106 O ASN A 70 13.474 5.971 -15.197 1.00 0.97 O ATOM 1107 CB ASN A 70 11.744 6.546 -12.670 1.00 1.01 C ATOM 1108 CG ASN A 70 11.787 8.018 -13.026 1.00 1.25 C ATOM 1109 OD1 ASN A 70 12.147 8.398 -14.140 1.00 1.46 O ATOM 1110 ND2 ASN A 70 11.419 8.862 -12.072 1.00 1.66 N ATOM 0 H ASN A 70 10.863 4.251 -12.452 1.00 0.80 H new ATOM 0 HA ASN A 70 10.900 6.205 -14.603 1.00 0.94 H new ATOM 0 HB2 ASN A 70 10.964 6.381 -11.927 1.00 1.01 H new ATOM 0 HB3 ASN A 70 12.690 6.262 -12.208 1.00 1.01 H new ATOM 0 HD21 ASN A 70 11.428 9.867 -12.249 1.00 1.66 H new ATOM 0 HD22 ASN A 70 11.127 8.507 -11.162 1.00 1.66 H new ATOM 1117 N SER A 71 13.123 3.951 -14.223 1.00 0.70 N ATOM 1118 CA SER A 71 14.239 3.245 -14.830 1.00 0.66 C ATOM 1119 C SER A 71 15.564 3.953 -14.601 1.00 0.61 C ATOM 1120 O SER A 71 16.418 4.007 -15.489 1.00 0.65 O ATOM 1121 CB SER A 71 13.978 3.030 -16.319 1.00 0.82 C ATOM 1122 OG SER A 71 12.775 2.304 -16.509 1.00 1.47 O ATOM 0 H SER A 71 12.601 3.381 -13.557 1.00 0.70 H new ATOM 0 HA SER A 71 14.319 2.273 -14.343 1.00 0.66 H new ATOM 0 HB2 SER A 71 13.914 3.993 -16.826 1.00 0.82 H new ATOM 0 HB3 SER A 71 14.812 2.489 -16.767 1.00 0.82 H new ATOM 0 HG SER A 71 12.503 1.893 -15.662 1.00 1.47 H new ATOM 1128 N ASP A 72 15.743 4.467 -13.397 1.00 0.58 N ATOM 1129 CA ASP A 72 16.990 5.113 -13.037 1.00 0.65 C ATOM 1130 C ASP A 72 17.754 4.256 -12.040 1.00 0.56 C ATOM 1131 O ASP A 72 18.928 4.509 -11.763 1.00 0.66 O ATOM 1132 CB ASP A 72 16.760 6.527 -12.485 1.00 0.80 C ATOM 1133 CG ASP A 72 16.050 6.559 -11.145 1.00 0.93 C ATOM 1134 OD1 ASP A 72 16.733 6.465 -10.108 1.00 1.53 O ATOM 1135 OD2 ASP A 72 14.813 6.721 -11.125 1.00 1.56 O ATOM 0 H ASP A 72 15.043 4.449 -12.655 1.00 0.58 H new ATOM 0 HA ASP A 72 17.589 5.217 -13.942 1.00 0.65 H new ATOM 0 HB2 ASP A 72 17.723 7.028 -12.386 1.00 0.80 H new ATOM 0 HB3 ASP A 72 16.176 7.097 -13.207 1.00 0.80 H new ATOM 1140 N GLY A 73 17.097 3.230 -11.515 1.00 0.45 N ATOM 1141 CA GLY A 73 17.774 2.305 -10.629 1.00 0.46 C ATOM 1142 C GLY A 73 17.416 2.526 -9.182 1.00 0.41 C ATOM 1143 O GLY A 73 18.130 2.076 -8.280 1.00 0.44 O ATOM 0 H GLY A 73 16.113 3.023 -11.686 1.00 0.45 H new ATOM 0 HA2 GLY A 73 17.519 1.284 -10.911 1.00 0.46 H new ATOM 0 HA3 GLY A 73 18.852 2.410 -10.754 1.00 0.46 H new ATOM 1147 N GLN A 74 16.320 3.225 -8.957 1.00 0.38 N ATOM 1148 CA GLN A 74 15.833 3.473 -7.620 1.00 0.37 C ATOM 1149 C GLN A 74 14.330 3.304 -7.601 1.00 0.36 C ATOM 1150 O GLN A 74 13.695 3.225 -8.649 1.00 0.39 O ATOM 1151 CB GLN A 74 16.171 4.890 -7.157 1.00 0.38 C ATOM 1152 CG GLN A 74 17.630 5.281 -7.293 1.00 0.42 C ATOM 1153 CD GLN A 74 17.915 6.665 -6.741 1.00 0.50 C ATOM 1154 OE1 GLN A 74 18.179 6.742 -5.448 1.00 1.03 O flip ATOM 1155 NE2 GLN A 74 17.877 7.660 -7.465 1.00 1.25 N flip ATOM 0 H GLN A 74 15.747 3.634 -9.695 1.00 0.38 H new ATOM 0 HA GLN A 74 16.313 2.763 -6.947 1.00 0.37 H new ATOM 0 HB2 GLN A 74 15.567 5.596 -7.728 1.00 0.38 H new ATOM 0 HB3 GLN A 74 15.879 4.993 -6.112 1.00 0.38 H new ATOM 0 HG2 GLN A 74 18.249 4.551 -6.771 1.00 0.42 H new ATOM 0 HG3 GLN A 74 17.915 5.247 -8.344 1.00 0.42 H new ATOM 0 HE21 GLN A 74 17.670 7.560 -8.459 1.00 1.25 H new ATOM 0 HE22 GLN A 74 18.053 8.584 -7.071 1.00 1.25 H new ATOM 1164 N LEU A 75 13.767 3.250 -6.414 1.00 0.33 N ATOM 1165 CA LEU A 75 12.331 3.170 -6.276 1.00 0.32 C ATOM 1166 C LEU A 75 11.793 4.383 -5.567 1.00 0.32 C ATOM 1167 O LEU A 75 12.075 4.612 -4.389 1.00 0.32 O ATOM 1168 CB LEU A 75 11.917 1.907 -5.534 1.00 0.31 C ATOM 1169 CG LEU A 75 12.394 0.620 -6.191 1.00 0.33 C ATOM 1170 CD1 LEU A 75 11.902 -0.592 -5.419 1.00 0.35 C ATOM 1171 CD2 LEU A 75 11.925 0.580 -7.639 1.00 0.35 C ATOM 0 H LEU A 75 14.281 3.260 -5.533 1.00 0.33 H new ATOM 0 HA LEU A 75 11.907 3.133 -7.280 1.00 0.32 H new ATOM 0 HB2 LEU A 75 12.308 1.950 -4.517 1.00 0.31 H new ATOM 0 HB3 LEU A 75 10.830 1.883 -5.457 1.00 0.31 H new ATOM 0 HG LEU A 75 13.484 0.595 -6.178 1.00 0.33 H new ATOM 0 HD11 LEU A 75 12.254 -1.501 -5.906 1.00 0.35 H new ATOM 0 HD12 LEU A 75 12.286 -0.554 -4.399 1.00 0.35 H new ATOM 0 HD13 LEU A 75 10.812 -0.591 -5.397 1.00 0.35 H new ATOM 0 HD21 LEU A 75 12.268 -0.343 -8.107 1.00 0.35 H new ATOM 0 HD22 LEU A 75 10.836 0.620 -7.670 1.00 0.35 H new ATOM 0 HD23 LEU A 75 12.335 1.434 -8.178 1.00 0.35 H new ATOM 1183 N ASP A 76 11.050 5.177 -6.305 1.00 0.35 N ATOM 1184 CA ASP A 76 10.354 6.313 -5.740 1.00 0.36 C ATOM 1185 C ASP A 76 9.110 5.804 -5.031 1.00 0.33 C ATOM 1186 O ASP A 76 8.829 4.607 -5.067 1.00 0.32 O ATOM 1187 CB ASP A 76 10.031 7.341 -6.836 1.00 0.44 C ATOM 1188 CG ASP A 76 8.544 7.514 -7.099 1.00 0.91 C ATOM 1189 OD1 ASP A 76 7.961 6.691 -7.827 1.00 1.68 O ATOM 1190 OD2 ASP A 76 7.951 8.478 -6.565 1.00 1.45 O ATOM 0 H ASP A 76 10.911 5.055 -7.308 1.00 0.35 H new ATOM 0 HA ASP A 76 10.980 6.829 -5.012 1.00 0.36 H new ATOM 0 HB2 ASP A 76 10.454 8.305 -6.553 1.00 0.44 H new ATOM 0 HB3 ASP A 76 10.521 7.037 -7.761 1.00 0.44 H new ATOM 1195 N PHE A 77 8.377 6.687 -4.378 1.00 0.41 N ATOM 1196 CA PHE A 77 7.276 6.270 -3.533 1.00 0.49 C ATOM 1197 C PHE A 77 6.269 5.435 -4.311 1.00 0.39 C ATOM 1198 O PHE A 77 5.899 4.355 -3.872 1.00 0.39 O ATOM 1199 CB PHE A 77 6.603 7.478 -2.904 1.00 0.72 C ATOM 1200 CG PHE A 77 5.810 7.140 -1.677 1.00 1.76 C ATOM 1201 CD1 PHE A 77 6.365 6.370 -0.668 1.00 2.56 C ATOM 1202 CD2 PHE A 77 4.514 7.588 -1.530 1.00 2.66 C ATOM 1203 CE1 PHE A 77 5.642 6.056 0.462 1.00 3.67 C ATOM 1204 CE2 PHE A 77 3.787 7.278 -0.401 1.00 3.77 C ATOM 1205 CZ PHE A 77 4.350 6.511 0.597 1.00 4.15 C ATOM 0 H PHE A 77 8.525 7.696 -4.417 1.00 0.41 H new ATOM 0 HA PHE A 77 7.680 5.645 -2.737 1.00 0.49 H new ATOM 0 HB2 PHE A 77 7.363 8.216 -2.646 1.00 0.72 H new ATOM 0 HB3 PHE A 77 5.944 7.942 -3.638 1.00 0.72 H new ATOM 0 HD1 PHE A 77 7.379 6.011 -0.769 1.00 2.56 H new ATOM 0 HD2 PHE A 77 4.064 8.188 -2.307 1.00 2.66 H new ATOM 0 HE1 PHE A 77 6.088 5.454 1.240 1.00 3.67 H new ATOM 0 HE2 PHE A 77 2.774 7.637 -0.298 1.00 3.77 H new ATOM 0 HZ PHE A 77 3.779 6.268 1.481 1.00 4.15 H new ATOM 1215 N SER A 78 5.861 5.908 -5.481 1.00 0.39 N ATOM 1216 CA SER A 78 4.894 5.176 -6.288 1.00 0.38 C ATOM 1217 C SER A 78 5.471 3.834 -6.738 1.00 0.38 C ATOM 1218 O SER A 78 4.744 2.851 -6.881 1.00 0.44 O ATOM 1219 CB SER A 78 4.442 6.003 -7.500 1.00 0.45 C ATOM 1220 OG SER A 78 5.514 6.301 -8.384 1.00 1.31 O ATOM 0 H SER A 78 6.181 6.786 -5.889 1.00 0.39 H new ATOM 0 HA SER A 78 4.019 4.985 -5.667 1.00 0.38 H new ATOM 0 HB2 SER A 78 3.670 5.457 -8.041 1.00 0.45 H new ATOM 0 HB3 SER A 78 3.991 6.933 -7.154 1.00 0.45 H new ATOM 0 HG SER A 78 6.257 6.690 -7.877 1.00 1.31 H new ATOM 1226 N GLU A 79 6.783 3.791 -6.922 1.00 0.36 N ATOM 1227 CA GLU A 79 7.456 2.582 -7.376 1.00 0.42 C ATOM 1228 C GLU A 79 7.571 1.575 -6.232 1.00 0.33 C ATOM 1229 O GLU A 79 7.323 0.380 -6.408 1.00 0.33 O ATOM 1230 CB GLU A 79 8.834 2.938 -7.939 1.00 0.51 C ATOM 1231 CG GLU A 79 8.760 3.957 -9.067 1.00 0.64 C ATOM 1232 CD GLU A 79 10.114 4.358 -9.621 1.00 1.81 C ATOM 1233 OE1 GLU A 79 10.837 5.116 -8.945 1.00 2.57 O ATOM 1234 OE2 GLU A 79 10.437 3.955 -10.753 1.00 2.54 O ATOM 0 H GLU A 79 7.405 4.583 -6.763 1.00 0.36 H new ATOM 0 HA GLU A 79 6.868 2.119 -8.169 1.00 0.42 H new ATOM 0 HB2 GLU A 79 9.459 3.333 -7.138 1.00 0.51 H new ATOM 0 HB3 GLU A 79 9.318 2.032 -8.304 1.00 0.51 H new ATOM 0 HG2 GLU A 79 8.154 3.547 -9.875 1.00 0.64 H new ATOM 0 HG3 GLU A 79 8.247 4.848 -8.705 1.00 0.64 H new ATOM 1241 N PHE A 80 7.910 2.072 -5.052 1.00 0.28 N ATOM 1242 CA PHE A 80 8.028 1.230 -3.870 1.00 0.25 C ATOM 1243 C PHE A 80 6.636 0.842 -3.361 1.00 0.23 C ATOM 1244 O PHE A 80 6.470 -0.170 -2.692 1.00 0.26 O ATOM 1245 CB PHE A 80 8.837 1.957 -2.786 1.00 0.31 C ATOM 1246 CG PHE A 80 9.235 1.098 -1.617 1.00 0.71 C ATOM 1247 CD1 PHE A 80 10.356 0.287 -1.689 1.00 1.26 C ATOM 1248 CD2 PHE A 80 8.497 1.114 -0.444 1.00 1.60 C ATOM 1249 CE1 PHE A 80 10.734 -0.493 -0.611 1.00 1.56 C ATOM 1250 CE2 PHE A 80 8.869 0.335 0.635 1.00 1.98 C ATOM 1251 CZ PHE A 80 9.988 -0.469 0.552 1.00 1.64 C ATOM 0 H PHE A 80 8.109 3.059 -4.887 1.00 0.28 H new ATOM 0 HA PHE A 80 8.559 0.314 -4.130 1.00 0.25 H new ATOM 0 HB2 PHE A 80 9.738 2.370 -3.240 1.00 0.31 H new ATOM 0 HB3 PHE A 80 8.251 2.799 -2.418 1.00 0.31 H new ATOM 0 HD1 PHE A 80 10.941 0.264 -2.597 1.00 1.26 H new ATOM 0 HD2 PHE A 80 7.621 1.742 -0.372 1.00 1.60 H new ATOM 0 HE1 PHE A 80 11.611 -1.120 -0.678 1.00 1.56 H new ATOM 0 HE2 PHE A 80 8.284 0.355 1.543 1.00 1.98 H new ATOM 0 HZ PHE A 80 10.280 -1.078 1.395 1.00 1.64 H new ATOM 1261 N LEU A 81 5.634 1.647 -3.695 1.00 0.25 N ATOM 1262 CA LEU A 81 4.252 1.311 -3.369 1.00 0.26 C ATOM 1263 C LEU A 81 3.716 0.261 -4.318 1.00 0.26 C ATOM 1264 O LEU A 81 2.909 -0.583 -3.933 1.00 0.27 O ATOM 1265 CB LEU A 81 3.352 2.534 -3.418 1.00 0.29 C ATOM 1266 CG LEU A 81 3.608 3.577 -2.334 1.00 0.28 C ATOM 1267 CD1 LEU A 81 2.562 4.669 -2.411 1.00 0.34 C ATOM 1268 CD2 LEU A 81 3.628 2.929 -0.953 1.00 0.29 C ATOM 0 H LEU A 81 5.751 2.532 -4.188 1.00 0.25 H new ATOM 0 HA LEU A 81 4.251 0.918 -2.352 1.00 0.26 H new ATOM 0 HB2 LEU A 81 3.467 3.010 -4.392 1.00 0.29 H new ATOM 0 HB3 LEU A 81 2.315 2.205 -3.345 1.00 0.29 H new ATOM 0 HG LEU A 81 4.587 4.025 -2.501 1.00 0.28 H new ATOM 0 HD11 LEU A 81 2.751 5.410 -1.634 1.00 0.34 H new ATOM 0 HD12 LEU A 81 2.608 5.149 -3.389 1.00 0.34 H new ATOM 0 HD13 LEU A 81 1.572 4.236 -2.266 1.00 0.34 H new ATOM 0 HD21 LEU A 81 3.812 3.691 -0.196 1.00 0.29 H new ATOM 0 HD22 LEU A 81 2.667 2.452 -0.761 1.00 0.29 H new ATOM 0 HD23 LEU A 81 4.419 2.180 -0.914 1.00 0.29 H new ATOM 1280 N ASN A 82 4.151 0.328 -5.568 1.00 0.26 N ATOM 1281 CA ASN A 82 3.845 -0.722 -6.527 1.00 0.26 C ATOM 1282 C ASN A 82 4.329 -2.055 -5.985 1.00 0.23 C ATOM 1283 O ASN A 82 3.709 -3.103 -6.186 1.00 0.25 O ATOM 1284 CB ASN A 82 4.516 -0.441 -7.869 1.00 0.30 C ATOM 1285 CG ASN A 82 3.576 0.180 -8.884 1.00 0.79 C ATOM 1286 OD1 ASN A 82 2.924 -0.528 -9.653 1.00 1.51 O ATOM 1287 ND2 ASN A 82 3.502 1.502 -8.902 1.00 1.42 N ATOM 0 H ASN A 82 4.713 1.093 -5.940 1.00 0.26 H new ATOM 0 HA ASN A 82 2.766 -0.753 -6.680 1.00 0.26 H new ATOM 0 HB2 ASN A 82 5.364 0.226 -7.712 1.00 0.30 H new ATOM 0 HB3 ASN A 82 4.913 -1.373 -8.272 1.00 0.30 H new ATOM 0 HD21 ASN A 82 2.889 1.969 -9.570 1.00 1.42 H new ATOM 0 HD22 ASN A 82 4.058 2.053 -8.248 1.00 1.42 H new ATOM 1294 N LEU A 83 5.457 -1.991 -5.299 1.00 0.23 N ATOM 1295 CA LEU A 83 5.991 -3.122 -4.575 1.00 0.24 C ATOM 1296 C LEU A 83 5.008 -3.596 -3.521 1.00 0.23 C ATOM 1297 O LEU A 83 4.671 -4.774 -3.467 1.00 0.25 O ATOM 1298 CB LEU A 83 7.292 -2.722 -3.909 1.00 0.27 C ATOM 1299 CG LEU A 83 7.762 -3.663 -2.812 1.00 0.31 C ATOM 1300 CD1 LEU A 83 8.219 -4.989 -3.398 1.00 0.35 C ATOM 1301 CD2 LEU A 83 8.858 -3.014 -1.993 1.00 0.36 C ATOM 0 H LEU A 83 6.027 -1.148 -5.231 1.00 0.23 H new ATOM 0 HA LEU A 83 6.167 -3.937 -5.278 1.00 0.24 H new ATOM 0 HB2 LEU A 83 8.069 -2.658 -4.671 1.00 0.27 H new ATOM 0 HB3 LEU A 83 7.176 -1.724 -3.487 1.00 0.27 H new ATOM 0 HG LEU A 83 6.923 -3.869 -2.147 1.00 0.31 H new ATOM 0 HD11 LEU A 83 8.551 -5.647 -2.595 1.00 0.35 H new ATOM 0 HD12 LEU A 83 7.391 -5.456 -3.931 1.00 0.35 H new ATOM 0 HD13 LEU A 83 9.044 -4.816 -4.090 1.00 0.35 H new ATOM 0 HD21 LEU A 83 9.184 -3.701 -1.212 1.00 0.36 H new ATOM 0 HD22 LEU A 83 9.702 -2.774 -2.640 1.00 0.36 H new ATOM 0 HD23 LEU A 83 8.479 -2.099 -1.537 1.00 0.36 H new ATOM 1313 N ILE A 84 4.564 -2.664 -2.687 1.00 0.24 N ATOM 1314 CA ILE A 84 3.577 -2.947 -1.655 1.00 0.26 C ATOM 1315 C ILE A 84 2.343 -3.617 -2.257 1.00 0.27 C ATOM 1316 O ILE A 84 1.724 -4.469 -1.625 1.00 0.29 O ATOM 1317 CB ILE A 84 3.197 -1.653 -0.893 1.00 0.29 C ATOM 1318 CG1 ILE A 84 4.073 -1.492 0.353 1.00 0.55 C ATOM 1319 CG2 ILE A 84 1.722 -1.629 -0.503 1.00 0.47 C ATOM 1320 CD1 ILE A 84 5.546 -1.317 0.060 1.00 0.62 C ATOM 0 H ILE A 84 4.877 -1.694 -2.707 1.00 0.24 H new ATOM 0 HA ILE A 84 4.017 -3.640 -0.938 1.00 0.26 H new ATOM 0 HB ILE A 84 3.372 -0.816 -1.569 1.00 0.29 H new ATOM 0 HG12 ILE A 84 3.722 -0.630 0.920 1.00 0.55 H new ATOM 0 HG13 ILE A 84 3.943 -2.367 0.990 1.00 0.55 H new ATOM 0 HG21 ILE A 84 1.501 -0.704 0.029 1.00 0.47 H new ATOM 0 HG22 ILE A 84 1.107 -1.687 -1.401 1.00 0.47 H new ATOM 0 HG23 ILE A 84 1.502 -2.480 0.142 1.00 0.47 H new ATOM 0 HD11 ILE A 84 6.093 -1.210 0.997 1.00 0.62 H new ATOM 0 HD12 ILE A 84 5.916 -2.189 -0.479 1.00 0.62 H new ATOM 0 HD13 ILE A 84 5.692 -0.425 -0.549 1.00 0.62 H new ATOM 1332 N GLY A 85 2.017 -3.249 -3.489 1.00 0.26 N ATOM 1333 CA GLY A 85 0.946 -3.905 -4.204 1.00 0.29 C ATOM 1334 C GLY A 85 1.201 -5.391 -4.360 1.00 0.29 C ATOM 1335 O GLY A 85 0.364 -6.208 -3.990 1.00 0.33 O ATOM 0 H GLY A 85 2.480 -2.502 -4.007 1.00 0.26 H new ATOM 0 HA2 GLY A 85 0.007 -3.751 -3.673 1.00 0.29 H new ATOM 0 HA3 GLY A 85 0.834 -3.450 -5.188 1.00 0.29 H new ATOM 1339 N GLY A 86 2.383 -5.743 -4.859 1.00 0.28 N ATOM 1340 CA GLY A 86 2.698 -7.141 -5.104 1.00 0.31 C ATOM 1341 C GLY A 86 2.948 -7.890 -3.813 1.00 0.29 C ATOM 1342 O GLY A 86 2.688 -9.090 -3.709 1.00 0.35 O ATOM 0 H GLY A 86 3.127 -5.087 -5.098 1.00 0.28 H new ATOM 0 HA2 GLY A 86 1.876 -7.610 -5.644 1.00 0.31 H new ATOM 0 HA3 GLY A 86 3.579 -7.210 -5.742 1.00 0.31 H new ATOM 1346 N LEU A 87 3.435 -7.156 -2.830 1.00 0.25 N ATOM 1347 CA LEU A 87 3.695 -7.683 -1.502 1.00 0.25 C ATOM 1348 C LEU A 87 2.394 -8.055 -0.825 1.00 0.26 C ATOM 1349 O LEU A 87 2.182 -9.199 -0.426 1.00 0.29 O ATOM 1350 CB LEU A 87 4.382 -6.620 -0.661 1.00 0.25 C ATOM 1351 CG LEU A 87 5.849 -6.359 -0.963 1.00 0.26 C ATOM 1352 CD1 LEU A 87 6.308 -5.141 -0.191 1.00 0.26 C ATOM 1353 CD2 LEU A 87 6.697 -7.566 -0.598 1.00 0.35 C ATOM 0 H LEU A 87 3.664 -6.167 -2.931 1.00 0.25 H new ATOM 0 HA LEU A 87 4.329 -8.565 -1.595 1.00 0.25 H new ATOM 0 HB2 LEU A 87 3.837 -5.684 -0.783 1.00 0.25 H new ATOM 0 HB3 LEU A 87 4.295 -6.906 0.387 1.00 0.25 H new ATOM 0 HG LEU A 87 5.966 -6.178 -2.031 1.00 0.26 H new ATOM 0 HD11 LEU A 87 7.360 -4.950 -0.404 1.00 0.26 H new ATOM 0 HD12 LEU A 87 5.714 -4.277 -0.489 1.00 0.26 H new ATOM 0 HD13 LEU A 87 6.181 -5.318 0.877 1.00 0.26 H new ATOM 0 HD21 LEU A 87 7.743 -7.357 -0.822 1.00 0.35 H new ATOM 0 HD22 LEU A 87 6.589 -7.778 0.466 1.00 0.35 H new ATOM 0 HD23 LEU A 87 6.368 -8.430 -1.175 1.00 0.35 H new ATOM 1365 N ALA A 88 1.529 -7.060 -0.705 1.00 0.25 N ATOM 1366 CA ALA A 88 0.250 -7.228 -0.054 1.00 0.27 C ATOM 1367 C ALA A 88 -0.534 -8.329 -0.703 1.00 0.30 C ATOM 1368 O ALA A 88 -1.173 -9.128 -0.035 1.00 0.35 O ATOM 1369 CB ALA A 88 -0.554 -5.948 -0.116 1.00 0.27 C ATOM 0 H ALA A 88 1.698 -6.118 -1.057 1.00 0.25 H new ATOM 0 HA ALA A 88 0.441 -7.485 0.988 1.00 0.27 H new ATOM 0 HB1 ALA A 88 -1.513 -6.096 0.380 1.00 0.27 H new ATOM 0 HB2 ALA A 88 -0.006 -5.150 0.385 1.00 0.27 H new ATOM 0 HB3 ALA A 88 -0.723 -5.674 -1.158 1.00 0.27 H new ATOM 1375 N MET A 89 -0.481 -8.351 -2.019 1.00 0.29 N ATOM 1376 CA MET A 89 -1.198 -9.336 -2.791 1.00 0.33 C ATOM 1377 C MET A 89 -0.737 -10.745 -2.456 1.00 0.34 C ATOM 1378 O MET A 89 -1.553 -11.658 -2.348 1.00 0.39 O ATOM 1379 CB MET A 89 -1.030 -9.056 -4.277 1.00 0.35 C ATOM 1380 CG MET A 89 -1.865 -7.887 -4.755 1.00 0.42 C ATOM 1381 SD MET A 89 -2.060 -7.865 -6.549 1.00 1.03 S ATOM 1382 CE MET A 89 -0.355 -7.755 -7.084 1.00 1.89 C ATOM 0 H MET A 89 0.058 -7.689 -2.578 1.00 0.29 H new ATOM 0 HA MET A 89 -2.255 -9.266 -2.534 1.00 0.33 H new ATOM 0 HB2 MET A 89 0.021 -8.855 -4.487 1.00 0.35 H new ATOM 0 HB3 MET A 89 -1.304 -9.947 -4.843 1.00 0.35 H new ATOM 0 HG2 MET A 89 -2.848 -7.931 -4.286 1.00 0.42 H new ATOM 0 HG3 MET A 89 -1.399 -6.956 -4.432 1.00 0.42 H new ATOM 0 HE1 MET A 89 -0.316 -7.732 -8.173 1.00 1.89 H new ATOM 0 HE2 MET A 89 0.093 -6.845 -6.686 1.00 1.89 H new ATOM 0 HE3 MET A 89 0.197 -8.621 -6.719 1.00 1.89 H new ATOM 1392 N ALA A 90 0.564 -10.899 -2.250 1.00 0.34 N ATOM 1393 CA ALA A 90 1.146 -12.200 -1.951 1.00 0.40 C ATOM 1394 C ALA A 90 0.676 -12.715 -0.592 1.00 0.42 C ATOM 1395 O ALA A 90 0.494 -13.915 -0.396 1.00 0.49 O ATOM 1396 CB ALA A 90 2.663 -12.120 -2.001 1.00 0.46 C ATOM 0 H ALA A 90 1.239 -10.135 -2.285 1.00 0.34 H new ATOM 0 HA ALA A 90 0.808 -12.908 -2.708 1.00 0.40 H new ATOM 0 HB1 ALA A 90 3.087 -13.099 -1.776 1.00 0.46 H new ATOM 0 HB2 ALA A 90 2.978 -11.809 -2.997 1.00 0.46 H new ATOM 0 HB3 ALA A 90 3.014 -11.395 -1.266 1.00 0.46 H new ATOM 1402 N CYS A 91 0.470 -11.801 0.338 1.00 0.41 N ATOM 1403 CA CYS A 91 -0.001 -12.157 1.665 1.00 0.47 C ATOM 1404 C CYS A 91 -1.520 -12.272 1.655 1.00 0.45 C ATOM 1405 O CYS A 91 -2.097 -13.052 2.405 1.00 0.51 O ATOM 1406 CB CYS A 91 0.464 -11.118 2.697 1.00 0.55 C ATOM 1407 SG CYS A 91 0.122 -11.565 4.417 1.00 1.76 S ATOM 0 H CYS A 91 0.622 -10.802 0.199 1.00 0.41 H new ATOM 0 HA CYS A 91 0.421 -13.121 1.948 1.00 0.47 H new ATOM 0 HB2 CYS A 91 1.537 -10.964 2.581 1.00 0.55 H new ATOM 0 HB3 CYS A 91 -0.020 -10.166 2.479 1.00 0.55 H new ATOM 0 HG CYS A 91 0.555 -10.625 5.204 1.00 1.76 H new ATOM 1413 N HIS A 92 -2.157 -11.492 0.790 1.00 0.41 N ATOM 1414 CA HIS A 92 -3.597 -11.562 0.598 1.00 0.46 C ATOM 1415 C HIS A 92 -3.985 -12.926 0.066 1.00 0.45 C ATOM 1416 O HIS A 92 -4.863 -13.580 0.616 1.00 0.49 O ATOM 1417 CB HIS A 92 -4.072 -10.466 -0.367 1.00 0.54 C ATOM 1418 CG HIS A 92 -5.514 -10.578 -0.785 1.00 1.21 C ATOM 1419 ND1 HIS A 92 -6.550 -9.949 -0.119 1.00 2.13 N ATOM 1420 CD2 HIS A 92 -6.088 -11.237 -1.821 1.00 1.96 C ATOM 1421 CE1 HIS A 92 -7.692 -10.221 -0.729 1.00 2.74 C ATOM 1422 NE2 HIS A 92 -7.437 -10.999 -1.763 1.00 2.62 N ATOM 0 H HIS A 92 -1.691 -10.797 0.206 1.00 0.41 H new ATOM 0 HA HIS A 92 -4.080 -11.404 1.562 1.00 0.46 H new ATOM 0 HB2 HIS A 92 -3.919 -9.495 0.104 1.00 0.54 H new ATOM 0 HB3 HIS A 92 -3.446 -10.490 -1.259 1.00 0.54 H new ATOM 0 HD2 HIS A 92 -5.576 -11.839 -2.557 1.00 1.96 H new ATOM 0 HE1 HIS A 92 -8.668 -9.866 -0.431 1.00 2.74 H new ATOM 0 HE2 HIS A 92 -8.131 -11.365 -2.414 1.00 2.62 H new ATOM 1431 N ASP A 93 -3.330 -13.352 -1.007 1.00 0.45 N ATOM 1432 CA ASP A 93 -3.636 -14.633 -1.602 1.00 0.52 C ATOM 1433 C ASP A 93 -3.356 -15.747 -0.612 1.00 0.56 C ATOM 1434 O ASP A 93 -4.150 -16.669 -0.456 1.00 0.65 O ATOM 1435 CB ASP A 93 -2.866 -14.847 -2.909 1.00 0.54 C ATOM 1436 CG ASP A 93 -1.372 -15.100 -2.772 1.00 0.93 C ATOM 1437 OD1 ASP A 93 -0.984 -16.209 -2.334 1.00 1.48 O ATOM 1438 OD2 ASP A 93 -0.579 -14.221 -3.157 1.00 1.75 O ATOM 0 H ASP A 93 -2.590 -12.829 -1.475 1.00 0.45 H new ATOM 0 HA ASP A 93 -4.697 -14.647 -1.852 1.00 0.52 H new ATOM 0 HB2 ASP A 93 -3.310 -15.692 -3.434 1.00 0.54 H new ATOM 0 HB3 ASP A 93 -3.009 -13.969 -3.539 1.00 0.54 H new ATOM 1443 N SER A 94 -2.227 -15.635 0.058 1.00 0.54 N ATOM 1444 CA SER A 94 -1.885 -16.535 1.156 1.00 0.60 C ATOM 1445 C SER A 94 -3.011 -16.601 2.180 1.00 0.63 C ATOM 1446 O SER A 94 -3.465 -17.678 2.542 1.00 0.70 O ATOM 1447 CB SER A 94 -0.608 -16.074 1.849 1.00 0.65 C ATOM 1448 OG SER A 94 0.509 -16.164 0.981 1.00 1.27 O ATOM 0 H SER A 94 -1.521 -14.925 -0.136 1.00 0.54 H new ATOM 0 HA SER A 94 -1.731 -17.527 0.731 1.00 0.60 H new ATOM 0 HB2 SER A 94 -0.726 -15.045 2.188 1.00 0.65 H new ATOM 0 HB3 SER A 94 -0.432 -16.683 2.736 1.00 0.65 H new ATOM 0 HG SER A 94 0.610 -15.322 0.490 1.00 1.27 H new ATOM 1454 N PHE A 95 -3.457 -15.434 2.621 1.00 0.60 N ATOM 1455 CA PHE A 95 -4.522 -15.316 3.609 1.00 0.66 C ATOM 1456 C PHE A 95 -5.792 -15.993 3.108 1.00 0.72 C ATOM 1457 O PHE A 95 -6.494 -16.660 3.863 1.00 0.84 O ATOM 1458 CB PHE A 95 -4.776 -13.832 3.889 1.00 0.64 C ATOM 1459 CG PHE A 95 -5.806 -13.558 4.946 1.00 0.78 C ATOM 1460 CD1 PHE A 95 -5.624 -14.007 6.243 1.00 1.80 C ATOM 1461 CD2 PHE A 95 -6.950 -12.841 4.641 1.00 1.30 C ATOM 1462 CE1 PHE A 95 -6.567 -13.748 7.217 1.00 2.35 C ATOM 1463 CE2 PHE A 95 -7.896 -12.575 5.611 1.00 1.76 C ATOM 1464 CZ PHE A 95 -7.705 -13.030 6.901 1.00 2.08 C ATOM 0 H PHE A 95 -3.089 -14.537 2.303 1.00 0.60 H new ATOM 0 HA PHE A 95 -4.221 -15.813 4.531 1.00 0.66 H new ATOM 0 HB2 PHE A 95 -3.837 -13.367 4.188 1.00 0.64 H new ATOM 0 HB3 PHE A 95 -5.089 -13.350 2.963 1.00 0.64 H new ATOM 0 HD1 PHE A 95 -4.735 -14.566 6.495 1.00 1.80 H new ATOM 0 HD2 PHE A 95 -7.104 -12.486 3.633 1.00 1.30 H new ATOM 0 HE1 PHE A 95 -6.416 -14.106 8.225 1.00 2.35 H new ATOM 0 HE2 PHE A 95 -8.783 -12.012 5.361 1.00 1.76 H new ATOM 0 HZ PHE A 95 -8.444 -12.825 7.662 1.00 2.08 H new ATOM 1474 N LEU A 96 -6.057 -15.828 1.822 1.00 0.69 N ATOM 1475 CA LEU A 96 -7.225 -16.417 1.180 1.00 0.81 C ATOM 1476 C LEU A 96 -7.100 -17.935 1.099 1.00 0.90 C ATOM 1477 O LEU A 96 -8.046 -18.666 1.387 1.00 1.09 O ATOM 1478 CB LEU A 96 -7.398 -15.826 -0.223 1.00 0.83 C ATOM 1479 CG LEU A 96 -8.279 -14.574 -0.325 1.00 0.87 C ATOM 1480 CD1 LEU A 96 -9.747 -14.941 -0.201 1.00 1.21 C ATOM 1481 CD2 LEU A 96 -7.906 -13.552 0.738 1.00 1.08 C ATOM 0 H LEU A 96 -5.469 -15.282 1.192 1.00 0.69 H new ATOM 0 HA LEU A 96 -8.103 -16.183 1.782 1.00 0.81 H new ATOM 0 HB2 LEU A 96 -6.411 -15.584 -0.617 1.00 0.83 H new ATOM 0 HB3 LEU A 96 -7.820 -16.596 -0.870 1.00 0.83 H new ATOM 0 HG LEU A 96 -8.108 -14.128 -1.305 1.00 0.87 H new ATOM 0 HD11 LEU A 96 -10.355 -14.039 -0.276 1.00 1.21 H new ATOM 0 HD12 LEU A 96 -10.019 -15.629 -1.001 1.00 1.21 H new ATOM 0 HD13 LEU A 96 -9.923 -15.418 0.763 1.00 1.21 H new ATOM 0 HD21 LEU A 96 -8.547 -12.676 0.641 1.00 1.08 H new ATOM 0 HD22 LEU A 96 -8.038 -13.991 1.727 1.00 1.08 H new ATOM 0 HD23 LEU A 96 -6.865 -13.256 0.609 1.00 1.08 H new ATOM 1493 N LYS A 97 -5.920 -18.396 0.717 1.00 0.83 N ATOM 1494 CA LYS A 97 -5.652 -19.822 0.582 1.00 0.93 C ATOM 1495 C LYS A 97 -5.454 -20.481 1.944 1.00 0.97 C ATOM 1496 O LYS A 97 -5.518 -21.703 2.069 1.00 1.12 O ATOM 1497 CB LYS A 97 -4.421 -20.029 -0.303 1.00 0.93 C ATOM 1498 CG LYS A 97 -4.687 -19.746 -1.775 1.00 0.99 C ATOM 1499 CD LYS A 97 -3.560 -18.950 -2.418 1.00 1.25 C ATOM 1500 CE LYS A 97 -2.213 -19.616 -2.227 1.00 2.06 C ATOM 1501 NZ LYS A 97 -1.118 -18.848 -2.879 1.00 2.65 N ATOM 0 H LYS A 97 -5.125 -17.798 0.493 1.00 0.83 H new ATOM 0 HA LYS A 97 -6.515 -20.295 0.114 1.00 0.93 H new ATOM 0 HB2 LYS A 97 -3.617 -19.380 0.046 1.00 0.93 H new ATOM 0 HB3 LYS A 97 -4.072 -21.056 -0.194 1.00 0.93 H new ATOM 0 HG2 LYS A 97 -4.814 -20.688 -2.308 1.00 0.99 H new ATOM 0 HG3 LYS A 97 -5.622 -19.195 -1.875 1.00 0.99 H new ATOM 0 HD2 LYS A 97 -3.760 -18.835 -3.483 1.00 1.25 H new ATOM 0 HD3 LYS A 97 -3.533 -17.948 -1.989 1.00 1.25 H new ATOM 0 HE2 LYS A 97 -2.004 -19.714 -1.162 1.00 2.06 H new ATOM 0 HE3 LYS A 97 -2.245 -20.625 -2.639 1.00 2.06 H new ATOM 0 HZ1 LYS A 97 -0.219 -19.045 -2.394 1.00 2.65 H new ATOM 0 HZ2 LYS A 97 -1.042 -19.131 -3.877 1.00 2.65 H new ATOM 0 HZ3 LYS A 97 -1.326 -17.831 -2.822 1.00 2.65 H new ATOM 1515 N ALA A 98 -5.218 -19.666 2.961 1.00 0.99 N ATOM 1516 CA ALA A 98 -5.016 -20.165 4.311 1.00 1.06 C ATOM 1517 C ALA A 98 -6.324 -20.184 5.089 1.00 1.09 C ATOM 1518 O ALA A 98 -6.849 -21.252 5.413 1.00 1.23 O ATOM 1519 CB ALA A 98 -3.978 -19.325 5.039 1.00 1.00 C ATOM 0 H ALA A 98 -5.162 -18.651 2.875 1.00 0.99 H new ATOM 0 HA ALA A 98 -4.650 -21.189 4.240 1.00 1.06 H new ATOM 0 HB1 ALA A 98 -3.839 -19.713 6.048 1.00 1.00 H new ATOM 0 HB2 ALA A 98 -3.032 -19.369 4.500 1.00 1.00 H new ATOM 0 HB3 ALA A 98 -4.318 -18.291 5.091 1.00 1.00 H new ATOM 1525 N VAL A 99 -6.853 -18.997 5.369 1.00 1.00 N ATOM 1526 CA VAL A 99 -8.092 -18.850 6.122 1.00 1.06 C ATOM 1527 C VAL A 99 -8.453 -17.366 6.258 1.00 1.00 C ATOM 1528 O VAL A 99 -8.035 -16.675 7.186 1.00 1.01 O ATOM 1529 CB VAL A 99 -8.019 -19.530 7.515 1.00 1.16 C ATOM 1530 CG1 VAL A 99 -6.838 -19.024 8.331 1.00 1.13 C ATOM 1531 CG2 VAL A 99 -9.326 -19.336 8.270 1.00 1.24 C ATOM 0 H VAL A 99 -6.435 -18.112 5.081 1.00 1.00 H new ATOM 0 HA VAL A 99 -8.878 -19.359 5.564 1.00 1.06 H new ATOM 0 HB VAL A 99 -7.865 -20.597 7.355 1.00 1.16 H new ATOM 0 HG11 VAL A 99 -6.823 -19.525 9.299 1.00 1.13 H new ATOM 0 HG12 VAL A 99 -5.911 -19.236 7.799 1.00 1.13 H new ATOM 0 HG13 VAL A 99 -6.933 -17.949 8.481 1.00 1.13 H new ATOM 0 HG21 VAL A 99 -9.258 -19.819 9.245 1.00 1.24 H new ATOM 0 HG22 VAL A 99 -9.514 -18.271 8.405 1.00 1.24 H new ATOM 0 HG23 VAL A 99 -10.144 -19.779 7.702 1.00 1.24 H new ATOM 1541 N PRO A 100 -9.228 -16.852 5.305 1.00 1.00 N ATOM 1542 CA PRO A 100 -9.596 -15.449 5.260 1.00 1.02 C ATOM 1543 C PRO A 100 -10.922 -15.178 5.953 1.00 1.28 C ATOM 1544 O PRO A 100 -11.412 -14.049 5.968 1.00 1.60 O ATOM 1545 CB PRO A 100 -9.697 -15.210 3.760 1.00 1.04 C ATOM 1546 CG PRO A 100 -10.238 -16.500 3.218 1.00 1.03 C ATOM 1547 CD PRO A 100 -9.799 -17.592 4.170 1.00 1.06 C ATOM 0 HA PRO A 100 -8.890 -14.797 5.774 1.00 1.02 H new ATOM 0 HB2 PRO A 100 -10.359 -14.374 3.533 1.00 1.04 H new ATOM 0 HB3 PRO A 100 -8.725 -14.973 3.328 1.00 1.04 H new ATOM 0 HG2 PRO A 100 -11.325 -16.464 3.146 1.00 1.03 H new ATOM 0 HG3 PRO A 100 -9.858 -16.687 2.214 1.00 1.03 H new ATOM 0 HD2 PRO A 100 -10.638 -18.216 4.479 1.00 1.06 H new ATOM 0 HD3 PRO A 100 -9.063 -18.252 3.711 1.00 1.06 H new ATOM 1555 N SER A 101 -11.482 -16.218 6.545 1.00 1.57 N ATOM 1556 CA SER A 101 -12.764 -16.125 7.215 1.00 1.88 C ATOM 1557 C SER A 101 -12.585 -15.745 8.683 1.00 1.62 C ATOM 1558 O SER A 101 -13.156 -16.378 9.575 1.00 1.94 O ATOM 1559 CB SER A 101 -13.505 -17.457 7.088 1.00 2.76 C ATOM 1560 OG SER A 101 -13.625 -17.837 5.727 1.00 3.39 O ATOM 0 H SER A 101 -11.062 -17.147 6.574 1.00 1.57 H new ATOM 0 HA SER A 101 -13.354 -15.342 6.740 1.00 1.88 H new ATOM 0 HB2 SER A 101 -12.971 -18.230 7.641 1.00 2.76 H new ATOM 0 HB3 SER A 101 -14.495 -17.372 7.535 1.00 2.76 H new ATOM 0 HG SER A 101 -14.100 -18.692 5.667 1.00 3.39 H new ATOM 1566 N GLN A 102 -11.775 -14.722 8.935 1.00 1.61 N ATOM 1567 CA GLN A 102 -11.611 -14.211 10.288 1.00 2.12 C ATOM 1568 C GLN A 102 -12.806 -13.341 10.659 1.00 2.74 C ATOM 1569 O GLN A 102 -12.743 -12.111 10.611 1.00 3.39 O ATOM 1570 CB GLN A 102 -10.305 -13.424 10.439 1.00 2.47 C ATOM 1571 CG GLN A 102 -9.054 -14.275 10.280 1.00 3.02 C ATOM 1572 CD GLN A 102 -7.836 -13.644 10.932 1.00 3.87 C ATOM 1573 OE1 GLN A 102 -7.560 -13.879 12.107 1.00 4.45 O ATOM 1574 NE2 GLN A 102 -7.105 -12.834 10.184 1.00 4.44 N ATOM 0 H GLN A 102 -11.227 -14.235 8.226 1.00 1.61 H new ATOM 0 HA GLN A 102 -11.559 -15.061 10.969 1.00 2.12 H new ATOM 0 HB2 GLN A 102 -10.286 -12.624 9.699 1.00 2.47 H new ATOM 0 HB3 GLN A 102 -10.289 -12.950 11.420 1.00 2.47 H new ATOM 0 HG2 GLN A 102 -9.229 -15.258 10.718 1.00 3.02 H new ATOM 0 HG3 GLN A 102 -8.856 -14.429 9.219 1.00 3.02 H new ATOM 0 HE21 GLN A 102 -7.365 -12.663 9.213 1.00 4.44 H new ATOM 0 HE22 GLN A 102 -6.281 -12.380 10.579 1.00 4.44 H new ATOM 1583 N LYS A 103 -13.899 -14.003 11.001 1.00 3.15 N ATOM 1584 CA LYS A 103 -15.134 -13.332 11.371 1.00 4.06 C ATOM 1585 C LYS A 103 -15.038 -12.744 12.775 1.00 4.57 C ATOM 1586 O LYS A 103 -15.451 -13.367 13.755 1.00 5.24 O ATOM 1587 CB LYS A 103 -16.308 -14.315 11.286 1.00 4.73 C ATOM 1588 CG LYS A 103 -16.022 -15.665 11.934 1.00 5.30 C ATOM 1589 CD LYS A 103 -17.272 -16.528 12.033 1.00 6.25 C ATOM 1590 CE LYS A 103 -18.273 -15.963 13.030 1.00 6.82 C ATOM 1591 NZ LYS A 103 -17.708 -15.884 14.404 1.00 7.43 N ATOM 0 H LYS A 103 -13.955 -15.021 11.030 1.00 3.15 H new ATOM 0 HA LYS A 103 -15.302 -12.512 10.673 1.00 4.06 H new ATOM 0 HB2 LYS A 103 -17.180 -13.869 11.765 1.00 4.73 H new ATOM 0 HB3 LYS A 103 -16.565 -14.471 10.238 1.00 4.73 H new ATOM 0 HG2 LYS A 103 -15.263 -16.191 11.355 1.00 5.30 H new ATOM 0 HG3 LYS A 103 -15.610 -15.508 12.931 1.00 5.30 H new ATOM 0 HD2 LYS A 103 -17.740 -16.603 11.051 1.00 6.25 H new ATOM 0 HD3 LYS A 103 -16.993 -17.539 12.331 1.00 6.25 H new ATOM 0 HE2 LYS A 103 -18.583 -14.969 12.708 1.00 6.82 H new ATOM 0 HE3 LYS A 103 -19.166 -16.588 13.041 1.00 6.82 H new ATOM 0 HZ1 LYS A 103 -18.482 -15.792 15.093 1.00 7.43 H new ATOM 0 HZ2 LYS A 103 -17.165 -16.748 14.606 1.00 7.43 H new ATOM 0 HZ3 LYS A 103 -17.082 -15.057 14.475 1.00 7.43 H new ATOM 1605 N ARG A 104 -14.478 -11.548 12.870 1.00 4.68 N ATOM 1606 CA ARG A 104 -14.354 -10.868 14.148 1.00 5.53 C ATOM 1607 C ARG A 104 -15.729 -10.449 14.649 1.00 5.66 C ATOM 1608 O ARG A 104 -16.257 -11.058 15.580 1.00 5.96 O ATOM 1609 CB ARG A 104 -13.426 -9.653 14.026 1.00 6.11 C ATOM 1610 CG ARG A 104 -13.253 -8.854 15.314 1.00 6.81 C ATOM 1611 CD ARG A 104 -12.670 -9.693 16.444 1.00 7.63 C ATOM 1612 NE ARG A 104 -13.678 -10.536 17.089 1.00 8.13 N ATOM 1613 CZ ARG A 104 -13.407 -11.670 17.733 1.00 8.95 C ATOM 1614 NH1 ARG A 104 -12.161 -12.118 17.807 1.00 9.34 N ATOM 1615 NH2 ARG A 104 -14.389 -12.359 18.298 1.00 9.59 N ATOM 0 H ARG A 104 -14.102 -11.029 12.076 1.00 4.68 H new ATOM 0 HA ARG A 104 -13.914 -11.555 14.871 1.00 5.53 H new ATOM 0 HB2 ARG A 104 -12.446 -9.993 13.690 1.00 6.11 H new ATOM 0 HB3 ARG A 104 -13.816 -8.991 13.253 1.00 6.11 H new ATOM 0 HG2 ARG A 104 -12.601 -8.001 15.125 1.00 6.81 H new ATOM 0 HG3 ARG A 104 -14.219 -8.454 15.623 1.00 6.81 H new ATOM 0 HD2 ARG A 104 -11.871 -10.322 16.051 1.00 7.63 H new ATOM 0 HD3 ARG A 104 -12.221 -9.035 17.188 1.00 7.63 H new ATOM 0 HE ARG A 104 -14.652 -10.235 17.042 1.00 8.13 H new ATOM 0 HH11 ARG A 104 -11.404 -11.593 17.369 1.00 9.34 H new ATOM 0 HH12 ARG A 104 -11.960 -12.987 18.302 1.00 9.34 H new ATOM 0 HH21 ARG A 104 -15.349 -12.020 18.239 1.00 9.59 H new ATOM 0 HH22 ARG A 104 -14.184 -13.228 18.792 1.00 9.59 H new ATOM 1629 N THR A 105 -16.310 -9.438 14.000 1.00 5.79 N ATOM 1630 CA THR A 105 -17.616 -8.898 14.376 1.00 6.20 C ATOM 1631 C THR A 105 -17.747 -8.742 15.891 1.00 6.46 C ATOM 1632 O THR A 105 -17.095 -7.837 16.448 1.00 6.80 O ATOM 1633 CB THR A 105 -18.775 -9.763 13.829 1.00 6.59 C ATOM 1634 OG1 THR A 105 -18.509 -11.155 14.043 1.00 6.66 O ATOM 1635 CG2 THR A 105 -18.985 -9.506 12.345 1.00 7.00 C ATOM 1636 OXT THR A 105 -18.493 -9.521 16.518 1.00 6.62 O ATOM 0 H THR A 105 -15.887 -8.971 13.198 1.00 5.79 H new ATOM 0 HA THR A 105 -17.685 -7.910 13.921 1.00 6.20 H new ATOM 0 HB THR A 105 -19.682 -9.487 14.367 1.00 6.59 H new ATOM 0 HG1 THR A 105 -18.224 -11.295 14.970 1.00 6.66 H new ATOM 0 HG21 THR A 105 -19.805 -10.125 11.981 1.00 7.00 H new ATOM 0 HG22 THR A 105 -19.227 -8.455 12.188 1.00 7.00 H new ATOM 0 HG23 THR A 105 -18.074 -9.754 11.800 1.00 7.00 H new TER 1644 THR A 105 ATOM 1645 N MET B 1 7.518 -23.835 10.799 1.00 7.64 N ATOM 1646 CA MET B 1 8.646 -23.966 9.846 1.00 7.05 C ATOM 1647 C MET B 1 9.300 -22.615 9.590 1.00 6.85 C ATOM 1648 O MET B 1 10.455 -22.399 9.962 1.00 7.13 O ATOM 1649 CB MET B 1 8.176 -24.574 8.522 1.00 7.11 C ATOM 1650 CG MET B 1 7.743 -26.025 8.637 1.00 7.39 C ATOM 1651 SD MET B 1 9.046 -27.088 9.290 1.00 7.66 S ATOM 1652 CE MET B 1 10.311 -26.897 8.036 1.00 7.91 C ATOM 0 H1 MET B 1 7.109 -24.773 10.984 1.00 7.64 H new ATOM 0 H2 MET B 1 7.863 -23.425 11.691 1.00 7.64 H new ATOM 0 H3 MET B 1 6.790 -23.215 10.392 1.00 7.64 H new ATOM 0 HA MET B 1 9.382 -24.633 10.296 1.00 7.05 H new ATOM 0 HB2 MET B 1 7.344 -23.985 8.137 1.00 7.11 H new ATOM 0 HB3 MET B 1 8.982 -24.501 7.792 1.00 7.11 H new ATOM 0 HG2 MET B 1 6.868 -26.089 9.284 1.00 7.39 H new ATOM 0 HG3 MET B 1 7.440 -26.389 7.655 1.00 7.39 H new ATOM 0 HE1 MET B 1 11.049 -27.692 8.140 1.00 7.91 H new ATOM 0 HE2 MET B 1 9.855 -26.952 7.048 1.00 7.91 H new ATOM 0 HE3 MET B 1 10.800 -25.930 8.156 1.00 7.91 H new ATOM 1664 N ALA B 2 8.567 -21.710 8.954 1.00 6.68 N ATOM 1665 CA ALA B 2 9.080 -20.376 8.675 1.00 6.74 C ATOM 1666 C ALA B 2 9.175 -19.563 9.958 1.00 6.15 C ATOM 1667 O ALA B 2 8.215 -19.493 10.730 1.00 6.28 O ATOM 1668 CB ALA B 2 8.197 -19.666 7.660 1.00 7.32 C ATOM 0 H ALA B 2 7.617 -21.876 8.622 1.00 6.68 H new ATOM 0 HA ALA B 2 10.080 -20.474 8.253 1.00 6.74 H new ATOM 0 HB1 ALA B 2 8.596 -18.671 7.464 1.00 7.32 H new ATOM 0 HB2 ALA B 2 8.177 -20.238 6.732 1.00 7.32 H new ATOM 0 HB3 ALA B 2 7.185 -19.580 8.055 1.00 7.32 H new ATOM 1674 N LYS B 3 10.334 -18.961 10.186 1.00 5.79 N ATOM 1675 CA LYS B 3 10.559 -18.164 11.382 1.00 5.53 C ATOM 1676 C LYS B 3 9.880 -16.805 11.254 1.00 5.00 C ATOM 1677 O LYS B 3 10.491 -15.820 10.831 1.00 5.14 O ATOM 1678 CB LYS B 3 12.061 -17.987 11.635 1.00 6.01 C ATOM 1679 CG LYS B 3 12.390 -17.212 12.906 1.00 6.28 C ATOM 1680 CD LYS B 3 11.861 -17.912 14.148 1.00 6.97 C ATOM 1681 CE LYS B 3 12.188 -17.134 15.414 1.00 7.46 C ATOM 1682 NZ LYS B 3 13.651 -16.931 15.583 1.00 7.93 N ATOM 0 H LYS B 3 11.135 -19.010 9.556 1.00 5.79 H new ATOM 0 HA LYS B 3 10.124 -18.690 12.232 1.00 5.53 H new ATOM 0 HB2 LYS B 3 12.528 -18.970 11.691 1.00 6.01 H new ATOM 0 HB3 LYS B 3 12.504 -17.472 10.783 1.00 6.01 H new ATOM 0 HG2 LYS B 3 13.470 -17.092 12.989 1.00 6.28 H new ATOM 0 HG3 LYS B 3 11.962 -16.212 12.843 1.00 6.28 H new ATOM 0 HD2 LYS B 3 10.781 -18.034 14.065 1.00 6.97 H new ATOM 0 HD3 LYS B 3 12.291 -18.911 14.214 1.00 6.97 H new ATOM 0 HE2 LYS B 3 11.689 -16.165 15.383 1.00 7.46 H new ATOM 0 HE3 LYS B 3 11.794 -17.668 16.279 1.00 7.46 H new ATOM 0 HZ1 LYS B 3 13.848 -16.615 16.554 1.00 7.93 H new ATOM 0 HZ2 LYS B 3 14.149 -17.826 15.403 1.00 7.93 H new ATOM 0 HZ3 LYS B 3 13.981 -16.210 14.910 1.00 7.93 H new ATOM 1696 N ILE B 4 8.607 -16.764 11.604 1.00 4.75 N ATOM 1697 CA ILE B 4 7.848 -15.529 11.576 1.00 4.41 C ATOM 1698 C ILE B 4 7.925 -14.826 12.925 1.00 3.66 C ATOM 1699 O ILE B 4 8.264 -15.440 13.940 1.00 3.91 O ATOM 1700 CB ILE B 4 6.370 -15.763 11.167 1.00 5.15 C ATOM 1701 CG1 ILE B 4 5.719 -16.892 11.984 1.00 5.78 C ATOM 1702 CG2 ILE B 4 6.279 -16.073 9.680 1.00 5.59 C ATOM 1703 CD1 ILE B 4 5.262 -16.481 13.371 1.00 6.54 C ATOM 0 H ILE B 4 8.075 -17.578 11.913 1.00 4.75 H new ATOM 0 HA ILE B 4 8.296 -14.888 10.817 1.00 4.41 H new ATOM 0 HB ILE B 4 5.822 -14.845 11.380 1.00 5.15 H new ATOM 0 HG12 ILE B 4 4.861 -17.275 11.431 1.00 5.78 H new ATOM 0 HG13 ILE B 4 6.430 -17.712 12.078 1.00 5.78 H new ATOM 0 HG21 ILE B 4 5.237 -16.235 9.405 1.00 5.59 H new ATOM 0 HG22 ILE B 4 6.679 -15.235 9.109 1.00 5.59 H new ATOM 0 HG23 ILE B 4 6.856 -16.971 9.460 1.00 5.59 H new ATOM 0 HD11 ILE B 4 4.815 -17.338 13.876 1.00 6.54 H new ATOM 0 HD12 ILE B 4 6.118 -16.127 13.946 1.00 6.54 H new ATOM 0 HD13 ILE B 4 4.524 -15.683 13.289 1.00 6.54 H new ATOM 1715 N SER B 5 7.635 -13.539 12.928 1.00 3.24 N ATOM 1716 CA SER B 5 7.688 -12.739 14.140 1.00 2.93 C ATOM 1717 C SER B 5 6.759 -11.540 14.000 1.00 2.01 C ATOM 1718 O SER B 5 5.884 -11.537 13.130 1.00 2.25 O ATOM 1719 CB SER B 5 9.125 -12.274 14.397 1.00 3.70 C ATOM 1720 OG SER B 5 10.017 -13.379 14.449 1.00 4.46 O ATOM 0 H SER B 5 7.357 -13.019 12.096 1.00 3.24 H new ATOM 0 HA SER B 5 7.362 -13.343 14.987 1.00 2.93 H new ATOM 0 HB2 SER B 5 9.436 -11.588 13.609 1.00 3.70 H new ATOM 0 HB3 SER B 5 9.170 -11.722 15.336 1.00 3.70 H new ATOM 0 HG SER B 5 10.928 -13.057 14.612 1.00 4.46 H new ATOM 1726 N SER B 6 6.933 -10.541 14.856 1.00 1.51 N ATOM 1727 CA SER B 6 6.209 -9.287 14.714 1.00 1.03 C ATOM 1728 C SER B 6 6.548 -8.676 13.357 1.00 0.82 C ATOM 1729 O SER B 6 7.710 -8.688 12.939 1.00 0.86 O ATOM 1730 CB SER B 6 6.596 -8.329 15.848 1.00 1.67 C ATOM 1731 OG SER B 6 5.757 -7.183 15.873 1.00 2.25 O ATOM 0 H SER B 6 7.568 -10.576 15.654 1.00 1.51 H new ATOM 0 HA SER B 6 5.135 -9.467 14.772 1.00 1.03 H new ATOM 0 HB2 SER B 6 6.530 -8.850 16.803 1.00 1.67 H new ATOM 0 HB3 SER B 6 7.634 -8.019 15.725 1.00 1.67 H new ATOM 0 HG SER B 6 6.029 -6.594 16.608 1.00 2.25 H new ATOM 1737 N PRO B 7 5.548 -8.148 12.638 1.00 0.70 N ATOM 1738 CA PRO B 7 5.750 -7.610 11.296 1.00 0.54 C ATOM 1739 C PRO B 7 6.486 -6.288 11.342 1.00 0.45 C ATOM 1740 O PRO B 7 6.605 -5.660 12.395 1.00 0.57 O ATOM 1741 CB PRO B 7 4.326 -7.393 10.800 1.00 0.62 C ATOM 1742 CG PRO B 7 3.603 -7.039 12.040 1.00 0.75 C ATOM 1743 CD PRO B 7 4.149 -7.984 13.076 1.00 0.82 C ATOM 0 HA PRO B 7 6.346 -8.267 10.662 1.00 0.54 H new ATOM 0 HB2 PRO B 7 4.272 -6.596 10.058 1.00 0.62 H new ATOM 0 HB3 PRO B 7 3.918 -8.290 10.335 1.00 0.62 H new ATOM 0 HG2 PRO B 7 3.778 -6.000 12.319 1.00 0.75 H new ATOM 0 HG3 PRO B 7 2.526 -7.160 11.920 1.00 0.75 H new ATOM 0 HD2 PRO B 7 4.083 -7.569 14.082 1.00 0.82 H new ATOM 0 HD3 PRO B 7 3.611 -8.932 13.087 1.00 0.82 H new ATOM 1751 N THR B 8 6.977 -5.868 10.205 1.00 0.34 N ATOM 1752 CA THR B 8 7.637 -4.593 10.106 1.00 0.27 C ATOM 1753 C THR B 8 6.633 -3.496 9.835 1.00 0.28 C ATOM 1754 O THR B 8 5.439 -3.761 9.722 1.00 0.34 O ATOM 1755 CB THR B 8 8.650 -4.599 8.979 1.00 0.29 C ATOM 1756 OG1 THR B 8 7.955 -4.762 7.738 1.00 0.37 O ATOM 1757 CG2 THR B 8 9.658 -5.719 9.174 1.00 0.33 C ATOM 0 H THR B 8 6.932 -6.393 9.332 1.00 0.34 H new ATOM 0 HA THR B 8 8.142 -4.411 11.055 1.00 0.27 H new ATOM 0 HB THR B 8 9.196 -3.656 8.973 1.00 0.29 H new ATOM 0 HG1 THR B 8 8.382 -5.472 7.215 1.00 0.37 H new ATOM 0 HG21 THR B 8 10.377 -5.708 8.355 1.00 0.33 H new ATOM 0 HG22 THR B 8 10.182 -5.577 10.119 1.00 0.33 H new ATOM 0 HG23 THR B 8 9.139 -6.677 9.188 1.00 0.33 H new ATOM 1765 N GLU B 9 7.124 -2.287 9.685 1.00 0.28 N ATOM 1766 CA GLU B 9 6.279 -1.132 9.464 1.00 0.33 C ATOM 1767 C GLU B 9 5.476 -1.267 8.164 1.00 0.36 C ATOM 1768 O GLU B 9 4.284 -0.956 8.117 1.00 0.52 O ATOM 1769 CB GLU B 9 7.163 0.104 9.439 1.00 0.40 C ATOM 1770 CG GLU B 9 6.409 1.408 9.397 1.00 0.56 C ATOM 1771 CD GLU B 9 7.233 2.550 9.948 1.00 1.73 C ATOM 1772 OE1 GLU B 9 8.307 2.847 9.381 1.00 2.47 O ATOM 1773 OE2 GLU B 9 6.820 3.147 10.967 1.00 2.48 O ATOM 0 H GLU B 9 8.121 -2.075 9.713 1.00 0.28 H new ATOM 0 HA GLU B 9 5.551 -1.050 10.271 1.00 0.33 H new ATOM 0 HB2 GLU B 9 7.802 0.096 10.322 1.00 0.40 H new ATOM 0 HB3 GLU B 9 7.819 0.049 8.570 1.00 0.40 H new ATOM 0 HG2 GLU B 9 6.122 1.629 8.369 1.00 0.56 H new ATOM 0 HG3 GLU B 9 5.488 1.314 9.972 1.00 0.56 H new ATOM 1780 N THR B 10 6.113 -1.779 7.125 1.00 0.26 N ATOM 1781 CA THR B 10 5.452 -1.934 5.838 1.00 0.27 C ATOM 1782 C THR B 10 4.617 -3.201 5.822 1.00 0.27 C ATOM 1783 O THR B 10 3.554 -3.240 5.217 1.00 0.31 O ATOM 1784 CB THR B 10 6.460 -1.928 4.663 1.00 0.27 C ATOM 1785 OG1 THR B 10 5.889 -2.542 3.500 1.00 0.40 O ATOM 1786 CG2 THR B 10 7.752 -2.631 5.049 1.00 0.26 C ATOM 0 H THR B 10 7.083 -2.094 7.145 1.00 0.26 H new ATOM 0 HA THR B 10 4.794 -1.076 5.702 1.00 0.27 H new ATOM 0 HB THR B 10 6.692 -0.889 4.429 1.00 0.27 H new ATOM 0 HG1 THR B 10 6.541 -2.527 2.769 1.00 0.40 H new ATOM 0 HG21 THR B 10 8.442 -2.612 4.206 1.00 0.26 H new ATOM 0 HG22 THR B 10 8.204 -2.120 5.899 1.00 0.26 H new ATOM 0 HG23 THR B 10 7.537 -3.665 5.319 1.00 0.26 H new ATOM 1794 N GLU B 11 5.073 -4.221 6.522 1.00 0.24 N ATOM 1795 CA GLU B 11 4.338 -5.470 6.587 1.00 0.27 C ATOM 1796 C GLU B 11 3.035 -5.311 7.360 1.00 0.30 C ATOM 1797 O GLU B 11 1.991 -5.801 6.940 1.00 0.32 O ATOM 1798 CB GLU B 11 5.202 -6.536 7.196 1.00 0.29 C ATOM 1799 CG GLU B 11 6.156 -7.128 6.189 1.00 0.41 C ATOM 1800 CD GLU B 11 5.479 -8.102 5.247 1.00 1.11 C ATOM 1801 OE1 GLU B 11 5.163 -9.231 5.677 1.00 1.71 O ATOM 1802 OE2 GLU B 11 5.258 -7.739 4.076 1.00 1.85 O ATOM 0 H GLU B 11 5.945 -4.211 7.052 1.00 0.24 H new ATOM 0 HA GLU B 11 4.073 -5.768 5.573 1.00 0.27 H new ATOM 0 HB2 GLU B 11 5.767 -6.115 8.028 1.00 0.29 H new ATOM 0 HB3 GLU B 11 4.571 -7.325 7.606 1.00 0.29 H new ATOM 0 HG2 GLU B 11 6.611 -6.325 5.610 1.00 0.41 H new ATOM 0 HG3 GLU B 11 6.963 -7.638 6.715 1.00 0.41 H new ATOM 1809 N ARG B 12 3.095 -4.594 8.475 1.00 0.35 N ATOM 1810 CA ARG B 12 1.895 -4.318 9.266 1.00 0.42 C ATOM 1811 C ARG B 12 0.948 -3.442 8.460 1.00 0.43 C ATOM 1812 O ARG B 12 -0.268 -3.576 8.552 1.00 0.47 O ATOM 1813 CB ARG B 12 2.240 -3.662 10.619 1.00 0.48 C ATOM 1814 CG ARG B 12 3.041 -2.369 10.522 1.00 0.49 C ATOM 1815 CD ARG B 12 2.162 -1.142 10.322 1.00 0.56 C ATOM 1816 NE ARG B 12 1.807 -0.511 11.592 1.00 1.08 N ATOM 1817 CZ ARG B 12 1.553 0.790 11.735 1.00 1.34 C ATOM 1818 NH1 ARG B 12 1.536 1.592 10.676 1.00 1.86 N ATOM 1819 NH2 ARG B 12 1.303 1.286 12.938 1.00 1.95 N ATOM 0 H ARG B 12 3.954 -4.194 8.853 1.00 0.35 H new ATOM 0 HA ARG B 12 1.404 -5.265 9.491 1.00 0.42 H new ATOM 0 HB2 ARG B 12 1.312 -3.458 11.154 1.00 0.48 H new ATOM 0 HB3 ARG B 12 2.803 -4.377 11.219 1.00 0.48 H new ATOM 0 HG2 ARG B 12 3.630 -2.243 11.430 1.00 0.49 H new ATOM 0 HG3 ARG B 12 3.745 -2.445 9.693 1.00 0.49 H new ATOM 0 HD2 ARG B 12 2.683 -0.421 9.692 1.00 0.56 H new ATOM 0 HD3 ARG B 12 1.253 -1.429 9.793 1.00 0.56 H new ATOM 0 HE ARG B 12 1.750 -1.103 12.421 1.00 1.08 H new ATOM 0 HH11 ARG B 12 1.718 1.213 9.747 1.00 1.86 H new ATOM 0 HH12 ARG B 12 1.341 2.586 10.792 1.00 1.86 H new ATOM 0 HH21 ARG B 12 1.305 0.673 13.753 1.00 1.95 H new ATOM 0 HH22 ARG B 12 1.109 2.281 13.049 1.00 1.95 H new ATOM 1833 N CYS B 13 1.536 -2.559 7.660 1.00 0.42 N ATOM 1834 CA CYS B 13 0.794 -1.714 6.739 1.00 0.44 C ATOM 1835 C CYS B 13 0.055 -2.580 5.733 1.00 0.30 C ATOM 1836 O CYS B 13 -1.115 -2.359 5.415 1.00 0.29 O ATOM 1837 CB CYS B 13 1.777 -0.789 6.011 1.00 0.57 C ATOM 1838 SG CYS B 13 1.808 -1.015 4.222 1.00 2.16 S ATOM 0 H CYS B 13 2.545 -2.411 7.634 1.00 0.42 H new ATOM 0 HA CYS B 13 0.068 -1.115 7.289 1.00 0.44 H new ATOM 0 HB2 CYS B 13 1.517 0.246 6.232 1.00 0.57 H new ATOM 0 HB3 CYS B 13 2.779 -0.957 6.406 1.00 0.57 H new ATOM 0 HG CYS B 13 0.593 -0.990 3.760 1.00 2.16 H new ATOM 1844 N ILE B 14 0.754 -3.587 5.269 1.00 0.26 N ATOM 1845 CA ILE B 14 0.259 -4.466 4.247 1.00 0.24 C ATOM 1846 C ILE B 14 -0.890 -5.324 4.757 1.00 0.21 C ATOM 1847 O ILE B 14 -1.873 -5.556 4.048 1.00 0.23 O ATOM 1848 CB ILE B 14 1.413 -5.342 3.735 1.00 0.24 C ATOM 1849 CG1 ILE B 14 2.330 -4.509 2.837 1.00 0.25 C ATOM 1850 CG2 ILE B 14 0.894 -6.566 3.012 1.00 0.27 C ATOM 1851 CD1 ILE B 14 3.627 -5.203 2.507 1.00 0.27 C ATOM 0 H ILE B 14 1.692 -3.819 5.596 1.00 0.26 H new ATOM 0 HA ILE B 14 -0.133 -3.866 3.426 1.00 0.24 H new ATOM 0 HB ILE B 14 1.990 -5.699 4.588 1.00 0.24 H new ATOM 0 HG12 ILE B 14 1.805 -4.274 1.911 1.00 0.25 H new ATOM 0 HG13 ILE B 14 2.547 -3.561 3.330 1.00 0.25 H new ATOM 0 HG21 ILE B 14 1.734 -7.165 2.662 1.00 0.27 H new ATOM 0 HG22 ILE B 14 0.284 -7.159 3.693 1.00 0.27 H new ATOM 0 HG23 ILE B 14 0.289 -6.256 2.160 1.00 0.27 H new ATOM 0 HD11 ILE B 14 4.232 -4.560 1.868 1.00 0.27 H new ATOM 0 HD12 ILE B 14 4.171 -5.414 3.428 1.00 0.27 H new ATOM 0 HD13 ILE B 14 3.417 -6.138 1.987 1.00 0.27 H new ATOM 1863 N GLU B 15 -0.791 -5.756 6.001 1.00 0.24 N ATOM 1864 CA GLU B 15 -1.787 -6.634 6.562 1.00 0.28 C ATOM 1865 C GLU B 15 -2.991 -5.828 6.997 1.00 0.30 C ATOM 1866 O GLU B 15 -4.101 -6.348 7.068 1.00 0.34 O ATOM 1867 CB GLU B 15 -1.221 -7.419 7.737 1.00 0.32 C ATOM 1868 CG GLU B 15 0.050 -8.178 7.404 1.00 0.32 C ATOM 1869 CD GLU B 15 0.555 -8.995 8.572 1.00 0.38 C ATOM 1870 OE1 GLU B 15 1.284 -8.445 9.424 1.00 1.25 O ATOM 1871 OE2 GLU B 15 0.215 -10.195 8.649 1.00 1.06 O ATOM 0 H GLU B 15 -0.031 -5.511 6.636 1.00 0.24 H new ATOM 0 HA GLU B 15 -2.092 -7.349 5.797 1.00 0.28 H new ATOM 0 HB2 GLU B 15 -1.019 -6.732 8.559 1.00 0.32 H new ATOM 0 HB3 GLU B 15 -1.974 -8.124 8.089 1.00 0.32 H new ATOM 0 HG2 GLU B 15 -0.135 -8.837 6.556 1.00 0.32 H new ATOM 0 HG3 GLU B 15 0.822 -7.472 7.097 1.00 0.32 H new ATOM 1878 N SER B 16 -2.776 -4.548 7.275 1.00 0.31 N ATOM 1879 CA SER B 16 -3.884 -3.681 7.602 1.00 0.37 C ATOM 1880 C SER B 16 -4.722 -3.396 6.363 1.00 0.28 C ATOM 1881 O SER B 16 -5.927 -3.190 6.454 1.00 0.28 O ATOM 1882 CB SER B 16 -3.409 -2.390 8.279 1.00 0.54 C ATOM 1883 OG SER B 16 -2.248 -1.856 7.671 1.00 0.97 O ATOM 0 H SER B 16 -1.860 -4.100 7.279 1.00 0.31 H new ATOM 0 HA SER B 16 -4.518 -4.197 8.323 1.00 0.37 H new ATOM 0 HB2 SER B 16 -4.208 -1.649 8.243 1.00 0.54 H new ATOM 0 HB3 SER B 16 -3.206 -2.589 9.331 1.00 0.54 H new ATOM 0 HG SER B 16 -2.228 -2.110 6.725 1.00 0.97 H new ATOM 1889 N LEU B 17 -4.086 -3.419 5.199 1.00 0.27 N ATOM 1890 CA LEU B 17 -4.812 -3.307 3.944 1.00 0.28 C ATOM 1891 C LEU B 17 -5.595 -4.571 3.701 1.00 0.27 C ATOM 1892 O LEU B 17 -6.735 -4.528 3.257 1.00 0.32 O ATOM 1893 CB LEU B 17 -3.854 -3.068 2.791 1.00 0.29 C ATOM 1894 CG LEU B 17 -3.023 -1.806 2.938 1.00 0.33 C ATOM 1895 CD1 LEU B 17 -1.980 -1.700 1.838 1.00 0.33 C ATOM 1896 CD2 LEU B 17 -3.943 -0.594 2.937 1.00 0.46 C ATOM 0 H LEU B 17 -3.075 -3.514 5.099 1.00 0.27 H new ATOM 0 HA LEU B 17 -5.494 -2.459 4.009 1.00 0.28 H new ATOM 0 HB2 LEU B 17 -3.185 -3.924 2.703 1.00 0.29 H new ATOM 0 HB3 LEU B 17 -4.423 -3.011 1.863 1.00 0.29 H new ATOM 0 HG LEU B 17 -2.486 -1.846 3.886 1.00 0.33 H new ATOM 0 HD11 LEU B 17 -1.402 -0.786 1.972 1.00 0.33 H new ATOM 0 HD12 LEU B 17 -1.313 -2.561 1.885 1.00 0.33 H new ATOM 0 HD13 LEU B 17 -2.476 -1.677 0.868 1.00 0.33 H new ATOM 0 HD21 LEU B 17 -3.349 0.314 3.042 1.00 0.46 H new ATOM 0 HD22 LEU B 17 -4.497 -0.558 1.999 1.00 0.46 H new ATOM 0 HD23 LEU B 17 -4.643 -0.668 3.769 1.00 0.46 H new ATOM 1908 N ILE B 18 -4.968 -5.700 4.000 1.00 0.27 N ATOM 1909 CA ILE B 18 -5.639 -6.980 3.953 1.00 0.30 C ATOM 1910 C ILE B 18 -6.864 -6.939 4.845 1.00 0.28 C ATOM 1911 O ILE B 18 -7.932 -7.409 4.471 1.00 0.30 O ATOM 1912 CB ILE B 18 -4.703 -8.121 4.407 1.00 0.36 C ATOM 1913 CG1 ILE B 18 -3.593 -8.333 3.378 1.00 0.62 C ATOM 1914 CG2 ILE B 18 -5.486 -9.407 4.633 1.00 0.47 C ATOM 1915 CD1 ILE B 18 -2.599 -9.401 3.770 1.00 1.37 C ATOM 0 H ILE B 18 -3.988 -5.749 4.279 1.00 0.27 H new ATOM 0 HA ILE B 18 -5.934 -7.175 2.922 1.00 0.30 H new ATOM 0 HB ILE B 18 -4.246 -7.838 5.355 1.00 0.36 H new ATOM 0 HG12 ILE B 18 -4.042 -8.600 2.422 1.00 0.62 H new ATOM 0 HG13 ILE B 18 -3.063 -7.392 3.229 1.00 0.62 H new ATOM 0 HG21 ILE B 18 -4.805 -10.196 4.952 1.00 0.47 H new ATOM 0 HG22 ILE B 18 -6.239 -9.244 5.404 1.00 0.47 H new ATOM 0 HG23 ILE B 18 -5.975 -9.703 3.705 1.00 0.47 H new ATOM 0 HD11 ILE B 18 -1.841 -9.496 2.992 1.00 1.37 H new ATOM 0 HD12 ILE B 18 -2.122 -9.126 4.711 1.00 1.37 H new ATOM 0 HD13 ILE B 18 -3.116 -10.353 3.890 1.00 1.37 H new ATOM 1927 N ALA B 19 -6.699 -6.340 6.013 1.00 0.25 N ATOM 1928 CA ALA B 19 -7.778 -6.227 6.969 1.00 0.25 C ATOM 1929 C ALA B 19 -8.921 -5.371 6.427 1.00 0.23 C ATOM 1930 O ALA B 19 -10.027 -5.879 6.258 1.00 0.27 O ATOM 1931 CB ALA B 19 -7.256 -5.679 8.283 1.00 0.28 C ATOM 0 H ALA B 19 -5.820 -5.923 6.319 1.00 0.25 H new ATOM 0 HA ALA B 19 -8.182 -7.224 7.146 1.00 0.25 H new ATOM 0 HB1 ALA B 19 -8.077 -5.598 8.995 1.00 0.28 H new ATOM 0 HB2 ALA B 19 -6.495 -6.351 8.681 1.00 0.28 H new ATOM 0 HB3 ALA B 19 -6.820 -4.694 8.119 1.00 0.28 H new ATOM 1937 N VAL B 20 -8.661 -4.091 6.118 1.00 0.20 N ATOM 1938 CA VAL B 20 -9.728 -3.202 5.649 1.00 0.22 C ATOM 1939 C VAL B 20 -10.329 -3.738 4.368 1.00 0.23 C ATOM 1940 O VAL B 20 -11.546 -3.723 4.189 1.00 0.27 O ATOM 1941 CB VAL B 20 -9.281 -1.727 5.428 1.00 0.27 C ATOM 1942 CG1 VAL B 20 -8.261 -1.328 6.454 1.00 0.87 C ATOM 1943 CG2 VAL B 20 -8.735 -1.474 4.027 1.00 0.87 C ATOM 0 H VAL B 20 -7.740 -3.658 6.183 1.00 0.20 H new ATOM 0 HA VAL B 20 -10.468 -3.186 6.449 1.00 0.22 H new ATOM 0 HB VAL B 20 -10.175 -1.113 5.539 1.00 0.27 H new ATOM 0 HG11 VAL B 20 -7.960 -0.294 6.285 1.00 0.87 H new ATOM 0 HG12 VAL B 20 -8.692 -1.422 7.451 1.00 0.87 H new ATOM 0 HG13 VAL B 20 -7.390 -1.978 6.373 1.00 0.87 H new ATOM 0 HG21 VAL B 20 -8.440 -0.429 3.935 1.00 0.87 H new ATOM 0 HG22 VAL B 20 -7.868 -2.112 3.854 1.00 0.87 H new ATOM 0 HG23 VAL B 20 -9.505 -1.700 3.290 1.00 0.87 H new ATOM 1953 N PHE B 21 -9.482 -4.238 3.487 1.00 0.22 N ATOM 1954 CA PHE B 21 -9.975 -4.752 2.228 1.00 0.25 C ATOM 1955 C PHE B 21 -10.870 -5.962 2.453 1.00 0.29 C ATOM 1956 O PHE B 21 -11.988 -5.999 1.973 1.00 0.35 O ATOM 1957 CB PHE B 21 -8.840 -5.116 1.286 1.00 0.26 C ATOM 1958 CG PHE B 21 -9.332 -5.631 -0.026 1.00 0.91 C ATOM 1959 CD1 PHE B 21 -9.782 -4.752 -0.993 1.00 1.59 C ATOM 1960 CD2 PHE B 21 -9.364 -6.990 -0.285 1.00 1.85 C ATOM 1961 CE1 PHE B 21 -10.256 -5.219 -2.198 1.00 2.17 C ATOM 1962 CE2 PHE B 21 -9.833 -7.462 -1.489 1.00 2.48 C ATOM 1963 CZ PHE B 21 -10.280 -6.577 -2.446 1.00 2.40 C ATOM 0 H PHE B 21 -8.472 -4.298 3.617 1.00 0.22 H new ATOM 0 HA PHE B 21 -10.559 -3.958 1.763 1.00 0.25 H new ATOM 0 HB2 PHE B 21 -8.216 -4.239 1.118 1.00 0.26 H new ATOM 0 HB3 PHE B 21 -8.209 -5.871 1.756 1.00 0.26 H new ATOM 0 HD1 PHE B 21 -9.762 -3.689 -0.801 1.00 1.59 H new ATOM 0 HD2 PHE B 21 -9.018 -7.686 0.465 1.00 1.85 H new ATOM 0 HE1 PHE B 21 -10.608 -4.525 -2.947 1.00 2.17 H new ATOM 0 HE2 PHE B 21 -9.851 -8.524 -1.684 1.00 2.48 H new ATOM 0 HZ PHE B 21 -10.650 -6.946 -3.391 1.00 2.40 H new ATOM 1973 N GLN B 22 -10.397 -6.929 3.219 1.00 0.30 N ATOM 1974 CA GLN B 22 -11.128 -8.173 3.400 1.00 0.37 C ATOM 1975 C GLN B 22 -12.398 -7.974 4.215 1.00 0.36 C ATOM 1976 O GLN B 22 -13.334 -8.765 4.116 1.00 0.44 O ATOM 1977 CB GLN B 22 -10.234 -9.225 4.055 1.00 0.47 C ATOM 1978 CG GLN B 22 -9.385 -10.008 3.069 1.00 1.11 C ATOM 1979 CD GLN B 22 -10.212 -10.715 2.015 1.00 1.98 C ATOM 1980 OE1 GLN B 22 -10.448 -10.182 0.934 1.00 2.68 O ATOM 1981 NE2 GLN B 22 -10.669 -11.917 2.330 1.00 2.65 N ATOM 0 H GLN B 22 -9.513 -6.878 3.725 1.00 0.30 H new ATOM 0 HA GLN B 22 -11.426 -8.523 2.412 1.00 0.37 H new ATOM 0 HB2 GLN B 22 -9.579 -8.734 4.775 1.00 0.47 H new ATOM 0 HB3 GLN B 22 -10.858 -9.921 4.615 1.00 0.47 H new ATOM 0 HG2 GLN B 22 -8.685 -9.330 2.581 1.00 1.11 H new ATOM 0 HG3 GLN B 22 -8.791 -10.743 3.612 1.00 1.11 H new ATOM 0 HE21 GLN B 22 -10.450 -12.324 3.239 1.00 2.65 H new ATOM 0 HE22 GLN B 22 -11.240 -12.436 1.663 1.00 2.65 H new ATOM 1990 N LYS B 23 -12.445 -6.917 5.012 1.00 0.35 N ATOM 1991 CA LYS B 23 -13.619 -6.673 5.831 1.00 0.39 C ATOM 1992 C LYS B 23 -14.666 -5.870 5.061 1.00 0.41 C ATOM 1993 O LYS B 23 -15.865 -6.088 5.225 1.00 0.49 O ATOM 1994 CB LYS B 23 -13.246 -5.991 7.161 1.00 0.41 C ATOM 1995 CG LYS B 23 -12.656 -4.603 7.043 1.00 0.42 C ATOM 1996 CD LYS B 23 -11.763 -4.309 8.240 1.00 0.63 C ATOM 1997 CE LYS B 23 -11.836 -2.860 8.661 1.00 0.64 C ATOM 1998 NZ LYS B 23 -10.872 -2.546 9.750 1.00 0.91 N ATOM 0 H LYS B 23 -11.699 -6.228 5.108 1.00 0.35 H new ATOM 0 HA LYS B 23 -14.060 -7.639 6.078 1.00 0.39 H new ATOM 0 HB2 LYS B 23 -14.140 -5.934 7.782 1.00 0.41 H new ATOM 0 HB3 LYS B 23 -12.532 -6.626 7.686 1.00 0.41 H new ATOM 0 HG2 LYS B 23 -12.080 -4.522 6.121 1.00 0.42 H new ATOM 0 HG3 LYS B 23 -13.455 -3.864 6.986 1.00 0.42 H new ATOM 0 HD2 LYS B 23 -12.057 -4.944 9.076 1.00 0.63 H new ATOM 0 HD3 LYS B 23 -10.732 -4.563 7.994 1.00 0.63 H new ATOM 0 HE2 LYS B 23 -11.632 -2.222 7.801 1.00 0.64 H new ATOM 0 HE3 LYS B 23 -12.848 -2.630 8.995 1.00 0.64 H new ATOM 0 HZ1 LYS B 23 -10.990 -1.555 10.044 1.00 0.91 H new ATOM 0 HZ2 LYS B 23 -11.050 -3.171 10.562 1.00 0.91 H new ATOM 0 HZ3 LYS B 23 -9.901 -2.692 9.407 1.00 0.91 H new ATOM 2012 N TYR B 24 -14.221 -4.945 4.220 1.00 0.36 N ATOM 2013 CA TYR B 24 -15.145 -4.121 3.451 1.00 0.39 C ATOM 2014 C TYR B 24 -15.529 -4.758 2.119 1.00 0.34 C ATOM 2015 O TYR B 24 -16.678 -4.680 1.700 1.00 0.40 O ATOM 2016 CB TYR B 24 -14.566 -2.722 3.267 1.00 0.46 C ATOM 2017 CG TYR B 24 -14.389 -2.021 4.597 1.00 0.86 C ATOM 2018 CD1 TYR B 24 -15.436 -1.971 5.511 1.00 1.52 C ATOM 2019 CD2 TYR B 24 -13.184 -1.442 4.957 1.00 1.66 C ATOM 2020 CE1 TYR B 24 -15.289 -1.359 6.738 1.00 1.83 C ATOM 2021 CE2 TYR B 24 -13.028 -0.834 6.186 1.00 1.99 C ATOM 2022 CZ TYR B 24 -14.083 -0.793 7.071 1.00 1.71 C ATOM 2023 OH TYR B 24 -13.927 -0.188 8.296 1.00 2.15 O ATOM 0 H TYR B 24 -13.234 -4.747 4.054 1.00 0.36 H new ATOM 0 HA TYR B 24 -16.072 -4.041 4.018 1.00 0.39 H new ATOM 0 HB2 TYR B 24 -13.605 -2.788 2.757 1.00 0.46 H new ATOM 0 HB3 TYR B 24 -15.225 -2.134 2.629 1.00 0.46 H new ATOM 0 HD1 TYR B 24 -16.384 -2.421 5.255 1.00 1.52 H new ATOM 0 HD2 TYR B 24 -12.354 -1.467 4.266 1.00 1.66 H new ATOM 0 HE1 TYR B 24 -16.116 -1.325 7.432 1.00 1.83 H new ATOM 0 HE2 TYR B 24 -12.080 -0.391 6.454 1.00 1.99 H new ATOM 0 HH TYR B 24 -13.488 0.680 8.178 1.00 2.15 H new ATOM 2033 N ALA B 25 -14.572 -5.391 1.468 1.00 0.29 N ATOM 2034 CA ALA B 25 -14.813 -6.064 0.201 1.00 0.34 C ATOM 2035 C ALA B 25 -15.479 -7.416 0.428 1.00 0.47 C ATOM 2036 O ALA B 25 -16.104 -7.983 -0.468 1.00 0.58 O ATOM 2037 CB ALA B 25 -13.500 -6.239 -0.541 1.00 0.37 C ATOM 0 H ALA B 25 -13.609 -5.455 1.798 1.00 0.29 H new ATOM 0 HA ALA B 25 -15.485 -5.453 -0.401 1.00 0.34 H new ATOM 0 HB1 ALA B 25 -13.683 -6.743 -1.490 1.00 0.37 H new ATOM 0 HB2 ALA B 25 -13.055 -5.262 -0.729 1.00 0.37 H new ATOM 0 HB3 ALA B 25 -12.818 -6.838 0.063 1.00 0.37 H new ATOM 2043 N GLY B 26 -15.353 -7.919 1.652 1.00 0.50 N ATOM 2044 CA GLY B 26 -15.953 -9.191 2.002 1.00 0.64 C ATOM 2045 C GLY B 26 -17.444 -9.071 2.250 1.00 0.76 C ATOM 2046 O GLY B 26 -18.085 -10.014 2.714 1.00 0.96 O ATOM 0 H GLY B 26 -14.843 -7.465 2.410 1.00 0.50 H new ATOM 0 HA2 GLY B 26 -15.776 -9.907 1.200 1.00 0.64 H new ATOM 0 HA3 GLY B 26 -15.468 -9.586 2.895 1.00 0.64 H new ATOM 2050 N LYS B 27 -17.993 -7.908 1.937 1.00 0.69 N ATOM 2051 CA LYS B 27 -19.411 -7.646 2.124 1.00 0.82 C ATOM 2052 C LYS B 27 -20.202 -8.047 0.890 1.00 0.95 C ATOM 2053 O LYS B 27 -21.395 -8.346 0.971 1.00 1.11 O ATOM 2054 CB LYS B 27 -19.635 -6.160 2.398 1.00 0.77 C ATOM 2055 CG LYS B 27 -18.952 -5.669 3.658 1.00 0.81 C ATOM 2056 CD LYS B 27 -19.134 -4.174 3.861 1.00 0.86 C ATOM 2057 CE LYS B 27 -18.665 -3.766 5.250 1.00 1.11 C ATOM 2058 NZ LYS B 27 -19.494 -4.383 6.319 1.00 1.72 N ATOM 0 H LYS B 27 -17.471 -7.123 1.548 1.00 0.69 H new ATOM 0 HA LYS B 27 -19.755 -8.236 2.974 1.00 0.82 H new ATOM 0 HB2 LYS B 27 -19.271 -5.583 1.548 1.00 0.77 H new ATOM 0 HB3 LYS B 27 -20.705 -5.970 2.477 1.00 0.77 H new ATOM 0 HG2 LYS B 27 -19.354 -6.203 4.519 1.00 0.81 H new ATOM 0 HG3 LYS B 27 -17.888 -5.901 3.607 1.00 0.81 H new ATOM 0 HD2 LYS B 27 -18.571 -3.627 3.105 1.00 0.86 H new ATOM 0 HD3 LYS B 27 -20.183 -3.908 3.732 1.00 0.86 H new ATOM 0 HE2 LYS B 27 -17.624 -4.060 5.383 1.00 1.11 H new ATOM 0 HE3 LYS B 27 -18.703 -2.681 5.342 1.00 1.11 H new ATOM 0 HZ1 LYS B 27 -19.842 -3.642 6.960 1.00 1.72 H new ATOM 0 HZ2 LYS B 27 -20.303 -4.877 5.890 1.00 1.72 H new ATOM 0 HZ3 LYS B 27 -18.918 -5.063 6.856 1.00 1.72 H new ATOM 2072 N ASP B 28 -19.530 -8.052 -0.250 1.00 1.00 N ATOM 2073 CA ASP B 28 -20.194 -8.275 -1.524 1.00 1.19 C ATOM 2074 C ASP B 28 -20.524 -9.748 -1.736 1.00 1.26 C ATOM 2075 O ASP B 28 -21.471 -10.085 -2.444 1.00 1.58 O ATOM 2076 CB ASP B 28 -19.312 -7.755 -2.654 1.00 1.33 C ATOM 2077 CG ASP B 28 -19.955 -7.913 -4.014 1.00 1.65 C ATOM 2078 OD1 ASP B 28 -21.014 -7.293 -4.258 1.00 2.15 O ATOM 2079 OD2 ASP B 28 -19.406 -8.657 -4.847 1.00 2.09 O ATOM 0 H ASP B 28 -18.523 -7.904 -0.319 1.00 1.00 H new ATOM 0 HA ASP B 28 -21.138 -7.731 -1.520 1.00 1.19 H new ATOM 0 HB2 ASP B 28 -19.090 -6.702 -2.481 1.00 1.33 H new ATOM 0 HB3 ASP B 28 -18.361 -8.287 -2.642 1.00 1.33 H new ATOM 2084 N GLY B 29 -19.755 -10.623 -1.101 1.00 1.15 N ATOM 2085 CA GLY B 29 -20.051 -12.047 -1.130 1.00 1.32 C ATOM 2086 C GLY B 29 -19.670 -12.735 -2.432 1.00 1.51 C ATOM 2087 O GLY B 29 -19.211 -13.879 -2.411 1.00 1.64 O ATOM 0 H GLY B 29 -18.926 -10.372 -0.562 1.00 1.15 H new ATOM 0 HA2 GLY B 29 -19.526 -12.533 -0.308 1.00 1.32 H new ATOM 0 HA3 GLY B 29 -21.117 -12.189 -0.955 1.00 1.32 H new ATOM 2091 N TYR B 30 -19.857 -12.043 -3.554 1.00 2.07 N ATOM 2092 CA TYR B 30 -19.601 -12.605 -4.879 1.00 2.80 C ATOM 2093 C TYR B 30 -18.198 -13.197 -4.969 1.00 2.61 C ATOM 2094 O TYR B 30 -18.035 -14.408 -5.107 1.00 3.02 O ATOM 2095 CB TYR B 30 -19.804 -11.526 -5.948 1.00 3.68 C ATOM 2096 CG TYR B 30 -19.538 -11.986 -7.365 1.00 4.52 C ATOM 2097 CD1 TYR B 30 -20.319 -12.969 -7.959 1.00 5.11 C ATOM 2098 CD2 TYR B 30 -18.513 -11.422 -8.114 1.00 5.12 C ATOM 2099 CE1 TYR B 30 -20.086 -13.378 -9.259 1.00 6.04 C ATOM 2100 CE2 TYR B 30 -18.271 -11.827 -9.412 1.00 6.09 C ATOM 2101 CZ TYR B 30 -19.061 -12.804 -9.980 1.00 6.46 C ATOM 2102 OH TYR B 30 -18.829 -13.203 -11.279 1.00 7.51 O ATOM 0 H TYR B 30 -20.190 -11.079 -3.571 1.00 2.07 H new ATOM 0 HA TYR B 30 -20.309 -13.415 -5.052 1.00 2.80 H new ATOM 0 HB2 TYR B 30 -20.828 -11.159 -5.885 1.00 3.68 H new ATOM 0 HB3 TYR B 30 -19.149 -10.684 -5.724 1.00 3.68 H new ATOM 0 HD1 TYR B 30 -21.122 -13.422 -7.396 1.00 5.11 H new ATOM 0 HD2 TYR B 30 -17.895 -10.654 -7.674 1.00 5.12 H new ATOM 0 HE1 TYR B 30 -20.703 -14.143 -9.707 1.00 6.04 H new ATOM 0 HE2 TYR B 30 -17.467 -11.381 -9.979 1.00 6.09 H new ATOM 0 HH TYR B 30 -18.072 -12.700 -11.645 1.00 7.51 H new ATOM 2112 N ASN B 31 -17.187 -12.349 -4.875 1.00 2.62 N ATOM 2113 CA ASN B 31 -15.807 -12.818 -4.896 1.00 2.78 C ATOM 2114 C ASN B 31 -15.055 -12.344 -3.663 1.00 1.96 C ATOM 2115 O ASN B 31 -15.064 -13.002 -2.621 1.00 2.53 O ATOM 2116 CB ASN B 31 -15.068 -12.358 -6.164 1.00 3.85 C ATOM 2117 CG ASN B 31 -15.348 -13.227 -7.377 1.00 4.61 C ATOM 2118 OD1 ASN B 31 -16.417 -13.817 -7.502 1.00 4.92 O ATOM 2119 ND2 ASN B 31 -14.387 -13.307 -8.286 1.00 5.33 N ATOM 0 H ASN B 31 -17.292 -11.339 -4.784 1.00 2.62 H new ATOM 0 HA ASN B 31 -15.840 -13.907 -4.897 1.00 2.78 H new ATOM 0 HB2 ASN B 31 -15.354 -11.331 -6.389 1.00 3.85 H new ATOM 0 HB3 ASN B 31 -13.996 -12.355 -5.969 1.00 3.85 H new ATOM 0 HD21 ASN B 31 -14.523 -13.873 -9.124 1.00 5.33 H new ATOM 0 HD22 ASN B 31 -13.511 -12.802 -8.148 1.00 5.33 H new ATOM 2126 N TYR B 32 -14.436 -11.182 -3.787 1.00 1.18 N ATOM 2127 CA TYR B 32 -13.642 -10.589 -2.719 1.00 1.18 C ATOM 2128 C TYR B 32 -13.367 -9.138 -3.066 1.00 0.91 C ATOM 2129 O TYR B 32 -12.365 -8.565 -2.668 1.00 1.04 O ATOM 2130 CB TYR B 32 -12.319 -11.357 -2.537 1.00 1.78 C ATOM 2131 CG TYR B 32 -11.529 -11.539 -3.822 1.00 2.38 C ATOM 2132 CD1 TYR B 32 -10.636 -10.568 -4.262 1.00 3.08 C ATOM 2133 CD2 TYR B 32 -11.680 -12.684 -4.594 1.00 2.99 C ATOM 2134 CE1 TYR B 32 -9.923 -10.732 -5.433 1.00 3.93 C ATOM 2135 CE2 TYR B 32 -10.968 -12.855 -5.766 1.00 3.86 C ATOM 2136 CZ TYR B 32 -10.092 -11.877 -6.181 1.00 4.19 C ATOM 2137 OH TYR B 32 -9.386 -12.043 -7.350 1.00 5.19 O ATOM 0 H TYR B 32 -14.469 -10.618 -4.636 1.00 1.18 H new ATOM 0 HA TYR B 32 -14.193 -10.646 -1.780 1.00 1.18 H new ATOM 0 HB2 TYR B 32 -11.700 -10.827 -1.814 1.00 1.78 H new ATOM 0 HB3 TYR B 32 -12.535 -12.338 -2.113 1.00 1.78 H new ATOM 0 HD1 TYR B 32 -10.498 -9.670 -3.678 1.00 3.08 H new ATOM 0 HD2 TYR B 32 -12.366 -13.454 -4.273 1.00 2.99 H new ATOM 0 HE1 TYR B 32 -9.236 -9.966 -5.761 1.00 3.93 H new ATOM 0 HE2 TYR B 32 -11.098 -13.752 -6.354 1.00 3.86 H new ATOM 0 HH TYR B 32 -9.621 -12.904 -7.754 1.00 5.19 H new ATOM 2147 N THR B 33 -14.285 -8.559 -3.811 1.00 0.66 N ATOM 2148 CA THR B 33 -14.087 -7.258 -4.419 1.00 0.45 C ATOM 2149 C THR B 33 -14.921 -6.205 -3.711 1.00 0.37 C ATOM 2150 O THR B 33 -16.053 -6.462 -3.305 1.00 0.44 O ATOM 2151 CB THR B 33 -14.475 -7.335 -5.907 1.00 0.45 C ATOM 2152 OG1 THR B 33 -14.481 -8.710 -6.330 1.00 0.66 O ATOM 2153 CG2 THR B 33 -13.500 -6.557 -6.775 1.00 0.43 C ATOM 0 H THR B 33 -15.193 -8.978 -4.013 1.00 0.66 H new ATOM 0 HA THR B 33 -13.039 -6.974 -4.329 1.00 0.45 H new ATOM 0 HB THR B 33 -15.466 -6.896 -6.020 1.00 0.45 H new ATOM 0 HG1 THR B 33 -14.730 -8.760 -7.277 1.00 0.66 H new ATOM 0 HG21 THR B 33 -13.803 -6.632 -7.819 1.00 0.43 H new ATOM 0 HG22 THR B 33 -13.499 -5.510 -6.472 1.00 0.43 H new ATOM 0 HG23 THR B 33 -12.498 -6.970 -6.657 1.00 0.43 H new ATOM 2161 N LEU B 34 -14.352 -5.020 -3.585 1.00 0.32 N ATOM 2162 CA LEU B 34 -14.999 -3.919 -2.904 1.00 0.30 C ATOM 2163 C LEU B 34 -15.919 -3.219 -3.877 1.00 0.31 C ATOM 2164 O LEU B 34 -15.474 -2.542 -4.799 1.00 0.34 O ATOM 2165 CB LEU B 34 -13.921 -2.969 -2.368 1.00 0.29 C ATOM 2166 CG LEU B 34 -13.895 -2.806 -0.852 1.00 0.29 C ATOM 2167 CD1 LEU B 34 -12.535 -2.316 -0.386 1.00 0.45 C ATOM 2168 CD2 LEU B 34 -14.971 -1.841 -0.405 1.00 0.28 C ATOM 0 H LEU B 34 -13.427 -4.796 -3.953 1.00 0.32 H new ATOM 0 HA LEU B 34 -15.594 -4.273 -2.062 1.00 0.30 H new ATOM 0 HB2 LEU B 34 -12.946 -3.330 -2.695 1.00 0.29 H new ATOM 0 HB3 LEU B 34 -14.066 -1.988 -2.820 1.00 0.29 H new ATOM 0 HG LEU B 34 -14.086 -3.781 -0.404 1.00 0.29 H new ATOM 0 HD11 LEU B 34 -12.540 -2.207 0.699 1.00 0.45 H new ATOM 0 HD12 LEU B 34 -11.770 -3.037 -0.675 1.00 0.45 H new ATOM 0 HD13 LEU B 34 -12.318 -1.352 -0.847 1.00 0.45 H new ATOM 0 HD21 LEU B 34 -14.938 -1.736 0.679 1.00 0.28 H new ATOM 0 HD22 LEU B 34 -14.803 -0.869 -0.869 1.00 0.28 H new ATOM 0 HD23 LEU B 34 -15.948 -2.222 -0.703 1.00 0.28 H new ATOM 2180 N SER B 35 -17.207 -3.438 -3.682 1.00 0.31 N ATOM 2181 CA SER B 35 -18.217 -2.970 -4.609 1.00 0.33 C ATOM 2182 C SER B 35 -18.351 -1.457 -4.547 1.00 0.32 C ATOM 2183 O SER B 35 -17.819 -0.823 -3.634 1.00 0.30 O ATOM 2184 CB SER B 35 -19.553 -3.657 -4.316 1.00 0.37 C ATOM 2185 OG SER B 35 -20.516 -3.378 -5.321 1.00 0.40 O ATOM 0 H SER B 35 -17.580 -3.944 -2.879 1.00 0.31 H new ATOM 0 HA SER B 35 -17.911 -3.230 -5.622 1.00 0.33 H new ATOM 0 HB2 SER B 35 -19.401 -4.734 -4.246 1.00 0.37 H new ATOM 0 HB3 SER B 35 -19.929 -3.324 -3.349 1.00 0.37 H new ATOM 0 HG SER B 35 -21.356 -3.833 -5.104 1.00 0.40 H new ATOM 2191 N LYS B 36 -19.078 -0.894 -5.516 1.00 0.38 N ATOM 2192 CA LYS B 36 -19.174 0.551 -5.688 1.00 0.42 C ATOM 2193 C LYS B 36 -19.494 1.226 -4.369 1.00 0.36 C ATOM 2194 O LYS B 36 -18.692 1.977 -3.828 1.00 0.35 O ATOM 2195 CB LYS B 36 -20.257 0.892 -6.720 1.00 0.53 C ATOM 2196 CG LYS B 36 -20.483 2.386 -6.914 1.00 0.62 C ATOM 2197 CD LYS B 36 -19.242 3.069 -7.456 1.00 0.66 C ATOM 2198 CE LYS B 36 -19.453 4.562 -7.667 1.00 0.61 C ATOM 2199 NZ LYS B 36 -20.442 4.849 -8.740 1.00 0.65 N ATOM 0 H LYS B 36 -19.614 -1.429 -6.200 1.00 0.38 H new ATOM 0 HA LYS B 36 -18.211 0.917 -6.045 1.00 0.42 H new ATOM 0 HB2 LYS B 36 -19.983 0.449 -7.678 1.00 0.53 H new ATOM 0 HB3 LYS B 36 -21.195 0.430 -6.412 1.00 0.53 H new ATOM 0 HG2 LYS B 36 -21.315 2.543 -7.600 1.00 0.62 H new ATOM 0 HG3 LYS B 36 -20.763 2.839 -5.963 1.00 0.62 H new ATOM 0 HD2 LYS B 36 -18.413 2.915 -6.765 1.00 0.66 H new ATOM 0 HD3 LYS B 36 -18.958 2.607 -8.401 1.00 0.66 H new ATOM 0 HE2 LYS B 36 -19.791 5.014 -6.734 1.00 0.61 H new ATOM 0 HE3 LYS B 36 -18.501 5.029 -7.920 1.00 0.61 H new ATOM 0 HZ1 LYS B 36 -20.141 5.689 -9.274 1.00 0.65 H new ATOM 0 HZ2 LYS B 36 -20.503 4.034 -9.383 1.00 0.65 H new ATOM 0 HZ3 LYS B 36 -21.375 5.025 -8.315 1.00 0.65 H new ATOM 2213 N THR B 37 -20.645 0.899 -3.833 1.00 0.37 N ATOM 2214 CA THR B 37 -21.126 1.525 -2.628 1.00 0.38 C ATOM 2215 C THR B 37 -20.258 1.172 -1.426 1.00 0.36 C ATOM 2216 O THR B 37 -20.097 1.981 -0.507 1.00 0.38 O ATOM 2217 CB THR B 37 -22.560 1.101 -2.350 1.00 0.44 C ATOM 2218 OG1 THR B 37 -23.372 1.373 -3.502 1.00 0.47 O ATOM 2219 CG2 THR B 37 -23.101 1.842 -1.141 1.00 0.49 C ATOM 0 H THR B 37 -21.272 0.193 -4.219 1.00 0.37 H new ATOM 0 HA THR B 37 -21.081 2.603 -2.782 1.00 0.38 H new ATOM 0 HB THR B 37 -22.583 0.032 -2.139 1.00 0.44 H new ATOM 0 HG1 THR B 37 -24.296 1.098 -3.323 1.00 0.47 H new ATOM 0 HG21 THR B 37 -24.128 1.530 -0.952 1.00 0.49 H new ATOM 0 HG22 THR B 37 -22.487 1.614 -0.270 1.00 0.49 H new ATOM 0 HG23 THR B 37 -23.077 2.915 -1.331 1.00 0.49 H new ATOM 2227 N GLU B 38 -19.698 -0.031 -1.437 1.00 0.34 N ATOM 2228 CA GLU B 38 -18.807 -0.449 -0.379 1.00 0.33 C ATOM 2229 C GLU B 38 -17.643 0.534 -0.294 1.00 0.33 C ATOM 2230 O GLU B 38 -17.538 1.269 0.685 1.00 0.48 O ATOM 2231 CB GLU B 38 -18.343 -1.879 -0.615 1.00 0.34 C ATOM 2232 CG GLU B 38 -19.516 -2.841 -0.698 1.00 0.47 C ATOM 2233 CD GLU B 38 -19.109 -4.275 -0.939 1.00 1.27 C ATOM 2234 OE1 GLU B 38 -17.984 -4.506 -1.415 1.00 1.96 O ATOM 2235 OE2 GLU B 38 -19.933 -5.170 -0.669 1.00 2.16 O ATOM 0 H GLU B 38 -19.848 -0.727 -2.167 1.00 0.34 H new ATOM 0 HA GLU B 38 -19.327 -0.442 0.579 1.00 0.33 H new ATOM 0 HB2 GLU B 38 -17.766 -1.927 -1.539 1.00 0.34 H new ATOM 0 HB3 GLU B 38 -17.678 -2.184 0.193 1.00 0.34 H new ATOM 0 HG2 GLU B 38 -20.086 -2.785 0.229 1.00 0.47 H new ATOM 0 HG3 GLU B 38 -20.181 -2.521 -1.501 1.00 0.47 H new ATOM 2242 N PHE B 39 -16.827 0.650 -1.345 1.00 0.29 N ATOM 2243 CA PHE B 39 -15.674 1.543 -1.250 1.00 0.31 C ATOM 2244 C PHE B 39 -16.128 2.975 -1.078 1.00 0.28 C ATOM 2245 O PHE B 39 -15.437 3.762 -0.470 1.00 0.27 O ATOM 2246 CB PHE B 39 -14.668 1.438 -2.409 1.00 0.53 C ATOM 2247 CG PHE B 39 -15.221 1.547 -3.799 1.00 0.81 C ATOM 2248 CD1 PHE B 39 -15.586 2.773 -4.325 1.00 1.78 C ATOM 2249 CD2 PHE B 39 -15.338 0.424 -4.592 1.00 1.76 C ATOM 2250 CE1 PHE B 39 -16.066 2.871 -5.613 1.00 2.66 C ATOM 2251 CE2 PHE B 39 -15.820 0.514 -5.879 1.00 2.61 C ATOM 2252 CZ PHE B 39 -16.185 1.738 -6.389 1.00 2.87 C ATOM 0 H PHE B 39 -16.935 0.160 -2.233 1.00 0.29 H new ATOM 0 HA PHE B 39 -15.129 1.208 -0.368 1.00 0.31 H new ATOM 0 HB2 PHE B 39 -13.919 2.219 -2.280 1.00 0.53 H new ATOM 0 HB3 PHE B 39 -14.151 0.482 -2.324 1.00 0.53 H new ATOM 0 HD1 PHE B 39 -15.494 3.663 -3.720 1.00 1.78 H new ATOM 0 HD2 PHE B 39 -15.048 -0.539 -4.198 1.00 1.76 H new ATOM 0 HE1 PHE B 39 -16.348 3.833 -6.014 1.00 2.66 H new ATOM 0 HE2 PHE B 39 -15.911 -0.374 -6.486 1.00 2.61 H new ATOM 0 HZ PHE B 39 -16.565 1.811 -7.397 1.00 2.87 H new ATOM 2262 N LEU B 40 -17.299 3.302 -1.589 1.00 0.33 N ATOM 2263 CA LEU B 40 -17.883 4.616 -1.361 1.00 0.37 C ATOM 2264 C LEU B 40 -17.925 4.947 0.132 1.00 0.40 C ATOM 2265 O LEU B 40 -17.417 5.978 0.570 1.00 0.43 O ATOM 2266 CB LEU B 40 -19.299 4.661 -1.935 1.00 0.43 C ATOM 2267 CG LEU B 40 -19.454 5.277 -3.334 1.00 0.50 C ATOM 2268 CD1 LEU B 40 -19.449 6.794 -3.266 1.00 1.07 C ATOM 2269 CD2 LEU B 40 -18.352 4.809 -4.260 1.00 0.46 C ATOM 0 H LEU B 40 -17.866 2.679 -2.164 1.00 0.33 H new ATOM 0 HA LEU B 40 -17.260 5.357 -1.862 1.00 0.37 H new ATOM 0 HB2 LEU B 40 -19.687 3.643 -1.966 1.00 0.43 H new ATOM 0 HB3 LEU B 40 -19.929 5.221 -1.244 1.00 0.43 H new ATOM 0 HG LEU B 40 -20.413 4.944 -3.730 1.00 0.50 H new ATOM 0 HD11 LEU B 40 -19.560 7.204 -4.270 1.00 1.07 H new ATOM 0 HD12 LEU B 40 -20.276 7.133 -2.642 1.00 1.07 H new ATOM 0 HD13 LEU B 40 -18.507 7.136 -2.837 1.00 1.07 H new ATOM 0 HD21 LEU B 40 -18.487 5.260 -5.243 1.00 0.46 H new ATOM 0 HD22 LEU B 40 -17.385 5.106 -3.854 1.00 0.46 H new ATOM 0 HD23 LEU B 40 -18.390 3.723 -4.351 1.00 0.46 H new ATOM 2281 N SER B 41 -18.511 4.056 0.913 1.00 0.42 N ATOM 2282 CA SER B 41 -18.656 4.273 2.344 1.00 0.52 C ATOM 2283 C SER B 41 -17.321 4.083 3.073 1.00 0.45 C ATOM 2284 O SER B 41 -17.013 4.799 4.020 1.00 0.47 O ATOM 2285 CB SER B 41 -19.712 3.315 2.905 1.00 0.67 C ATOM 2286 OG SER B 41 -19.959 3.553 4.280 1.00 1.40 O ATOM 0 H SER B 41 -18.896 3.172 0.580 1.00 0.42 H new ATOM 0 HA SER B 41 -18.978 5.302 2.507 1.00 0.52 H new ATOM 0 HB2 SER B 41 -20.640 3.427 2.344 1.00 0.67 H new ATOM 0 HB3 SER B 41 -19.379 2.286 2.768 1.00 0.67 H new ATOM 0 HG SER B 41 -20.638 2.925 4.604 1.00 1.40 H new ATOM 2292 N PHE B 42 -16.527 3.133 2.603 1.00 0.42 N ATOM 2293 CA PHE B 42 -15.278 2.742 3.264 1.00 0.46 C ATOM 2294 C PHE B 42 -14.141 3.671 2.885 1.00 0.29 C ATOM 2295 O PHE B 42 -13.160 3.796 3.605 1.00 0.42 O ATOM 2296 CB PHE B 42 -15.030 1.276 2.945 1.00 0.80 C ATOM 2297 CG PHE B 42 -16.251 0.485 3.341 1.00 1.89 C ATOM 2298 CD1 PHE B 42 -16.941 0.814 4.504 1.00 2.69 C ATOM 2299 CD2 PHE B 42 -16.755 -0.517 2.540 1.00 2.77 C ATOM 2300 CE1 PHE B 42 -18.095 0.151 4.854 1.00 3.73 C ATOM 2301 CE2 PHE B 42 -17.918 -1.175 2.879 1.00 3.80 C ATOM 2302 CZ PHE B 42 -18.587 -0.840 4.037 1.00 4.13 C ATOM 0 H PHE B 42 -16.725 2.607 1.752 1.00 0.42 H new ATOM 0 HA PHE B 42 -15.351 2.843 4.347 1.00 0.46 H new ATOM 0 HB2 PHE B 42 -14.826 1.149 1.882 1.00 0.80 H new ATOM 0 HB3 PHE B 42 -14.154 0.915 3.483 1.00 0.80 H new ATOM 0 HD1 PHE B 42 -16.565 1.601 5.141 1.00 2.69 H new ATOM 0 HD2 PHE B 42 -16.232 -0.790 1.635 1.00 2.77 H new ATOM 0 HE1 PHE B 42 -18.612 0.408 5.767 1.00 3.73 H new ATOM 0 HE2 PHE B 42 -18.305 -1.953 2.237 1.00 3.80 H new ATOM 0 HZ PHE B 42 -19.498 -1.356 4.303 1.00 4.13 H new ATOM 2312 N MET B 43 -14.292 4.347 1.770 1.00 0.26 N ATOM 2313 CA MET B 43 -13.444 5.482 1.457 1.00 0.29 C ATOM 2314 C MET B 43 -13.867 6.700 2.274 1.00 0.29 C ATOM 2315 O MET B 43 -13.036 7.507 2.658 1.00 0.37 O ATOM 2316 CB MET B 43 -13.517 5.820 -0.020 1.00 0.38 C ATOM 2317 CG MET B 43 -12.707 4.897 -0.921 1.00 0.62 C ATOM 2318 SD MET B 43 -13.010 5.200 -2.675 1.00 1.22 S ATOM 2319 CE MET B 43 -11.898 4.016 -3.426 1.00 2.25 C ATOM 0 H MET B 43 -14.994 4.133 1.061 1.00 0.26 H new ATOM 0 HA MET B 43 -12.418 5.213 1.708 1.00 0.29 H new ATOM 0 HB2 MET B 43 -14.560 5.791 -0.335 1.00 0.38 H new ATOM 0 HB3 MET B 43 -13.169 6.843 -0.163 1.00 0.38 H new ATOM 0 HG2 MET B 43 -11.646 5.030 -0.711 1.00 0.62 H new ATOM 0 HG3 MET B 43 -12.951 3.861 -0.687 1.00 0.62 H new ATOM 0 HE1 MET B 43 -12.323 3.663 -4.366 1.00 2.25 H new ATOM 0 HE2 MET B 43 -10.936 4.491 -3.618 1.00 2.25 H new ATOM 0 HE3 MET B 43 -11.757 3.171 -2.752 1.00 2.25 H new ATOM 2329 N ASN B 44 -15.162 6.841 2.537 1.00 0.29 N ATOM 2330 CA ASN B 44 -15.644 7.961 3.354 1.00 0.33 C ATOM 2331 C ASN B 44 -15.403 7.718 4.836 1.00 0.32 C ATOM 2332 O ASN B 44 -15.526 8.637 5.643 1.00 0.39 O ATOM 2333 CB ASN B 44 -17.133 8.228 3.150 1.00 0.42 C ATOM 2334 CG ASN B 44 -17.426 9.188 2.014 1.00 1.05 C ATOM 2335 OD1 ASN B 44 -17.404 10.406 2.194 1.00 1.53 O ATOM 2336 ND2 ASN B 44 -17.731 8.655 0.847 1.00 1.83 N ATOM 0 H ASN B 44 -15.890 6.208 2.205 1.00 0.29 H new ATOM 0 HA ASN B 44 -15.076 8.831 3.024 1.00 0.33 H new ATOM 0 HB2 ASN B 44 -17.640 7.283 2.956 1.00 0.42 H new ATOM 0 HB3 ASN B 44 -17.551 8.631 4.072 1.00 0.42 H new ATOM 0 HD21 ASN B 44 -17.959 9.257 0.056 1.00 1.83 H new ATOM 0 HD22 ASN B 44 -17.739 7.641 0.736 1.00 1.83 H new ATOM 2343 N THR B 45 -15.095 6.484 5.201 1.00 0.27 N ATOM 2344 CA THR B 45 -14.816 6.160 6.593 1.00 0.29 C ATOM 2345 C THR B 45 -13.331 5.962 6.816 1.00 0.28 C ATOM 2346 O THR B 45 -12.691 6.725 7.541 1.00 0.34 O ATOM 2347 CB THR B 45 -15.558 4.890 7.039 1.00 0.30 C ATOM 2348 OG1 THR B 45 -15.485 3.898 6.010 1.00 0.34 O ATOM 2349 CG2 THR B 45 -17.011 5.193 7.354 1.00 0.34 C ATOM 0 H THR B 45 -15.032 5.694 4.559 1.00 0.27 H new ATOM 0 HA THR B 45 -15.167 7.003 7.188 1.00 0.29 H new ATOM 0 HB THR B 45 -15.080 4.514 7.944 1.00 0.30 H new ATOM 0 HG1 THR B 45 -16.248 3.999 5.404 1.00 0.34 H new ATOM 0 HG21 THR B 45 -17.514 4.278 7.667 1.00 0.34 H new ATOM 0 HG22 THR B 45 -17.064 5.929 8.156 1.00 0.34 H new ATOM 0 HG23 THR B 45 -17.501 5.590 6.465 1.00 0.34 H new ATOM 2357 N GLU B 46 -12.781 4.958 6.154 1.00 0.23 N ATOM 2358 CA GLU B 46 -11.382 4.631 6.300 1.00 0.25 C ATOM 2359 C GLU B 46 -10.519 5.706 5.670 1.00 0.25 C ATOM 2360 O GLU B 46 -9.436 6.010 6.146 1.00 0.34 O ATOM 2361 CB GLU B 46 -11.068 3.282 5.664 1.00 0.29 C ATOM 2362 CG GLU B 46 -11.728 2.101 6.348 1.00 0.57 C ATOM 2363 CD GLU B 46 -11.392 2.008 7.824 1.00 1.17 C ATOM 2364 OE1 GLU B 46 -10.193 2.013 8.175 1.00 1.70 O ATOM 2365 OE2 GLU B 46 -12.332 1.910 8.644 1.00 1.68 O ATOM 0 H GLU B 46 -13.290 4.355 5.508 1.00 0.23 H new ATOM 0 HA GLU B 46 -11.161 4.573 7.366 1.00 0.25 H new ATOM 0 HB2 GLU B 46 -11.381 3.304 4.620 1.00 0.29 H new ATOM 0 HB3 GLU B 46 -9.988 3.133 5.670 1.00 0.29 H new ATOM 0 HG2 GLU B 46 -12.809 2.178 6.231 1.00 0.57 H new ATOM 0 HG3 GLU B 46 -11.418 1.181 5.852 1.00 0.57 H new ATOM 2372 N LEU B 47 -11.000 6.309 4.610 1.00 0.25 N ATOM 2373 CA LEU B 47 -10.192 7.298 3.919 1.00 0.26 C ATOM 2374 C LEU B 47 -10.828 8.660 3.986 1.00 0.28 C ATOM 2375 O LEU B 47 -10.634 9.494 3.110 1.00 0.30 O ATOM 2376 CB LEU B 47 -9.967 6.886 2.480 1.00 0.26 C ATOM 2377 CG LEU B 47 -9.248 5.558 2.322 1.00 0.27 C ATOM 2378 CD1 LEU B 47 -9.255 5.134 0.868 1.00 0.32 C ATOM 2379 CD2 LEU B 47 -7.825 5.668 2.857 1.00 0.28 C ATOM 0 H LEU B 47 -11.923 6.142 4.210 1.00 0.25 H new ATOM 0 HA LEU B 47 -9.225 7.354 4.420 1.00 0.26 H new ATOM 0 HB2 LEU B 47 -10.931 6.828 1.975 1.00 0.26 H new ATOM 0 HB3 LEU B 47 -9.390 7.662 1.977 1.00 0.26 H new ATOM 0 HG LEU B 47 -9.769 4.795 2.900 1.00 0.27 H new ATOM 0 HD11 LEU B 47 -8.737 4.181 0.765 1.00 0.32 H new ATOM 0 HD12 LEU B 47 -10.284 5.027 0.525 1.00 0.32 H new ATOM 0 HD13 LEU B 47 -8.749 5.889 0.266 1.00 0.32 H new ATOM 0 HD21 LEU B 47 -7.317 4.711 2.739 1.00 0.28 H new ATOM 0 HD22 LEU B 47 -7.286 6.435 2.302 1.00 0.28 H new ATOM 0 HD23 LEU B 47 -7.853 5.937 3.913 1.00 0.28 H new ATOM 2391 N ALA B 48 -11.591 8.873 5.037 1.00 0.32 N ATOM 2392 CA ALA B 48 -12.241 10.142 5.262 1.00 0.37 C ATOM 2393 C ALA B 48 -11.220 11.268 5.380 1.00 0.39 C ATOM 2394 O ALA B 48 -11.529 12.428 5.124 1.00 0.44 O ATOM 2395 CB ALA B 48 -13.104 10.042 6.498 1.00 0.41 C ATOM 0 H ALA B 48 -11.776 8.173 5.756 1.00 0.32 H new ATOM 0 HA ALA B 48 -12.875 10.381 4.408 1.00 0.37 H new ATOM 0 HB1 ALA B 48 -13.599 10.997 6.675 1.00 0.41 H new ATOM 0 HB2 ALA B 48 -13.855 9.265 6.355 1.00 0.41 H new ATOM 0 HB3 ALA B 48 -12.482 9.791 7.357 1.00 0.41 H new ATOM 2401 N ALA B 49 -10.000 10.914 5.754 1.00 0.38 N ATOM 2402 CA ALA B 49 -8.892 11.855 5.763 1.00 0.41 C ATOM 2403 C ALA B 49 -8.711 12.470 4.381 1.00 0.41 C ATOM 2404 O ALA B 49 -8.497 13.673 4.240 1.00 0.47 O ATOM 2405 CB ALA B 49 -7.620 11.143 6.188 1.00 0.44 C ATOM 0 H ALA B 49 -9.752 9.973 6.058 1.00 0.38 H new ATOM 0 HA ALA B 49 -9.110 12.653 6.473 1.00 0.41 H new ATOM 0 HB1 ALA B 49 -6.791 11.851 6.194 1.00 0.44 H new ATOM 0 HB2 ALA B 49 -7.751 10.730 7.188 1.00 0.44 H new ATOM 0 HB3 ALA B 49 -7.403 10.336 5.488 1.00 0.44 H new ATOM 2411 N PHE B 50 -8.804 11.622 3.371 1.00 0.36 N ATOM 2412 CA PHE B 50 -8.674 12.037 1.984 1.00 0.37 C ATOM 2413 C PHE B 50 -10.018 12.507 1.436 1.00 0.38 C ATOM 2414 O PHE B 50 -10.154 13.631 0.960 1.00 0.44 O ATOM 2415 CB PHE B 50 -8.164 10.859 1.153 1.00 0.35 C ATOM 2416 CG PHE B 50 -7.840 11.212 -0.273 1.00 0.70 C ATOM 2417 CD1 PHE B 50 -6.643 11.832 -0.590 1.00 1.33 C ATOM 2418 CD2 PHE B 50 -8.730 10.917 -1.295 1.00 1.63 C ATOM 2419 CE1 PHE B 50 -6.339 12.154 -1.898 1.00 1.67 C ATOM 2420 CE2 PHE B 50 -8.431 11.239 -2.606 1.00 2.10 C ATOM 2421 CZ PHE B 50 -7.234 11.857 -2.907 1.00 1.80 C ATOM 0 H PHE B 50 -8.972 10.623 3.490 1.00 0.36 H new ATOM 0 HA PHE B 50 -7.968 12.866 1.927 1.00 0.37 H new ATOM 0 HB2 PHE B 50 -7.271 10.452 1.628 1.00 0.35 H new ATOM 0 HB3 PHE B 50 -8.916 10.070 1.160 1.00 0.35 H new ATOM 0 HD1 PHE B 50 -5.939 12.066 0.195 1.00 1.33 H new ATOM 0 HD2 PHE B 50 -9.666 10.431 -1.064 1.00 1.63 H new ATOM 0 HE1 PHE B 50 -5.402 12.638 -2.132 1.00 1.67 H new ATOM 0 HE2 PHE B 50 -9.133 11.007 -3.393 1.00 2.10 H new ATOM 0 HZ PHE B 50 -6.998 12.108 -3.930 1.00 1.80 H new ATOM 2431 N THR B 51 -11.005 11.632 1.545 1.00 0.36 N ATOM 2432 CA THR B 51 -12.313 11.820 0.939 1.00 0.40 C ATOM 2433 C THR B 51 -13.031 13.072 1.447 1.00 0.45 C ATOM 2434 O THR B 51 -13.680 13.778 0.675 1.00 0.53 O ATOM 2435 CB THR B 51 -13.183 10.588 1.219 1.00 0.39 C ATOM 2436 OG1 THR B 51 -12.516 9.410 0.751 1.00 0.39 O ATOM 2437 CG2 THR B 51 -14.543 10.710 0.555 1.00 0.49 C ATOM 0 H THR B 51 -10.918 10.759 2.065 1.00 0.36 H new ATOM 0 HA THR B 51 -12.156 11.951 -0.132 1.00 0.40 H new ATOM 0 HB THR B 51 -13.339 10.519 2.296 1.00 0.39 H new ATOM 0 HG1 THR B 51 -12.575 8.708 1.432 1.00 0.39 H new ATOM 0 HG21 THR B 51 -15.135 9.821 0.773 1.00 0.49 H new ATOM 0 HG22 THR B 51 -15.057 11.591 0.938 1.00 0.49 H new ATOM 0 HG23 THR B 51 -14.414 10.805 -0.523 1.00 0.49 H new ATOM 2445 N LYS B 52 -12.922 13.349 2.737 1.00 0.47 N ATOM 2446 CA LYS B 52 -13.609 14.499 3.312 1.00 0.60 C ATOM 2447 C LYS B 52 -12.812 15.769 3.062 1.00 0.69 C ATOM 2448 O LYS B 52 -13.342 16.879 3.134 1.00 0.84 O ATOM 2449 CB LYS B 52 -13.831 14.306 4.808 1.00 0.70 C ATOM 2450 CG LYS B 52 -14.619 13.050 5.147 1.00 0.78 C ATOM 2451 CD LYS B 52 -16.031 13.095 4.589 1.00 1.07 C ATOM 2452 CE LYS B 52 -16.820 11.853 4.976 1.00 1.24 C ATOM 2453 NZ LYS B 52 -17.080 11.785 6.441 1.00 1.82 N ATOM 0 H LYS B 52 -12.372 12.802 3.400 1.00 0.47 H new ATOM 0 HA LYS B 52 -14.582 14.591 2.829 1.00 0.60 H new ATOM 0 HB2 LYS B 52 -12.864 14.265 5.309 1.00 0.70 H new ATOM 0 HB3 LYS B 52 -14.358 15.174 5.204 1.00 0.70 H new ATOM 0 HG2 LYS B 52 -14.100 12.178 4.749 1.00 0.78 H new ATOM 0 HG3 LYS B 52 -14.661 12.930 6.230 1.00 0.78 H new ATOM 0 HD2 LYS B 52 -16.542 13.983 4.960 1.00 1.07 H new ATOM 0 HD3 LYS B 52 -15.992 13.180 3.503 1.00 1.07 H new ATOM 0 HE2 LYS B 52 -17.769 11.846 4.440 1.00 1.24 H new ATOM 0 HE3 LYS B 52 -16.271 10.964 4.665 1.00 1.24 H new ATOM 0 HZ1 LYS B 52 -17.771 11.033 6.636 1.00 1.82 H new ATOM 0 HZ2 LYS B 52 -16.192 11.578 6.942 1.00 1.82 H new ATOM 0 HZ3 LYS B 52 -17.459 12.696 6.769 1.00 1.82 H new ATOM 2467 N ASN B 53 -11.532 15.591 2.767 1.00 0.68 N ATOM 2468 CA ASN B 53 -10.661 16.706 2.435 1.00 0.85 C ATOM 2469 C ASN B 53 -10.890 17.107 0.983 1.00 1.00 C ATOM 2470 O ASN B 53 -10.811 18.281 0.619 1.00 1.22 O ATOM 2471 CB ASN B 53 -9.202 16.309 2.663 1.00 0.92 C ATOM 2472 CG ASN B 53 -8.227 17.447 2.422 1.00 1.40 C ATOM 2473 OD1 ASN B 53 -8.539 18.616 2.652 1.00 1.93 O ATOM 2474 ND2 ASN B 53 -7.033 17.109 1.962 1.00 2.05 N ATOM 0 H ASN B 53 -11.073 14.680 2.751 1.00 0.68 H new ATOM 0 HA ASN B 53 -10.889 17.557 3.076 1.00 0.85 H new ATOM 0 HB2 ASN B 53 -9.086 15.950 3.686 1.00 0.92 H new ATOM 0 HB3 ASN B 53 -8.951 15.478 2.003 1.00 0.92 H new ATOM 0 HD21 ASN B 53 -6.332 17.829 1.785 1.00 2.05 H new ATOM 0 HD22 ASN B 53 -6.814 16.129 1.784 1.00 2.05 H new ATOM 2481 N GLN B 54 -11.198 16.110 0.168 1.00 1.01 N ATOM 2482 CA GLN B 54 -11.610 16.326 -1.209 1.00 1.29 C ATOM 2483 C GLN B 54 -13.119 16.145 -1.293 1.00 1.33 C ATOM 2484 O GLN B 54 -13.611 15.313 -2.056 1.00 2.05 O ATOM 2485 CB GLN B 54 -10.910 15.328 -2.141 1.00 1.74 C ATOM 2486 CG GLN B 54 -9.397 15.288 -1.983 1.00 2.17 C ATOM 2487 CD GLN B 54 -8.721 16.603 -2.331 1.00 2.39 C ATOM 2488 OE1 GLN B 54 -9.270 17.328 -3.295 1.00 2.90 O flip ATOM 2489 NE2 GLN B 54 -7.694 16.950 -1.752 1.00 2.71 N flip ATOM 0 H GLN B 54 -11.169 15.128 0.443 1.00 1.01 H new ATOM 0 HA GLN B 54 -11.334 17.333 -1.522 1.00 1.29 H new ATOM 0 HB2 GLN B 54 -11.311 14.331 -1.956 1.00 1.74 H new ATOM 0 HB3 GLN B 54 -11.150 15.581 -3.174 1.00 1.74 H new ATOM 0 HG2 GLN B 54 -9.153 15.023 -0.954 1.00 2.17 H new ATOM 0 HG3 GLN B 54 -8.993 14.500 -2.619 1.00 2.17 H new ATOM 0 HE21 GLN B 54 -7.302 16.365 -1.015 1.00 2.71 H new ATOM 0 HE22 GLN B 54 -7.234 17.823 -2.009 1.00 2.71 H new ATOM 2498 N LYS B 55 -13.837 16.935 -0.496 1.00 1.43 N ATOM 2499 CA LYS B 55 -15.270 16.747 -0.276 1.00 1.87 C ATOM 2500 C LYS B 55 -16.068 16.796 -1.576 1.00 1.59 C ATOM 2501 O LYS B 55 -16.401 17.872 -2.084 1.00 2.27 O ATOM 2502 CB LYS B 55 -15.794 17.800 0.705 1.00 2.84 C ATOM 2503 CG LYS B 55 -17.268 17.647 1.044 1.00 3.60 C ATOM 2504 CD LYS B 55 -17.743 18.756 1.966 1.00 4.28 C ATOM 2505 CE LYS B 55 -19.235 18.662 2.223 1.00 5.02 C ATOM 2506 NZ LYS B 55 -19.731 19.801 3.039 1.00 5.58 N ATOM 0 H LYS B 55 -13.441 17.724 0.016 1.00 1.43 H new ATOM 0 HA LYS B 55 -15.405 15.752 0.148 1.00 1.87 H new ATOM 0 HB2 LYS B 55 -15.212 17.746 1.625 1.00 2.84 H new ATOM 0 HB3 LYS B 55 -15.630 18.791 0.281 1.00 2.84 H new ATOM 0 HG2 LYS B 55 -17.857 17.657 0.127 1.00 3.60 H new ATOM 0 HG3 LYS B 55 -17.435 16.680 1.519 1.00 3.60 H new ATOM 0 HD2 LYS B 55 -17.205 18.700 2.912 1.00 4.28 H new ATOM 0 HD3 LYS B 55 -17.509 19.724 1.523 1.00 4.28 H new ATOM 0 HE2 LYS B 55 -19.766 18.639 1.272 1.00 5.02 H new ATOM 0 HE3 LYS B 55 -19.457 17.725 2.735 1.00 5.02 H new ATOM 0 HZ1 LYS B 55 -20.755 19.699 3.192 1.00 5.58 H new ATOM 0 HZ2 LYS B 55 -19.243 19.809 3.957 1.00 5.58 H new ATOM 0 HZ3 LYS B 55 -19.543 20.694 2.540 1.00 5.58 H new ATOM 2520 N ASP B 56 -16.357 15.615 -2.101 1.00 1.36 N ATOM 2521 CA ASP B 56 -17.171 15.456 -3.295 1.00 1.50 C ATOM 2522 C ASP B 56 -17.462 13.976 -3.495 1.00 1.27 C ATOM 2523 O ASP B 56 -16.543 13.173 -3.566 1.00 1.44 O ATOM 2524 CB ASP B 56 -16.447 16.004 -4.528 1.00 2.13 C ATOM 2525 CG ASP B 56 -17.354 16.088 -5.737 1.00 2.84 C ATOM 2526 OD1 ASP B 56 -17.637 15.043 -6.350 1.00 3.39 O ATOM 2527 OD2 ASP B 56 -17.799 17.208 -6.069 1.00 3.44 O ATOM 0 H ASP B 56 -16.030 14.733 -1.707 1.00 1.36 H new ATOM 0 HA ASP B 56 -18.099 16.013 -3.168 1.00 1.50 H new ATOM 0 HB2 ASP B 56 -16.051 16.995 -4.304 1.00 2.13 H new ATOM 0 HB3 ASP B 56 -15.595 15.365 -4.760 1.00 2.13 H new ATOM 2532 N PRO B 57 -18.737 13.583 -3.576 1.00 1.06 N ATOM 2533 CA PRO B 57 -19.117 12.170 -3.715 1.00 1.02 C ATOM 2534 C PRO B 57 -18.661 11.566 -5.041 1.00 0.76 C ATOM 2535 O PRO B 57 -18.682 10.347 -5.221 1.00 0.70 O ATOM 2536 CB PRO B 57 -20.645 12.206 -3.639 1.00 1.20 C ATOM 2537 CG PRO B 57 -21.006 13.584 -4.068 1.00 1.20 C ATOM 2538 CD PRO B 57 -19.913 14.466 -3.540 1.00 1.14 C ATOM 0 HA PRO B 57 -18.651 11.548 -2.951 1.00 1.02 H new ATOM 0 HB2 PRO B 57 -21.093 11.457 -4.292 1.00 1.20 H new ATOM 0 HB3 PRO B 57 -20.997 12.000 -2.628 1.00 1.20 H new ATOM 0 HG2 PRO B 57 -21.075 13.652 -5.154 1.00 1.20 H new ATOM 0 HG3 PRO B 57 -21.976 13.878 -3.668 1.00 1.20 H new ATOM 0 HD2 PRO B 57 -19.773 15.352 -4.160 1.00 1.14 H new ATOM 0 HD3 PRO B 57 -20.127 14.814 -2.530 1.00 1.14 H new ATOM 2546 N GLY B 58 -18.241 12.422 -5.960 1.00 0.67 N ATOM 2547 CA GLY B 58 -17.821 11.969 -7.263 1.00 0.56 C ATOM 2548 C GLY B 58 -16.356 11.608 -7.311 1.00 0.49 C ATOM 2549 O GLY B 58 -15.899 11.001 -8.272 1.00 0.48 O ATOM 0 H GLY B 58 -18.185 13.431 -5.821 1.00 0.67 H new ATOM 0 HA2 GLY B 58 -18.414 11.101 -7.550 1.00 0.56 H new ATOM 0 HA3 GLY B 58 -18.023 12.749 -7.997 1.00 0.56 H new ATOM 2553 N VAL B 59 -15.609 11.963 -6.274 1.00 0.52 N ATOM 2554 CA VAL B 59 -14.178 11.702 -6.275 1.00 0.52 C ATOM 2555 C VAL B 59 -13.898 10.219 -6.198 1.00 0.49 C ATOM 2556 O VAL B 59 -13.060 9.703 -6.930 1.00 0.49 O ATOM 2557 CB VAL B 59 -13.417 12.425 -5.138 1.00 0.61 C ATOM 2558 CG1 VAL B 59 -13.927 12.009 -3.765 1.00 0.65 C ATOM 2559 CG2 VAL B 59 -11.926 12.145 -5.245 1.00 0.66 C ATOM 0 H VAL B 59 -15.963 12.424 -5.436 1.00 0.52 H new ATOM 0 HA VAL B 59 -13.810 12.104 -7.219 1.00 0.52 H new ATOM 0 HB VAL B 59 -13.595 13.495 -5.250 1.00 0.61 H new ATOM 0 HG11 VAL B 59 -13.368 12.538 -2.993 1.00 0.65 H new ATOM 0 HG12 VAL B 59 -14.985 12.256 -3.680 1.00 0.65 H new ATOM 0 HG13 VAL B 59 -13.794 10.935 -3.637 1.00 0.65 H new ATOM 0 HG21 VAL B 59 -11.401 12.659 -4.440 1.00 0.66 H new ATOM 0 HG22 VAL B 59 -11.751 11.072 -5.166 1.00 0.66 H new ATOM 0 HG23 VAL B 59 -11.557 12.503 -6.206 1.00 0.66 H new ATOM 2569 N LEU B 60 -14.626 9.533 -5.341 1.00 0.48 N ATOM 2570 CA LEU B 60 -14.440 8.106 -5.172 1.00 0.46 C ATOM 2571 C LEU B 60 -14.863 7.391 -6.439 1.00 0.43 C ATOM 2572 O LEU B 60 -14.487 6.250 -6.687 1.00 0.41 O ATOM 2573 CB LEU B 60 -15.249 7.598 -3.986 1.00 0.48 C ATOM 2574 CG LEU B 60 -15.125 8.451 -2.725 1.00 0.52 C ATOM 2575 CD1 LEU B 60 -15.987 7.887 -1.614 1.00 0.51 C ATOM 2576 CD2 LEU B 60 -13.672 8.553 -2.290 1.00 0.52 C ATOM 0 H LEU B 60 -15.352 9.940 -4.751 1.00 0.48 H new ATOM 0 HA LEU B 60 -13.387 7.905 -4.977 1.00 0.46 H new ATOM 0 HB2 LEU B 60 -16.299 7.547 -4.273 1.00 0.48 H new ATOM 0 HB3 LEU B 60 -14.932 6.581 -3.755 1.00 0.48 H new ATOM 0 HG LEU B 60 -15.481 9.456 -2.951 1.00 0.52 H new ATOM 0 HD11 LEU B 60 -15.886 8.508 -0.724 1.00 0.51 H new ATOM 0 HD12 LEU B 60 -17.029 7.876 -1.932 1.00 0.51 H new ATOM 0 HD13 LEU B 60 -15.667 6.870 -1.386 1.00 0.51 H new ATOM 0 HD21 LEU B 60 -13.604 9.164 -1.390 1.00 0.52 H new ATOM 0 HD22 LEU B 60 -13.284 7.556 -2.082 1.00 0.52 H new ATOM 0 HD23 LEU B 60 -13.085 9.012 -3.086 1.00 0.52 H new ATOM 2588 N ASP B 61 -15.642 8.099 -7.239 1.00 0.46 N ATOM 2589 CA ASP B 61 -16.074 7.604 -8.534 1.00 0.46 C ATOM 2590 C ASP B 61 -14.916 7.689 -9.509 1.00 0.47 C ATOM 2591 O ASP B 61 -14.653 6.767 -10.276 1.00 0.51 O ATOM 2592 CB ASP B 61 -17.250 8.426 -9.061 1.00 0.47 C ATOM 2593 CG ASP B 61 -18.041 7.695 -10.133 1.00 0.48 C ATOM 2594 OD1 ASP B 61 -17.600 7.671 -11.305 1.00 1.22 O ATOM 2595 OD2 ASP B 61 -19.116 7.144 -9.812 1.00 1.19 O ATOM 0 H ASP B 61 -15.991 9.030 -7.010 1.00 0.46 H new ATOM 0 HA ASP B 61 -16.397 6.569 -8.428 1.00 0.46 H new ATOM 0 HB2 ASP B 61 -17.913 8.677 -8.233 1.00 0.47 H new ATOM 0 HB3 ASP B 61 -16.878 9.366 -9.467 1.00 0.47 H new ATOM 2600 N ARG B 62 -14.220 8.812 -9.448 1.00 0.47 N ATOM 2601 CA ARG B 62 -13.036 9.034 -10.256 1.00 0.51 C ATOM 2602 C ARG B 62 -11.964 8.023 -9.877 1.00 0.50 C ATOM 2603 O ARG B 62 -11.325 7.420 -10.740 1.00 0.56 O ATOM 2604 CB ARG B 62 -12.525 10.458 -10.041 1.00 0.55 C ATOM 2605 CG ARG B 62 -13.614 11.506 -10.172 1.00 0.55 C ATOM 2606 CD ARG B 62 -13.146 12.863 -9.696 1.00 0.62 C ATOM 2607 NE ARG B 62 -14.228 13.845 -9.690 1.00 1.45 N ATOM 2608 CZ ARG B 62 -14.105 15.092 -9.237 1.00 1.97 C ATOM 2609 NH1 ARG B 62 -12.935 15.533 -8.783 1.00 1.66 N ATOM 2610 NH2 ARG B 62 -15.155 15.901 -9.248 1.00 3.02 N ATOM 0 H ARG B 62 -14.460 9.593 -8.838 1.00 0.47 H new ATOM 0 HA ARG B 62 -13.284 8.907 -11.310 1.00 0.51 H new ATOM 0 HB2 ARG B 62 -12.076 10.531 -9.051 1.00 0.55 H new ATOM 0 HB3 ARG B 62 -11.737 10.668 -10.765 1.00 0.55 H new ATOM 0 HG2 ARG B 62 -13.929 11.575 -11.213 1.00 0.55 H new ATOM 0 HG3 ARG B 62 -14.486 11.199 -9.594 1.00 0.55 H new ATOM 0 HD2 ARG B 62 -12.734 12.772 -8.691 1.00 0.62 H new ATOM 0 HD3 ARG B 62 -12.341 13.215 -10.340 1.00 0.62 H new ATOM 0 HE ARG B 62 -15.136 13.557 -10.056 1.00 1.45 H new ATOM 0 HH11 ARG B 62 -12.123 14.915 -8.780 1.00 1.66 H new ATOM 0 HH12 ARG B 62 -12.849 16.489 -8.438 1.00 1.66 H new ATOM 0 HH21 ARG B 62 -16.052 15.568 -9.602 1.00 3.02 H new ATOM 0 HH22 ARG B 62 -15.066 16.857 -8.902 1.00 3.02 H new ATOM 2624 N MET B 63 -11.792 7.826 -8.571 1.00 0.45 N ATOM 2625 CA MET B 63 -10.873 6.815 -8.067 1.00 0.44 C ATOM 2626 C MET B 63 -11.315 5.457 -8.567 1.00 0.41 C ATOM 2627 O MET B 63 -10.521 4.713 -9.132 1.00 0.42 O ATOM 2628 CB MET B 63 -10.842 6.788 -6.536 1.00 0.43 C ATOM 2629 CG MET B 63 -10.784 8.163 -5.894 1.00 0.49 C ATOM 2630 SD MET B 63 -9.319 9.109 -6.365 1.00 0.63 S ATOM 2631 CE MET B 63 -8.010 8.120 -5.648 1.00 1.54 C ATOM 0 H MET B 63 -12.278 8.354 -7.846 1.00 0.45 H new ATOM 0 HA MET B 63 -9.873 7.060 -8.425 1.00 0.44 H new ATOM 0 HB2 MET B 63 -11.728 6.267 -6.174 1.00 0.43 H new ATOM 0 HB3 MET B 63 -9.977 6.210 -6.211 1.00 0.43 H new ATOM 0 HG2 MET B 63 -11.676 8.724 -6.172 1.00 0.49 H new ATOM 0 HG3 MET B 63 -10.803 8.051 -4.810 1.00 0.49 H new ATOM 0 HE1 MET B 63 -7.084 8.695 -5.638 1.00 1.54 H new ATOM 0 HE2 MET B 63 -8.278 7.846 -4.628 1.00 1.54 H new ATOM 0 HE3 MET B 63 -7.870 7.216 -6.241 1.00 1.54 H new ATOM 2641 N MET B 64 -12.598 5.163 -8.359 1.00 0.41 N ATOM 2642 CA MET B 64 -13.204 3.913 -8.798 1.00 0.42 C ATOM 2643 C MET B 64 -12.749 3.533 -10.184 1.00 0.44 C ATOM 2644 O MET B 64 -12.192 2.478 -10.381 1.00 0.41 O ATOM 2645 CB MET B 64 -14.725 4.018 -8.803 1.00 0.55 C ATOM 2646 CG MET B 64 -15.408 2.809 -9.416 1.00 0.65 C ATOM 2647 SD MET B 64 -17.140 3.113 -9.793 1.00 1.87 S ATOM 2648 CE MET B 64 -17.626 1.516 -10.434 1.00 2.41 C ATOM 0 H MET B 64 -13.245 5.789 -7.880 1.00 0.41 H new ATOM 0 HA MET B 64 -12.886 3.146 -8.092 1.00 0.42 H new ATOM 0 HB2 MET B 64 -15.077 4.145 -7.779 1.00 0.55 H new ATOM 0 HB3 MET B 64 -15.019 4.911 -9.354 1.00 0.55 H new ATOM 0 HG2 MET B 64 -14.885 2.525 -10.329 1.00 0.65 H new ATOM 0 HG3 MET B 64 -15.332 1.966 -8.730 1.00 0.65 H new ATOM 0 HE1 MET B 64 -18.704 1.502 -10.597 1.00 2.41 H new ATOM 0 HE2 MET B 64 -17.113 1.332 -11.378 1.00 2.41 H new ATOM 0 HE3 MET B 64 -17.358 0.739 -9.718 1.00 2.41 H new ATOM 2658 N LYS B 65 -12.952 4.424 -11.124 1.00 0.52 N ATOM 2659 CA LYS B 65 -12.749 4.103 -12.527 1.00 0.56 C ATOM 2660 C LYS B 65 -11.268 4.030 -12.881 1.00 0.54 C ATOM 2661 O LYS B 65 -10.888 3.391 -13.860 1.00 0.60 O ATOM 2662 CB LYS B 65 -13.468 5.139 -13.372 1.00 0.67 C ATOM 2663 CG LYS B 65 -14.914 5.304 -12.948 1.00 0.79 C ATOM 2664 CD LYS B 65 -15.751 4.097 -13.335 1.00 0.86 C ATOM 2665 CE LYS B 65 -17.197 4.265 -12.898 1.00 1.57 C ATOM 2666 NZ LYS B 65 -17.768 5.568 -13.332 1.00 2.49 N ATOM 0 H LYS B 65 -13.258 5.381 -10.948 1.00 0.52 H new ATOM 0 HA LYS B 65 -13.163 3.115 -12.731 1.00 0.56 H new ATOM 0 HB2 LYS B 65 -12.953 6.096 -13.290 1.00 0.67 H new ATOM 0 HB3 LYS B 65 -13.428 4.845 -14.421 1.00 0.67 H new ATOM 0 HG2 LYS B 65 -14.963 5.451 -11.869 1.00 0.79 H new ATOM 0 HG3 LYS B 65 -15.330 6.199 -13.411 1.00 0.79 H new ATOM 0 HD2 LYS B 65 -15.709 3.954 -14.415 1.00 0.86 H new ATOM 0 HD3 LYS B 65 -15.333 3.200 -12.878 1.00 0.86 H new ATOM 0 HE2 LYS B 65 -17.796 3.453 -13.310 1.00 1.57 H new ATOM 0 HE3 LYS B 65 -17.258 4.187 -11.812 1.00 1.57 H new ATOM 0 HZ1 LYS B 65 -18.785 5.456 -13.520 1.00 2.49 H new ATOM 0 HZ2 LYS B 65 -17.630 6.275 -12.581 1.00 2.49 H new ATOM 0 HZ3 LYS B 65 -17.289 5.886 -14.199 1.00 2.49 H new ATOM 2680 N LYS B 66 -10.441 4.685 -12.083 1.00 0.50 N ATOM 2681 CA LYS B 66 -8.998 4.610 -12.254 1.00 0.52 C ATOM 2682 C LYS B 66 -8.488 3.268 -11.747 1.00 0.48 C ATOM 2683 O LYS B 66 -7.534 2.703 -12.278 1.00 0.54 O ATOM 2684 CB LYS B 66 -8.318 5.739 -11.477 1.00 0.55 C ATOM 2685 CG LYS B 66 -6.822 5.850 -11.733 1.00 0.91 C ATOM 2686 CD LYS B 66 -6.173 6.875 -10.814 1.00 0.96 C ATOM 2687 CE LYS B 66 -5.967 6.327 -9.408 1.00 0.73 C ATOM 2688 NZ LYS B 66 -4.918 5.270 -9.377 1.00 1.47 N ATOM 0 H LYS B 66 -10.744 5.276 -11.309 1.00 0.50 H new ATOM 0 HA LYS B 66 -8.763 4.712 -13.314 1.00 0.52 H new ATOM 0 HB2 LYS B 66 -8.793 6.685 -11.739 1.00 0.55 H new ATOM 0 HB3 LYS B 66 -8.484 5.584 -10.411 1.00 0.55 H new ATOM 0 HG2 LYS B 66 -6.353 4.877 -11.583 1.00 0.91 H new ATOM 0 HG3 LYS B 66 -6.650 6.131 -12.772 1.00 0.91 H new ATOM 0 HD2 LYS B 66 -5.212 7.178 -11.230 1.00 0.96 H new ATOM 0 HD3 LYS B 66 -6.797 7.768 -10.768 1.00 0.96 H new ATOM 0 HE2 LYS B 66 -5.685 7.140 -8.738 1.00 0.73 H new ATOM 0 HE3 LYS B 66 -6.906 5.919 -9.035 1.00 0.73 H new ATOM 0 HZ1 LYS B 66 -4.636 5.089 -8.392 1.00 1.47 H new ATOM 0 HZ2 LYS B 66 -5.294 4.395 -9.796 1.00 1.47 H new ATOM 0 HZ3 LYS B 66 -4.090 5.586 -9.921 1.00 1.47 H new ATOM 2702 N LEU B 67 -9.147 2.768 -10.716 1.00 0.41 N ATOM 2703 CA LEU B 67 -8.715 1.564 -10.026 1.00 0.39 C ATOM 2704 C LEU B 67 -9.419 0.332 -10.564 1.00 0.40 C ATOM 2705 O LEU B 67 -8.817 -0.734 -10.641 1.00 0.46 O ATOM 2706 CB LEU B 67 -9.029 1.697 -8.554 1.00 0.34 C ATOM 2707 CG LEU B 67 -8.590 3.010 -7.914 1.00 0.33 C ATOM 2708 CD1 LEU B 67 -9.202 3.150 -6.536 1.00 0.30 C ATOM 2709 CD2 LEU B 67 -7.076 3.097 -7.849 1.00 0.37 C ATOM 0 H LEU B 67 -9.996 3.185 -10.334 1.00 0.41 H new ATOM 0 HA LEU B 67 -7.643 1.448 -10.186 1.00 0.39 H new ATOM 0 HB2 LEU B 67 -10.105 1.586 -8.416 1.00 0.34 H new ATOM 0 HB3 LEU B 67 -8.553 0.874 -8.021 1.00 0.34 H new ATOM 0 HG LEU B 67 -8.944 3.835 -8.532 1.00 0.33 H new ATOM 0 HD11 LEU B 67 -8.881 4.091 -6.089 1.00 0.30 H new ATOM 0 HD12 LEU B 67 -10.289 3.139 -6.618 1.00 0.30 H new ATOM 0 HD13 LEU B 67 -8.877 2.321 -5.908 1.00 0.30 H new ATOM 0 HD21 LEU B 67 -6.785 4.041 -7.389 1.00 0.37 H new ATOM 0 HD22 LEU B 67 -6.689 2.269 -7.254 1.00 0.37 H new ATOM 0 HD23 LEU B 67 -6.665 3.043 -8.857 1.00 0.37 H new ATOM 2721 N ASP B 68 -10.706 0.498 -10.889 1.00 0.39 N ATOM 2722 CA ASP B 68 -11.543 -0.557 -11.474 1.00 0.42 C ATOM 2723 C ASP B 68 -10.983 -0.932 -12.834 1.00 0.52 C ATOM 2724 O ASP B 68 -11.509 -0.579 -13.896 1.00 0.57 O ATOM 2725 CB ASP B 68 -13.006 -0.076 -11.571 1.00 0.43 C ATOM 2726 CG ASP B 68 -13.931 -1.024 -12.315 1.00 0.46 C ATOM 2727 OD1 ASP B 68 -14.022 -2.211 -11.946 1.00 1.13 O ATOM 2728 OD2 ASP B 68 -14.589 -0.571 -13.278 1.00 1.23 O ATOM 0 H ASP B 68 -11.202 1.379 -10.752 1.00 0.39 H new ATOM 0 HA ASP B 68 -11.533 -1.443 -10.840 1.00 0.42 H new ATOM 0 HB2 ASP B 68 -13.394 0.074 -10.563 1.00 0.43 H new ATOM 0 HB3 ASP B 68 -13.024 0.894 -12.067 1.00 0.43 H new ATOM 2733 N THR B 69 -9.872 -1.617 -12.765 1.00 0.58 N ATOM 2734 CA THR B 69 -9.098 -1.996 -13.916 1.00 0.74 C ATOM 2735 C THR B 69 -9.664 -3.272 -14.519 1.00 0.83 C ATOM 2736 O THR B 69 -9.460 -3.570 -15.698 1.00 0.99 O ATOM 2737 CB THR B 69 -7.623 -2.183 -13.504 1.00 0.79 C ATOM 2738 OG1 THR B 69 -6.760 -2.096 -14.648 1.00 0.91 O ATOM 2739 CG2 THR B 69 -7.415 -3.522 -12.811 1.00 0.82 C ATOM 0 H THR B 69 -9.470 -1.935 -11.883 1.00 0.58 H new ATOM 0 HA THR B 69 -9.149 -1.212 -14.671 1.00 0.74 H new ATOM 0 HB THR B 69 -7.373 -1.383 -12.807 1.00 0.79 H new ATOM 0 HG1 THR B 69 -5.829 -2.216 -14.365 1.00 0.91 H new ATOM 0 HG21 THR B 69 -6.367 -3.628 -12.531 1.00 0.82 H new ATOM 0 HG22 THR B 69 -8.036 -3.569 -11.916 1.00 0.82 H new ATOM 0 HG23 THR B 69 -7.693 -4.329 -13.488 1.00 0.82 H new ATOM 2747 N ASN B 70 -10.391 -4.014 -13.698 1.00 0.80 N ATOM 2748 CA ASN B 70 -11.103 -5.190 -14.159 1.00 0.94 C ATOM 2749 C ASN B 70 -12.409 -4.742 -14.794 1.00 0.86 C ATOM 2750 O ASN B 70 -13.075 -5.489 -15.516 1.00 0.98 O ATOM 2751 CB ASN B 70 -11.375 -6.111 -12.979 1.00 1.00 C ATOM 2752 CG ASN B 70 -11.406 -7.576 -13.365 1.00 1.25 C ATOM 2753 OD1 ASN B 70 -11.736 -7.933 -14.495 1.00 1.46 O ATOM 2754 ND2 ASN B 70 -11.066 -8.438 -12.423 1.00 1.66 N ATOM 0 H ASN B 70 -10.502 -3.819 -12.703 1.00 0.80 H new ATOM 0 HA ASN B 70 -10.509 -5.734 -14.893 1.00 0.94 H new ATOM 0 HB2 ASN B 70 -10.607 -5.957 -12.221 1.00 1.00 H new ATOM 0 HB3 ASN B 70 -12.329 -5.840 -12.526 1.00 1.00 H new ATOM 0 HD21 ASN B 70 -11.071 -9.439 -12.621 1.00 1.66 H new ATOM 0 HD22 ASN B 70 -10.798 -8.103 -11.498 1.00 1.66 H new ATOM 2761 N SER B 71 -12.735 -3.486 -14.501 1.00 0.70 N ATOM 2762 CA SER B 71 -13.841 -2.765 -15.111 1.00 0.66 C ATOM 2763 C SER B 71 -15.174 -3.469 -14.911 1.00 0.61 C ATOM 2764 O SER B 71 -16.022 -3.491 -15.807 1.00 0.66 O ATOM 2765 CB SER B 71 -13.560 -2.525 -16.592 1.00 0.82 C ATOM 2766 OG SER B 71 -12.359 -1.786 -16.753 1.00 1.48 O ATOM 0 H SER B 71 -12.223 -2.931 -13.816 1.00 0.70 H new ATOM 0 HA SER B 71 -13.923 -1.802 -14.607 1.00 0.66 H new ATOM 0 HB2 SER B 71 -13.480 -3.479 -17.113 1.00 0.82 H new ATOM 0 HB3 SER B 71 -14.391 -1.984 -17.044 1.00 0.82 H new ATOM 0 HG SER B 71 -12.088 -1.410 -15.889 1.00 1.48 H new ATOM 2772 N ASP B 72 -15.368 -4.012 -13.723 1.00 0.58 N ATOM 2773 CA ASP B 72 -16.620 -4.665 -13.395 1.00 0.65 C ATOM 2774 C ASP B 72 -17.395 -3.836 -12.383 1.00 0.56 C ATOM 2775 O ASP B 72 -18.564 -4.112 -12.107 1.00 0.66 O ATOM 2776 CB ASP B 72 -16.398 -6.091 -12.874 1.00 0.80 C ATOM 2777 CG ASP B 72 -15.699 -6.152 -11.533 1.00 0.92 C ATOM 2778 OD1 ASP B 72 -16.390 -6.092 -10.499 1.00 1.53 O ATOM 2779 OD2 ASP B 72 -14.461 -6.308 -11.510 1.00 1.56 O ATOM 0 H ASP B 72 -14.677 -4.014 -12.973 1.00 0.58 H new ATOM 0 HA ASP B 72 -17.206 -4.743 -14.311 1.00 0.65 H new ATOM 0 HB2 ASP B 72 -17.363 -6.592 -12.793 1.00 0.80 H new ATOM 0 HB3 ASP B 72 -15.810 -6.647 -13.605 1.00 0.80 H new ATOM 2784 N GLY B 73 -16.749 -2.812 -11.839 1.00 0.45 N ATOM 2785 CA GLY B 73 -17.440 -1.904 -10.945 1.00 0.46 C ATOM 2786 C GLY B 73 -17.100 -2.150 -9.498 1.00 0.41 C ATOM 2787 O GLY B 73 -17.819 -1.708 -8.597 1.00 0.44 O ATOM 0 H GLY B 73 -15.765 -2.595 -12.000 1.00 0.45 H new ATOM 0 HA2 GLY B 73 -17.184 -0.877 -11.206 1.00 0.46 H new ATOM 0 HA3 GLY B 73 -18.516 -2.009 -11.085 1.00 0.46 H new ATOM 2791 N GLN B 74 -16.009 -2.855 -9.270 1.00 0.38 N ATOM 2792 CA GLN B 74 -15.545 -3.131 -7.931 1.00 0.37 C ATOM 2793 C GLN B 74 -14.043 -2.964 -7.886 1.00 0.36 C ATOM 2794 O GLN B 74 -13.394 -2.864 -8.922 1.00 0.39 O ATOM 2795 CB GLN B 74 -15.889 -4.556 -7.502 1.00 0.38 C ATOM 2796 CG GLN B 74 -17.348 -4.943 -7.666 1.00 0.41 C ATOM 2797 CD GLN B 74 -17.643 -6.334 -7.142 1.00 0.49 C ATOM 2798 OE1 GLN B 74 -17.924 -6.433 -5.855 1.00 1.02 O flip ATOM 2799 NE2 GLN B 74 -17.602 -7.317 -7.880 1.00 1.25 N flip ATOM 0 H GLN B 74 -15.424 -3.250 -10.006 1.00 0.38 H new ATOM 0 HA GLN B 74 -16.037 -2.435 -7.251 1.00 0.37 H new ATOM 0 HB2 GLN B 74 -15.278 -5.250 -8.079 1.00 0.38 H new ATOM 0 HB3 GLN B 74 -15.611 -4.681 -6.455 1.00 0.38 H new ATOM 0 HG2 GLN B 74 -17.973 -4.221 -7.141 1.00 0.41 H new ATOM 0 HG3 GLN B 74 -17.618 -4.891 -8.721 1.00 0.41 H new ATOM 0 HE21 GLN B 74 -17.382 -7.203 -8.869 1.00 1.25 H new ATOM 0 HE22 GLN B 74 -17.788 -8.246 -7.503 1.00 1.25 H new ATOM 2808 N LEU B 75 -13.498 -2.932 -6.690 1.00 0.33 N ATOM 2809 CA LEU B 75 -12.063 -2.856 -6.528 1.00 0.31 C ATOM 2810 C LEU B 75 -11.538 -4.083 -5.833 1.00 0.32 C ATOM 2811 O LEU B 75 -11.839 -4.332 -4.665 1.00 0.32 O ATOM 2812 CB LEU B 75 -11.659 -1.608 -5.756 1.00 0.31 C ATOM 2813 CG LEU B 75 -12.125 -0.307 -6.395 1.00 0.32 C ATOM 2814 CD1 LEU B 75 -11.642 0.887 -5.594 1.00 0.35 C ATOM 2815 CD2 LEU B 75 -11.633 -0.241 -7.834 1.00 0.35 C ATOM 0 H LEU B 75 -14.025 -2.957 -5.817 1.00 0.33 H new ATOM 0 HA LEU B 75 -11.624 -2.800 -7.524 1.00 0.31 H new ATOM 0 HB2 LEU B 75 -12.065 -1.671 -4.746 1.00 0.31 H new ATOM 0 HB3 LEU B 75 -10.573 -1.587 -5.663 1.00 0.31 H new ATOM 0 HG LEU B 75 -13.215 -0.279 -6.398 1.00 0.32 H new ATOM 0 HD11 LEU B 75 -11.986 1.806 -6.068 1.00 0.35 H new ATOM 0 HD12 LEU B 75 -12.040 0.830 -4.581 1.00 0.35 H new ATOM 0 HD13 LEU B 75 -10.553 0.884 -5.557 1.00 0.35 H new ATOM 0 HD21 LEU B 75 -11.967 0.691 -8.290 1.00 0.35 H new ATOM 0 HD22 LEU B 75 -10.544 -0.282 -7.848 1.00 0.35 H new ATOM 0 HD23 LEU B 75 -12.035 -1.085 -8.395 1.00 0.35 H new ATOM 2827 N ASP B 76 -10.785 -4.863 -6.576 1.00 0.35 N ATOM 2828 CA ASP B 76 -10.098 -6.009 -6.020 1.00 0.36 C ATOM 2829 C ASP B 76 -8.865 -5.515 -5.282 1.00 0.33 C ATOM 2830 O ASP B 76 -8.582 -4.319 -5.292 1.00 0.32 O ATOM 2831 CB ASP B 76 -9.757 -7.015 -7.130 1.00 0.44 C ATOM 2832 CG ASP B 76 -8.265 -7.186 -7.363 1.00 0.91 C ATOM 2833 OD1 ASP B 76 -7.666 -6.357 -8.068 1.00 1.68 O ATOM 2834 OD2 ASP B 76 -7.684 -8.156 -6.828 1.00 1.44 O ATOM 0 H ASP B 76 -10.632 -4.723 -7.575 1.00 0.35 H new ATOM 0 HA ASP B 76 -10.736 -6.537 -5.311 1.00 0.36 H new ATOM 0 HB2 ASP B 76 -10.189 -7.983 -6.876 1.00 0.44 H new ATOM 0 HB3 ASP B 76 -10.226 -6.690 -8.059 1.00 0.44 H new ATOM 2839 N PHE B 77 -8.144 -6.413 -4.636 1.00 0.40 N ATOM 2840 CA PHE B 77 -7.053 -6.015 -3.767 1.00 0.49 C ATOM 2841 C PHE B 77 -6.034 -5.168 -4.514 1.00 0.39 C ATOM 2842 O PHE B 77 -5.667 -4.100 -4.047 1.00 0.38 O ATOM 2843 CB PHE B 77 -6.390 -7.238 -3.152 1.00 0.72 C ATOM 2844 CG PHE B 77 -5.614 -6.924 -1.906 1.00 1.75 C ATOM 2845 CD1 PHE B 77 -6.185 -6.171 -0.892 1.00 2.56 C ATOM 2846 CD2 PHE B 77 -4.321 -7.376 -1.746 1.00 2.66 C ATOM 2847 CE1 PHE B 77 -5.479 -5.878 0.256 1.00 3.67 C ATOM 2848 CE2 PHE B 77 -3.610 -7.087 -0.600 1.00 3.77 C ATOM 2849 CZ PHE B 77 -4.189 -6.337 0.402 1.00 4.14 C ATOM 0 H PHE B 77 -8.294 -7.420 -4.697 1.00 0.40 H new ATOM 0 HA PHE B 77 -7.467 -5.405 -2.964 1.00 0.49 H new ATOM 0 HB2 PHE B 77 -7.154 -7.980 -2.920 1.00 0.72 H new ATOM 0 HB3 PHE B 77 -5.721 -7.689 -3.885 1.00 0.72 H new ATOM 0 HD1 PHE B 77 -7.196 -5.809 -1.002 1.00 2.56 H new ATOM 0 HD2 PHE B 77 -3.860 -7.963 -2.527 1.00 2.66 H new ATOM 0 HE1 PHE B 77 -5.937 -5.290 1.038 1.00 3.67 H new ATOM 0 HE2 PHE B 77 -2.599 -7.449 -0.487 1.00 3.77 H new ATOM 0 HZ PHE B 77 -3.632 -6.110 1.299 1.00 4.14 H new ATOM 2859 N SER B 78 -5.608 -5.618 -5.688 1.00 0.38 N ATOM 2860 CA SER B 78 -4.627 -4.870 -6.465 1.00 0.38 C ATOM 2861 C SER B 78 -5.196 -3.521 -6.904 1.00 0.38 C ATOM 2862 O SER B 78 -4.465 -2.539 -7.023 1.00 0.44 O ATOM 2863 CB SER B 78 -4.151 -5.679 -7.681 1.00 0.44 C ATOM 2864 OG SER B 78 -5.206 -5.984 -8.581 1.00 1.32 O ATOM 0 H SER B 78 -5.922 -6.487 -6.119 1.00 0.38 H new ATOM 0 HA SER B 78 -3.764 -4.686 -5.825 1.00 0.38 H new ATOM 0 HB2 SER B 78 -3.380 -5.116 -8.208 1.00 0.44 H new ATOM 0 HB3 SER B 78 -3.691 -6.606 -7.339 1.00 0.44 H new ATOM 0 HG SER B 78 -5.989 -6.289 -8.076 1.00 1.32 H new ATOM 2870 N GLU B 79 -6.506 -3.471 -7.102 1.00 0.36 N ATOM 2871 CA GLU B 79 -7.169 -2.252 -7.543 1.00 0.42 C ATOM 2872 C GLU B 79 -7.300 -1.268 -6.381 1.00 0.33 C ATOM 2873 O GLU B 79 -7.044 -0.072 -6.527 1.00 0.33 O ATOM 2874 CB GLU B 79 -8.539 -2.595 -8.133 1.00 0.51 C ATOM 2875 CG GLU B 79 -8.451 -3.592 -9.279 1.00 0.64 C ATOM 2876 CD GLU B 79 -9.799 -3.981 -9.856 1.00 1.81 C ATOM 2877 OE1 GLU B 79 -10.523 -4.760 -9.206 1.00 2.57 O ATOM 2878 OE2 GLU B 79 -10.112 -3.557 -10.981 1.00 2.54 O ATOM 0 H GLU B 79 -7.133 -4.264 -6.964 1.00 0.36 H new ATOM 0 HA GLU B 79 -6.568 -1.775 -8.318 1.00 0.42 H new ATOM 0 HB2 GLU B 79 -9.176 -3.004 -7.349 1.00 0.51 H new ATOM 0 HB3 GLU B 79 -9.017 -1.682 -8.487 1.00 0.51 H new ATOM 0 HG2 GLU B 79 -7.836 -3.167 -10.072 1.00 0.64 H new ATOM 0 HG3 GLU B 79 -7.943 -4.491 -8.929 1.00 0.64 H new ATOM 2885 N PHE B 80 -7.662 -1.788 -5.215 1.00 0.28 N ATOM 2886 CA PHE B 80 -7.797 -0.968 -4.019 1.00 0.25 C ATOM 2887 C PHE B 80 -6.413 -0.590 -3.483 1.00 0.23 C ATOM 2888 O PHE B 80 -6.256 0.412 -2.796 1.00 0.26 O ATOM 2889 CB PHE B 80 -8.623 -1.715 -2.962 1.00 0.31 C ATOM 2890 CG PHE B 80 -9.037 -0.878 -1.783 1.00 0.71 C ATOM 2891 CD1 PHE B 80 -10.156 -0.064 -1.856 1.00 1.26 C ATOM 2892 CD2 PHE B 80 -8.317 -0.916 -0.599 1.00 1.60 C ATOM 2893 CE1 PHE B 80 -10.549 0.696 -0.770 1.00 1.56 C ATOM 2894 CE2 PHE B 80 -8.703 -0.157 0.488 1.00 1.98 C ATOM 2895 CZ PHE B 80 -9.821 0.650 0.404 1.00 1.64 C ATOM 0 H PHE B 80 -7.868 -2.777 -5.073 1.00 0.28 H new ATOM 0 HA PHE B 80 -8.323 -0.047 -4.268 1.00 0.25 H new ATOM 0 HB2 PHE B 80 -9.518 -2.117 -3.437 1.00 0.31 H new ATOM 0 HB3 PHE B 80 -8.044 -2.565 -2.602 1.00 0.31 H new ATOM 0 HD1 PHE B 80 -10.728 -0.023 -2.771 1.00 1.26 H new ATOM 0 HD2 PHE B 80 -7.444 -1.547 -0.526 1.00 1.60 H new ATOM 0 HE1 PHE B 80 -11.424 1.325 -0.839 1.00 1.56 H new ATOM 0 HE2 PHE B 80 -8.131 -0.194 1.403 1.00 1.98 H new ATOM 0 HZ PHE B 80 -10.125 1.243 1.253 1.00 1.64 H new ATOM 2905 N LEU B 81 -5.407 -1.390 -3.816 1.00 0.25 N ATOM 2906 CA LEU B 81 -4.029 -1.062 -3.462 1.00 0.26 C ATOM 2907 C LEU B 81 -3.475 0.004 -4.382 1.00 0.26 C ATOM 2908 O LEU B 81 -2.672 0.837 -3.967 1.00 0.27 O ATOM 2909 CB LEU B 81 -3.129 -2.286 -3.520 1.00 0.29 C ATOM 2910 CG LEU B 81 -3.403 -3.350 -2.460 1.00 0.28 C ATOM 2911 CD1 LEU B 81 -2.356 -4.440 -2.539 1.00 0.33 C ATOM 2912 CD2 LEU B 81 -3.443 -2.727 -1.067 1.00 0.29 C ATOM 0 H LEU B 81 -5.517 -2.266 -4.328 1.00 0.25 H new ATOM 0 HA LEU B 81 -4.045 -0.687 -2.439 1.00 0.26 H new ATOM 0 HB2 LEU B 81 -3.229 -2.743 -4.504 1.00 0.29 H new ATOM 0 HB3 LEU B 81 -2.093 -1.960 -3.424 1.00 0.29 H new ATOM 0 HG LEU B 81 -4.379 -3.795 -2.652 1.00 0.28 H new ATOM 0 HD11 LEU B 81 -2.559 -5.195 -1.779 1.00 0.33 H new ATOM 0 HD12 LEU B 81 -2.385 -4.901 -3.526 1.00 0.33 H new ATOM 0 HD13 LEU B 81 -1.369 -4.010 -2.368 1.00 0.33 H new ATOM 0 HD21 LEU B 81 -3.640 -3.503 -0.327 1.00 0.29 H new ATOM 0 HD22 LEU B 81 -2.484 -2.255 -0.852 1.00 0.29 H new ATOM 0 HD23 LEU B 81 -4.234 -1.978 -1.026 1.00 0.29 H new ATOM 2924 N ASN B 82 -3.893 -0.035 -5.638 1.00 0.26 N ATOM 2925 CA ASN B 82 -3.570 1.030 -6.574 1.00 0.26 C ATOM 2926 C ASN B 82 -4.060 2.354 -6.014 1.00 0.23 C ATOM 2927 O ASN B 82 -3.436 3.404 -6.185 1.00 0.24 O ATOM 2928 CB ASN B 82 -4.220 0.775 -7.931 1.00 0.30 C ATOM 2929 CG ASN B 82 -3.264 0.177 -8.946 1.00 0.78 C ATOM 2930 OD1 ASN B 82 -2.605 0.901 -9.693 1.00 1.50 O ATOM 2931 ND2 ASN B 82 -3.187 -1.144 -8.988 1.00 1.42 N ATOM 0 H ASN B 82 -4.455 -0.790 -6.031 1.00 0.26 H new ATOM 0 HA ASN B 82 -2.489 1.061 -6.711 1.00 0.26 H new ATOM 0 HB2 ASN B 82 -5.068 0.103 -7.800 1.00 0.30 H new ATOM 0 HB3 ASN B 82 -4.614 1.714 -8.321 1.00 0.30 H new ATOM 0 HD21 ASN B 82 -2.565 -1.598 -9.657 1.00 1.42 H new ATOM 0 HD22 ASN B 82 -3.750 -1.708 -8.352 1.00 1.42 H new ATOM 2938 N LEU B 83 -5.200 2.277 -5.348 1.00 0.23 N ATOM 2939 CA LEU B 83 -5.744 3.395 -4.610 1.00 0.24 C ATOM 2940 C LEU B 83 -4.777 3.848 -3.533 1.00 0.23 C ATOM 2941 O LEU B 83 -4.438 5.025 -3.452 1.00 0.25 O ATOM 2942 CB LEU B 83 -7.055 2.985 -3.971 1.00 0.27 C ATOM 2943 CG LEU B 83 -7.541 3.905 -2.865 1.00 0.31 C ATOM 2944 CD1 LEU B 83 -7.988 5.242 -3.432 1.00 0.35 C ATOM 2945 CD2 LEU B 83 -8.649 3.243 -2.076 1.00 0.36 C ATOM 0 H LEU B 83 -5.772 1.434 -5.306 1.00 0.23 H new ATOM 0 HA LEU B 83 -5.909 4.222 -5.300 1.00 0.24 H new ATOM 0 HB2 LEU B 83 -7.820 2.936 -4.745 1.00 0.27 H new ATOM 0 HB3 LEU B 83 -6.946 1.979 -3.566 1.00 0.27 H new ATOM 0 HG LEU B 83 -6.712 4.097 -2.184 1.00 0.31 H new ATOM 0 HD11 LEU B 83 -8.332 5.884 -2.621 1.00 0.35 H new ATOM 0 HD12 LEU B 83 -7.151 5.719 -3.943 1.00 0.35 H new ATOM 0 HD13 LEU B 83 -8.802 5.083 -4.139 1.00 0.35 H new ATOM 0 HD21 LEU B 83 -8.986 3.916 -1.287 1.00 0.36 H new ATOM 0 HD22 LEU B 83 -9.483 3.016 -2.740 1.00 0.36 H new ATOM 0 HD23 LEU B 83 -8.277 2.320 -1.631 1.00 0.36 H new ATOM 2957 N ILE B 84 -4.347 2.900 -2.711 1.00 0.24 N ATOM 2958 CA ILE B 84 -3.374 3.161 -1.658 1.00 0.26 C ATOM 2959 C ILE B 84 -2.132 3.842 -2.227 1.00 0.27 C ATOM 2960 O ILE B 84 -1.523 4.683 -1.570 1.00 0.29 O ATOM 2961 CB ILE B 84 -3.008 1.851 -0.915 1.00 0.29 C ATOM 2962 CG1 ILE B 84 -3.902 1.668 0.314 1.00 0.55 C ATOM 2963 CG2 ILE B 84 -1.538 1.818 -0.504 1.00 0.47 C ATOM 2964 CD1 ILE B 84 -5.371 1.501 -0.005 1.00 0.62 C ATOM 0 H ILE B 84 -4.662 1.931 -2.755 1.00 0.24 H new ATOM 0 HA ILE B 84 -3.823 3.841 -0.934 1.00 0.26 H new ATOM 0 HB ILE B 84 -3.175 1.027 -1.609 1.00 0.29 H new ATOM 0 HG12 ILE B 84 -3.561 0.795 0.870 1.00 0.55 H new ATOM 0 HG13 ILE B 84 -3.780 2.530 0.969 1.00 0.55 H new ATOM 0 HG21 ILE B 84 -1.326 0.882 0.013 1.00 0.47 H new ATOM 0 HG22 ILE B 84 -0.910 1.892 -1.392 1.00 0.47 H new ATOM 0 HG23 ILE B 84 -1.327 2.656 0.160 1.00 0.47 H new ATOM 0 HD11 ILE B 84 -5.933 1.377 0.921 1.00 0.62 H new ATOM 0 HD12 ILE B 84 -5.731 2.384 -0.533 1.00 0.62 H new ATOM 0 HD13 ILE B 84 -5.509 0.621 -0.633 1.00 0.62 H new ATOM 2976 N GLY B 85 -1.787 3.497 -3.459 1.00 0.26 N ATOM 2977 CA GLY B 85 -0.706 4.167 -4.146 1.00 0.29 C ATOM 2978 C GLY B 85 -0.958 5.655 -4.277 1.00 0.28 C ATOM 2979 O GLY B 85 -0.129 6.464 -3.874 1.00 0.32 O ATOM 0 H GLY B 85 -2.241 2.759 -3.997 1.00 0.26 H new ATOM 0 HA2 GLY B 85 0.226 4.003 -3.605 1.00 0.29 H new ATOM 0 HA3 GLY B 85 -0.580 3.731 -5.137 1.00 0.29 H new ATOM 2983 N GLY B 86 -2.131 6.017 -4.788 1.00 0.27 N ATOM 2984 CA GLY B 86 -2.441 7.419 -5.015 1.00 0.30 C ATOM 2985 C GLY B 86 -2.714 8.146 -3.718 1.00 0.29 C ATOM 2986 O GLY B 86 -2.475 9.350 -3.595 1.00 0.34 O ATOM 0 H GLY B 86 -2.872 5.366 -5.049 1.00 0.27 H new ATOM 0 HA2 GLY B 86 -1.609 7.897 -5.532 1.00 0.30 H new ATOM 0 HA3 GLY B 86 -3.310 7.499 -5.667 1.00 0.30 H new ATOM 2990 N LEU B 87 -3.209 7.392 -2.752 1.00 0.25 N ATOM 2991 CA LEU B 87 -3.491 7.893 -1.418 1.00 0.25 C ATOM 2992 C LEU B 87 -2.203 8.251 -0.713 1.00 0.26 C ATOM 2993 O LEU B 87 -1.997 9.389 -0.289 1.00 0.29 O ATOM 2994 CB LEU B 87 -4.191 6.814 -0.607 1.00 0.25 C ATOM 2995 CG LEU B 87 -5.654 6.560 -0.936 1.00 0.26 C ATOM 2996 CD1 LEU B 87 -6.127 5.328 -0.194 1.00 0.26 C ATOM 2997 CD2 LEU B 87 -6.506 7.761 -0.565 1.00 0.35 C ATOM 0 H LEU B 87 -3.429 6.403 -2.873 1.00 0.25 H new ATOM 0 HA LEU B 87 -4.124 8.776 -1.506 1.00 0.25 H new ATOM 0 HB2 LEU B 87 -3.645 5.880 -0.738 1.00 0.25 H new ATOM 0 HB3 LEU B 87 -4.120 7.080 0.448 1.00 0.25 H new ATOM 0 HG LEU B 87 -5.754 6.397 -2.009 1.00 0.26 H new ATOM 0 HD11 LEU B 87 -7.175 5.143 -0.427 1.00 0.26 H new ATOM 0 HD12 LEU B 87 -5.530 4.468 -0.499 1.00 0.26 H new ATOM 0 HD13 LEU B 87 -6.016 5.485 0.879 1.00 0.26 H new ATOM 0 HD21 LEU B 87 -7.549 7.557 -0.809 1.00 0.35 H new ATOM 0 HD22 LEU B 87 -6.415 7.956 0.504 1.00 0.35 H new ATOM 0 HD23 LEU B 87 -6.167 8.634 -1.123 1.00 0.35 H new ATOM 3009 N ALA B 88 -1.339 7.254 -0.598 1.00 0.25 N ATOM 3010 CA ALA B 88 -0.070 7.406 0.076 1.00 0.27 C ATOM 3011 C ALA B 88 0.725 8.519 -0.542 1.00 0.29 C ATOM 3012 O ALA B 88 1.351 9.308 0.152 1.00 0.35 O ATOM 3013 CB ALA B 88 0.731 6.126 0.003 1.00 0.26 C ATOM 0 H ALA B 88 -1.503 6.319 -0.971 1.00 0.25 H new ATOM 0 HA ALA B 88 -0.274 7.643 1.120 1.00 0.27 H new ATOM 0 HB1 ALA B 88 1.683 6.263 0.517 1.00 0.26 H new ATOM 0 HB2 ALA B 88 0.173 5.320 0.480 1.00 0.26 H new ATOM 0 HB3 ALA B 88 0.915 5.871 -1.041 1.00 0.26 H new ATOM 3019 N MET B 89 0.693 8.565 -1.857 1.00 0.29 N ATOM 3020 CA MET B 89 1.421 9.565 -2.599 1.00 0.32 C ATOM 3021 C MET B 89 0.954 10.967 -2.246 1.00 0.34 C ATOM 3022 O MET B 89 1.767 11.881 -2.114 1.00 0.39 O ATOM 3023 CB MET B 89 1.276 9.313 -4.092 1.00 0.34 C ATOM 3024 CG MET B 89 2.121 8.155 -4.579 1.00 0.42 C ATOM 3025 SD MET B 89 2.340 8.168 -6.371 1.00 1.03 S ATOM 3026 CE MET B 89 0.644 8.066 -6.935 1.00 1.89 C ATOM 0 H MET B 89 0.164 7.913 -2.436 1.00 0.29 H new ATOM 0 HA MET B 89 2.474 9.491 -2.327 1.00 0.32 H new ATOM 0 HB2 MET B 89 0.229 9.114 -4.322 1.00 0.34 H new ATOM 0 HB3 MET B 89 1.556 10.215 -4.636 1.00 0.34 H new ATOM 0 HG2 MET B 89 3.097 8.193 -4.096 1.00 0.42 H new ATOM 0 HG3 MET B 89 1.654 7.217 -4.280 1.00 0.42 H new ATOM 0 HE1 MET B 89 0.627 7.975 -8.021 1.00 1.89 H new ATOM 0 HE2 MET B 89 0.164 7.194 -6.490 1.00 1.89 H new ATOM 0 HE3 MET B 89 0.107 8.967 -6.638 1.00 1.89 H new ATOM 3036 N ALA B 90 -0.349 11.120 -2.058 1.00 0.34 N ATOM 3037 CA ALA B 90 -0.933 12.416 -1.745 1.00 0.39 C ATOM 3038 C ALA B 90 -0.484 12.905 -0.370 1.00 0.42 C ATOM 3039 O ALA B 90 -0.303 14.102 -0.149 1.00 0.49 O ATOM 3040 CB ALA B 90 -2.449 12.339 -1.822 1.00 0.46 C ATOM 0 H ALA B 90 -1.025 10.358 -2.117 1.00 0.34 H new ATOM 0 HA ALA B 90 -0.582 13.137 -2.483 1.00 0.39 H new ATOM 0 HB1 ALA B 90 -2.875 13.314 -1.586 1.00 0.46 H new ATOM 0 HB2 ALA B 90 -2.748 12.046 -2.829 1.00 0.46 H new ATOM 0 HB3 ALA B 90 -2.813 11.601 -1.107 1.00 0.46 H new ATOM 3046 N CYS B 91 -0.292 11.974 0.547 1.00 0.41 N ATOM 3047 CA CYS B 91 0.158 12.306 1.886 1.00 0.47 C ATOM 3048 C CYS B 91 1.677 12.420 1.904 1.00 0.44 C ATOM 3049 O CYS B 91 2.244 13.187 2.674 1.00 0.51 O ATOM 3050 CB CYS B 91 -0.323 11.253 2.893 1.00 0.55 C ATOM 3051 SG CYS B 91 -0.011 11.679 4.621 1.00 1.76 S ATOM 0 H CYS B 91 -0.442 10.978 0.387 1.00 0.41 H new ATOM 0 HA CYS B 91 -0.269 13.266 2.177 1.00 0.47 H new ATOM 0 HB2 CYS B 91 -1.393 11.099 2.757 1.00 0.55 H new ATOM 0 HB3 CYS B 91 0.166 10.305 2.671 1.00 0.55 H new ATOM 0 HG CYS B 91 -0.455 10.729 5.389 1.00 1.76 H new ATOM 3057 N HIS B 92 2.328 11.653 1.038 1.00 0.41 N ATOM 3058 CA HIS B 92 3.772 11.725 0.870 1.00 0.46 C ATOM 3059 C HIS B 92 4.169 13.098 0.370 1.00 0.45 C ATOM 3060 O HIS B 92 5.041 13.739 0.945 1.00 0.49 O ATOM 3061 CB HIS B 92 4.260 10.648 -0.110 1.00 0.54 C ATOM 3062 CG HIS B 92 5.711 10.763 -0.501 1.00 1.21 C ATOM 3063 ND1 HIS B 92 6.732 10.118 0.168 1.00 2.12 N ATOM 3064 CD2 HIS B 92 6.305 11.444 -1.512 1.00 1.96 C ATOM 3065 CE1 HIS B 92 7.885 10.399 -0.417 1.00 2.74 C ATOM 3066 NE2 HIS B 92 7.650 11.199 -1.436 1.00 2.62 N ATOM 0 H HIS B 92 1.872 10.968 0.436 1.00 0.41 H new ATOM 0 HA HIS B 92 4.240 11.548 1.838 1.00 0.46 H new ATOM 0 HB2 HIS B 92 4.095 9.668 0.337 1.00 0.54 H new ATOM 0 HB3 HIS B 92 3.650 10.694 -1.012 1.00 0.54 H new ATOM 0 HD2 HIS B 92 5.809 12.065 -2.243 1.00 1.96 H new ATOM 0 HE1 HIS B 92 8.854 10.034 -0.111 1.00 2.74 H new ATOM 0 HE2 HIS B 92 8.357 11.576 -2.068 1.00 2.62 H new ATOM 3075 N ASP B 93 3.531 13.545 -0.703 1.00 0.45 N ATOM 3076 CA ASP B 93 3.851 14.836 -1.267 1.00 0.52 C ATOM 3077 C ASP B 93 3.555 15.931 -0.262 1.00 0.56 C ATOM 3078 O ASP B 93 4.351 16.845 -0.072 1.00 0.65 O ATOM 3079 CB ASP B 93 3.105 15.076 -2.581 1.00 0.54 C ATOM 3080 CG ASP B 93 1.612 15.324 -2.467 1.00 0.92 C ATOM 3081 OD1 ASP B 93 1.215 16.422 -2.015 1.00 1.48 O ATOM 3082 OD2 ASP B 93 0.829 14.456 -2.895 1.00 1.74 O ATOM 0 H ASP B 93 2.796 13.034 -1.192 1.00 0.45 H new ATOM 0 HA ASP B 93 4.916 14.853 -1.496 1.00 0.52 H new ATOM 0 HB2 ASP B 93 3.558 15.932 -3.081 1.00 0.54 H new ATOM 0 HB3 ASP B 93 3.261 14.212 -3.226 1.00 0.54 H new ATOM 3087 N SER B 94 2.414 15.810 0.385 1.00 0.54 N ATOM 3088 CA SER B 94 2.053 16.691 1.494 1.00 0.60 C ATOM 3089 C SER B 94 3.165 16.735 2.536 1.00 0.63 C ATOM 3090 O SER B 94 3.616 17.803 2.924 1.00 0.70 O ATOM 3091 CB SER B 94 0.764 16.217 2.155 1.00 0.65 C ATOM 3092 OG SER B 94 -0.335 16.318 1.266 1.00 1.26 O ATOM 0 H SER B 94 1.710 15.105 0.165 1.00 0.54 H new ATOM 0 HA SER B 94 1.905 17.692 1.089 1.00 0.60 H new ATOM 0 HB2 SER B 94 0.878 15.183 2.480 1.00 0.65 H new ATOM 0 HB3 SER B 94 0.569 16.812 3.047 1.00 0.65 H new ATOM 0 HG SER B 94 -0.616 15.421 0.990 1.00 1.26 H new ATOM 3098 N PHE B 95 3.601 15.559 2.964 1.00 0.60 N ATOM 3099 CA PHE B 95 4.651 15.421 3.965 1.00 0.67 C ATOM 3100 C PHE B 95 5.930 16.106 3.497 1.00 0.73 C ATOM 3101 O PHE B 95 6.622 16.756 4.275 1.00 0.84 O ATOM 3102 CB PHE B 95 4.900 13.931 4.220 1.00 0.64 C ATOM 3103 CG PHE B 95 5.914 13.637 5.286 1.00 0.78 C ATOM 3104 CD1 PHE B 95 5.713 14.059 6.589 1.00 1.80 C ATOM 3105 CD2 PHE B 95 7.064 12.924 4.985 1.00 1.29 C ATOM 3106 CE1 PHE B 95 6.641 13.780 7.572 1.00 2.35 C ATOM 3107 CE2 PHE B 95 7.994 12.638 5.966 1.00 1.76 C ATOM 3108 CZ PHE B 95 7.783 13.067 7.260 1.00 2.07 C ATOM 0 H PHE B 95 3.235 14.669 2.626 1.00 0.60 H new ATOM 0 HA PHE B 95 4.336 15.901 4.892 1.00 0.67 H new ATOM 0 HB2 PHE B 95 3.956 13.461 4.496 1.00 0.64 H new ATOM 0 HB3 PHE B 95 5.227 13.467 3.289 1.00 0.64 H new ATOM 0 HD1 PHE B 95 4.820 14.613 6.839 1.00 1.80 H new ATOM 0 HD2 PHE B 95 7.235 12.588 3.973 1.00 1.29 H new ATOM 0 HE1 PHE B 95 6.475 14.119 8.584 1.00 2.35 H new ATOM 0 HE2 PHE B 95 8.885 12.079 5.720 1.00 1.76 H new ATOM 0 HZ PHE B 95 8.509 12.846 8.028 1.00 2.07 H new ATOM 3118 N LEU B 96 6.215 15.966 2.213 1.00 0.69 N ATOM 3119 CA LEU B 96 7.393 16.565 1.603 1.00 0.81 C ATOM 3120 C LEU B 96 7.270 18.085 1.552 1.00 0.91 C ATOM 3121 O LEU B 96 8.213 18.810 1.872 1.00 1.09 O ATOM 3122 CB LEU B 96 7.587 16.001 0.189 1.00 0.83 C ATOM 3123 CG LEU B 96 8.469 14.751 0.076 1.00 0.87 C ATOM 3124 CD1 LEU B 96 9.935 15.112 0.228 1.00 1.22 C ATOM 3125 CD2 LEU B 96 8.079 13.708 1.111 1.00 1.08 C ATOM 0 H LEU B 96 5.637 15.434 1.563 1.00 0.69 H new ATOM 0 HA LEU B 96 8.262 16.318 2.213 1.00 0.81 H new ATOM 0 HB2 LEU B 96 6.606 15.767 -0.225 1.00 0.83 H new ATOM 0 HB3 LEU B 96 8.018 16.783 -0.436 1.00 0.83 H new ATOM 0 HG LEU B 96 8.313 14.326 -0.915 1.00 0.87 H new ATOM 0 HD11 LEU B 96 10.542 14.211 0.145 1.00 1.22 H new ATOM 0 HD12 LEU B 96 10.220 15.815 -0.555 1.00 1.22 H new ATOM 0 HD13 LEU B 96 10.098 15.570 1.204 1.00 1.22 H new ATOM 0 HD21 LEU B 96 8.721 12.834 1.006 1.00 1.08 H new ATOM 0 HD22 LEU B 96 8.195 14.126 2.111 1.00 1.08 H new ATOM 0 HD23 LEU B 96 7.040 13.415 0.959 1.00 1.08 H new ATOM 3137 N LYS B 97 6.099 18.554 1.155 1.00 0.83 N ATOM 3138 CA LYS B 97 5.831 19.983 1.042 1.00 0.94 C ATOM 3139 C LYS B 97 5.607 20.619 2.413 1.00 0.98 C ATOM 3140 O LYS B 97 5.660 21.841 2.563 1.00 1.14 O ATOM 3141 CB LYS B 97 4.616 20.205 0.142 1.00 0.94 C ATOM 3142 CG LYS B 97 4.904 19.949 -1.333 1.00 0.99 C ATOM 3143 CD LYS B 97 3.788 19.166 -2.010 1.00 1.25 C ATOM 3144 CE LYS B 97 2.436 19.831 -1.829 1.00 2.06 C ATOM 3145 NZ LYS B 97 1.350 19.074 -2.509 1.00 2.65 N ATOM 0 H LYS B 97 5.309 17.960 0.902 1.00 0.83 H new ATOM 0 HA LYS B 97 6.703 20.464 0.598 1.00 0.94 H new ATOM 0 HB2 LYS B 97 3.808 19.550 0.466 1.00 0.94 H new ATOM 0 HB3 LYS B 97 4.264 21.229 0.264 1.00 0.94 H new ATOM 0 HG2 LYS B 97 5.040 20.901 -1.845 1.00 0.99 H new ATOM 0 HG3 LYS B 97 5.840 19.399 -1.428 1.00 0.99 H new ATOM 0 HD2 LYS B 97 4.006 19.071 -3.074 1.00 1.25 H new ATOM 0 HD3 LYS B 97 3.753 18.157 -1.600 1.00 1.25 H new ATOM 0 HE2 LYS B 97 2.211 19.912 -0.766 1.00 2.06 H new ATOM 0 HE3 LYS B 97 2.474 20.846 -2.225 1.00 2.06 H new ATOM 0 HZ1 LYS B 97 0.478 19.641 -2.508 1.00 2.65 H new ATOM 0 HZ2 LYS B 97 1.630 18.871 -3.490 1.00 2.65 H new ATOM 0 HZ3 LYS B 97 1.182 18.180 -2.005 1.00 2.65 H new ATOM 3159 N ALA B 98 5.354 19.783 3.409 1.00 0.99 N ATOM 3160 CA ALA B 98 5.132 20.253 4.766 1.00 1.07 C ATOM 3161 C ALA B 98 6.432 20.255 5.562 1.00 1.10 C ATOM 3162 O ALA B 98 6.952 21.317 5.912 1.00 1.24 O ATOM 3163 CB ALA B 98 4.085 19.398 5.461 1.00 1.01 C ATOM 0 H ALA B 98 5.297 18.770 3.301 1.00 0.99 H new ATOM 0 HA ALA B 98 4.765 21.278 4.713 1.00 1.07 H new ATOM 0 HB1 ALA B 98 3.931 19.764 6.476 1.00 1.01 H new ATOM 0 HB2 ALA B 98 3.146 19.453 4.910 1.00 1.01 H new ATOM 0 HB3 ALA B 98 4.425 18.363 5.496 1.00 1.01 H new ATOM 3169 N VAL B 99 6.956 19.063 5.828 1.00 1.01 N ATOM 3170 CA VAL B 99 8.183 18.899 6.597 1.00 1.07 C ATOM 3171 C VAL B 99 8.543 17.414 6.712 1.00 1.01 C ATOM 3172 O VAL B 99 8.114 16.707 7.624 1.00 1.02 O ATOM 3173 CB VAL B 99 8.090 19.553 8.001 1.00 1.17 C ATOM 3174 CG1 VAL B 99 6.894 19.034 8.789 1.00 1.14 C ATOM 3175 CG2 VAL B 99 9.385 19.344 8.772 1.00 1.25 C ATOM 0 H VAL B 99 6.542 18.184 5.516 1.00 1.01 H new ATOM 0 HA VAL B 99 8.977 19.417 6.059 1.00 1.07 H new ATOM 0 HB VAL B 99 7.940 20.623 7.859 1.00 1.17 H new ATOM 0 HG11 VAL B 99 6.865 19.517 9.766 1.00 1.14 H new ATOM 0 HG12 VAL B 99 5.976 19.258 8.246 1.00 1.14 H new ATOM 0 HG13 VAL B 99 6.985 17.956 8.920 1.00 1.14 H new ATOM 0 HG21 VAL B 99 9.303 19.809 9.754 1.00 1.25 H new ATOM 0 HG22 VAL B 99 9.570 18.276 8.890 1.00 1.25 H new ATOM 0 HG23 VAL B 99 10.212 19.797 8.224 1.00 1.25 H new ATOM 3185 N PRO B 100 9.331 16.916 5.760 1.00 1.01 N ATOM 3186 CA PRO B 100 9.701 15.514 5.693 1.00 1.02 C ATOM 3187 C PRO B 100 11.015 15.231 6.401 1.00 1.28 C ATOM 3188 O PRO B 100 11.507 14.105 6.402 1.00 1.60 O ATOM 3189 CB PRO B 100 9.825 15.304 4.190 1.00 1.04 C ATOM 3190 CG PRO B 100 10.374 16.605 3.683 1.00 1.04 C ATOM 3191 CD PRO B 100 9.921 17.678 4.650 1.00 1.07 C ATOM 0 HA PRO B 100 8.987 14.852 6.183 1.00 1.02 H new ATOM 0 HB2 PRO B 100 10.490 14.473 3.957 1.00 1.04 H new ATOM 0 HB3 PRO B 100 8.860 15.076 3.738 1.00 1.04 H new ATOM 0 HG2 PRO B 100 11.462 16.570 3.627 1.00 1.04 H new ATOM 0 HG3 PRO B 100 10.009 16.812 2.677 1.00 1.04 H new ATOM 0 HD2 PRO B 100 10.756 18.294 4.985 1.00 1.07 H new ATOM 0 HD3 PRO B 100 9.194 18.349 4.193 1.00 1.07 H new ATOM 3199 N SER B 101 11.565 16.259 7.022 1.00 1.57 N ATOM 3200 CA SER B 101 12.837 16.150 7.707 1.00 1.88 C ATOM 3201 C SER B 101 12.637 15.743 9.165 1.00 1.62 C ATOM 3202 O SER B 101 13.196 16.355 10.075 1.00 1.94 O ATOM 3203 CB SER B 101 13.580 17.483 7.618 1.00 2.76 C ATOM 3204 OG SER B 101 13.721 17.888 6.266 1.00 3.39 O ATOM 0 H SER B 101 11.144 17.187 7.065 1.00 1.57 H new ATOM 0 HA SER B 101 13.432 15.375 7.224 1.00 1.88 H new ATOM 0 HB2 SER B 101 13.038 18.246 8.177 1.00 2.76 H new ATOM 0 HB3 SER B 101 14.563 17.389 8.079 1.00 2.76 H new ATOM 0 HG SER B 101 14.197 18.744 6.229 1.00 3.39 H new ATOM 3210 N GLN B 102 11.823 14.716 9.384 1.00 1.61 N ATOM 3211 CA GLN B 102 11.637 14.181 10.724 1.00 2.12 C ATOM 3212 C GLN B 102 12.822 13.301 11.098 1.00 2.74 C ATOM 3213 O GLN B 102 12.758 12.072 11.023 1.00 3.39 O ATOM 3214 CB GLN B 102 10.327 13.394 10.843 1.00 2.47 C ATOM 3215 CG GLN B 102 9.082 14.252 10.688 1.00 3.01 C ATOM 3216 CD GLN B 102 7.857 13.610 11.309 1.00 3.87 C ATOM 3217 OE1 GLN B 102 7.559 13.827 12.482 1.00 4.45 O ATOM 3218 NE2 GLN B 102 7.140 12.813 10.535 1.00 4.44 N ATOM 0 H GLN B 102 11.287 14.242 8.657 1.00 1.61 H new ATOM 0 HA GLN B 102 11.577 15.020 11.417 1.00 2.12 H new ATOM 0 HB2 GLN B 102 10.314 12.611 10.085 1.00 2.47 H new ATOM 0 HB3 GLN B 102 10.298 12.899 11.814 1.00 2.47 H new ATOM 0 HG2 GLN B 102 9.254 15.224 11.151 1.00 3.01 H new ATOM 0 HG3 GLN B 102 8.897 14.432 9.629 1.00 3.01 H new ATOM 0 HE21 GLN B 102 7.419 12.657 9.566 1.00 4.44 H new ATOM 0 HE22 GLN B 102 6.308 12.354 10.907 1.00 4.44 H new ATOM 3227 N LYS B 103 13.910 13.954 11.470 1.00 3.15 N ATOM 3228 CA LYS B 103 15.141 13.276 11.844 1.00 4.07 C ATOM 3229 C LYS B 103 15.027 12.657 13.232 1.00 4.57 C ATOM 3230 O LYS B 103 15.439 13.253 14.225 1.00 5.24 O ATOM 3231 CB LYS B 103 16.315 14.262 11.798 1.00 4.74 C ATOM 3232 CG LYS B 103 16.021 15.598 12.470 1.00 5.31 C ATOM 3233 CD LYS B 103 17.269 16.456 12.605 1.00 6.26 C ATOM 3234 CE LYS B 103 18.250 15.873 13.611 1.00 6.83 C ATOM 3235 NZ LYS B 103 17.658 15.768 14.972 1.00 7.43 N ATOM 0 H LYS B 103 13.965 14.971 11.521 1.00 3.15 H new ATOM 0 HA LYS B 103 15.319 12.472 11.130 1.00 4.07 H new ATOM 0 HB2 LYS B 103 17.180 13.806 12.280 1.00 4.74 H new ATOM 0 HB3 LYS B 103 16.587 14.441 10.758 1.00 4.74 H new ATOM 0 HG2 LYS B 103 15.271 16.137 11.891 1.00 5.31 H new ATOM 0 HG3 LYS B 103 15.595 15.421 13.457 1.00 5.31 H new ATOM 0 HD2 LYS B 103 17.755 16.546 11.634 1.00 6.26 H new ATOM 0 HD3 LYS B 103 16.986 17.462 12.914 1.00 6.26 H new ATOM 0 HE2 LYS B 103 18.568 14.885 13.277 1.00 6.83 H new ATOM 0 HE3 LYS B 103 19.142 16.498 13.651 1.00 6.83 H new ATOM 0 HZ1 LYS B 103 18.418 15.664 15.674 1.00 7.43 H new ATOM 0 HZ2 LYS B 103 17.111 16.628 15.180 1.00 7.43 H new ATOM 0 HZ3 LYS B 103 17.031 14.939 15.015 1.00 7.43 H new ATOM 3249 N ARG B 104 14.463 11.460 13.295 1.00 4.69 N ATOM 3250 CA ARG B 104 14.319 10.760 14.560 1.00 5.54 C ATOM 3251 C ARG B 104 15.686 10.335 15.078 1.00 5.67 C ATOM 3252 O ARG B 104 16.200 10.935 16.021 1.00 5.97 O ATOM 3253 CB ARG B 104 13.395 9.546 14.403 1.00 6.11 C ATOM 3254 CG ARG B 104 13.200 8.725 15.674 1.00 6.81 C ATOM 3255 CD ARG B 104 12.595 9.543 16.810 1.00 7.63 C ATOM 3256 NE ARG B 104 13.594 10.370 17.491 1.00 8.12 N ATOM 3257 CZ ARG B 104 13.313 11.492 18.150 1.00 8.95 C ATOM 3258 NH1 ARG B 104 12.065 11.940 18.212 1.00 9.34 N ATOM 3259 NH2 ARG B 104 14.285 12.168 18.746 1.00 9.59 N ATOM 0 H ARG B 104 14.099 10.955 12.487 1.00 4.69 H new ATOM 0 HA ARG B 104 13.866 11.436 15.286 1.00 5.54 H new ATOM 0 HB2 ARG B 104 12.421 9.890 14.056 1.00 6.11 H new ATOM 0 HB3 ARG B 104 13.799 8.897 13.626 1.00 6.11 H new ATOM 0 HG2 ARG B 104 12.553 7.875 15.458 1.00 6.81 H new ATOM 0 HG3 ARG B 104 14.161 8.321 15.993 1.00 6.81 H new ATOM 0 HD2 ARG B 104 11.806 10.182 16.414 1.00 7.63 H new ATOM 0 HD3 ARG B 104 12.130 8.871 17.531 1.00 7.63 H new ATOM 0 HE ARG B 104 14.567 10.067 17.458 1.00 8.12 H new ATOM 0 HH11 ARG B 104 11.314 11.424 17.753 1.00 9.34 H new ATOM 0 HH12 ARG B 104 11.857 12.800 18.719 1.00 9.34 H new ATOM 0 HH21 ARG B 104 15.246 11.828 18.699 1.00 9.59 H new ATOM 0 HH22 ARG B 104 14.072 13.028 19.252 1.00 9.59 H new ATOM 3273 N THR B 105 16.279 9.338 14.421 1.00 5.80 N ATOM 3274 CA THR B 105 17.576 8.787 14.812 1.00 6.20 C ATOM 3275 C THR B 105 17.681 8.601 16.326 1.00 6.46 C ATOM 3276 O THR B 105 17.009 7.694 16.857 1.00 6.81 O ATOM 3277 CB THR B 105 18.746 9.660 14.298 1.00 6.59 C ATOM 3278 OG1 THR B 105 18.479 11.052 14.530 1.00 6.66 O ATOM 3279 CG2 THR B 105 18.981 9.423 12.815 1.00 7.01 C ATOM 3280 OXT THR B 105 18.433 9.357 16.979 1.00 6.62 O ATOM 0 H THR B 105 15.872 8.889 13.601 1.00 5.80 H new ATOM 0 HA THR B 105 17.651 7.805 14.344 1.00 6.20 H new ATOM 0 HB THR B 105 19.644 9.376 14.847 1.00 6.59 H new ATOM 0 HG1 THR B 105 18.182 11.178 15.455 1.00 6.66 H new ATOM 0 HG21 THR B 105 19.807 10.046 12.473 1.00 7.01 H new ATOM 0 HG22 THR B 105 19.225 8.374 12.648 1.00 7.01 H new ATOM 0 HG23 THR B 105 18.080 9.679 12.258 1.00 7.01 H new TER 3288 THR B 105