USER MOD reduce.3.24.130724 H: found=0, std=0, add=1347, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1347 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 99 SER OG : rot -67:sc= 0.924 USER MOD Set 1.2: A 135 SER OG : rot 180:sc= 0.742 USER MOD Set 2.1: A 34 MET CE :methyl -158:sc= -3.27 (180deg=-3.66!) USER MOD Set 2.2: A 51 MET CE :methyl -171:sc= -1.06 (180deg=-1.19) USER MOD Set 3.1: A 1 MET N :NH3+ 142:sc= 1.31 (180deg=0.288) USER MOD Set 3.2: A 3 SER OG : rot 180:sc= 0.0441 USER MOD Single : A 1 MET CE :methyl 135:sc= -0.197 (180deg=-0.805) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0292 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 10 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0426) USER MOD Single : A 23 THR OG1 : rot -50:sc= 0.406 USER MOD Single : A 25 LYS NZ :NH3+ -169:sc= -0.0178 (180deg=-0.215) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.013 X(o=-0.013,f=-0.46) USER MOD Single : A 42 LYS NZ :NH3+ -159:sc= 1.13 (180deg=-0.131) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 70:sc= 0.6 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 166:sc= -0.726 (180deg=-1.18) USER MOD Single : A 57 TYR OH : rot 180:sc=-0.00638 USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 75 GLN :FLIP amide:sc= -0.0175 F(o=-1.2,f=-0.017) USER MOD Single : A 76 ASN : amide:sc= 1.02 K(o=1,f=-5.7!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0225) USER MOD Single : A 91 SER OG : rot 174:sc= -0.202 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 109:sc= -0.726 USER MOD Single : A 112 MET CE :methyl -161:sc= -0.307 (180deg=-1.22) USER MOD Single : A 115 LYS NZ :NH3+ -158:sc= 1.2 (180deg=0.838) USER MOD Single : A 126 LYS NZ :NH3+ 159:sc= 1.26 (180deg=1.21) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 GLN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 142 LYS NZ :NH3+ -172:sc= -0.0038 (180deg=-0.123) USER MOD Single : A 145 GLN : amide:sc= -0.846 K(o=-0.85,f=-3.4) USER MOD Single : A 146 GLN :FLIP amide:sc=-0.00673 F(o=-1.1,f=-0.0067) USER MOD Single : A 150 SER OG : rot -97:sc= 0.813 USER MOD Single : A 152 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 SER OG : rot 180:sc= 0 USER MOD Single : A 160 SER OG : rot 180:sc= 0 USER MOD Single : A 164 THR OG1 : rot -90:sc= 0.236 USER MOD Single : A 168 MET CE :methyl -145:sc= -0.415 (180deg=-2.27!) USER MOD Single : A 169 GLN : amide:sc= -1.11 K(o=-1.1,f=-3!) USER MOD Single : A 171 THR OG1 : rot 11:sc= 0.599 USER MOD Single : A 172 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 180 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.734 21.374 16.014 1.00 33.65 N ATOM 2 CA MET A 1 -0.529 20.827 15.464 1.00 33.45 C ATOM 3 C MET A 1 -1.730 21.469 16.145 1.00 33.18 C ATOM 4 O MET A 1 -2.203 20.984 17.172 1.00 33.13 O ATOM 5 CB MET A 1 -0.598 19.305 15.650 1.00 33.33 C ATOM 6 CG MET A 1 0.495 18.533 14.930 1.00 33.70 C ATOM 7 SD MET A 1 2.119 18.726 15.694 1.00 34.05 S ATOM 8 CE MET A 1 1.844 17.958 17.290 1.00 34.32 C ATOM 0 H1 MET A 1 1.440 20.613 16.086 1.00 33.65 H new ATOM 0 H2 MET A 1 1.092 22.120 15.385 1.00 33.65 H new ATOM 0 H3 MET A 1 0.558 21.773 16.958 1.00 33.65 H new ATOM 0 HA MET A 1 -0.550 21.055 14.398 1.00 33.45 H new ATOM 0 HB2 MET A 1 -0.544 19.079 16.715 1.00 33.33 H new ATOM 0 HB3 MET A 1 -1.567 18.952 15.298 1.00 33.33 H new ATOM 0 HG2 MET A 1 0.232 17.475 14.911 1.00 33.70 H new ATOM 0 HG3 MET A 1 0.545 18.867 13.894 1.00 33.70 H new ATOM 0 HE1 MET A 1 2.681 17.301 17.527 1.00 34.32 H new ATOM 0 HE2 MET A 1 1.760 18.729 18.055 1.00 34.32 H new ATOM 0 HE3 MET A 1 0.923 17.376 17.260 1.00 34.32 H new ATOM 20 N GLY A 2 -2.216 22.567 15.576 1.00 33.09 N ATOM 21 CA GLY A 2 -3.359 23.258 16.142 1.00 32.90 C ATOM 22 C GLY A 2 -2.990 24.066 17.369 1.00 32.89 C ATOM 23 O GLY A 2 -3.855 24.440 18.158 1.00 32.86 O ATOM 0 H GLY A 2 -1.837 22.992 14.730 1.00 33.09 H new ATOM 0 HA2 GLY A 2 -3.790 23.919 15.390 1.00 32.90 H new ATOM 0 HA3 GLY A 2 -4.127 22.531 16.406 1.00 32.90 H new ATOM 27 N SER A 3 -1.704 24.329 17.526 1.00 32.98 N ATOM 28 CA SER A 3 -1.211 25.071 18.672 1.00 33.04 C ATOM 29 C SER A 3 -1.323 26.572 18.437 1.00 32.62 C ATOM 30 O SER A 3 -1.813 27.300 19.302 1.00 32.63 O ATOM 31 CB SER A 3 0.237 24.671 18.947 1.00 33.70 C ATOM 32 OG SER A 3 0.950 24.480 17.732 1.00 34.12 O ATOM 0 H SER A 3 -0.979 24.038 16.870 1.00 32.98 H new ATOM 0 HA SER A 3 -1.821 24.829 19.542 1.00 33.04 H new ATOM 0 HB2 SER A 3 0.725 25.443 19.542 1.00 33.70 H new ATOM 0 HB3 SER A 3 0.260 23.753 19.535 1.00 33.70 H new ATOM 0 HG SER A 3 1.875 24.226 17.932 1.00 34.12 H new ATOM 38 N ALA A 4 -0.885 27.021 17.262 1.00 32.32 N ATOM 39 CA ALA A 4 -0.905 28.441 16.915 1.00 31.97 C ATOM 40 C ALA A 4 -0.163 29.260 17.966 1.00 31.64 C ATOM 41 O ALA A 4 -0.725 30.166 18.588 1.00 31.19 O ATOM 42 CB ALA A 4 -2.336 28.935 16.742 1.00 31.74 C ATOM 0 H ALA A 4 -0.510 26.418 16.530 1.00 32.32 H new ATOM 0 HA ALA A 4 -0.391 28.570 15.963 1.00 31.97 H new ATOM 0 HB1 ALA A 4 -2.327 29.994 16.484 1.00 31.74 H new ATOM 0 HB2 ALA A 4 -2.822 28.372 15.945 1.00 31.74 H new ATOM 0 HB3 ALA A 4 -2.885 28.793 17.673 1.00 31.74 H new ATOM 48 N THR A 5 1.108 28.922 18.157 1.00 31.95 N ATOM 49 CA THR A 5 1.956 29.566 19.151 1.00 31.80 C ATOM 50 C THR A 5 2.009 31.076 18.940 1.00 31.31 C ATOM 51 O THR A 5 1.951 31.854 19.891 1.00 31.16 O ATOM 52 CB THR A 5 3.385 28.998 19.078 1.00 32.30 C ATOM 53 OG1 THR A 5 3.327 27.582 18.878 1.00 32.53 O ATOM 54 CG2 THR A 5 4.157 29.298 20.353 1.00 32.74 C ATOM 0 H THR A 5 1.580 28.191 17.624 1.00 31.95 H new ATOM 0 HA THR A 5 1.526 29.364 20.132 1.00 31.80 H new ATOM 0 HB THR A 5 3.901 29.472 18.243 1.00 32.30 H new ATOM 0 HG1 THR A 5 4.237 27.221 18.830 1.00 32.53 H new ATOM 0 HG21 THR A 5 5.163 28.886 20.275 1.00 32.74 H new ATOM 0 HG22 THR A 5 4.217 30.377 20.497 1.00 32.74 H new ATOM 0 HG23 THR A 5 3.645 28.847 21.203 1.00 32.74 H new ATOM 62 N VAL A 6 2.095 31.482 17.682 1.00 31.15 N ATOM 63 CA VAL A 6 2.176 32.894 17.335 1.00 30.77 C ATOM 64 C VAL A 6 0.810 33.428 16.920 1.00 30.24 C ATOM 65 O VAL A 6 0.705 34.530 16.377 1.00 30.59 O ATOM 66 CB VAL A 6 3.185 33.136 16.192 1.00 31.07 C ATOM 67 CG1 VAL A 6 4.584 32.719 16.615 1.00 31.29 C ATOM 68 CG2 VAL A 6 2.767 32.389 14.933 1.00 31.20 C ATOM 0 H VAL A 6 2.111 30.851 16.881 1.00 31.15 H new ATOM 0 HA VAL A 6 2.518 33.425 18.224 1.00 30.77 H new ATOM 0 HB VAL A 6 3.194 34.203 15.970 1.00 31.07 H new ATOM 0 HG11 VAL A 6 5.280 32.897 15.796 1.00 31.29 H new ATOM 0 HG12 VAL A 6 4.890 33.301 17.484 1.00 31.29 H new ATOM 0 HG13 VAL A 6 4.587 31.659 16.869 1.00 31.29 H new ATOM 0 HG21 VAL A 6 3.493 32.575 14.142 1.00 31.20 H new ATOM 0 HG22 VAL A 6 2.723 31.320 15.142 1.00 31.20 H new ATOM 0 HG23 VAL A 6 1.785 32.737 14.613 1.00 31.20 H new ATOM 78 N ASN A 7 -0.228 32.632 17.190 1.00 29.46 N ATOM 79 CA ASN A 7 -1.610 32.936 16.793 1.00 28.96 C ATOM 80 C ASN A 7 -1.805 32.764 15.287 1.00 28.50 C ATOM 81 O ASN A 7 -2.700 32.035 14.852 1.00 28.42 O ATOM 82 CB ASN A 7 -2.035 34.345 17.234 1.00 28.74 C ATOM 83 CG ASN A 7 -3.452 34.689 16.810 1.00 28.54 C ATOM 84 OD1 ASN A 7 -3.674 35.224 15.724 1.00 28.57 O ATOM 85 ND2 ASN A 7 -4.418 34.390 17.662 1.00 28.41 N ATOM 0 H ASN A 7 -0.135 31.750 17.694 1.00 29.46 H new ATOM 0 HA ASN A 7 -2.252 32.220 17.306 1.00 28.96 H new ATOM 0 HB2 ASN A 7 -1.956 34.421 18.318 1.00 28.74 H new ATOM 0 HB3 ASN A 7 -1.346 35.077 16.812 1.00 28.74 H new ATOM 0 HD21 ASN A 7 -5.388 34.603 17.428 1.00 28.41 H new ATOM 0 HD22 ASN A 7 -4.193 33.947 18.553 1.00 28.41 H new ATOM 92 N GLY A 8 -0.968 33.424 14.500 1.00 28.28 N ATOM 93 CA GLY A 8 -1.035 33.287 13.060 1.00 27.93 C ATOM 94 C GLY A 8 -0.262 32.076 12.569 1.00 27.61 C ATOM 95 O GLY A 8 -0.190 31.063 13.266 1.00 27.61 O ATOM 0 H GLY A 8 -0.240 34.055 14.835 1.00 28.28 H new ATOM 0 HA2 GLY A 8 -2.077 33.202 12.752 1.00 27.93 H new ATOM 0 HA3 GLY A 8 -0.636 34.187 12.591 1.00 27.93 H new ATOM 99 N PRO A 9 0.344 32.154 11.377 1.00 27.42 N ATOM 100 CA PRO A 9 1.084 31.034 10.795 1.00 27.20 C ATOM 101 C PRO A 9 2.429 30.807 11.476 1.00 26.67 C ATOM 102 O PRO A 9 3.199 31.743 11.689 1.00 26.59 O ATOM 103 CB PRO A 9 1.288 31.465 9.343 1.00 27.23 C ATOM 104 CG PRO A 9 1.290 32.954 9.384 1.00 27.37 C ATOM 105 CD PRO A 9 0.364 33.345 10.506 1.00 27.51 C ATOM 0 HA PRO A 9 0.549 30.091 10.906 1.00 27.20 H new ATOM 0 HB2 PRO A 9 2.226 31.079 8.944 1.00 27.23 H new ATOM 0 HB3 PRO A 9 0.490 31.088 8.703 1.00 27.23 H new ATOM 0 HG2 PRO A 9 2.296 33.337 9.558 1.00 27.37 H new ATOM 0 HG3 PRO A 9 0.950 33.370 8.436 1.00 27.37 H new ATOM 0 HD2 PRO A 9 0.729 34.224 11.038 1.00 27.51 H new ATOM 0 HD3 PRO A 9 -0.632 33.587 10.136 1.00 27.51 H new ATOM 113 N HIS A 10 2.704 29.560 11.820 1.00 26.41 N ATOM 114 CA HIS A 10 3.963 29.197 12.458 1.00 25.98 C ATOM 115 C HIS A 10 4.739 28.251 11.545 1.00 25.20 C ATOM 116 O HIS A 10 5.271 27.230 11.985 1.00 24.97 O ATOM 117 CB HIS A 10 3.690 28.548 13.821 1.00 26.32 C ATOM 118 CG HIS A 10 4.906 28.381 14.684 1.00 26.28 C ATOM 119 ND1 HIS A 10 5.322 27.162 15.168 1.00 26.46 N ATOM 120 CD2 HIS A 10 5.779 29.295 15.169 1.00 26.19 C ATOM 121 CE1 HIS A 10 6.395 27.330 15.914 1.00 26.48 C ATOM 122 NE2 HIS A 10 6.694 28.614 15.929 1.00 26.32 N ATOM 0 H HIS A 10 2.069 28.776 11.668 1.00 26.41 H new ATOM 0 HA HIS A 10 4.564 30.091 12.624 1.00 25.98 H new ATOM 0 HB2 HIS A 10 2.959 29.153 14.358 1.00 26.32 H new ATOM 0 HB3 HIS A 10 3.237 27.570 13.660 1.00 26.32 H new ATOM 0 HD2 HIS A 10 5.758 30.360 14.991 1.00 26.19 H new ATOM 0 HE1 HIS A 10 6.937 26.549 16.426 1.00 26.48 H new ATOM 0 HE2 HIS A 10 7.480 29.033 16.426 1.00 26.32 H new ATOM 131 N ASP A 11 4.773 28.607 10.262 1.00 24.90 N ATOM 132 CA ASP A 11 5.417 27.796 9.228 1.00 24.25 C ATOM 133 C ASP A 11 4.766 26.423 9.107 1.00 23.73 C ATOM 134 O ASP A 11 3.663 26.195 9.612 1.00 23.90 O ATOM 135 CB ASP A 11 6.926 27.653 9.472 1.00 24.28 C ATOM 136 CG ASP A 11 7.693 28.904 9.104 1.00 24.24 C ATOM 137 OD1 ASP A 11 8.039 29.063 7.913 1.00 24.02 O ATOM 138 OD2 ASP A 11 7.959 29.733 9.996 1.00 24.51 O1- ATOM 0 H ASP A 11 4.354 29.467 9.909 1.00 24.90 H new ATOM 0 HA ASP A 11 5.278 28.324 8.284 1.00 24.25 H new ATOM 0 HB2 ASP A 11 7.100 27.419 10.522 1.00 24.28 H new ATOM 0 HB3 ASP A 11 7.307 26.813 8.891 1.00 24.28 H new ATOM 143 N GLY A 12 5.444 25.519 8.416 1.00 23.19 N ATOM 144 CA GLY A 12 4.930 24.181 8.228 1.00 22.76 C ATOM 145 C GLY A 12 4.015 24.106 7.031 1.00 21.82 C ATOM 146 O GLY A 12 4.198 24.843 6.064 1.00 21.65 O ATOM 0 H GLY A 12 6.349 25.692 7.979 1.00 23.19 H new ATOM 0 HA2 GLY A 12 5.759 23.486 8.098 1.00 22.76 H new ATOM 0 HA3 GLY A 12 4.389 23.868 9.121 1.00 22.76 H new ATOM 150 N HIS A 13 3.038 23.220 7.081 1.00 21.31 N ATOM 151 CA HIS A 13 2.046 23.125 6.020 1.00 20.46 C ATOM 152 C HIS A 13 0.692 23.579 6.535 1.00 19.83 C ATOM 153 O HIS A 13 0.178 23.023 7.505 1.00 19.78 O ATOM 154 CB HIS A 13 1.944 21.695 5.475 1.00 20.39 C ATOM 155 CG HIS A 13 3.144 21.248 4.697 1.00 20.50 C ATOM 156 ND1 HIS A 13 3.089 20.893 3.369 1.00 20.49 N ATOM 157 CD2 HIS A 13 4.432 21.078 5.076 1.00 20.77 C ATOM 158 CE1 HIS A 13 4.291 20.520 2.965 1.00 20.74 C ATOM 159 NE2 HIS A 13 5.123 20.626 3.980 1.00 20.92 N ATOM 0 H HIS A 13 2.908 22.555 7.843 1.00 21.31 H new ATOM 0 HA HIS A 13 2.363 23.775 5.204 1.00 20.46 H new ATOM 0 HB2 HIS A 13 1.790 21.010 6.309 1.00 20.39 H new ATOM 0 HB3 HIS A 13 1.063 21.623 4.837 1.00 20.39 H new ATOM 0 HD2 HIS A 13 4.840 21.264 6.059 1.00 20.77 H new ATOM 0 HE1 HIS A 13 4.547 20.185 1.971 1.00 20.74 H new ATOM 0 HE2 HIS A 13 6.119 20.408 3.956 1.00 20.92 H new ATOM 168 N ASP A 14 0.120 24.592 5.901 1.00 19.48 N ATOM 169 CA ASP A 14 -1.193 25.092 6.294 1.00 18.98 C ATOM 170 C ASP A 14 -2.200 24.896 5.167 1.00 18.18 C ATOM 171 O ASP A 14 -2.366 25.768 4.313 1.00 18.03 O ATOM 172 CB ASP A 14 -1.132 26.579 6.675 1.00 19.31 C ATOM 173 CG ASP A 14 -0.302 26.846 7.916 1.00 19.60 C ATOM 174 OD1 ASP A 14 -0.737 26.464 9.026 1.00 19.65 O1- ATOM 175 OD2 ASP A 14 0.790 27.438 7.793 1.00 19.89 O ATOM 0 H ASP A 14 0.542 25.084 5.114 1.00 19.48 H new ATOM 0 HA ASP A 14 -1.513 24.522 7.167 1.00 18.98 H new ATOM 0 HB2 ASP A 14 -0.717 27.144 5.840 1.00 19.31 H new ATOM 0 HB3 ASP A 14 -2.145 26.947 6.837 1.00 19.31 H new ATOM 180 N PRO A 15 -2.866 23.735 5.121 1.00 17.80 N ATOM 181 CA PRO A 15 -3.875 23.451 4.116 1.00 17.14 C ATOM 182 C PRO A 15 -5.278 23.840 4.578 1.00 16.68 C ATOM 183 O PRO A 15 -5.465 24.201 5.743 1.00 16.69 O ATOM 184 CB PRO A 15 -3.759 21.939 3.949 1.00 17.09 C ATOM 185 CG PRO A 15 -3.297 21.430 5.284 1.00 17.72 C ATOM 186 CD PRO A 15 -2.688 22.595 6.034 1.00 18.12 C ATOM 0 HA PRO A 15 -3.721 24.014 3.195 1.00 17.14 H new ATOM 0 HB2 PRO A 15 -4.716 21.499 3.670 1.00 17.09 H new ATOM 0 HB3 PRO A 15 -3.049 21.683 3.163 1.00 17.09 H new ATOM 0 HG2 PRO A 15 -4.133 21.010 5.843 1.00 17.72 H new ATOM 0 HG3 PRO A 15 -2.565 20.632 5.157 1.00 17.72 H new ATOM 0 HD2 PRO A 15 -3.190 22.764 6.986 1.00 18.12 H new ATOM 0 HD3 PRO A 15 -1.635 22.421 6.256 1.00 18.12 H new ATOM 194 N ALA A 16 -6.254 23.781 3.684 1.00 16.42 N ATOM 195 CA ALA A 16 -7.622 24.132 4.039 1.00 16.13 C ATOM 196 C ALA A 16 -8.164 23.169 5.088 1.00 15.32 C ATOM 197 O ALA A 16 -8.516 23.571 6.202 1.00 15.30 O ATOM 198 CB ALA A 16 -8.511 24.134 2.806 1.00 16.58 C ATOM 0 H ALA A 16 -6.126 23.495 2.713 1.00 16.42 H new ATOM 0 HA ALA A 16 -7.621 25.137 4.461 1.00 16.13 H new ATOM 0 HB1 ALA A 16 -9.529 24.399 3.092 1.00 16.58 H new ATOM 0 HB2 ALA A 16 -8.135 24.862 2.088 1.00 16.58 H new ATOM 0 HB3 ALA A 16 -8.507 23.143 2.353 1.00 16.58 H new ATOM 204 N ALA A 17 -8.212 21.899 4.730 1.00 14.80 N ATOM 205 CA ALA A 17 -8.655 20.861 5.641 1.00 14.13 C ATOM 206 C ALA A 17 -7.533 19.861 5.870 1.00 13.59 C ATOM 207 O ALA A 17 -6.430 20.033 5.349 1.00 13.72 O ATOM 208 CB ALA A 17 -9.894 20.165 5.096 1.00 14.36 C ATOM 0 H ALA A 17 -7.947 21.560 3.805 1.00 14.80 H new ATOM 0 HA ALA A 17 -8.917 21.317 6.596 1.00 14.13 H new ATOM 0 HB1 ALA A 17 -10.212 19.389 5.793 1.00 14.36 H new ATOM 0 HB2 ALA A 17 -10.696 20.893 4.973 1.00 14.36 H new ATOM 0 HB3 ALA A 17 -9.663 19.713 4.131 1.00 14.36 H new ATOM 214 N GLY A 18 -7.806 18.828 6.648 1.00 13.17 N ATOM 215 CA GLY A 18 -6.805 17.810 6.885 1.00 12.81 C ATOM 216 C GLY A 18 -6.831 16.740 5.817 1.00 12.32 C ATOM 217 O GLY A 18 -6.660 17.029 4.629 1.00 12.26 O ATOM 0 H GLY A 18 -8.698 18.675 7.118 1.00 13.17 H new ATOM 0 HA2 GLY A 18 -5.818 18.271 6.915 1.00 12.81 H new ATOM 0 HA3 GLY A 18 -6.973 17.354 7.861 1.00 12.81 H new ATOM 221 N ALA A 19 -7.059 15.508 6.231 1.00 12.17 N ATOM 222 CA ALA A 19 -7.161 14.398 5.302 1.00 11.91 C ATOM 223 C ALA A 19 -8.597 13.916 5.212 1.00 11.79 C ATOM 224 O ALA A 19 -8.893 12.918 4.551 1.00 11.90 O ATOM 225 CB ALA A 19 -6.253 13.262 5.739 1.00 11.75 C ATOM 0 H ALA A 19 -7.178 15.250 7.211 1.00 12.17 H new ATOM 0 HA ALA A 19 -6.845 14.739 4.316 1.00 11.91 H new ATOM 0 HB1 ALA A 19 -6.339 12.436 5.034 1.00 11.75 H new ATOM 0 HB2 ALA A 19 -5.221 13.611 5.765 1.00 11.75 H new ATOM 0 HB3 ALA A 19 -6.547 12.923 6.732 1.00 11.75 H new ATOM 231 N GLU A 20 -9.473 14.649 5.896 1.00 11.76 N ATOM 232 CA GLU A 20 -10.887 14.314 6.000 1.00 11.81 C ATOM 233 C GLU A 20 -11.050 12.998 6.748 1.00 11.36 C ATOM 234 O GLU A 20 -11.341 11.965 6.145 1.00 11.31 O ATOM 235 CB GLU A 20 -11.537 14.253 4.615 1.00 12.34 C ATOM 236 CG GLU A 20 -13.043 14.052 4.662 1.00 12.69 C ATOM 237 CD GLU A 20 -13.684 14.103 3.296 1.00 13.43 C ATOM 238 OE1 GLU A 20 -13.493 13.154 2.506 1.00 13.77 O1- ATOM 239 OE2 GLU A 20 -14.384 15.091 2.997 1.00 13.82 O ATOM 0 H GLU A 20 -9.216 15.499 6.397 1.00 11.76 H new ATOM 0 HA GLU A 20 -11.396 15.096 6.562 1.00 11.81 H new ATOM 0 HB2 GLU A 20 -11.318 15.176 4.078 1.00 12.34 H new ATOM 0 HB3 GLU A 20 -11.087 13.439 4.046 1.00 12.34 H new ATOM 0 HG2 GLU A 20 -13.262 13.090 5.125 1.00 12.69 H new ATOM 0 HG3 GLU A 20 -13.488 14.819 5.296 1.00 12.69 H new ATOM 246 N LEU A 21 -10.854 13.049 8.062 1.00 11.26 N ATOM 247 CA LEU A 21 -10.941 11.863 8.912 1.00 11.08 C ATOM 248 C LEU A 21 -9.863 10.858 8.529 1.00 10.75 C ATOM 249 O LEU A 21 -10.082 9.948 7.716 1.00 10.51 O ATOM 250 CB LEU A 21 -12.330 11.221 8.814 1.00 11.53 C ATOM 251 CG LEU A 21 -13.488 12.104 9.277 1.00 11.78 C ATOM 252 CD1 LEU A 21 -14.816 11.399 9.061 1.00 11.96 C ATOM 253 CD2 LEU A 21 -13.315 12.479 10.739 1.00 12.13 C ATOM 0 H LEU A 21 -10.632 13.907 8.566 1.00 11.26 H new ATOM 0 HA LEU A 21 -10.782 12.171 9.945 1.00 11.08 H new ATOM 0 HB2 LEU A 21 -12.507 10.931 7.778 1.00 11.53 H new ATOM 0 HB3 LEU A 21 -12.332 10.306 9.406 1.00 11.53 H new ATOM 0 HG LEU A 21 -13.485 13.018 8.683 1.00 11.78 H new ATOM 0 HD11 LEU A 21 -15.629 12.043 9.397 1.00 11.96 H new ATOM 0 HD12 LEU A 21 -14.942 11.178 8.001 1.00 11.96 H new ATOM 0 HD13 LEU A 21 -14.831 10.469 9.630 1.00 11.96 H new ATOM 0 HD21 LEU A 21 -14.148 13.108 11.054 1.00 12.13 H new ATOM 0 HD22 LEU A 21 -13.293 11.574 11.347 1.00 12.13 H new ATOM 0 HD23 LEU A 21 -12.380 13.024 10.867 1.00 12.13 H new ATOM 265 N LYS A 22 -8.684 11.063 9.130 1.00 10.97 N ATOM 266 CA LYS A 22 -7.467 10.316 8.809 1.00 10.97 C ATOM 267 C LYS A 22 -7.697 8.817 8.800 1.00 10.51 C ATOM 268 O LYS A 22 -7.063 8.093 8.038 1.00 10.50 O ATOM 269 CB LYS A 22 -6.354 10.625 9.815 1.00 11.77 C ATOM 270 CG LYS A 22 -5.876 12.068 9.825 1.00 12.31 C ATOM 271 CD LYS A 22 -4.755 12.251 10.839 1.00 13.08 C ATOM 272 CE LYS A 22 -4.162 13.651 10.794 1.00 13.66 C ATOM 273 NZ LYS A 22 -5.162 14.699 11.134 1.00 14.10 N1+ ATOM 0 H LYS A 22 -8.550 11.761 9.861 1.00 10.97 H new ATOM 0 HA LYS A 22 -7.172 10.634 7.809 1.00 10.97 H new ATOM 0 HB2 LYS A 22 -6.707 10.369 10.814 1.00 11.77 H new ATOM 0 HB3 LYS A 22 -5.503 9.978 9.602 1.00 11.77 H new ATOM 0 HG2 LYS A 22 -5.525 12.348 8.832 1.00 12.31 H new ATOM 0 HG3 LYS A 22 -6.706 12.731 10.068 1.00 12.31 H new ATOM 0 HD2 LYS A 22 -5.137 12.052 11.840 1.00 13.08 H new ATOM 0 HD3 LYS A 22 -3.970 11.520 10.646 1.00 13.08 H new ATOM 0 HE2 LYS A 22 -3.325 13.711 11.490 1.00 13.66 H new ATOM 0 HE3 LYS A 22 -3.763 13.842 9.798 1.00 13.66 H new ATOM 0 HZ1 LYS A 22 -4.697 15.629 11.156 1.00 14.10 H new ATOM 0 HZ2 LYS A 22 -5.915 14.706 10.417 1.00 14.10 H new ATOM 0 HZ3 LYS A 22 -5.574 14.496 12.067 1.00 14.10 H new ATOM 287 N THR A 23 -8.601 8.364 9.656 1.00 10.33 N ATOM 288 CA THR A 23 -8.953 6.960 9.728 1.00 10.01 C ATOM 289 C THR A 23 -10.265 6.786 10.492 1.00 10.01 C ATOM 290 O THR A 23 -10.357 6.046 11.474 1.00 10.38 O ATOM 291 CB THR A 23 -7.803 6.121 10.351 1.00 10.64 C ATOM 292 OG1 THR A 23 -8.176 4.738 10.460 1.00 10.93 O ATOM 293 CG2 THR A 23 -7.397 6.662 11.717 1.00 11.05 C ATOM 0 H THR A 23 -9.106 8.957 10.314 1.00 10.33 H new ATOM 0 HA THR A 23 -9.101 6.585 8.715 1.00 10.01 H new ATOM 0 HB THR A 23 -6.945 6.200 9.683 1.00 10.64 H new ATOM 0 HG1 THR A 23 -9.050 4.668 10.897 1.00 10.93 H new ATOM 0 HG21 THR A 23 -6.591 6.052 12.125 1.00 11.05 H new ATOM 0 HG22 THR A 23 -7.056 7.692 11.614 1.00 11.05 H new ATOM 0 HG23 THR A 23 -8.253 6.629 12.391 1.00 11.05 H new ATOM 301 N GLY A 24 -11.286 7.494 10.027 1.00 9.82 N ATOM 302 CA GLY A 24 -12.607 7.335 10.592 1.00 10.05 C ATOM 303 C GLY A 24 -13.129 5.952 10.331 1.00 9.39 C ATOM 304 O GLY A 24 -13.468 5.213 11.260 1.00 9.61 O ATOM 0 H GLY A 24 -11.221 8.174 9.270 1.00 9.82 H new ATOM 0 HA2 GLY A 24 -12.574 7.521 11.666 1.00 10.05 H new ATOM 0 HA3 GLY A 24 -13.284 8.073 10.161 1.00 10.05 H new ATOM 308 N LYS A 25 -13.175 5.599 9.061 1.00 8.70 N ATOM 309 CA LYS A 25 -13.515 4.256 8.663 1.00 8.11 C ATOM 310 C LYS A 25 -13.040 4.004 7.236 1.00 7.19 C ATOM 311 O LYS A 25 -13.782 3.578 6.360 1.00 6.94 O ATOM 312 CB LYS A 25 -15.019 3.975 8.874 1.00 8.62 C ATOM 313 CG LYS A 25 -15.972 4.510 7.808 1.00 9.02 C ATOM 314 CD LYS A 25 -15.980 6.024 7.742 1.00 9.74 C ATOM 315 CE LYS A 25 -17.011 6.527 6.744 1.00 10.22 C ATOM 316 NZ LYS A 25 -16.778 5.986 5.379 1.00 10.38 N1+ ATOM 0 H LYS A 25 -12.979 6.232 8.286 1.00 8.70 H new ATOM 0 HA LYS A 25 -12.994 3.542 9.302 1.00 8.11 H new ATOM 0 HB2 LYS A 25 -15.157 2.896 8.944 1.00 8.62 H new ATOM 0 HB3 LYS A 25 -15.312 4.397 9.835 1.00 8.62 H new ATOM 0 HG2 LYS A 25 -15.686 4.109 6.836 1.00 9.02 H new ATOM 0 HG3 LYS A 25 -16.981 4.153 8.016 1.00 9.02 H new ATOM 0 HD2 LYS A 25 -16.197 6.432 8.729 1.00 9.74 H new ATOM 0 HD3 LYS A 25 -14.991 6.383 7.459 1.00 9.74 H new ATOM 0 HE2 LYS A 25 -18.009 6.244 7.080 1.00 10.22 H new ATOM 0 HE3 LYS A 25 -16.982 7.616 6.712 1.00 10.22 H new ATOM 0 HZ1 LYS A 25 -17.379 6.492 4.698 1.00 10.38 H new ATOM 0 HZ2 LYS A 25 -15.779 6.114 5.121 1.00 10.38 H new ATOM 0 HZ3 LYS A 25 -17.013 4.973 5.362 1.00 10.38 H new ATOM 330 N ARG A 26 -11.764 4.266 7.039 1.00 6.90 N ATOM 331 CA ARG A 26 -11.098 4.033 5.771 1.00 6.23 C ATOM 332 C ARG A 26 -9.965 3.039 5.958 1.00 5.83 C ATOM 333 O ARG A 26 -9.287 3.034 6.988 1.00 6.27 O ATOM 334 CB ARG A 26 -10.574 5.346 5.212 1.00 6.68 C ATOM 335 CG ARG A 26 -11.680 6.202 4.642 1.00 7.16 C ATOM 336 CD ARG A 26 -11.137 7.385 3.863 1.00 7.38 C ATOM 337 NE ARG A 26 -10.444 8.340 4.725 1.00 7.54 N ATOM 338 CZ ARG A 26 -9.778 9.400 4.274 1.00 7.99 C ATOM 339 NH1 ARG A 26 -9.679 9.621 2.968 1.00 8.33 N1+ ATOM 340 NH2 ARG A 26 -9.211 10.235 5.129 1.00 8.37 N ATOM 0 H ARG A 26 -11.153 4.650 7.760 1.00 6.90 H new ATOM 0 HA ARG A 26 -11.811 3.615 5.060 1.00 6.23 H new ATOM 0 HB2 ARG A 26 -10.060 5.896 6.000 1.00 6.68 H new ATOM 0 HB3 ARG A 26 -9.838 5.141 4.435 1.00 6.68 H new ATOM 0 HG2 ARG A 26 -12.308 5.596 3.990 1.00 7.16 H new ATOM 0 HG3 ARG A 26 -12.315 6.561 5.452 1.00 7.16 H new ATOM 0 HD2 ARG A 26 -10.452 7.028 3.094 1.00 7.38 H new ATOM 0 HD3 ARG A 26 -11.957 7.888 3.351 1.00 7.38 H new ATOM 0 HE ARG A 26 -10.473 8.185 5.733 1.00 7.54 H new ATOM 0 HH11 ARG A 26 -10.114 8.977 2.307 1.00 8.33 H new ATOM 0 HH12 ARG A 26 -9.168 10.435 2.626 1.00 8.33 H new ATOM 0 HH21 ARG A 26 -9.285 10.066 6.132 1.00 8.37 H new ATOM 0 HH22 ARG A 26 -8.700 11.048 4.785 1.00 8.37 H new ATOM 354 N ILE A 27 -9.800 2.199 4.939 1.00 5.15 N ATOM 355 CA ILE A 27 -8.929 1.031 4.987 1.00 4.81 C ATOM 356 C ILE A 27 -7.551 1.350 5.510 1.00 5.34 C ATOM 357 O ILE A 27 -6.807 2.133 4.927 1.00 5.76 O ATOM 358 CB ILE A 27 -8.780 0.372 3.602 1.00 4.32 C ATOM 359 CG1 ILE A 27 -10.143 0.018 3.012 1.00 4.09 C ATOM 360 CG2 ILE A 27 -7.911 -0.863 3.707 1.00 4.22 C ATOM 361 CD1 ILE A 27 -10.886 -1.063 3.751 1.00 4.18 C ATOM 0 H ILE A 27 -10.276 2.314 4.044 1.00 5.15 H new ATOM 0 HA ILE A 27 -9.416 0.341 5.676 1.00 4.81 H new ATOM 0 HB ILE A 27 -8.302 1.086 2.932 1.00 4.32 H new ATOM 0 HG12 ILE A 27 -10.760 0.916 2.993 1.00 4.09 H new ATOM 0 HG13 ILE A 27 -10.006 -0.296 1.977 1.00 4.09 H new ATOM 0 HG21 ILE A 27 -7.811 -1.322 2.724 1.00 4.22 H new ATOM 0 HG22 ILE A 27 -6.925 -0.584 4.079 1.00 4.22 H new ATOM 0 HG23 ILE A 27 -8.370 -1.574 4.394 1.00 4.22 H new ATOM 0 HD11 ILE A 27 -11.842 -1.248 3.261 1.00 4.18 H new ATOM 0 HD12 ILE A 27 -10.294 -1.978 3.748 1.00 4.18 H new ATOM 0 HD13 ILE A 27 -11.060 -0.747 4.779 1.00 4.18 H new ATOM 373 N LEU A 28 -7.225 0.685 6.599 1.00 5.52 N ATOM 374 CA LEU A 28 -5.972 0.886 7.286 1.00 6.20 C ATOM 375 C LEU A 28 -5.066 -0.332 7.104 1.00 6.05 C ATOM 376 O LEU A 28 -3.847 -0.202 6.997 1.00 6.59 O ATOM 377 CB LEU A 28 -6.269 1.115 8.763 1.00 6.86 C ATOM 378 CG LEU A 28 -5.148 1.760 9.582 1.00 7.51 C ATOM 379 CD1 LEU A 28 -4.834 3.156 9.063 1.00 8.22 C ATOM 380 CD2 LEU A 28 -5.536 1.813 11.051 1.00 7.71 C ATOM 0 H LEU A 28 -7.828 -0.014 7.033 1.00 5.52 H new ATOM 0 HA LEU A 28 -5.453 1.752 6.874 1.00 6.20 H new ATOM 0 HB2 LEU A 28 -7.156 1.743 8.841 1.00 6.86 H new ATOM 0 HB3 LEU A 28 -6.517 0.155 9.216 1.00 6.86 H new ATOM 0 HG LEU A 28 -4.250 1.150 9.478 1.00 7.51 H new ATOM 0 HD11 LEU A 28 -4.035 3.595 9.660 1.00 8.22 H new ATOM 0 HD12 LEU A 28 -4.517 3.094 8.022 1.00 8.22 H new ATOM 0 HD13 LEU A 28 -5.725 3.780 9.135 1.00 8.22 H new ATOM 0 HD21 LEU A 28 -4.731 2.274 11.624 1.00 7.71 H new ATOM 0 HD22 LEU A 28 -6.446 2.402 11.166 1.00 7.71 H new ATOM 0 HD23 LEU A 28 -5.710 0.801 11.418 1.00 7.71 H new ATOM 392 N TYR A 29 -5.682 -1.514 7.062 1.00 5.47 N ATOM 393 CA TYR A 29 -4.961 -2.777 6.922 1.00 5.43 C ATOM 394 C TYR A 29 -5.964 -3.924 6.812 1.00 4.86 C ATOM 395 O TYR A 29 -7.171 -3.695 6.722 1.00 4.58 O ATOM 396 CB TYR A 29 -4.027 -3.002 8.111 1.00 6.20 C ATOM 397 CG TYR A 29 -4.750 -3.211 9.420 1.00 6.41 C ATOM 398 CD1 TYR A 29 -5.188 -2.136 10.172 1.00 6.76 C ATOM 399 CD2 TYR A 29 -4.976 -4.487 9.904 1.00 6.48 C ATOM 400 CE1 TYR A 29 -5.835 -2.327 11.379 1.00 7.24 C ATOM 401 CE2 TYR A 29 -5.617 -4.691 11.108 1.00 6.91 C ATOM 402 CZ TYR A 29 -6.115 -3.584 11.810 1.00 7.33 C ATOM 403 OH TYR A 29 -6.682 -3.813 13.048 1.00 7.99 O ATOM 0 H TYR A 29 -6.694 -1.621 7.124 1.00 5.47 H new ATOM 0 HA TYR A 29 -4.353 -2.739 6.018 1.00 5.43 H new ATOM 0 HB2 TYR A 29 -3.400 -3.871 7.910 1.00 6.20 H new ATOM 0 HB3 TYR A 29 -3.362 -2.144 8.207 1.00 6.20 H new ATOM 0 HD1 TYR A 29 -5.022 -1.132 9.811 1.00 6.76 H new ATOM 0 HD2 TYR A 29 -4.645 -5.339 9.329 1.00 6.48 H new ATOM 0 HE1 TYR A 29 -6.118 -1.475 11.980 1.00 7.24 H new ATOM 0 HE2 TYR A 29 -5.734 -5.689 11.504 1.00 6.91 H new ATOM 0 HH TYR A 29 -6.808 -4.776 13.177 1.00 7.99 H new ATOM 413 N TRP A 30 -5.452 -5.151 6.813 1.00 4.95 N ATOM 414 CA TRP A 30 -6.264 -6.346 6.609 1.00 4.73 C ATOM 415 C TRP A 30 -6.090 -7.338 7.740 1.00 5.18 C ATOM 416 O TRP A 30 -5.055 -7.359 8.406 1.00 5.61 O ATOM 417 CB TRP A 30 -5.855 -7.020 5.309 1.00 4.74 C ATOM 418 CG TRP A 30 -6.736 -6.657 4.167 1.00 4.48 C ATOM 419 CD1 TRP A 30 -7.727 -7.417 3.621 1.00 4.66 C ATOM 420 CD2 TRP A 30 -6.712 -5.440 3.434 1.00 4.33 C ATOM 421 NE1 TRP A 30 -8.313 -6.745 2.582 1.00 4.65 N ATOM 422 CE2 TRP A 30 -7.706 -5.528 2.449 1.00 4.37 C ATOM 423 CE3 TRP A 30 -5.940 -4.281 3.515 1.00 4.46 C ATOM 424 CZ2 TRP A 30 -7.946 -4.505 1.550 1.00 4.41 C ATOM 425 CZ3 TRP A 30 -6.180 -3.264 2.620 1.00 4.49 C ATOM 426 CH2 TRP A 30 -7.175 -3.382 1.649 1.00 4.40 C ATOM 0 H TRP A 30 -4.461 -5.345 6.956 1.00 4.95 H new ATOM 0 HA TRP A 30 -7.308 -6.036 6.574 1.00 4.73 H new ATOM 0 HB2 TRP A 30 -4.828 -6.745 5.071 1.00 4.74 H new ATOM 0 HB3 TRP A 30 -5.872 -8.101 5.445 1.00 4.74 H new ATOM 0 HD1 TRP A 30 -8.008 -8.404 3.958 1.00 4.66 H new ATOM 0 HE1 TRP A 30 -9.076 -7.095 2.003 1.00 4.65 H new ATOM 0 HE3 TRP A 30 -5.169 -4.184 4.265 1.00 4.46 H new ATOM 0 HZ2 TRP A 30 -8.715 -4.591 0.797 1.00 4.41 H new ATOM 0 HZ3 TRP A 30 -5.590 -2.361 2.670 1.00 4.49 H new ATOM 0 HH2 TRP A 30 -7.339 -2.567 0.960 1.00 4.40 H new ATOM 437 N ARG A 31 -7.115 -8.156 7.942 1.00 5.31 N ATOM 438 CA ARG A 31 -7.111 -9.160 8.985 1.00 5.89 C ATOM 439 C ARG A 31 -8.082 -10.285 8.644 1.00 6.18 C ATOM 440 O ARG A 31 -9.079 -10.067 7.952 1.00 6.15 O ATOM 441 CB ARG A 31 -7.513 -8.539 10.323 1.00 6.39 C ATOM 442 CG ARG A 31 -8.934 -7.995 10.315 1.00 6.58 C ATOM 443 CD ARG A 31 -9.295 -7.303 11.615 1.00 7.25 C ATOM 444 NE ARG A 31 -10.721 -6.986 11.672 1.00 7.68 N ATOM 445 CZ ARG A 31 -11.305 -6.346 12.683 1.00 8.49 C ATOM 446 NH1 ARG A 31 -10.590 -5.928 13.717 1.00 8.90 N1+ ATOM 447 NH2 ARG A 31 -12.611 -6.121 12.656 1.00 9.06 N ATOM 0 H ARG A 31 -7.969 -8.138 7.385 1.00 5.31 H new ATOM 0 HA ARG A 31 -6.102 -9.565 9.062 1.00 5.89 H new ATOM 0 HB2 ARG A 31 -7.420 -9.288 11.109 1.00 6.39 H new ATOM 0 HB3 ARG A 31 -6.821 -7.733 10.567 1.00 6.39 H new ATOM 0 HG2 ARG A 31 -9.047 -7.293 9.489 1.00 6.58 H new ATOM 0 HG3 ARG A 31 -9.632 -8.813 10.136 1.00 6.58 H new ATOM 0 HD2 ARG A 31 -9.029 -7.943 12.456 1.00 7.25 H new ATOM 0 HD3 ARG A 31 -8.713 -6.387 11.715 1.00 7.25 H new ATOM 0 HE ARG A 31 -11.306 -7.273 10.887 1.00 7.68 H new ATOM 0 HH11 ARG A 31 -9.584 -6.096 13.743 1.00 8.90 H new ATOM 0 HH12 ARG A 31 -11.045 -5.438 14.487 1.00 8.90 H new ATOM 0 HH21 ARG A 31 -13.167 -6.438 11.862 1.00 9.06 H new ATOM 0 HH22 ARG A 31 -13.060 -5.631 13.430 1.00 9.06 H new ATOM 461 N ASP A 32 -7.784 -11.481 9.116 1.00 6.64 N ATOM 462 CA ASP A 32 -8.726 -12.587 9.033 1.00 7.19 C ATOM 463 C ASP A 32 -9.696 -12.460 10.206 1.00 7.82 C ATOM 464 O ASP A 32 -9.272 -12.179 11.327 1.00 8.07 O ATOM 465 CB ASP A 32 -7.976 -13.928 9.106 1.00 7.56 C ATOM 466 CG ASP A 32 -8.805 -15.135 8.686 1.00 7.94 C ATOM 467 OD1 ASP A 32 -9.870 -15.367 9.291 1.00 8.31 O1- ATOM 468 OD2 ASP A 32 -8.424 -15.835 7.728 1.00 8.10 O ATOM 0 H ASP A 32 -6.897 -11.714 9.562 1.00 6.64 H new ATOM 0 HA ASP A 32 -9.268 -12.556 8.088 1.00 7.19 H new ATOM 0 HB2 ASP A 32 -7.092 -13.871 8.471 1.00 7.56 H new ATOM 0 HB3 ASP A 32 -7.626 -14.080 10.127 1.00 7.56 H new ATOM 473 N PRO A 33 -11.002 -12.620 9.976 1.00 8.28 N ATOM 474 CA PRO A 33 -11.993 -12.577 11.053 1.00 9.11 C ATOM 475 C PRO A 33 -11.782 -13.697 12.068 1.00 9.74 C ATOM 476 O PRO A 33 -12.353 -13.684 13.157 1.00 10.41 O ATOM 477 CB PRO A 33 -13.337 -12.748 10.338 1.00 9.60 C ATOM 478 CG PRO A 33 -13.060 -12.498 8.893 1.00 8.98 C ATOM 479 CD PRO A 33 -11.616 -12.828 8.663 1.00 8.23 C ATOM 0 HA PRO A 33 -11.927 -11.650 11.622 1.00 9.11 H new ATOM 0 HB2 PRO A 33 -13.738 -13.750 10.492 1.00 9.60 H new ATOM 0 HB3 PRO A 33 -14.077 -12.046 10.722 1.00 9.60 H new ATOM 0 HG2 PRO A 33 -13.702 -13.115 8.264 1.00 8.98 H new ATOM 0 HG3 PRO A 33 -13.265 -11.459 8.635 1.00 8.98 H new ATOM 0 HD2 PRO A 33 -11.489 -13.855 8.319 1.00 8.23 H new ATOM 0 HD3 PRO A 33 -11.173 -12.181 7.906 1.00 8.23 H new ATOM 487 N MET A 34 -10.954 -14.669 11.701 1.00 9.60 N ATOM 488 CA MET A 34 -10.590 -15.749 12.605 1.00 10.19 C ATOM 489 C MET A 34 -9.274 -15.453 13.311 1.00 9.99 C ATOM 490 O MET A 34 -8.789 -16.265 14.097 1.00 10.53 O ATOM 491 CB MET A 34 -10.465 -17.082 11.863 1.00 10.40 C ATOM 492 CG MET A 34 -11.786 -17.789 11.592 1.00 10.85 C ATOM 493 SD MET A 34 -12.290 -17.771 9.856 1.00 10.55 S ATOM 494 CE MET A 34 -12.878 -16.101 9.672 1.00 10.30 C ATOM 0 H MET A 34 -10.522 -14.729 10.779 1.00 9.60 H new ATOM 0 HA MET A 34 -11.389 -15.825 13.343 1.00 10.19 H new ATOM 0 HB2 MET A 34 -9.961 -16.907 10.912 1.00 10.40 H new ATOM 0 HB3 MET A 34 -9.826 -17.747 12.444 1.00 10.40 H new ATOM 0 HG2 MET A 34 -11.707 -18.824 11.926 1.00 10.85 H new ATOM 0 HG3 MET A 34 -12.567 -17.320 12.191 1.00 10.85 H new ATOM 0 HE1 MET A 34 -13.558 -16.046 8.822 1.00 10.30 H new ATOM 0 HE2 MET A 34 -13.404 -15.798 10.578 1.00 10.30 H new ATOM 0 HE3 MET A 34 -12.033 -15.434 9.503 1.00 10.30 H new ATOM 504 N VAL A 35 -8.697 -14.286 13.037 1.00 9.32 N ATOM 505 CA VAL A 35 -7.457 -13.880 13.705 1.00 9.27 C ATOM 506 C VAL A 35 -7.538 -12.458 14.319 1.00 9.25 C ATOM 507 O VAL A 35 -6.535 -11.741 14.365 1.00 8.98 O ATOM 508 CB VAL A 35 -6.267 -13.966 12.717 1.00 8.70 C ATOM 509 CG1 VAL A 35 -6.315 -15.294 11.982 1.00 8.84 C ATOM 510 CG2 VAL A 35 -6.256 -12.793 11.742 1.00 7.95 C ATOM 0 H VAL A 35 -9.060 -13.610 12.366 1.00 9.32 H new ATOM 0 HA VAL A 35 -7.303 -14.573 14.532 1.00 9.27 H new ATOM 0 HB VAL A 35 -5.339 -13.907 13.285 1.00 8.70 H new ATOM 0 HG11 VAL A 35 -5.478 -15.355 11.287 1.00 8.84 H new ATOM 0 HG12 VAL A 35 -6.250 -16.110 12.701 1.00 8.84 H new ATOM 0 HG13 VAL A 35 -7.252 -15.371 11.430 1.00 8.84 H new ATOM 0 HG21 VAL A 35 -5.407 -12.890 11.066 1.00 7.95 H new ATOM 0 HG22 VAL A 35 -7.181 -12.791 11.165 1.00 7.95 H new ATOM 0 HG23 VAL A 35 -6.173 -11.859 12.298 1.00 7.95 H new ATOM 520 N PRO A 36 -8.709 -12.049 14.868 1.00 9.74 N ATOM 521 CA PRO A 36 -8.924 -10.670 15.322 1.00 9.85 C ATOM 522 C PRO A 36 -7.864 -10.211 16.318 1.00 10.22 C ATOM 523 O PRO A 36 -7.714 -10.784 17.398 1.00 10.95 O ATOM 524 CB PRO A 36 -10.305 -10.710 15.992 1.00 10.65 C ATOM 525 CG PRO A 36 -10.550 -12.150 16.269 1.00 11.10 C ATOM 526 CD PRO A 36 -9.879 -12.885 15.151 1.00 10.41 C ATOM 0 HA PRO A 36 -8.862 -9.964 14.494 1.00 9.85 H new ATOM 0 HB2 PRO A 36 -10.317 -10.123 16.910 1.00 10.65 H new ATOM 0 HB3 PRO A 36 -11.074 -10.296 15.339 1.00 10.65 H new ATOM 0 HG2 PRO A 36 -10.137 -12.441 17.235 1.00 11.10 H new ATOM 0 HG3 PRO A 36 -11.617 -12.369 16.299 1.00 11.10 H new ATOM 0 HD2 PRO A 36 -9.593 -13.895 15.445 1.00 10.41 H new ATOM 0 HD3 PRO A 36 -10.529 -12.979 14.281 1.00 10.41 H new ATOM 534 N GLY A 37 -7.136 -9.172 15.950 1.00 9.82 N ATOM 535 CA GLY A 37 -6.035 -8.705 16.765 1.00 10.31 C ATOM 536 C GLY A 37 -4.753 -8.668 15.968 1.00 9.86 C ATOM 537 O GLY A 37 -3.803 -7.966 16.315 1.00 10.21 O ATOM 0 H GLY A 37 -7.289 -8.639 15.094 1.00 9.82 H new ATOM 0 HA2 GLY A 37 -6.258 -7.710 17.149 1.00 10.31 H new ATOM 0 HA3 GLY A 37 -5.913 -9.360 17.628 1.00 10.31 H new ATOM 541 N GLN A 38 -4.737 -9.434 14.888 1.00 9.21 N ATOM 542 CA GLN A 38 -3.607 -9.469 13.977 1.00 8.88 C ATOM 543 C GLN A 38 -3.707 -8.343 12.953 1.00 8.38 C ATOM 544 O GLN A 38 -4.639 -8.298 12.147 1.00 8.00 O ATOM 545 CB GLN A 38 -3.547 -10.830 13.278 1.00 8.51 C ATOM 546 CG GLN A 38 -2.613 -10.871 12.094 1.00 8.11 C ATOM 547 CD GLN A 38 -1.199 -10.470 12.438 1.00 8.18 C ATOM 548 OE1 GLN A 38 -0.723 -10.680 13.553 1.00 8.47 O ATOM 549 NE2 GLN A 38 -0.527 -9.882 11.474 1.00 8.21 N ATOM 0 H GLN A 38 -5.507 -10.047 14.620 1.00 9.21 H new ATOM 0 HA GLN A 38 -2.690 -9.325 14.548 1.00 8.88 H new ATOM 0 HB2 GLN A 38 -3.235 -11.584 14.000 1.00 8.51 H new ATOM 0 HB3 GLN A 38 -4.549 -11.101 12.947 1.00 8.51 H new ATOM 0 HG2 GLN A 38 -2.607 -11.879 11.679 1.00 8.11 H new ATOM 0 HG3 GLN A 38 -2.993 -10.208 11.317 1.00 8.11 H new ATOM 0 HE21 GLN A 38 -0.966 -9.730 10.566 1.00 8.21 H new ATOM 0 HE22 GLN A 38 0.433 -9.578 11.634 1.00 8.21 H new ATOM 558 N ARG A 39 -2.758 -7.422 13.007 1.00 8.53 N ATOM 559 CA ARG A 39 -2.688 -6.335 12.048 1.00 8.21 C ATOM 560 C ARG A 39 -1.654 -6.645 10.978 1.00 8.04 C ATOM 561 O ARG A 39 -0.447 -6.555 11.208 1.00 8.70 O ATOM 562 CB ARG A 39 -2.337 -5.024 12.749 1.00 8.96 C ATOM 563 CG ARG A 39 -2.090 -3.891 11.767 1.00 8.86 C ATOM 564 CD ARG A 39 -2.320 -2.530 12.390 1.00 9.10 C ATOM 565 NE ARG A 39 -1.986 -1.453 11.460 1.00 10.02 N ATOM 566 CZ ARG A 39 -2.317 -0.174 11.638 1.00 10.60 C ATOM 567 NH1 ARG A 39 -2.990 0.201 12.720 1.00 10.42 N1+ ATOM 568 NH2 ARG A 39 -1.979 0.730 10.727 1.00 11.51 N ATOM 0 H ARG A 39 -2.021 -7.408 13.712 1.00 8.53 H new ATOM 0 HA ARG A 39 -3.665 -6.228 11.577 1.00 8.21 H new ATOM 0 HB2 ARG A 39 -3.148 -4.747 13.423 1.00 8.96 H new ATOM 0 HB3 ARG A 39 -1.448 -5.170 13.363 1.00 8.96 H new ATOM 0 HG2 ARG A 39 -1.066 -3.950 11.397 1.00 8.86 H new ATOM 0 HG3 ARG A 39 -2.748 -4.010 10.906 1.00 8.86 H new ATOM 0 HD2 ARG A 39 -3.363 -2.439 12.694 1.00 9.10 H new ATOM 0 HD3 ARG A 39 -1.715 -2.434 13.292 1.00 9.10 H new ATOM 0 HE ARG A 39 -1.464 -1.696 10.618 1.00 10.02 H new ATOM 0 HH11 ARG A 39 -3.256 -0.491 13.420 1.00 10.42 H new ATOM 0 HH12 ARG A 39 -3.240 1.181 12.851 1.00 10.42 H new ATOM 0 HH21 ARG A 39 -1.467 0.446 9.892 1.00 11.51 H new ATOM 0 HH22 ARG A 39 -2.232 1.709 10.862 1.00 11.51 H new ATOM 582 N PHE A 40 -2.149 -7.046 9.815 1.00 7.31 N ATOM 583 CA PHE A 40 -1.298 -7.341 8.674 1.00 7.34 C ATOM 584 C PHE A 40 -0.831 -6.050 8.035 1.00 7.47 C ATOM 585 O PHE A 40 -1.550 -5.051 8.007 1.00 7.06 O ATOM 586 CB PHE A 40 -2.066 -8.169 7.645 1.00 6.76 C ATOM 587 CG PHE A 40 -2.342 -9.579 8.080 1.00 6.92 C ATOM 588 CD1 PHE A 40 -3.465 -9.872 8.832 1.00 6.93 C ATOM 589 CD2 PHE A 40 -1.476 -10.606 7.747 1.00 7.27 C ATOM 590 CE1 PHE A 40 -3.720 -11.163 9.243 1.00 7.26 C ATOM 591 CE2 PHE A 40 -1.723 -11.899 8.158 1.00 7.50 C ATOM 592 CZ PHE A 40 -2.858 -12.192 8.857 1.00 7.49 C ATOM 0 H PHE A 40 -3.145 -7.175 9.638 1.00 7.31 H new ATOM 0 HA PHE A 40 -0.434 -7.910 9.018 1.00 7.34 H new ATOM 0 HB2 PHE A 40 -3.013 -7.674 7.429 1.00 6.76 H new ATOM 0 HB3 PHE A 40 -1.498 -8.191 6.715 1.00 6.76 H new ATOM 0 HD1 PHE A 40 -4.150 -9.081 9.100 1.00 6.93 H new ATOM 0 HD2 PHE A 40 -0.596 -10.392 7.158 1.00 7.27 H new ATOM 0 HE1 PHE A 40 -4.581 -11.377 9.859 1.00 7.26 H new ATOM 0 HE2 PHE A 40 -1.016 -12.682 7.926 1.00 7.50 H new ATOM 0 HZ PHE A 40 -3.089 -13.216 9.111 1.00 7.49 H new ATOM 602 N ASP A 41 0.388 -6.114 7.509 1.00 8.18 N ATOM 603 CA ASP A 41 1.074 -4.965 6.928 1.00 8.62 C ATOM 604 C ASP A 41 0.320 -4.460 5.716 1.00 8.07 C ATOM 605 O ASP A 41 0.375 -3.276 5.389 1.00 8.18 O ATOM 606 CB ASP A 41 2.493 -5.378 6.517 1.00 9.62 C ATOM 607 CG ASP A 41 3.255 -4.259 5.829 1.00 10.23 C ATOM 608 OD1 ASP A 41 3.712 -3.321 6.524 1.00 10.61 O ATOM 609 OD2 ASP A 41 3.392 -4.306 4.590 1.00 10.48 O1- ATOM 0 H ASP A 41 0.934 -6.975 7.474 1.00 8.18 H new ATOM 0 HA ASP A 41 1.122 -4.166 7.668 1.00 8.62 H new ATOM 0 HB2 ASP A 41 3.044 -5.697 7.402 1.00 9.62 H new ATOM 0 HB3 ASP A 41 2.437 -6.238 5.849 1.00 9.62 H new ATOM 614 N LYS A 42 -0.394 -5.370 5.072 1.00 7.60 N ATOM 615 CA LYS A 42 -1.113 -5.070 3.848 1.00 7.23 C ATOM 616 C LYS A 42 -2.035 -6.224 3.479 1.00 6.69 C ATOM 617 O LYS A 42 -1.912 -7.304 4.059 1.00 6.78 O ATOM 618 CB LYS A 42 -0.138 -4.756 2.697 1.00 8.14 C ATOM 619 CG LYS A 42 0.995 -5.760 2.551 1.00 8.90 C ATOM 620 CD LYS A 42 2.013 -5.298 1.521 1.00 9.77 C ATOM 621 CE LYS A 42 3.241 -6.196 1.503 1.00 10.52 C ATOM 622 NZ LYS A 42 3.856 -6.317 2.851 1.00 10.91 N1+ ATOM 0 H LYS A 42 -0.490 -6.336 5.385 1.00 7.60 H new ATOM 0 HA LYS A 42 -1.723 -4.183 4.018 1.00 7.23 H new ATOM 0 HB2 LYS A 42 -0.697 -4.717 1.762 1.00 8.14 H new ATOM 0 HB3 LYS A 42 0.287 -3.765 2.856 1.00 8.14 H new ATOM 0 HG2 LYS A 42 1.486 -5.900 3.514 1.00 8.90 H new ATOM 0 HG3 LYS A 42 0.590 -6.728 2.256 1.00 8.90 H new ATOM 0 HD2 LYS A 42 1.553 -5.290 0.533 1.00 9.77 H new ATOM 0 HD3 LYS A 42 2.314 -4.274 1.741 1.00 9.77 H new ATOM 0 HE2 LYS A 42 2.962 -7.185 1.140 1.00 10.52 H new ATOM 0 HE3 LYS A 42 3.974 -5.795 0.803 1.00 10.52 H new ATOM 0 HZ1 LYS A 42 4.847 -6.618 2.755 1.00 10.91 H new ATOM 0 HZ2 LYS A 42 3.819 -5.396 3.333 1.00 10.91 H new ATOM 0 HZ3 LYS A 42 3.333 -7.021 3.409 1.00 10.91 H new ATOM 636 N PRO A 43 -2.981 -6.022 2.553 1.00 6.27 N ATOM 637 CA PRO A 43 -3.881 -7.085 2.078 1.00 6.04 C ATOM 638 C PRO A 43 -3.134 -8.355 1.634 1.00 6.80 C ATOM 639 O PRO A 43 -1.904 -8.369 1.512 1.00 7.51 O ATOM 640 CB PRO A 43 -4.611 -6.422 0.890 1.00 6.00 C ATOM 641 CG PRO A 43 -3.792 -5.215 0.571 1.00 6.35 C ATOM 642 CD PRO A 43 -3.286 -4.749 1.901 1.00 6.19 C ATOM 0 HA PRO A 43 -4.549 -7.434 2.865 1.00 6.04 H new ATOM 0 HB2 PRO A 43 -4.672 -7.097 0.036 1.00 6.00 H new ATOM 0 HB3 PRO A 43 -5.633 -6.149 1.155 1.00 6.00 H new ATOM 0 HG2 PRO A 43 -2.971 -5.458 -0.104 1.00 6.35 H new ATOM 0 HG3 PRO A 43 -4.390 -4.446 0.081 1.00 6.35 H new ATOM 0 HD2 PRO A 43 -2.405 -4.114 1.806 1.00 6.19 H new ATOM 0 HD3 PRO A 43 -4.035 -4.176 2.448 1.00 6.19 H new ATOM 650 N GLY A 44 -3.882 -9.427 1.418 1.00 6.81 N ATOM 651 CA GLY A 44 -3.281 -10.673 0.988 1.00 7.59 C ATOM 652 C GLY A 44 -4.042 -11.877 1.500 1.00 7.56 C ATOM 653 O GLY A 44 -5.213 -11.766 1.858 1.00 7.08 O ATOM 0 H GLY A 44 -4.895 -9.456 1.533 1.00 6.81 H new ATOM 0 HA2 GLY A 44 -3.247 -10.702 -0.101 1.00 7.59 H new ATOM 0 HA3 GLY A 44 -2.251 -10.719 1.340 1.00 7.59 H new ATOM 657 N LYS A 45 -3.382 -13.026 1.525 1.00 8.20 N ATOM 658 CA LYS A 45 -3.990 -14.257 2.016 1.00 8.37 C ATOM 659 C LYS A 45 -3.571 -14.513 3.459 1.00 8.15 C ATOM 660 O LYS A 45 -2.464 -14.154 3.860 1.00 8.27 O ATOM 661 CB LYS A 45 -3.572 -15.434 1.134 1.00 9.30 C ATOM 662 CG LYS A 45 -4.240 -16.747 1.503 1.00 9.65 C ATOM 663 CD LYS A 45 -3.233 -17.865 1.610 1.00 10.42 C ATOM 664 CE LYS A 45 -2.397 -18.005 0.349 1.00 11.07 C ATOM 665 NZ LYS A 45 -1.455 -19.150 0.435 1.00 11.68 N1+ ATOM 0 H LYS A 45 -2.418 -13.133 1.209 1.00 8.20 H new ATOM 0 HA LYS A 45 -5.074 -14.152 1.979 1.00 8.37 H new ATOM 0 HB2 LYS A 45 -3.805 -15.198 0.096 1.00 9.30 H new ATOM 0 HB3 LYS A 45 -2.491 -15.557 1.198 1.00 9.30 H new ATOM 0 HG2 LYS A 45 -4.765 -16.636 2.452 1.00 9.65 H new ATOM 0 HG3 LYS A 45 -4.989 -17.000 0.752 1.00 9.65 H new ATOM 0 HD2 LYS A 45 -2.577 -17.681 2.461 1.00 10.42 H new ATOM 0 HD3 LYS A 45 -3.753 -18.803 1.806 1.00 10.42 H new ATOM 0 HE2 LYS A 45 -3.055 -18.139 -0.510 1.00 11.07 H new ATOM 0 HE3 LYS A 45 -1.837 -17.085 0.181 1.00 11.07 H new ATOM 0 HZ1 LYS A 45 -0.903 -19.212 -0.444 1.00 11.68 H new ATOM 0 HZ2 LYS A 45 -0.811 -19.010 1.239 1.00 11.68 H new ATOM 0 HZ3 LYS A 45 -1.991 -20.031 0.570 1.00 11.68 H new ATOM 679 N SER A 46 -4.457 -15.118 4.234 1.00 8.03 N ATOM 680 CA SER A 46 -4.164 -15.442 5.616 1.00 7.98 C ATOM 681 C SER A 46 -3.146 -16.567 5.720 1.00 8.64 C ATOM 682 O SER A 46 -3.316 -17.621 5.106 1.00 9.20 O ATOM 683 CB SER A 46 -5.445 -15.816 6.370 1.00 8.03 C ATOM 684 OG SER A 46 -6.217 -16.760 5.655 1.00 8.36 O ATOM 0 H SER A 46 -5.389 -15.395 3.925 1.00 8.03 H new ATOM 0 HA SER A 46 -3.733 -14.553 6.076 1.00 7.98 H new ATOM 0 HB2 SER A 46 -5.186 -16.223 7.347 1.00 8.03 H new ATOM 0 HB3 SER A 46 -6.039 -14.919 6.546 1.00 8.03 H new ATOM 0 HG SER A 46 -5.757 -17.625 5.654 1.00 8.36 H new ATOM 690 N PRO A 47 -2.080 -16.372 6.501 1.00 8.70 N ATOM 691 CA PRO A 47 -1.114 -17.433 6.763 1.00 9.38 C ATOM 692 C PRO A 47 -1.700 -18.464 7.718 1.00 9.63 C ATOM 693 O PRO A 47 -1.300 -19.628 7.736 1.00 10.25 O ATOM 694 CB PRO A 47 0.062 -16.696 7.403 1.00 9.45 C ATOM 695 CG PRO A 47 -0.542 -15.491 8.035 1.00 8.81 C ATOM 696 CD PRO A 47 -1.729 -15.116 7.186 1.00 8.26 C ATOM 0 HA PRO A 47 -0.827 -17.984 5.867 1.00 9.38 H new ATOM 0 HB2 PRO A 47 0.565 -17.320 8.142 1.00 9.45 H new ATOM 0 HB3 PRO A 47 0.808 -16.420 6.658 1.00 9.45 H new ATOM 0 HG2 PRO A 47 -0.848 -15.702 9.060 1.00 8.81 H new ATOM 0 HG3 PRO A 47 0.178 -14.674 8.079 1.00 8.81 H new ATOM 0 HD2 PRO A 47 -2.555 -14.747 7.794 1.00 8.26 H new ATOM 0 HD3 PRO A 47 -1.480 -14.328 6.475 1.00 8.26 H new ATOM 704 N TYR A 48 -2.694 -18.015 8.482 1.00 9.26 N ATOM 705 CA TYR A 48 -3.299 -18.824 9.519 1.00 9.61 C ATOM 706 C TYR A 48 -4.158 -19.913 8.922 1.00 9.96 C ATOM 707 O TYR A 48 -4.390 -20.943 9.551 1.00 10.49 O ATOM 708 CB TYR A 48 -4.127 -17.960 10.458 1.00 9.34 C ATOM 709 CG TYR A 48 -3.315 -16.919 11.184 1.00 9.17 C ATOM 710 CD1 TYR A 48 -2.644 -17.225 12.355 1.00 9.63 C ATOM 711 CD2 TYR A 48 -3.219 -15.626 10.689 1.00 8.69 C ATOM 712 CE1 TYR A 48 -1.899 -16.271 13.019 1.00 9.70 C ATOM 713 CE2 TYR A 48 -2.475 -14.667 11.344 1.00 8.75 C ATOM 714 CZ TYR A 48 -1.817 -14.994 12.509 1.00 9.30 C ATOM 715 OH TYR A 48 -1.071 -14.043 13.165 1.00 9.57 O ATOM 0 H TYR A 48 -3.096 -17.082 8.394 1.00 9.26 H new ATOM 0 HA TYR A 48 -2.497 -19.292 10.089 1.00 9.61 H new ATOM 0 HB2 TYR A 48 -4.912 -17.465 9.887 1.00 9.34 H new ATOM 0 HB3 TYR A 48 -4.620 -18.600 11.189 1.00 9.34 H new ATOM 0 HD1 TYR A 48 -2.704 -18.226 12.756 1.00 9.63 H new ATOM 0 HD2 TYR A 48 -3.735 -15.367 9.776 1.00 8.69 H new ATOM 0 HE1 TYR A 48 -1.383 -16.525 13.933 1.00 9.70 H new ATOM 0 HE2 TYR A 48 -2.409 -13.665 10.946 1.00 8.75 H new ATOM 0 HH TYR A 48 -1.116 -13.196 12.674 1.00 9.57 H new ATOM 725 N MET A 49 -4.642 -19.689 7.715 1.00 9.74 N ATOM 726 CA MET A 49 -5.247 -20.774 6.971 1.00 10.23 C ATOM 727 C MET A 49 -4.949 -20.698 5.474 1.00 10.20 C ATOM 728 O MET A 49 -3.827 -21.008 5.060 1.00 9.87 O ATOM 729 CB MET A 49 -6.728 -20.946 7.276 1.00 10.28 C ATOM 730 CG MET A 49 -7.516 -19.671 7.221 1.00 10.38 C ATOM 731 SD MET A 49 -8.529 -19.464 8.685 1.00 10.09 S ATOM 732 CE MET A 49 -7.352 -18.648 9.748 1.00 9.55 C ATOM 0 H MET A 49 -4.629 -18.787 7.239 1.00 9.74 H new ATOM 0 HA MET A 49 -4.767 -21.687 7.324 1.00 10.23 H new ATOM 0 HB2 MET A 49 -7.154 -21.655 6.566 1.00 10.28 H new ATOM 0 HB3 MET A 49 -6.835 -21.384 8.268 1.00 10.28 H new ATOM 0 HG2 MET A 49 -6.836 -18.825 7.125 1.00 10.38 H new ATOM 0 HG3 MET A 49 -8.151 -19.672 6.335 1.00 10.38 H new ATOM 0 HE1 MET A 49 -7.871 -18.221 10.606 1.00 9.55 H new ATOM 0 HE2 MET A 49 -6.613 -19.370 10.094 1.00 9.55 H new ATOM 0 HE3 MET A 49 -6.852 -17.853 9.195 1.00 9.55 H new ATOM 742 N ASP A 50 -5.923 -20.281 4.668 1.00 10.69 N ATOM 743 CA ASP A 50 -5.691 -20.003 3.265 1.00 10.83 C ATOM 744 C ASP A 50 -6.854 -19.239 2.645 1.00 10.64 C ATOM 745 O ASP A 50 -7.443 -19.666 1.660 1.00 11.23 O ATOM 746 CB ASP A 50 -5.426 -21.285 2.480 1.00 11.76 C ATOM 747 CG ASP A 50 -6.424 -22.392 2.772 1.00 12.21 C ATOM 748 OD1 ASP A 50 -6.206 -23.167 3.727 1.00 12.33 O1- ATOM 749 OD2 ASP A 50 -7.441 -22.487 2.050 1.00 12.54 O ATOM 0 H ASP A 50 -6.885 -20.129 4.972 1.00 10.69 H new ATOM 0 HA ASP A 50 -4.802 -19.375 3.209 1.00 10.83 H new ATOM 0 HB2 ASP A 50 -5.447 -21.060 1.414 1.00 11.76 H new ATOM 0 HB3 ASP A 50 -4.422 -21.642 2.710 1.00 11.76 H new ATOM 754 N MET A 51 -7.162 -18.084 3.193 1.00 9.87 N ATOM 755 CA MET A 51 -8.217 -17.249 2.630 1.00 9.64 C ATOM 756 C MET A 51 -7.735 -15.823 2.529 1.00 8.84 C ATOM 757 O MET A 51 -6.895 -15.394 3.312 1.00 8.36 O ATOM 758 CB MET A 51 -9.477 -17.306 3.492 1.00 9.70 C ATOM 759 CG MET A 51 -9.230 -17.079 4.964 1.00 9.43 C ATOM 760 SD MET A 51 -10.756 -17.053 5.906 1.00 9.38 S ATOM 761 CE MET A 51 -11.061 -15.295 6.023 1.00 9.04 C ATOM 0 H MET A 51 -6.706 -17.699 4.020 1.00 9.87 H new ATOM 0 HA MET A 51 -8.462 -17.626 1.637 1.00 9.64 H new ATOM 0 HB2 MET A 51 -10.183 -16.557 3.134 1.00 9.70 H new ATOM 0 HB3 MET A 51 -9.950 -18.279 3.360 1.00 9.70 H new ATOM 0 HG2 MET A 51 -8.580 -17.866 5.348 1.00 9.43 H new ATOM 0 HG3 MET A 51 -8.703 -16.135 5.102 1.00 9.43 H new ATOM 0 HE1 MET A 51 -11.884 -15.114 6.714 1.00 9.04 H new ATOM 0 HE2 MET A 51 -10.164 -14.794 6.388 1.00 9.04 H new ATOM 0 HE3 MET A 51 -11.320 -14.904 5.039 1.00 9.04 H new ATOM 771 N PRO A 52 -8.234 -15.069 1.547 1.00 8.77 N ATOM 772 CA PRO A 52 -7.877 -13.673 1.408 1.00 8.04 C ATOM 773 C PRO A 52 -8.417 -12.888 2.581 1.00 7.35 C ATOM 774 O PRO A 52 -9.592 -13.032 2.937 1.00 7.56 O ATOM 775 CB PRO A 52 -8.543 -13.230 0.102 1.00 8.35 C ATOM 776 CG PRO A 52 -8.981 -14.489 -0.572 1.00 9.16 C ATOM 777 CD PRO A 52 -9.190 -15.500 0.519 1.00 9.51 C ATOM 0 HA PRO A 52 -6.799 -13.512 1.388 1.00 8.04 H new ATOM 0 HB2 PRO A 52 -9.391 -12.574 0.297 1.00 8.35 H new ATOM 0 HB3 PRO A 52 -7.846 -12.672 -0.524 1.00 8.35 H new ATOM 0 HG2 PRO A 52 -9.900 -14.329 -1.135 1.00 9.16 H new ATOM 0 HG3 PRO A 52 -8.228 -14.832 -1.282 1.00 9.16 H new ATOM 0 HD2 PRO A 52 -10.215 -15.490 0.890 1.00 9.51 H new ATOM 0 HD3 PRO A 52 -8.985 -16.514 0.176 1.00 9.51 H new ATOM 785 N LEU A 53 -7.565 -12.070 3.176 1.00 6.71 N ATOM 786 CA LEU A 53 -7.918 -11.352 4.384 1.00 6.20 C ATOM 787 C LEU A 53 -9.110 -10.437 4.139 1.00 5.97 C ATOM 788 O LEU A 53 -9.412 -10.079 2.997 1.00 6.05 O ATOM 789 CB LEU A 53 -6.712 -10.564 4.909 1.00 5.79 C ATOM 790 CG LEU A 53 -5.460 -11.405 5.142 1.00 6.23 C ATOM 791 CD1 LEU A 53 -4.237 -10.518 5.297 1.00 6.10 C ATOM 792 CD2 LEU A 53 -5.641 -12.279 6.370 1.00 6.57 C ATOM 0 H LEU A 53 -6.620 -11.888 2.838 1.00 6.71 H new ATOM 0 HA LEU A 53 -8.207 -12.076 5.146 1.00 6.20 H new ATOM 0 HB2 LEU A 53 -6.475 -9.771 4.199 1.00 5.79 H new ATOM 0 HB3 LEU A 53 -6.989 -10.081 5.846 1.00 5.79 H new ATOM 0 HG LEU A 53 -5.306 -12.046 4.274 1.00 6.23 H new ATOM 0 HD11 LEU A 53 -3.356 -11.138 5.462 1.00 6.10 H new ATOM 0 HD12 LEU A 53 -4.100 -9.926 4.392 1.00 6.10 H new ATOM 0 HD13 LEU A 53 -4.376 -9.852 6.148 1.00 6.10 H new ATOM 0 HD21 LEU A 53 -4.742 -12.875 6.528 1.00 6.57 H new ATOM 0 HD22 LEU A 53 -5.816 -11.649 7.242 1.00 6.57 H new ATOM 0 HD23 LEU A 53 -6.494 -12.941 6.223 1.00 6.57 H new ATOM 804 N ILE A 54 -9.773 -10.052 5.204 1.00 5.92 N ATOM 805 CA ILE A 54 -10.979 -9.269 5.101 1.00 5.98 C ATOM 806 C ILE A 54 -10.651 -7.819 5.345 1.00 5.33 C ATOM 807 O ILE A 54 -9.941 -7.484 6.297 1.00 5.16 O ATOM 808 CB ILE A 54 -12.041 -9.740 6.110 1.00 6.77 C ATOM 809 CG1 ILE A 54 -12.439 -11.188 5.813 1.00 7.56 C ATOM 810 CG2 ILE A 54 -13.267 -8.835 6.095 1.00 7.04 C ATOM 811 CD1 ILE A 54 -12.968 -11.403 4.410 1.00 7.89 C ATOM 0 H ILE A 54 -9.493 -10.272 6.160 1.00 5.92 H new ATOM 0 HA ILE A 54 -11.389 -9.397 4.099 1.00 5.98 H new ATOM 0 HB ILE A 54 -11.606 -9.687 7.108 1.00 6.77 H new ATOM 0 HG12 ILE A 54 -11.573 -11.832 5.967 1.00 7.56 H new ATOM 0 HG13 ILE A 54 -13.199 -11.500 6.529 1.00 7.56 H new ATOM 0 HG21 ILE A 54 -13.996 -9.198 6.820 1.00 7.04 H new ATOM 0 HG22 ILE A 54 -12.972 -7.818 6.355 1.00 7.04 H new ATOM 0 HG23 ILE A 54 -13.711 -8.841 5.100 1.00 7.04 H new ATOM 0 HD11 ILE A 54 -13.228 -12.453 4.276 1.00 7.89 H new ATOM 0 HD12 ILE A 54 -13.854 -10.787 4.257 1.00 7.89 H new ATOM 0 HD13 ILE A 54 -12.203 -11.124 3.686 1.00 7.89 H new ATOM 823 N PRO A 55 -11.113 -6.942 4.465 1.00 5.13 N ATOM 824 CA PRO A 55 -10.867 -5.533 4.612 1.00 4.65 C ATOM 825 C PRO A 55 -11.698 -4.920 5.725 1.00 5.10 C ATOM 826 O PRO A 55 -12.818 -5.345 6.010 1.00 5.77 O ATOM 827 CB PRO A 55 -11.232 -4.961 3.245 1.00 4.51 C ATOM 828 CG PRO A 55 -12.231 -5.912 2.683 1.00 5.22 C ATOM 829 CD PRO A 55 -11.898 -7.262 3.256 1.00 5.58 C ATOM 0 HA PRO A 55 -9.837 -5.316 4.897 1.00 4.65 H new ATOM 0 HB2 PRO A 55 -11.649 -3.958 3.336 1.00 4.51 H new ATOM 0 HB3 PRO A 55 -10.355 -4.884 2.602 1.00 4.51 H new ATOM 0 HG2 PRO A 55 -13.245 -5.615 2.952 1.00 5.22 H new ATOM 0 HG3 PRO A 55 -12.182 -5.929 1.594 1.00 5.22 H new ATOM 0 HD2 PRO A 55 -12.798 -7.827 3.500 1.00 5.58 H new ATOM 0 HD3 PRO A 55 -11.324 -7.865 2.553 1.00 5.58 H new ATOM 837 N VAL A 56 -11.100 -3.945 6.371 1.00 5.00 N ATOM 838 CA VAL A 56 -11.710 -3.218 7.466 1.00 5.69 C ATOM 839 C VAL A 56 -12.870 -2.343 7.003 1.00 5.96 C ATOM 840 O VAL A 56 -12.972 -1.975 5.836 1.00 5.52 O ATOM 841 CB VAL A 56 -10.669 -2.343 8.165 1.00 5.77 C ATOM 842 CG1 VAL A 56 -9.569 -3.191 8.792 1.00 5.82 C ATOM 843 CG2 VAL A 56 -10.111 -1.370 7.160 1.00 5.28 C ATOM 0 H VAL A 56 -10.157 -3.627 6.147 1.00 5.00 H new ATOM 0 HA VAL A 56 -12.103 -3.961 8.160 1.00 5.69 H new ATOM 0 HB VAL A 56 -11.139 -1.792 8.979 1.00 5.77 H new ATOM 0 HG11 VAL A 56 -8.843 -2.542 9.282 1.00 5.82 H new ATOM 0 HG12 VAL A 56 -10.005 -3.867 9.527 1.00 5.82 H new ATOM 0 HG13 VAL A 56 -9.070 -3.772 8.016 1.00 5.82 H new ATOM 0 HG21 VAL A 56 -9.366 -0.737 7.642 1.00 5.28 H new ATOM 0 HG22 VAL A 56 -9.646 -1.919 6.341 1.00 5.28 H new ATOM 0 HG23 VAL A 56 -10.917 -0.749 6.769 1.00 5.28 H new ATOM 853 N TYR A 57 -13.688 -2.022 7.989 1.00 6.83 N ATOM 854 CA TYR A 57 -14.928 -1.229 7.905 1.00 7.44 C ATOM 855 C TYR A 57 -15.411 -0.878 6.498 1.00 7.10 C ATOM 856 O TYR A 57 -16.387 -1.456 6.022 1.00 7.48 O ATOM 857 CB TYR A 57 -14.751 0.048 8.730 1.00 7.84 C ATOM 858 CG TYR A 57 -13.305 0.339 9.073 1.00 7.40 C ATOM 859 CD1 TYR A 57 -12.493 1.041 8.195 1.00 6.79 C ATOM 860 CD2 TYR A 57 -12.757 -0.085 10.271 1.00 7.77 C ATOM 861 CE1 TYR A 57 -11.173 1.309 8.500 1.00 6.66 C ATOM 862 CE2 TYR A 57 -11.444 0.181 10.588 1.00 7.62 C ATOM 863 CZ TYR A 57 -10.650 0.866 9.703 1.00 7.11 C ATOM 864 OH TYR A 57 -9.340 1.145 10.007 1.00 7.23 O ATOM 0 H TYR A 57 -13.500 -2.325 8.945 1.00 6.83 H new ATOM 0 HA TYR A 57 -15.712 -1.873 8.302 1.00 7.44 H new ATOM 0 HB2 TYR A 57 -15.163 0.891 8.176 1.00 7.84 H new ATOM 0 HB3 TYR A 57 -15.326 -0.040 9.652 1.00 7.84 H new ATOM 0 HD1 TYR A 57 -12.900 1.384 7.256 1.00 6.79 H new ATOM 0 HD2 TYR A 57 -13.370 -0.634 10.970 1.00 7.77 H new ATOM 0 HE1 TYR A 57 -10.554 1.859 7.806 1.00 6.66 H new ATOM 0 HE2 TYR A 57 -11.039 -0.149 11.533 1.00 7.62 H new ATOM 0 HH TYR A 57 -9.121 0.769 10.885 1.00 7.23 H new ATOM 874 N GLU A 58 -14.753 0.065 5.851 1.00 6.59 N ATOM 875 CA GLU A 58 -15.259 0.646 4.617 1.00 6.41 C ATOM 876 C GLU A 58 -15.395 -0.390 3.517 1.00 6.15 C ATOM 877 O GLU A 58 -16.364 -0.431 2.759 1.00 6.62 O ATOM 878 CB GLU A 58 -14.336 1.776 4.179 1.00 5.89 C ATOM 879 CG GLU A 58 -13.376 1.455 3.047 1.00 5.18 C ATOM 880 CD GLU A 58 -12.612 2.688 2.622 1.00 5.25 C ATOM 881 OE1 GLU A 58 -13.197 3.544 1.935 1.00 5.61 O1- ATOM 882 OE2 GLU A 58 -11.414 2.797 2.966 1.00 5.25 O ATOM 0 H GLU A 58 -13.860 0.449 6.160 1.00 6.59 H new ATOM 0 HA GLU A 58 -16.258 1.039 4.807 1.00 6.41 H new ATOM 0 HB2 GLU A 58 -14.951 2.624 3.877 1.00 5.89 H new ATOM 0 HB3 GLU A 58 -13.753 2.097 5.042 1.00 5.89 H new ATOM 0 HG2 GLU A 58 -12.677 0.681 3.366 1.00 5.18 H new ATOM 0 HG3 GLU A 58 -13.930 1.055 2.198 1.00 5.18 H new ATOM 889 N GLU A 59 -14.391 -1.257 3.528 1.00 5.59 N ATOM 890 CA GLU A 59 -14.270 -2.400 2.638 1.00 5.52 C ATOM 891 C GLU A 59 -14.468 -2.024 1.198 1.00 5.43 C ATOM 892 O GLU A 59 -14.973 -2.816 0.411 1.00 6.06 O ATOM 893 CB GLU A 59 -15.255 -3.510 3.017 1.00 6.40 C ATOM 894 CG GLU A 59 -15.075 -4.061 4.417 1.00 6.94 C ATOM 895 CD GLU A 59 -16.044 -5.184 4.723 1.00 7.89 C ATOM 896 OE1 GLU A 59 -16.084 -6.172 3.954 1.00 8.12 O ATOM 897 OE2 GLU A 59 -16.766 -5.090 5.739 1.00 8.58 O1- ATOM 0 H GLU A 59 -13.611 -1.179 4.181 1.00 5.59 H new ATOM 0 HA GLU A 59 -13.252 -2.770 2.756 1.00 5.52 H new ATOM 0 HB2 GLU A 59 -16.270 -3.126 2.920 1.00 6.40 H new ATOM 0 HB3 GLU A 59 -15.154 -4.327 2.303 1.00 6.40 H new ATOM 0 HG2 GLU A 59 -14.054 -4.424 4.534 1.00 6.94 H new ATOM 0 HG3 GLU A 59 -15.213 -3.258 5.141 1.00 6.94 H new ATOM 904 N GLU A 60 -13.983 -0.850 0.871 1.00 4.88 N ATOM 905 CA GLU A 60 -14.218 -0.225 -0.429 1.00 5.05 C ATOM 906 C GLU A 60 -13.237 0.904 -0.699 1.00 5.18 C ATOM 907 O GLU A 60 -13.616 2.032 -0.998 1.00 5.82 O ATOM 908 CB GLU A 60 -15.652 0.308 -0.561 1.00 5.91 C ATOM 909 CG GLU A 60 -16.717 -0.760 -0.734 1.00 6.37 C ATOM 910 CD GLU A 60 -18.107 -0.178 -0.855 1.00 7.13 C ATOM 911 OE1 GLU A 60 -18.630 0.336 0.155 1.00 7.64 O ATOM 912 OE2 GLU A 60 -18.684 -0.226 -1.961 1.00 7.41 O1- ATOM 0 H GLU A 60 -13.408 -0.288 1.499 1.00 4.88 H new ATOM 0 HA GLU A 60 -14.067 -1.010 -1.170 1.00 5.05 H new ATOM 0 HB2 GLU A 60 -15.889 0.896 0.326 1.00 5.91 H new ATOM 0 HB3 GLU A 60 -15.695 0.985 -1.414 1.00 5.91 H new ATOM 0 HG2 GLU A 60 -16.495 -1.349 -1.624 1.00 6.37 H new ATOM 0 HG3 GLU A 60 -16.685 -1.442 0.116 1.00 6.37 H new ATOM 919 N ASN A 61 -11.978 0.566 -0.598 1.00 4.82 N ATOM 920 CA ASN A 61 -10.889 1.487 -0.960 1.00 5.21 C ATOM 921 C ASN A 61 -9.694 0.710 -1.485 1.00 4.96 C ATOM 922 O ASN A 61 -8.986 1.169 -2.380 1.00 5.37 O ATOM 923 CB ASN A 61 -10.456 2.312 0.242 1.00 5.66 C ATOM 924 CG ASN A 61 -9.513 3.445 -0.117 1.00 6.39 C ATOM 925 OD1 ASN A 61 -9.567 3.993 -1.218 1.00 6.60 O ATOM 926 ND2 ASN A 61 -8.652 3.817 0.818 1.00 7.02 N ATOM 0 H ASN A 61 -11.662 -0.345 -0.267 1.00 4.82 H new ATOM 0 HA ASN A 61 -11.261 2.156 -1.736 1.00 5.21 H new ATOM 0 HB2 ASN A 61 -11.340 2.724 0.728 1.00 5.66 H new ATOM 0 HB3 ASN A 61 -9.969 1.659 0.966 1.00 5.66 H new ATOM 0 HD21 ASN A 61 -8.003 4.583 0.638 1.00 7.02 H new ATOM 0 HD22 ASN A 61 -8.638 3.338 1.718 1.00 7.02 H new ATOM 933 N ALA A 62 -9.507 -0.471 -0.892 1.00 4.60 N ATOM 934 CA ALA A 62 -8.475 -1.437 -1.242 1.00 4.73 C ATOM 935 C ALA A 62 -8.106 -1.363 -2.696 1.00 4.93 C ATOM 936 O ALA A 62 -6.957 -1.130 -3.057 1.00 5.41 O ATOM 937 CB ALA A 62 -9.006 -2.819 -0.940 1.00 4.86 C ATOM 0 H ALA A 62 -10.097 -0.789 -0.124 1.00 4.60 H new ATOM 0 HA ALA A 62 -7.580 -1.215 -0.662 1.00 4.73 H new ATOM 0 HB1 ALA A 62 -8.251 -3.563 -1.194 1.00 4.86 H new ATOM 0 HB2 ALA A 62 -9.246 -2.893 0.121 1.00 4.86 H new ATOM 0 HB3 ALA A 62 -9.905 -3.000 -1.529 1.00 4.86 H new ATOM 943 N ASP A 63 -9.100 -1.580 -3.523 1.00 4.87 N ATOM 944 CA ASP A 63 -8.932 -1.408 -4.930 1.00 5.36 C ATOM 945 C ASP A 63 -10.061 -0.544 -5.459 1.00 5.66 C ATOM 946 O ASP A 63 -10.965 -1.013 -6.145 1.00 6.14 O ATOM 947 CB ASP A 63 -8.882 -2.757 -5.629 1.00 5.84 C ATOM 948 CG ASP A 63 -8.665 -2.647 -7.124 1.00 6.49 C ATOM 949 OD1 ASP A 63 -7.600 -2.149 -7.543 1.00 6.76 O1- ATOM 950 OD2 ASP A 63 -9.558 -3.075 -7.878 1.00 7.01 O ATOM 0 H ASP A 63 -10.033 -1.877 -3.237 1.00 4.87 H new ATOM 0 HA ASP A 63 -7.985 -0.907 -5.132 1.00 5.36 H new ATOM 0 HB2 ASP A 63 -8.080 -3.354 -5.195 1.00 5.84 H new ATOM 0 HB3 ASP A 63 -9.814 -3.291 -5.442 1.00 5.84 H new ATOM 955 N GLY A 64 -10.054 0.697 -5.003 1.00 5.66 N ATOM 956 CA GLY A 64 -10.999 1.697 -5.473 1.00 6.25 C ATOM 957 C GLY A 64 -12.313 1.596 -4.750 1.00 6.54 C ATOM 958 O GLY A 64 -12.807 2.558 -4.165 1.00 7.20 O ATOM 0 H GLY A 64 -9.398 1.039 -4.301 1.00 5.66 H new ATOM 0 HA2 GLY A 64 -10.579 2.692 -5.329 1.00 6.25 H new ATOM 0 HA3 GLY A 64 -11.161 1.571 -6.544 1.00 6.25 H new ATOM 962 N ALA A 65 -12.854 0.404 -4.789 1.00 6.34 N ATOM 963 CA ALA A 65 -14.130 0.097 -4.183 1.00 6.92 C ATOM 964 C ALA A 65 -14.146 -1.365 -3.779 1.00 7.26 C ATOM 965 O ALA A 65 -15.194 -2.007 -3.738 1.00 7.82 O ATOM 966 CB ALA A 65 -15.246 0.405 -5.164 1.00 7.42 C ATOM 0 H ALA A 65 -12.415 -0.394 -5.249 1.00 6.34 H new ATOM 0 HA ALA A 65 -14.282 0.708 -3.293 1.00 6.92 H new ATOM 0 HB1 ALA A 65 -16.207 0.173 -4.706 1.00 7.42 H new ATOM 0 HB2 ALA A 65 -15.216 1.462 -5.429 1.00 7.42 H new ATOM 0 HB3 ALA A 65 -15.117 -0.198 -6.063 1.00 7.42 H new ATOM 972 N ALA A 66 -12.944 -1.870 -3.497 1.00 7.17 N ATOM 973 CA ALA A 66 -12.722 -3.279 -3.183 1.00 7.77 C ATOM 974 C ALA A 66 -13.017 -4.153 -4.388 1.00 7.57 C ATOM 975 O ALA A 66 -13.331 -5.335 -4.241 1.00 8.11 O ATOM 976 CB ALA A 66 -13.545 -3.728 -1.989 1.00 8.65 C ATOM 0 H ALA A 66 -12.093 -1.308 -3.480 1.00 7.17 H new ATOM 0 HA ALA A 66 -11.670 -3.389 -2.920 1.00 7.77 H new ATOM 0 HB1 ALA A 66 -13.351 -4.782 -1.789 1.00 8.65 H new ATOM 0 HB2 ALA A 66 -13.272 -3.136 -1.115 1.00 8.65 H new ATOM 0 HB3 ALA A 66 -14.604 -3.589 -2.204 1.00 8.65 H new ATOM 982 N VAL A 67 -12.908 -3.556 -5.571 1.00 6.98 N ATOM 983 CA VAL A 67 -13.046 -4.295 -6.827 1.00 6.95 C ATOM 984 C VAL A 67 -12.088 -5.476 -6.807 1.00 6.91 C ATOM 985 O VAL A 67 -12.484 -6.626 -7.020 1.00 7.31 O ATOM 986 CB VAL A 67 -12.733 -3.397 -8.045 1.00 6.72 C ATOM 987 CG1 VAL A 67 -12.951 -4.152 -9.349 1.00 6.95 C ATOM 988 CG2 VAL A 67 -13.571 -2.129 -8.011 1.00 6.89 C ATOM 0 H VAL A 67 -12.724 -2.560 -5.689 1.00 6.98 H new ATOM 0 HA VAL A 67 -14.076 -4.639 -6.919 1.00 6.95 H new ATOM 0 HB VAL A 67 -11.682 -3.112 -7.991 1.00 6.72 H new ATOM 0 HG11 VAL A 67 -12.724 -3.498 -10.191 1.00 6.95 H new ATOM 0 HG12 VAL A 67 -12.296 -5.023 -9.379 1.00 6.95 H new ATOM 0 HG13 VAL A 67 -13.990 -4.477 -9.412 1.00 6.95 H new ATOM 0 HG21 VAL A 67 -13.334 -1.513 -8.878 1.00 6.89 H new ATOM 0 HG22 VAL A 67 -14.629 -2.391 -8.031 1.00 6.89 H new ATOM 0 HG23 VAL A 67 -13.352 -1.573 -7.100 1.00 6.89 H new ATOM 998 N ARG A 68 -10.828 -5.163 -6.544 1.00 6.66 N ATOM 999 CA ARG A 68 -9.817 -6.137 -6.180 1.00 6.87 C ATOM 1000 C ARG A 68 -9.342 -7.011 -7.319 1.00 7.21 C ATOM 1001 O ARG A 68 -10.106 -7.450 -8.185 1.00 7.68 O ATOM 1002 CB ARG A 68 -10.288 -6.984 -5.030 1.00 7.41 C ATOM 1003 CG ARG A 68 -9.894 -6.421 -3.689 1.00 7.79 C ATOM 1004 CD ARG A 68 -10.529 -7.204 -2.550 1.00 8.65 C ATOM 1005 NE ARG A 68 -11.991 -7.179 -2.611 1.00 8.94 N ATOM 1006 CZ ARG A 68 -12.779 -7.887 -1.802 1.00 9.70 C ATOM 1007 NH1 ARG A 68 -12.250 -8.723 -0.917 1.00 10.21 N1+ ATOM 1008 NH2 ARG A 68 -14.099 -7.776 -1.896 1.00 10.14 N ATOM 0 H ARG A 68 -10.476 -4.206 -6.579 1.00 6.66 H new ATOM 0 HA ARG A 68 -8.948 -5.551 -5.881 1.00 6.87 H new ATOM 0 HB2 ARG A 68 -11.373 -7.078 -5.075 1.00 7.41 H new ATOM 0 HB3 ARG A 68 -9.877 -7.988 -5.132 1.00 7.41 H new ATOM 0 HG2 ARG A 68 -8.809 -6.444 -3.588 1.00 7.79 H new ATOM 0 HG3 ARG A 68 -10.198 -5.376 -3.628 1.00 7.79 H new ATOM 0 HD2 ARG A 68 -10.183 -8.237 -2.584 1.00 8.65 H new ATOM 0 HD3 ARG A 68 -10.199 -6.789 -1.598 1.00 8.65 H new ATOM 0 HE ARG A 68 -12.433 -6.585 -3.313 1.00 8.94 H new ATOM 0 HH11 ARG A 68 -11.237 -8.825 -0.854 1.00 10.21 H new ATOM 0 HH12 ARG A 68 -12.856 -9.263 -0.300 1.00 10.21 H new ATOM 0 HH21 ARG A 68 -14.510 -7.149 -2.587 1.00 10.14 H new ATOM 0 HH22 ARG A 68 -14.702 -8.318 -1.277 1.00 10.14 H new ATOM 1022 N ILE A 69 -8.051 -7.256 -7.284 1.00 7.25 N ATOM 1023 CA ILE A 69 -7.404 -8.164 -8.210 1.00 7.89 C ATOM 1024 C ILE A 69 -7.701 -9.603 -7.828 1.00 8.72 C ATOM 1025 O ILE A 69 -7.977 -9.906 -6.666 1.00 8.86 O ATOM 1026 CB ILE A 69 -5.875 -7.977 -8.195 1.00 7.93 C ATOM 1027 CG1 ILE A 69 -5.509 -6.488 -8.226 1.00 7.29 C ATOM 1028 CG2 ILE A 69 -5.260 -8.700 -9.376 1.00 8.79 C ATOM 1029 CD1 ILE A 69 -4.022 -6.221 -8.120 1.00 7.43 C ATOM 0 H ILE A 69 -7.416 -6.830 -6.610 1.00 7.25 H new ATOM 0 HA ILE A 69 -7.791 -7.943 -9.205 1.00 7.89 H new ATOM 0 HB ILE A 69 -5.478 -8.401 -7.273 1.00 7.93 H new ATOM 0 HG12 ILE A 69 -5.882 -6.051 -9.152 1.00 7.29 H new ATOM 0 HG13 ILE A 69 -6.019 -5.981 -7.407 1.00 7.29 H new ATOM 0 HG21 ILE A 69 -4.178 -8.565 -9.362 1.00 8.79 H new ATOM 0 HG22 ILE A 69 -5.494 -9.763 -9.314 1.00 8.79 H new ATOM 0 HG23 ILE A 69 -5.664 -8.293 -10.303 1.00 8.79 H new ATOM 0 HD11 ILE A 69 -3.842 -5.146 -8.149 1.00 7.43 H new ATOM 0 HD12 ILE A 69 -3.646 -6.627 -7.181 1.00 7.43 H new ATOM 0 HD13 ILE A 69 -3.506 -6.698 -8.954 1.00 7.43 H new ATOM 1041 N ASP A 70 -7.630 -10.483 -8.808 1.00 9.49 N ATOM 1042 CA ASP A 70 -7.777 -11.902 -8.567 1.00 10.50 C ATOM 1043 C ASP A 70 -6.429 -12.488 -8.171 1.00 10.98 C ATOM 1044 O ASP A 70 -5.830 -13.304 -8.870 1.00 11.84 O ATOM 1045 CB ASP A 70 -8.346 -12.593 -9.807 1.00 11.29 C ATOM 1046 CG ASP A 70 -8.676 -14.057 -9.580 1.00 12.36 C ATOM 1047 OD1 ASP A 70 -9.753 -14.352 -9.024 1.00 13.02 O ATOM 1048 OD2 ASP A 70 -7.850 -14.923 -9.943 1.00 12.66 O1- ATOM 0 H ASP A 70 -7.470 -10.236 -9.785 1.00 9.49 H new ATOM 0 HA ASP A 70 -8.478 -12.066 -7.749 1.00 10.50 H new ATOM 0 HB2 ASP A 70 -9.248 -12.069 -10.125 1.00 11.29 H new ATOM 0 HB3 ASP A 70 -7.627 -12.512 -10.622 1.00 11.29 H new ATOM 1053 N GLY A 71 -5.969 -12.000 -7.020 1.00 10.56 N ATOM 1054 CA GLY A 71 -4.818 -12.543 -6.326 1.00 11.12 C ATOM 1055 C GLY A 71 -3.539 -12.528 -7.126 1.00 11.32 C ATOM 1056 O GLY A 71 -2.638 -13.325 -6.870 1.00 12.13 O ATOM 0 H GLY A 71 -6.396 -11.206 -6.543 1.00 10.56 H new ATOM 0 HA2 GLY A 71 -4.663 -11.977 -5.407 1.00 11.12 H new ATOM 0 HA3 GLY A 71 -5.037 -13.570 -6.034 1.00 11.12 H new ATOM 1060 N ARG A 72 -3.457 -11.615 -8.078 1.00 10.73 N ATOM 1061 CA ARG A 72 -2.260 -11.417 -8.855 1.00 11.04 C ATOM 1062 C ARG A 72 -1.828 -9.986 -8.667 1.00 10.55 C ATOM 1063 O ARG A 72 -2.488 -9.223 -7.962 1.00 9.83 O ATOM 1064 CB ARG A 72 -2.500 -11.715 -10.346 1.00 11.16 C ATOM 1065 CG ARG A 72 -3.153 -10.567 -11.112 1.00 10.42 C ATOM 1066 CD ARG A 72 -3.489 -10.945 -12.549 1.00 10.89 C ATOM 1067 NE ARG A 72 -2.291 -11.195 -13.351 1.00 11.31 N ATOM 1068 CZ ARG A 72 -2.235 -11.063 -14.680 1.00 11.83 C ATOM 1069 NH1 ARG A 72 -3.303 -10.664 -15.359 1.00 12.00 N1+ ATOM 1070 NH2 ARG A 72 -1.106 -11.326 -15.323 1.00 12.38 N ATOM 0 H ARG A 72 -4.224 -10.992 -8.330 1.00 10.73 H new ATOM 0 HA ARG A 72 -1.484 -12.103 -8.517 1.00 11.04 H new ATOM 0 HB2 ARG A 72 -1.546 -11.956 -10.816 1.00 11.16 H new ATOM 0 HB3 ARG A 72 -3.130 -12.600 -10.432 1.00 11.16 H new ATOM 0 HG2 ARG A 72 -4.064 -10.262 -10.597 1.00 10.42 H new ATOM 0 HG3 ARG A 72 -2.484 -9.707 -11.112 1.00 10.42 H new ATOM 0 HD2 ARG A 72 -4.117 -11.836 -12.551 1.00 10.89 H new ATOM 0 HD3 ARG A 72 -4.070 -10.144 -13.007 1.00 10.89 H new ATOM 0 HE ARG A 72 -1.444 -11.489 -12.865 1.00 11.31 H new ATOM 0 HH11 ARG A 72 -4.172 -10.456 -14.867 1.00 12.00 H new ATOM 0 HH12 ARG A 72 -3.255 -10.565 -16.373 1.00 12.00 H new ATOM 0 HH21 ARG A 72 -0.282 -11.629 -14.804 1.00 12.38 H new ATOM 0 HH22 ARG A 72 -1.061 -11.226 -16.337 1.00 12.38 H new ATOM 1084 N VAL A 73 -0.744 -9.611 -9.286 1.00 11.11 N ATOM 1085 CA VAL A 73 -0.312 -8.240 -9.243 1.00 10.97 C ATOM 1086 C VAL A 73 -0.159 -7.718 -10.656 1.00 10.92 C ATOM 1087 O VAL A 73 0.548 -8.298 -11.475 1.00 11.44 O ATOM 1088 CB VAL A 73 0.993 -8.091 -8.462 1.00 11.58 C ATOM 1089 CG1 VAL A 73 1.299 -6.626 -8.180 1.00 11.61 C ATOM 1090 CG2 VAL A 73 0.912 -8.897 -7.172 1.00 11.56 C ATOM 0 H VAL A 73 -0.143 -10.234 -9.826 1.00 11.11 H new ATOM 0 HA VAL A 73 -1.067 -7.651 -8.722 1.00 10.97 H new ATOM 0 HB VAL A 73 1.812 -8.480 -9.066 1.00 11.58 H new ATOM 0 HG11 VAL A 73 2.233 -6.550 -7.623 1.00 11.61 H new ATOM 0 HG12 VAL A 73 1.393 -6.086 -9.122 1.00 11.61 H new ATOM 0 HG13 VAL A 73 0.490 -6.192 -7.593 1.00 11.61 H new ATOM 0 HG21 VAL A 73 1.844 -8.789 -6.617 1.00 11.56 H new ATOM 0 HG22 VAL A 73 0.084 -8.531 -6.566 1.00 11.56 H new ATOM 0 HG23 VAL A 73 0.751 -9.949 -7.409 1.00 11.56 H new ATOM 1100 N THR A 74 -0.859 -6.646 -10.944 1.00 10.48 N ATOM 1101 CA THR A 74 -0.894 -6.105 -12.276 1.00 10.58 C ATOM 1102 C THR A 74 -0.152 -4.774 -12.315 1.00 10.71 C ATOM 1103 O THR A 74 -0.442 -3.883 -13.118 1.00 10.65 O ATOM 1104 CB THR A 74 -2.354 -5.970 -12.777 1.00 10.38 C ATOM 1105 OG1 THR A 74 -2.394 -5.477 -14.121 1.00 10.63 O ATOM 1106 CG2 THR A 74 -3.163 -5.059 -11.864 1.00 9.98 C ATOM 0 H THR A 74 -1.416 -6.129 -10.264 1.00 10.48 H new ATOM 0 HA THR A 74 -0.387 -6.791 -12.954 1.00 10.58 H new ATOM 0 HB THR A 74 -2.799 -6.965 -12.759 1.00 10.38 H new ATOM 0 HG1 THR A 74 -3.326 -5.402 -14.414 1.00 10.63 H new ATOM 0 HG21 THR A 74 -4.184 -4.982 -12.239 1.00 9.98 H new ATOM 0 HG22 THR A 74 -3.177 -5.474 -10.856 1.00 9.98 H new ATOM 0 HG23 THR A 74 -2.708 -4.069 -11.843 1.00 9.98 H new ATOM 1114 N GLN A 75 0.845 -4.695 -11.444 1.00 11.10 N ATOM 1115 CA GLN A 75 1.662 -3.500 -11.249 1.00 11.47 C ATOM 1116 C GLN A 75 0.812 -2.307 -10.809 1.00 11.19 C ATOM 1117 O GLN A 75 0.048 -1.738 -11.586 1.00 11.49 O ATOM 1118 CB GLN A 75 2.442 -3.162 -12.512 1.00 12.23 C ATOM 1119 CG GLN A 75 3.541 -2.140 -12.283 1.00 12.99 C ATOM 1120 CD GLN A 75 4.328 -1.823 -13.540 1.00 13.67 C ATOM 1121 OE1 GLN A 75 3.673 -1.872 -14.691 1.00 13.95 O flip ATOM 1122 NE2 GLN A 75 5.517 -1.517 -13.470 1.00 14.09 N flip ATOM 0 H GLN A 75 1.115 -5.472 -10.841 1.00 11.10 H new ATOM 0 HA GLN A 75 2.373 -3.717 -10.452 1.00 11.47 H new ATOM 0 HB2 GLN A 75 2.882 -4.075 -12.914 1.00 12.23 H new ATOM 0 HB3 GLN A 75 1.753 -2.781 -13.266 1.00 12.23 H new ATOM 0 HG2 GLN A 75 3.100 -1.221 -11.896 1.00 12.99 H new ATOM 0 HG3 GLN A 75 4.223 -2.513 -11.519 1.00 12.99 H new ATOM 0 HE21 GLN A 75 5.984 -1.491 -12.564 1.00 14.09 H new ATOM 0 HE22 GLN A 75 6.036 -1.289 -14.318 1.00 14.09 H new ATOM 1131 N ASN A 76 0.949 -1.938 -9.550 1.00 10.79 N ATOM 1132 CA ASN A 76 0.207 -0.818 -8.995 1.00 10.66 C ATOM 1133 C ASN A 76 0.954 0.488 -9.195 1.00 11.04 C ATOM 1134 O ASN A 76 1.780 0.893 -8.381 1.00 11.22 O ATOM 1135 CB ASN A 76 -0.088 -1.032 -7.508 1.00 10.19 C ATOM 1136 CG ASN A 76 1.127 -1.463 -6.687 1.00 9.94 C ATOM 1137 OD1 ASN A 76 2.003 -2.184 -7.166 1.00 10.12 O ATOM 1138 ND2 ASN A 76 1.193 -1.019 -5.440 1.00 9.78 N ATOM 0 H ASN A 76 1.571 -2.400 -8.887 1.00 10.79 H new ATOM 0 HA ASN A 76 -0.741 -0.760 -9.530 1.00 10.66 H new ATOM 0 HB2 ASN A 76 -0.486 -0.107 -7.091 1.00 10.19 H new ATOM 0 HB3 ASN A 76 -0.867 -1.788 -7.408 1.00 10.19 H new ATOM 0 HD21 ASN A 76 1.985 -1.273 -4.849 1.00 9.78 H new ATOM 0 HD22 ASN A 76 0.452 -0.423 -5.071 1.00 9.78 H new ATOM 1145 N LEU A 77 0.644 1.134 -10.305 1.00 11.36 N ATOM 1146 CA LEU A 77 1.264 2.411 -10.646 1.00 11.92 C ATOM 1147 C LEU A 77 0.607 3.543 -9.881 1.00 11.78 C ATOM 1148 O LEU A 77 1.184 4.626 -9.783 1.00 12.15 O ATOM 1149 CB LEU A 77 1.185 2.716 -12.148 1.00 12.58 C ATOM 1150 CG LEU A 77 2.034 1.836 -13.073 1.00 13.28 C ATOM 1151 CD1 LEU A 77 3.454 1.696 -12.546 1.00 13.59 C ATOM 1152 CD2 LEU A 77 1.389 0.475 -13.273 1.00 13.71 C ATOM 0 H LEU A 77 -0.034 0.798 -10.989 1.00 11.36 H new ATOM 0 HA LEU A 77 2.315 2.329 -10.368 1.00 11.92 H new ATOM 0 HB2 LEU A 77 0.144 2.631 -12.458 1.00 12.58 H new ATOM 0 HB3 LEU A 77 1.480 3.754 -12.301 1.00 12.58 H new ATOM 0 HG LEU A 77 2.087 2.327 -14.044 1.00 13.28 H new ATOM 0 HD11 LEU A 77 4.033 1.067 -13.222 1.00 13.59 H new ATOM 0 HD12 LEU A 77 3.917 2.681 -12.481 1.00 13.59 H new ATOM 0 HD13 LEU A 77 3.431 1.240 -11.556 1.00 13.59 H new ATOM 0 HD21 LEU A 77 2.011 -0.129 -13.933 1.00 13.71 H new ATOM 0 HD22 LEU A 77 1.289 -0.025 -12.310 1.00 13.71 H new ATOM 0 HD23 LEU A 77 0.403 0.602 -13.720 1.00 13.71 H new ATOM 1164 N GLY A 78 -0.581 3.308 -9.341 1.00 11.41 N ATOM 1165 CA GLY A 78 -1.295 4.368 -8.674 1.00 11.44 C ATOM 1166 C GLY A 78 -0.635 4.731 -7.377 1.00 10.55 C ATOM 1167 O GLY A 78 -0.180 5.863 -7.174 1.00 10.48 O ATOM 0 H GLY A 78 -1.058 2.406 -9.355 1.00 11.41 H new ATOM 0 HA2 GLY A 78 -1.339 5.244 -9.321 1.00 11.44 H new ATOM 0 HA3 GLY A 78 -2.323 4.057 -8.488 1.00 11.44 H new ATOM 1171 N VAL A 79 -0.567 3.740 -6.517 1.00 9.99 N ATOM 1172 CA VAL A 79 0.021 3.879 -5.211 1.00 9.16 C ATOM 1173 C VAL A 79 0.961 2.714 -4.952 1.00 8.69 C ATOM 1174 O VAL A 79 0.529 1.609 -4.617 1.00 8.93 O ATOM 1175 CB VAL A 79 -1.075 3.925 -4.133 1.00 9.21 C ATOM 1176 CG1 VAL A 79 -0.485 3.789 -2.734 1.00 8.66 C ATOM 1177 CG2 VAL A 79 -1.872 5.212 -4.245 1.00 9.75 C ATOM 0 H VAL A 79 -0.924 2.804 -6.711 1.00 9.99 H new ATOM 0 HA VAL A 79 0.583 4.812 -5.171 1.00 9.16 H new ATOM 0 HB VAL A 79 -1.742 3.079 -4.299 1.00 9.21 H new ATOM 0 HG11 VAL A 79 -1.286 3.825 -1.996 1.00 8.66 H new ATOM 0 HG12 VAL A 79 0.041 2.838 -2.652 1.00 8.66 H new ATOM 0 HG13 VAL A 79 0.213 4.606 -2.552 1.00 8.66 H new ATOM 0 HG21 VAL A 79 -2.644 5.230 -3.476 1.00 9.75 H new ATOM 0 HG22 VAL A 79 -1.207 6.065 -4.111 1.00 9.75 H new ATOM 0 HG23 VAL A 79 -2.339 5.267 -5.229 1.00 9.75 H new ATOM 1187 N ARG A 80 2.241 2.954 -5.154 1.00 8.26 N ATOM 1188 CA ARG A 80 3.250 1.943 -4.903 1.00 8.04 C ATOM 1189 C ARG A 80 4.307 2.496 -3.972 1.00 7.16 C ATOM 1190 O ARG A 80 4.807 3.608 -4.172 1.00 6.61 O ATOM 1191 CB ARG A 80 3.907 1.486 -6.202 1.00 8.39 C ATOM 1192 CG ARG A 80 4.764 0.239 -6.051 1.00 8.96 C ATOM 1193 CD ARG A 80 5.425 -0.143 -7.364 1.00 9.63 C ATOM 1194 NE ARG A 80 6.234 -1.354 -7.245 1.00 10.25 N ATOM 1195 CZ ARG A 80 6.711 -2.036 -8.286 1.00 10.94 C ATOM 1196 NH1 ARG A 80 6.510 -1.596 -9.524 1.00 11.11 N1+ ATOM 1197 NH2 ARG A 80 7.408 -3.148 -8.088 1.00 11.64 N ATOM 0 H ARG A 80 2.609 3.843 -5.492 1.00 8.26 H new ATOM 0 HA ARG A 80 2.762 1.084 -4.442 1.00 8.04 H new ATOM 0 HB2 ARG A 80 3.131 1.295 -6.943 1.00 8.39 H new ATOM 0 HB3 ARG A 80 4.525 2.296 -6.590 1.00 8.39 H new ATOM 0 HG2 ARG A 80 5.529 0.411 -5.294 1.00 8.96 H new ATOM 0 HG3 ARG A 80 4.147 -0.588 -5.699 1.00 8.96 H new ATOM 0 HD2 ARG A 80 4.658 -0.294 -8.124 1.00 9.63 H new ATOM 0 HD3 ARG A 80 6.054 0.680 -7.705 1.00 9.63 H new ATOM 0 HE ARG A 80 6.447 -1.698 -6.309 1.00 10.25 H new ATOM 0 HH11 ARG A 80 5.989 -0.733 -9.680 1.00 11.11 H new ATOM 0 HH12 ARG A 80 6.877 -2.121 -10.318 1.00 11.11 H new ATOM 0 HH21 ARG A 80 7.579 -3.481 -7.139 1.00 11.64 H new ATOM 0 HH22 ARG A 80 7.773 -3.670 -8.885 1.00 11.64 H new ATOM 1211 N THR A 81 4.638 1.724 -2.962 1.00 7.24 N ATOM 1212 CA THR A 81 5.630 2.121 -1.990 1.00 6.59 C ATOM 1213 C THR A 81 6.504 0.934 -1.647 1.00 6.82 C ATOM 1214 O THR A 81 6.024 -0.197 -1.569 1.00 7.73 O ATOM 1215 CB THR A 81 4.981 2.663 -0.693 1.00 6.98 C ATOM 1216 OG1 THR A 81 4.128 1.664 -0.120 1.00 8.00 O ATOM 1217 CG2 THR A 81 4.169 3.921 -0.953 1.00 7.05 C ATOM 0 H THR A 81 4.228 0.806 -2.792 1.00 7.24 H new ATOM 0 HA THR A 81 6.226 2.920 -2.431 1.00 6.59 H new ATOM 0 HB THR A 81 5.787 2.912 -0.002 1.00 6.98 H new ATOM 0 HG1 THR A 81 3.722 2.012 0.701 1.00 8.00 H new ATOM 0 HG21 THR A 81 3.730 4.270 -0.019 1.00 7.05 H new ATOM 0 HG22 THR A 81 4.819 4.696 -1.360 1.00 7.05 H new ATOM 0 HG23 THR A 81 3.375 3.701 -1.667 1.00 7.05 H new ATOM 1225 N ALA A 82 7.774 1.190 -1.442 1.00 6.18 N ATOM 1226 CA ALA A 82 8.714 0.137 -1.147 1.00 6.65 C ATOM 1227 C ALA A 82 9.131 0.226 0.308 1.00 6.65 C ATOM 1228 O ALA A 82 9.514 1.293 0.788 1.00 5.88 O ATOM 1229 CB ALA A 82 9.919 0.228 -2.073 1.00 6.36 C ATOM 0 H ALA A 82 8.181 2.125 -1.475 1.00 6.18 H new ATOM 0 HA ALA A 82 8.241 -0.831 -1.314 1.00 6.65 H new ATOM 0 HB1 ALA A 82 10.620 -0.573 -1.838 1.00 6.36 H new ATOM 0 HB2 ALA A 82 9.591 0.131 -3.108 1.00 6.36 H new ATOM 0 HB3 ALA A 82 10.411 1.191 -1.937 1.00 6.36 H new ATOM 1235 N GLU A 83 9.012 -0.884 1.010 1.00 7.70 N ATOM 1236 CA GLU A 83 9.393 -0.945 2.403 1.00 8.10 C ATOM 1237 C GLU A 83 10.909 -0.932 2.527 1.00 7.90 C ATOM 1238 O GLU A 83 11.613 -1.555 1.733 1.00 8.21 O ATOM 1239 CB GLU A 83 8.817 -2.200 3.061 1.00 9.47 C ATOM 1240 CG GLU A 83 9.109 -2.301 4.548 1.00 10.14 C ATOM 1241 CD GLU A 83 8.631 -3.606 5.151 1.00 11.52 C ATOM 1242 OE1 GLU A 83 7.436 -3.705 5.492 1.00 12.06 O1- ATOM 1243 OE2 GLU A 83 9.448 -4.538 5.290 1.00 12.15 O ATOM 0 H GLU A 83 8.652 -1.760 0.633 1.00 7.70 H new ATOM 0 HA GLU A 83 8.989 -0.072 2.916 1.00 8.10 H new ATOM 0 HB2 GLU A 83 7.738 -2.215 2.910 1.00 9.47 H new ATOM 0 HB3 GLU A 83 9.221 -3.080 2.560 1.00 9.47 H new ATOM 0 HG2 GLU A 83 10.182 -2.202 4.711 1.00 10.14 H new ATOM 0 HG3 GLU A 83 8.630 -1.470 5.065 1.00 10.14 H new ATOM 1250 N VAL A 84 11.386 -0.195 3.506 1.00 7.58 N ATOM 1251 CA VAL A 84 12.803 -0.097 3.796 1.00 7.50 C ATOM 1252 C VAL A 84 13.391 -1.438 4.175 1.00 8.74 C ATOM 1253 O VAL A 84 12.814 -2.192 4.967 1.00 9.71 O ATOM 1254 CB VAL A 84 13.059 0.918 4.919 1.00 7.28 C ATOM 1255 CG1 VAL A 84 14.511 0.889 5.349 1.00 7.49 C ATOM 1256 CG2 VAL A 84 12.657 2.311 4.469 1.00 6.28 C ATOM 0 H VAL A 84 10.798 0.358 4.129 1.00 7.58 H new ATOM 0 HA VAL A 84 13.295 0.244 2.885 1.00 7.50 H new ATOM 0 HB VAL A 84 12.449 0.643 5.780 1.00 7.28 H new ATOM 0 HG11 VAL A 84 14.669 1.616 6.145 1.00 7.49 H new ATOM 0 HG12 VAL A 84 14.763 -0.107 5.712 1.00 7.49 H new ATOM 0 HG13 VAL A 84 15.147 1.137 4.499 1.00 7.49 H new ATOM 0 HG21 VAL A 84 12.843 3.021 5.274 1.00 6.28 H new ATOM 0 HG22 VAL A 84 13.242 2.593 3.593 1.00 6.28 H new ATOM 0 HG23 VAL A 84 11.597 2.320 4.216 1.00 6.28 H new ATOM 1266 N LYS A 85 14.549 -1.714 3.599 1.00 8.82 N ATOM 1267 CA LYS A 85 15.235 -2.972 3.804 1.00 10.03 C ATOM 1268 C LYS A 85 16.683 -2.712 4.150 1.00 10.02 C ATOM 1269 O LYS A 85 17.219 -1.656 3.836 1.00 9.25 O ATOM 1270 CB LYS A 85 15.179 -3.830 2.533 1.00 10.75 C ATOM 1271 CG LYS A 85 13.783 -3.999 1.974 1.00 10.58 C ATOM 1272 CD LYS A 85 12.867 -4.679 2.972 1.00 11.03 C ATOM 1273 CE LYS A 85 11.415 -4.502 2.590 1.00 10.50 C ATOM 1274 NZ LYS A 85 11.096 -5.136 1.283 1.00 11.02 N1+ ATOM 0 H LYS A 85 15.037 -1.070 2.977 1.00 8.82 H new ATOM 0 HA LYS A 85 14.743 -3.502 4.619 1.00 10.03 H new ATOM 0 HB2 LYS A 85 15.813 -3.377 1.771 1.00 10.75 H new ATOM 0 HB3 LYS A 85 15.595 -4.814 2.751 1.00 10.75 H new ATOM 0 HG2 LYS A 85 13.375 -3.024 1.709 1.00 10.58 H new ATOM 0 HG3 LYS A 85 13.825 -4.587 1.057 1.00 10.58 H new ATOM 0 HD2 LYS A 85 13.105 -5.741 3.023 1.00 11.03 H new ATOM 0 HD3 LYS A 85 13.037 -4.266 3.966 1.00 11.03 H new ATOM 0 HE2 LYS A 85 10.782 -4.934 3.365 1.00 10.50 H new ATOM 0 HE3 LYS A 85 11.181 -3.439 2.543 1.00 10.50 H new ATOM 0 HZ1 LYS A 85 10.074 -5.063 1.102 1.00 11.02 H new ATOM 0 HZ2 LYS A 85 11.617 -4.651 0.525 1.00 11.02 H new ATOM 0 HZ3 LYS A 85 11.373 -6.138 1.307 1.00 11.02 H new ATOM 1288 N LEU A 86 17.302 -3.658 4.811 1.00 10.96 N ATOM 1289 CA LEU A 86 18.747 -3.630 4.971 1.00 11.21 C ATOM 1290 C LEU A 86 19.403 -4.292 3.771 1.00 11.85 C ATOM 1291 O LEU A 86 18.874 -5.268 3.234 1.00 12.43 O ATOM 1292 CB LEU A 86 19.223 -4.304 6.264 1.00 12.08 C ATOM 1293 CG LEU A 86 19.052 -3.483 7.543 1.00 11.90 C ATOM 1294 CD1 LEU A 86 17.589 -3.369 7.923 1.00 11.97 C ATOM 1295 CD2 LEU A 86 19.858 -4.098 8.677 1.00 12.76 C ATOM 0 H LEU A 86 16.838 -4.455 5.247 1.00 10.96 H new ATOM 0 HA LEU A 86 19.042 -2.583 5.038 1.00 11.21 H new ATOM 0 HB2 LEU A 86 18.683 -5.243 6.382 1.00 12.08 H new ATOM 0 HB3 LEU A 86 20.278 -4.555 6.154 1.00 12.08 H new ATOM 0 HG LEU A 86 19.428 -2.477 7.357 1.00 11.90 H new ATOM 0 HD11 LEU A 86 17.495 -2.781 8.836 1.00 11.97 H new ATOM 0 HD12 LEU A 86 17.041 -2.880 7.118 1.00 11.97 H new ATOM 0 HD13 LEU A 86 17.178 -4.365 8.089 1.00 11.97 H new ATOM 0 HD21 LEU A 86 19.727 -3.503 9.581 1.00 12.76 H new ATOM 0 HD22 LEU A 86 19.512 -5.116 8.859 1.00 12.76 H new ATOM 0 HD23 LEU A 86 20.913 -4.117 8.405 1.00 12.76 H new ATOM 1307 N GLY A 87 20.538 -3.780 3.345 1.00 11.89 N ATOM 1308 CA GLY A 87 21.224 -4.389 2.226 1.00 12.65 C ATOM 1309 C GLY A 87 22.535 -5.032 2.625 1.00 12.97 C ATOM 1310 O GLY A 87 22.917 -6.067 2.067 1.00 13.25 O ATOM 0 H GLY A 87 20.997 -2.962 3.746 1.00 11.89 H new ATOM 0 HA2 GLY A 87 20.577 -5.141 1.775 1.00 12.65 H new ATOM 0 HA3 GLY A 87 21.412 -3.632 1.465 1.00 12.65 H new ATOM 1314 N ARG A 88 23.191 -4.431 3.613 1.00 13.08 N ATOM 1315 CA ARG A 88 24.569 -4.772 3.975 1.00 13.46 C ATOM 1316 C ARG A 88 24.831 -6.271 4.105 1.00 14.71 C ATOM 1317 O ARG A 88 23.988 -7.041 4.570 1.00 15.30 O ATOM 1318 CB ARG A 88 24.992 -4.080 5.273 1.00 13.18 C ATOM 1319 CG ARG A 88 24.134 -4.422 6.482 1.00 13.67 C ATOM 1320 CD ARG A 88 24.953 -4.450 7.759 1.00 14.20 C ATOM 1321 NE ARG A 88 24.142 -4.817 8.921 1.00 14.90 N ATOM 1322 CZ ARG A 88 24.551 -4.705 10.183 1.00 15.63 C ATOM 1323 NH1 ARG A 88 25.772 -4.269 10.457 1.00 15.77 N1+ ATOM 1324 NH2 ARG A 88 23.737 -5.042 11.173 1.00 16.35 N ATOM 0 H ARG A 88 22.785 -3.693 4.188 1.00 13.08 H new ATOM 0 HA ARG A 88 25.169 -4.411 3.140 1.00 13.46 H new ATOM 0 HB2 ARG A 88 26.026 -4.346 5.491 1.00 13.18 H new ATOM 0 HB3 ARG A 88 24.966 -3.001 5.119 1.00 13.18 H new ATOM 0 HG2 ARG A 88 23.333 -3.689 6.579 1.00 13.67 H new ATOM 0 HG3 ARG A 88 23.662 -5.393 6.331 1.00 13.67 H new ATOM 0 HD2 ARG A 88 25.772 -5.161 7.649 1.00 14.20 H new ATOM 0 HD3 ARG A 88 25.401 -3.470 7.924 1.00 14.20 H new ATOM 0 HE ARG A 88 23.204 -5.182 8.753 1.00 14.90 H new ATOM 0 HH11 ARG A 88 26.406 -4.017 9.699 1.00 15.77 H new ATOM 0 HH12 ARG A 88 26.078 -4.186 11.426 1.00 15.77 H new ATOM 0 HH21 ARG A 88 22.799 -5.386 10.967 1.00 16.35 H new ATOM 0 HH22 ARG A 88 24.048 -4.957 12.141 1.00 16.35 H new ATOM 1338 N LEU A 89 26.026 -6.654 3.682 1.00 15.20 N ATOM 1339 CA LEU A 89 26.533 -8.005 3.844 1.00 16.46 C ATOM 1340 C LEU A 89 28.058 -7.923 3.823 1.00 16.93 C ATOM 1341 O LEU A 89 28.679 -8.038 2.765 1.00 16.94 O ATOM 1342 CB LEU A 89 26.017 -8.891 2.699 1.00 16.92 C ATOM 1343 CG LEU A 89 25.942 -10.395 2.994 1.00 17.63 C ATOM 1344 CD1 LEU A 89 25.283 -11.121 1.835 1.00 18.22 C ATOM 1345 CD2 LEU A 89 27.323 -10.982 3.257 1.00 17.91 C ATOM 0 H LEU A 89 26.678 -6.026 3.211 1.00 15.20 H new ATOM 0 HA LEU A 89 26.195 -8.445 4.782 1.00 16.46 H new ATOM 0 HB2 LEU A 89 25.022 -8.546 2.419 1.00 16.92 H new ATOM 0 HB3 LEU A 89 26.661 -8.743 1.832 1.00 16.92 H new ATOM 0 HG LEU A 89 25.343 -10.529 3.894 1.00 17.63 H new ATOM 0 HD11 LEU A 89 25.235 -12.188 2.054 1.00 18.22 H new ATOM 0 HD12 LEU A 89 24.274 -10.734 1.690 1.00 18.22 H new ATOM 0 HD13 LEU A 89 25.866 -10.963 0.928 1.00 18.22 H new ATOM 0 HD21 LEU A 89 27.232 -12.049 3.462 1.00 17.91 H new ATOM 0 HD22 LEU A 89 27.954 -10.834 2.381 1.00 17.91 H new ATOM 0 HD23 LEU A 89 27.772 -10.484 4.116 1.00 17.91 H new ATOM 1357 N GLY A 90 28.657 -7.669 4.977 1.00 17.39 N ATOM 1358 CA GLY A 90 30.086 -7.421 5.026 1.00 17.91 C ATOM 1359 C GLY A 90 30.335 -5.941 4.872 1.00 17.35 C ATOM 1360 O GLY A 90 31.459 -5.449 4.964 1.00 17.38 O ATOM 0 H GLY A 90 28.182 -7.630 5.879 1.00 17.39 H new ATOM 0 HA2 GLY A 90 30.497 -7.775 5.971 1.00 17.91 H new ATOM 0 HA3 GLY A 90 30.591 -7.972 4.232 1.00 17.91 H new ATOM 1364 N SER A 91 29.249 -5.255 4.601 1.00 16.99 N ATOM 1365 CA SER A 91 29.203 -3.819 4.511 1.00 16.48 C ATOM 1366 C SER A 91 28.393 -3.286 5.688 1.00 15.54 C ATOM 1367 O SER A 91 27.826 -4.053 6.468 1.00 15.66 O ATOM 1368 CB SER A 91 28.547 -3.453 3.182 1.00 16.77 C ATOM 1369 OG SER A 91 27.407 -4.263 2.932 1.00 17.11 O ATOM 0 H SER A 91 28.346 -5.698 4.432 1.00 16.99 H new ATOM 0 HA SER A 91 30.200 -3.381 4.550 1.00 16.48 H new ATOM 0 HB2 SER A 91 28.255 -2.403 3.195 1.00 16.77 H new ATOM 0 HB3 SER A 91 29.267 -3.574 2.373 1.00 16.77 H new ATOM 0 HG SER A 91 26.950 -3.945 2.126 1.00 17.11 H new ATOM 1375 N THR A 92 28.365 -1.974 5.814 1.00 14.73 N ATOM 1376 CA THR A 92 27.652 -1.307 6.889 1.00 13.85 C ATOM 1377 C THR A 92 26.218 -1.085 6.514 1.00 13.26 C ATOM 1378 O THR A 92 25.881 -0.850 5.354 1.00 13.32 O ATOM 1379 CB THR A 92 28.285 0.050 7.230 1.00 13.23 C ATOM 1380 OG1 THR A 92 29.712 -0.065 7.276 1.00 13.97 O ATOM 1381 CG2 THR A 92 27.778 0.586 8.561 1.00 12.68 C ATOM 0 H THR A 92 28.837 -1.337 5.172 1.00 14.73 H new ATOM 0 HA THR A 92 27.713 -1.957 7.762 1.00 13.85 H new ATOM 0 HB THR A 92 27.998 0.751 6.446 1.00 13.23 H new ATOM 0 HG1 THR A 92 30.104 0.807 7.493 1.00 13.97 H new ATOM 0 HG21 THR A 92 28.248 1.547 8.769 1.00 12.68 H new ATOM 0 HG22 THR A 92 26.696 0.713 8.514 1.00 12.68 H new ATOM 0 HG23 THR A 92 28.026 -0.118 9.355 1.00 12.68 H new ATOM 1389 N GLU A 93 25.406 -1.131 7.538 1.00 12.87 N ATOM 1390 CA GLU A 93 23.976 -1.142 7.398 1.00 12.37 C ATOM 1391 C GLU A 93 23.456 0.169 6.853 1.00 11.13 C ATOM 1392 O GLU A 93 23.579 1.218 7.488 1.00 10.78 O ATOM 1393 CB GLU A 93 23.317 -1.453 8.738 1.00 13.03 C ATOM 1394 CG GLU A 93 21.825 -1.285 8.698 1.00 13.80 C ATOM 1395 CD GLU A 93 21.233 -1.026 10.066 1.00 14.57 C ATOM 1396 OE1 GLU A 93 21.095 -1.983 10.855 1.00 14.92 O1- ATOM 1397 OE2 GLU A 93 20.929 0.144 10.374 1.00 14.94 O ATOM 0 H GLU A 93 25.726 -1.162 8.506 1.00 12.87 H new ATOM 0 HA GLU A 93 23.721 -1.923 6.682 1.00 12.37 H new ATOM 0 HB2 GLU A 93 23.557 -2.476 9.028 1.00 13.03 H new ATOM 0 HB3 GLU A 93 23.733 -0.799 9.504 1.00 13.03 H new ATOM 0 HG2 GLU A 93 21.574 -0.457 8.035 1.00 13.80 H new ATOM 0 HG3 GLU A 93 21.373 -2.182 8.274 1.00 13.80 H new ATOM 1404 N ARG A 94 22.900 0.091 5.663 1.00 10.57 N ATOM 1405 CA ARG A 94 22.171 1.190 5.092 1.00 9.39 C ATOM 1406 C ARG A 94 20.742 0.757 4.834 1.00 8.96 C ATOM 1407 O ARG A 94 20.467 -0.439 4.704 1.00 9.64 O ATOM 1408 CB ARG A 94 22.817 1.668 3.795 1.00 9.13 C ATOM 1409 CG ARG A 94 23.398 3.064 3.877 1.00 9.07 C ATOM 1410 CD ARG A 94 24.543 3.155 4.873 1.00 9.14 C ATOM 1411 NE ARG A 94 25.714 2.397 4.426 1.00 9.49 N ATOM 1412 CZ ARG A 94 26.953 2.594 4.877 1.00 9.84 C ATOM 1413 NH1 ARG A 94 27.188 3.497 5.820 1.00 9.96 N1+ ATOM 1414 NH2 ARG A 94 27.955 1.873 4.393 1.00 10.27 N ATOM 0 H ARG A 94 22.944 -0.737 5.069 1.00 10.57 H new ATOM 0 HA ARG A 94 22.185 2.022 5.795 1.00 9.39 H new ATOM 0 HB2 ARG A 94 23.608 0.972 3.516 1.00 9.13 H new ATOM 0 HB3 ARG A 94 22.073 1.641 2.999 1.00 9.13 H new ATOM 0 HG2 ARG A 94 23.752 3.366 2.891 1.00 9.07 H new ATOM 0 HG3 ARG A 94 22.614 3.765 4.163 1.00 9.07 H new ATOM 0 HD2 ARG A 94 24.819 4.200 5.015 1.00 9.14 H new ATOM 0 HD3 ARG A 94 24.214 2.778 5.841 1.00 9.14 H new ATOM 0 HE ARG A 94 25.572 1.671 3.724 1.00 9.49 H new ATOM 0 HH11 ARG A 94 26.418 4.045 6.204 1.00 9.96 H new ATOM 0 HH12 ARG A 94 28.138 3.643 6.161 1.00 9.96 H new ATOM 0 HH21 ARG A 94 27.777 1.169 3.677 1.00 10.27 H new ATOM 0 HH22 ARG A 94 28.904 2.022 4.737 1.00 10.27 H new ATOM 1428 N LEU A 95 19.842 1.710 4.769 1.00 7.97 N ATOM 1429 CA LEU A 95 18.457 1.409 4.460 1.00 7.54 C ATOM 1430 C LEU A 95 18.266 1.491 2.949 1.00 6.99 C ATOM 1431 O LEU A 95 18.399 2.553 2.345 1.00 6.27 O ATOM 1432 CB LEU A 95 17.523 2.394 5.180 1.00 6.93 C ATOM 1433 CG LEU A 95 17.555 2.373 6.719 1.00 7.79 C ATOM 1434 CD1 LEU A 95 17.569 0.947 7.250 1.00 8.88 C ATOM 1435 CD2 LEU A 95 18.741 3.162 7.254 1.00 7.89 C ATOM 0 H LEU A 95 20.039 2.699 4.925 1.00 7.97 H new ATOM 0 HA LEU A 95 18.210 0.405 4.804 1.00 7.54 H new ATOM 0 HB2 LEU A 95 17.769 3.402 4.848 1.00 6.93 H new ATOM 0 HB3 LEU A 95 16.501 2.193 4.857 1.00 6.93 H new ATOM 0 HG LEU A 95 16.643 2.854 7.074 1.00 7.79 H new ATOM 0 HD11 LEU A 95 17.592 0.965 8.340 1.00 8.88 H new ATOM 0 HD12 LEU A 95 16.673 0.425 6.914 1.00 8.88 H new ATOM 0 HD13 LEU A 95 18.452 0.429 6.877 1.00 8.88 H new ATOM 0 HD21 LEU A 95 18.738 3.130 8.344 1.00 7.89 H new ATOM 0 HD22 LEU A 95 19.667 2.725 6.881 1.00 7.89 H new ATOM 0 HD23 LEU A 95 18.669 4.198 6.922 1.00 7.89 H new ATOM 1447 N LEU A 96 17.984 0.350 2.342 1.00 7.59 N ATOM 1448 CA LEU A 96 17.908 0.246 0.894 1.00 7.52 C ATOM 1449 C LEU A 96 16.523 0.600 0.397 1.00 6.76 C ATOM 1450 O LEU A 96 15.522 0.058 0.868 1.00 6.96 O ATOM 1451 CB LEU A 96 18.283 -1.170 0.441 1.00 8.83 C ATOM 1452 CG LEU A 96 19.767 -1.408 0.149 1.00 9.65 C ATOM 1453 CD1 LEU A 96 20.203 -0.616 -1.074 1.00 9.37 C ATOM 1454 CD2 LEU A 96 20.625 -1.045 1.353 1.00 9.78 C ATOM 0 H LEU A 96 17.802 -0.524 2.835 1.00 7.59 H new ATOM 0 HA LEU A 96 18.617 0.955 0.467 1.00 7.52 H new ATOM 0 HB2 LEU A 96 17.967 -1.873 1.212 1.00 8.83 H new ATOM 0 HB3 LEU A 96 17.713 -1.406 -0.458 1.00 8.83 H new ATOM 0 HG LEU A 96 19.905 -2.469 -0.057 1.00 9.65 H new ATOM 0 HD11 LEU A 96 21.260 -0.797 -1.267 1.00 9.37 H new ATOM 0 HD12 LEU A 96 19.618 -0.930 -1.938 1.00 9.37 H new ATOM 0 HD13 LEU A 96 20.044 0.447 -0.895 1.00 9.37 H new ATOM 0 HD21 LEU A 96 21.675 -1.223 1.119 1.00 9.78 H new ATOM 0 HD22 LEU A 96 20.482 0.007 1.598 1.00 9.78 H new ATOM 0 HD23 LEU A 96 20.334 -1.659 2.205 1.00 9.78 H new ATOM 1466 N VAL A 97 16.495 1.484 -0.588 1.00 6.13 N ATOM 1467 CA VAL A 97 15.261 1.984 -1.171 1.00 5.45 C ATOM 1468 C VAL A 97 15.469 2.208 -2.657 1.00 5.86 C ATOM 1469 O VAL A 97 16.603 2.320 -3.109 1.00 6.40 O ATOM 1470 CB VAL A 97 14.833 3.327 -0.536 1.00 4.23 C ATOM 1471 CG1 VAL A 97 14.469 3.156 0.933 1.00 4.19 C ATOM 1472 CG2 VAL A 97 15.938 4.357 -0.701 1.00 4.01 C ATOM 0 H VAL A 97 17.337 1.878 -1.009 1.00 6.13 H new ATOM 0 HA VAL A 97 14.481 1.245 -0.987 1.00 5.45 H new ATOM 0 HB VAL A 97 13.942 3.680 -1.055 1.00 4.23 H new ATOM 0 HG11 VAL A 97 14.173 4.119 1.349 1.00 4.19 H new ATOM 0 HG12 VAL A 97 13.642 2.452 1.023 1.00 4.19 H new ATOM 0 HG13 VAL A 97 15.332 2.775 1.480 1.00 4.19 H new ATOM 0 HG21 VAL A 97 15.627 5.300 -0.251 1.00 4.01 H new ATOM 0 HG22 VAL A 97 16.843 4.001 -0.209 1.00 4.01 H new ATOM 0 HG23 VAL A 97 16.137 4.510 -1.762 1.00 4.01 H new ATOM 1482 N PRO A 98 14.395 2.250 -3.445 1.00 5.92 N ATOM 1483 CA PRO A 98 14.474 2.653 -4.851 1.00 6.55 C ATOM 1484 C PRO A 98 15.028 4.072 -4.973 1.00 6.22 C ATOM 1485 O PRO A 98 14.653 4.956 -4.204 1.00 5.29 O ATOM 1486 CB PRO A 98 13.011 2.593 -5.310 1.00 6.53 C ATOM 1487 CG PRO A 98 12.368 1.634 -4.374 1.00 6.39 C ATOM 1488 CD PRO A 98 13.023 1.895 -3.050 1.00 5.71 C ATOM 0 HA PRO A 98 15.135 2.023 -5.447 1.00 6.55 H new ATOM 0 HB2 PRO A 98 12.539 3.574 -5.260 1.00 6.53 H new ATOM 0 HB3 PRO A 98 12.932 2.253 -6.343 1.00 6.53 H new ATOM 0 HG2 PRO A 98 11.291 1.794 -4.321 1.00 6.39 H new ATOM 0 HG3 PRO A 98 12.522 0.604 -4.695 1.00 6.39 H new ATOM 0 HD2 PRO A 98 12.534 2.703 -2.506 1.00 5.71 H new ATOM 0 HD3 PRO A 98 13.000 1.017 -2.404 1.00 5.71 H new ATOM 1496 N SER A 99 15.940 4.282 -5.918 1.00 7.21 N ATOM 1497 CA SER A 99 16.559 5.588 -6.117 1.00 7.37 C ATOM 1498 C SER A 99 15.519 6.675 -6.403 1.00 7.21 C ATOM 1499 O SER A 99 15.765 7.853 -6.146 1.00 7.21 O ATOM 1500 CB SER A 99 17.563 5.525 -7.269 1.00 8.73 C ATOM 1501 OG SER A 99 18.494 4.475 -7.073 1.00 9.29 O ATOM 0 H SER A 99 16.268 3.561 -6.560 1.00 7.21 H new ATOM 0 HA SER A 99 17.073 5.849 -5.192 1.00 7.37 H new ATOM 0 HB2 SER A 99 17.034 5.376 -8.210 1.00 8.73 H new ATOM 0 HB3 SER A 99 18.092 6.475 -7.348 1.00 8.73 H new ATOM 0 HG SER A 99 19.063 4.682 -6.302 1.00 9.29 H new ATOM 1507 N GLU A 100 14.363 6.287 -6.925 1.00 7.31 N ATOM 1508 CA GLU A 100 13.301 7.246 -7.204 1.00 7.41 C ATOM 1509 C GLU A 100 12.361 7.405 -6.011 1.00 6.33 C ATOM 1510 O GLU A 100 11.337 8.082 -6.109 1.00 6.56 O ATOM 1511 CB GLU A 100 12.513 6.822 -8.440 1.00 8.22 C ATOM 1512 CG GLU A 100 13.385 6.626 -9.667 1.00 9.47 C ATOM 1513 CD GLU A 100 12.616 6.061 -10.836 1.00 10.34 C ATOM 1514 OE1 GLU A 100 12.372 4.837 -10.854 1.00 10.86 O ATOM 1515 OE2 GLU A 100 12.269 6.831 -11.752 1.00 10.65 O1- ATOM 0 H GLU A 100 14.137 5.321 -7.163 1.00 7.31 H new ATOM 0 HA GLU A 100 13.770 8.212 -7.393 1.00 7.41 H new ATOM 0 HB2 GLU A 100 11.985 5.893 -8.225 1.00 8.22 H new ATOM 0 HB3 GLU A 100 11.756 7.576 -8.657 1.00 8.22 H new ATOM 0 HG2 GLU A 100 13.825 7.581 -9.953 1.00 9.47 H new ATOM 0 HG3 GLU A 100 14.209 5.957 -9.420 1.00 9.47 H new ATOM 1522 N ALA A 101 12.690 6.794 -4.889 1.00 5.34 N ATOM 1523 CA ALA A 101 11.850 6.906 -3.705 1.00 4.45 C ATOM 1524 C ALA A 101 12.147 8.198 -2.954 1.00 4.45 C ATOM 1525 O ALA A 101 11.234 8.894 -2.497 1.00 4.62 O ATOM 1526 CB ALA A 101 12.047 5.706 -2.793 1.00 3.75 C ATOM 0 H ALA A 101 13.524 6.219 -4.769 1.00 5.34 H new ATOM 0 HA ALA A 101 10.809 6.927 -4.028 1.00 4.45 H new ATOM 0 HB1 ALA A 101 11.411 5.809 -1.914 1.00 3.75 H new ATOM 0 HB2 ALA A 101 11.782 4.794 -3.329 1.00 3.75 H new ATOM 0 HB3 ALA A 101 13.090 5.653 -2.481 1.00 3.75 H new ATOM 1532 N LEU A 102 13.423 8.532 -2.869 1.00 4.73 N ATOM 1533 CA LEU A 102 13.862 9.655 -2.064 1.00 5.07 C ATOM 1534 C LEU A 102 13.905 10.949 -2.866 1.00 6.33 C ATOM 1535 O LEU A 102 13.916 10.930 -4.098 1.00 6.97 O ATOM 1536 CB LEU A 102 15.225 9.354 -1.425 1.00 4.90 C ATOM 1537 CG LEU A 102 16.328 8.873 -2.386 1.00 5.36 C ATOM 1538 CD1 LEU A 102 16.948 10.033 -3.148 1.00 6.64 C ATOM 1539 CD2 LEU A 102 17.402 8.119 -1.625 1.00 4.98 C ATOM 0 H LEU A 102 14.175 8.038 -3.350 1.00 4.73 H new ATOM 0 HA LEU A 102 13.130 9.799 -1.269 1.00 5.07 H new ATOM 0 HB2 LEU A 102 15.576 10.255 -0.923 1.00 4.90 H new ATOM 0 HB3 LEU A 102 15.084 8.595 -0.656 1.00 4.90 H new ATOM 0 HG LEU A 102 15.865 8.203 -3.110 1.00 5.36 H new ATOM 0 HD11 LEU A 102 17.722 9.657 -3.817 1.00 6.64 H new ATOM 0 HD12 LEU A 102 16.178 10.538 -3.732 1.00 6.64 H new ATOM 0 HD13 LEU A 102 17.389 10.738 -2.443 1.00 6.64 H new ATOM 0 HD21 LEU A 102 18.174 7.786 -2.319 1.00 4.98 H new ATOM 0 HD22 LEU A 102 17.846 8.775 -0.876 1.00 4.98 H new ATOM 0 HD23 LEU A 102 16.959 7.253 -1.132 1.00 4.98 H new ATOM 1551 N ILE A 103 13.926 12.066 -2.159 1.00 6.87 N ATOM 1552 CA ILE A 103 14.130 13.364 -2.775 1.00 8.18 C ATOM 1553 C ILE A 103 15.454 13.931 -2.325 1.00 8.75 C ATOM 1554 O ILE A 103 15.565 14.414 -1.208 1.00 8.67 O ATOM 1555 CB ILE A 103 13.059 14.402 -2.371 1.00 8.80 C ATOM 1556 CG1 ILE A 103 11.637 13.902 -2.667 1.00 8.52 C ATOM 1557 CG2 ILE A 103 13.341 15.740 -3.059 1.00 10.20 C ATOM 1558 CD1 ILE A 103 11.455 13.330 -4.057 1.00 8.14 C ATOM 0 H ILE A 103 13.803 12.098 -1.147 1.00 6.87 H new ATOM 0 HA ILE A 103 14.082 13.197 -3.851 1.00 8.18 H new ATOM 0 HB ILE A 103 13.117 14.549 -1.292 1.00 8.80 H new ATOM 0 HG12 ILE A 103 11.373 13.139 -1.935 1.00 8.52 H new ATOM 0 HG13 ILE A 103 10.939 14.728 -2.532 1.00 8.52 H new ATOM 0 HG21 ILE A 103 12.581 16.466 -2.769 1.00 10.20 H new ATOM 0 HG22 ILE A 103 14.324 16.104 -2.759 1.00 10.20 H new ATOM 0 HG23 ILE A 103 13.319 15.605 -4.140 1.00 10.20 H new ATOM 0 HD11 ILE A 103 10.424 13.001 -4.183 1.00 8.14 H new ATOM 0 HD12 ILE A 103 11.685 14.095 -4.798 1.00 8.14 H new ATOM 0 HD13 ILE A 103 12.126 12.481 -4.192 1.00 8.14 H new ATOM 1570 N ARG A 104 16.458 13.898 -3.156 1.00 9.50 N ATOM 1571 CA ARG A 104 17.679 14.558 -2.778 1.00 10.25 C ATOM 1572 C ARG A 104 17.807 15.891 -3.466 1.00 11.48 C ATOM 1573 O ARG A 104 17.561 16.030 -4.665 1.00 12.12 O ATOM 1574 CB ARG A 104 18.896 13.707 -2.974 1.00 10.50 C ATOM 1575 CG ARG A 104 18.987 13.069 -4.309 1.00 9.82 C ATOM 1576 CD ARG A 104 20.379 12.554 -4.469 1.00 9.98 C ATOM 1577 NE ARG A 104 20.544 11.736 -5.668 1.00 10.43 N ATOM 1578 CZ ARG A 104 21.265 10.614 -5.713 1.00 10.83 C ATOM 1579 NH1 ARG A 104 21.961 10.222 -4.651 1.00 10.83 N1+ ATOM 1580 NH2 ARG A 104 21.305 9.896 -6.826 1.00 11.42 N ATOM 0 H ARG A 104 16.461 13.440 -4.067 1.00 9.50 H new ATOM 0 HA ARG A 104 17.618 14.737 -1.704 1.00 10.25 H new ATOM 0 HB2 ARG A 104 19.783 14.321 -2.817 1.00 10.50 H new ATOM 0 HB3 ARG A 104 18.907 12.929 -2.211 1.00 10.50 H new ATOM 0 HG2 ARG A 104 18.266 12.256 -4.395 1.00 9.82 H new ATOM 0 HG3 ARG A 104 18.752 13.788 -5.094 1.00 9.82 H new ATOM 0 HD2 ARG A 104 21.071 13.395 -4.510 1.00 9.98 H new ATOM 0 HD3 ARG A 104 20.647 11.964 -3.592 1.00 9.98 H new ATOM 0 HE ARG A 104 20.080 12.041 -6.523 1.00 10.43 H new ATOM 0 HH11 ARG A 104 21.945 10.779 -3.797 1.00 10.83 H new ATOM 0 HH12 ARG A 104 22.511 9.364 -4.690 1.00 10.83 H new ATOM 0 HH21 ARG A 104 20.785 10.201 -7.649 1.00 11.42 H new ATOM 0 HH22 ARG A 104 21.856 9.038 -6.860 1.00 11.42 H new ATOM 1594 N THR A 105 18.177 16.863 -2.678 1.00 11.91 N ATOM 1595 CA THR A 105 18.191 18.239 -3.104 1.00 13.15 C ATOM 1596 C THR A 105 19.276 18.997 -2.348 1.00 13.72 C ATOM 1597 O THR A 105 19.357 18.918 -1.117 1.00 13.20 O ATOM 1598 CB THR A 105 16.807 18.909 -2.906 1.00 13.31 C ATOM 1599 OG1 THR A 105 16.874 20.301 -3.235 1.00 14.61 O ATOM 1600 CG2 THR A 105 16.302 18.738 -1.480 1.00 12.61 C ATOM 0 H THR A 105 18.480 16.723 -1.714 1.00 11.91 H new ATOM 0 HA THR A 105 18.412 18.269 -4.171 1.00 13.15 H new ATOM 0 HB THR A 105 16.104 18.414 -3.576 1.00 13.31 H new ATOM 0 HG1 THR A 105 15.993 20.710 -3.107 1.00 14.61 H new ATOM 0 HG21 THR A 105 15.330 19.220 -1.378 1.00 12.61 H new ATOM 0 HG22 THR A 105 16.206 17.676 -1.253 1.00 12.61 H new ATOM 0 HG23 THR A 105 17.008 19.195 -0.787 1.00 12.61 H new ATOM 1608 N GLY A 106 20.122 19.701 -3.079 1.00 14.84 N ATOM 1609 CA GLY A 106 21.207 20.427 -2.455 1.00 15.52 C ATOM 1610 C GLY A 106 22.216 19.500 -1.808 1.00 14.91 C ATOM 1611 O GLY A 106 22.955 18.795 -2.499 1.00 14.86 O ATOM 0 H GLY A 106 20.078 19.784 -4.095 1.00 14.84 H new ATOM 0 HA2 GLY A 106 21.708 21.042 -3.202 1.00 15.52 H new ATOM 0 HA3 GLY A 106 20.804 21.105 -1.703 1.00 15.52 H new ATOM 1615 N ALA A 107 22.249 19.495 -0.483 1.00 14.57 N ATOM 1616 CA ALA A 107 23.202 18.678 0.249 1.00 14.09 C ATOM 1617 C ALA A 107 22.512 17.693 1.185 1.00 12.88 C ATOM 1618 O ALA A 107 23.060 17.334 2.230 1.00 12.64 O ATOM 1619 CB ALA A 107 24.166 19.568 1.020 1.00 14.99 C ATOM 0 H ALA A 107 21.626 20.048 0.106 1.00 14.57 H new ATOM 0 HA ALA A 107 23.761 18.089 -0.477 1.00 14.09 H new ATOM 0 HB1 ALA A 107 24.877 18.947 1.566 1.00 14.99 H new ATOM 0 HB2 ALA A 107 24.705 20.210 0.323 1.00 14.99 H new ATOM 0 HB3 ALA A 107 23.608 20.185 1.724 1.00 14.99 H new ATOM 1625 N ARG A 108 21.316 17.249 0.817 1.00 12.19 N ATOM 1626 CA ARG A 108 20.558 16.341 1.671 1.00 11.09 C ATOM 1627 C ARG A 108 19.432 15.655 0.915 1.00 10.26 C ATOM 1628 O ARG A 108 19.189 15.943 -0.255 1.00 10.63 O ATOM 1629 CB ARG A 108 20.009 17.094 2.886 1.00 11.48 C ATOM 1630 CG ARG A 108 19.445 18.461 2.537 1.00 12.49 C ATOM 1631 CD ARG A 108 18.000 18.393 2.057 1.00 12.62 C ATOM 1632 NE ARG A 108 17.520 19.703 1.623 1.00 13.67 N ATOM 1633 CZ ARG A 108 16.287 20.164 1.831 1.00 14.22 C ATOM 1634 NH1 ARG A 108 15.394 19.431 2.483 1.00 13.92 N1+ ATOM 1635 NH2 ARG A 108 15.947 21.366 1.380 1.00 15.20 N ATOM 0 H ARG A 108 20.854 17.499 -0.057 1.00 12.19 H new ATOM 0 HA ARG A 108 21.240 15.562 2.011 1.00 11.09 H new ATOM 0 HB2 ARG A 108 19.228 16.495 3.355 1.00 11.48 H new ATOM 0 HB3 ARG A 108 20.804 17.213 3.622 1.00 11.48 H new ATOM 0 HG2 ARG A 108 19.503 19.108 3.412 1.00 12.49 H new ATOM 0 HG3 ARG A 108 20.061 18.917 1.762 1.00 12.49 H new ATOM 0 HD2 ARG A 108 17.922 17.684 1.233 1.00 12.62 H new ATOM 0 HD3 ARG A 108 17.365 18.019 2.860 1.00 12.62 H new ATOM 0 HE ARG A 108 18.175 20.307 1.126 1.00 13.67 H new ATOM 0 HH11 ARG A 108 15.649 18.506 2.830 1.00 13.92 H new ATOM 0 HH12 ARG A 108 14.453 19.792 2.637 1.00 13.92 H new ATOM 0 HH21 ARG A 108 16.629 21.933 0.876 1.00 15.20 H new ATOM 0 HH22 ARG A 108 15.004 21.722 1.537 1.00 15.20 H new ATOM 1649 N THR A 109 18.736 14.766 1.605 1.00 9.26 N ATOM 1650 CA THR A 109 17.680 13.978 0.999 1.00 8.38 C ATOM 1651 C THR A 109 16.426 13.993 1.876 1.00 8.15 C ATOM 1652 O THR A 109 16.496 14.273 3.073 1.00 8.42 O ATOM 1653 CB THR A 109 18.157 12.526 0.781 1.00 7.38 C ATOM 1654 OG1 THR A 109 19.489 12.533 0.253 1.00 7.95 O ATOM 1655 CG2 THR A 109 17.249 11.778 -0.180 1.00 6.64 C ATOM 0 H THR A 109 18.887 14.572 2.595 1.00 9.26 H new ATOM 0 HA THR A 109 17.433 14.418 0.033 1.00 8.38 H new ATOM 0 HB THR A 109 18.131 12.018 1.745 1.00 7.38 H new ATOM 0 HG1 THR A 109 20.115 12.219 0.939 1.00 7.95 H new ATOM 0 HG21 THR A 109 17.616 10.760 -0.309 1.00 6.64 H new ATOM 0 HG22 THR A 109 16.237 11.751 0.223 1.00 6.64 H new ATOM 0 HG23 THR A 109 17.242 12.286 -1.144 1.00 6.64 H new ATOM 1663 N ILE A 110 15.282 13.743 1.258 1.00 7.89 N ATOM 1664 CA ILE A 110 14.010 13.651 1.956 1.00 7.87 C ATOM 1665 C ILE A 110 13.307 12.357 1.554 1.00 6.75 C ATOM 1666 O ILE A 110 13.487 11.873 0.439 1.00 6.24 O ATOM 1667 CB ILE A 110 13.083 14.844 1.617 1.00 9.02 C ATOM 1668 CG1 ILE A 110 13.773 16.187 1.863 1.00 10.20 C ATOM 1669 CG2 ILE A 110 11.801 14.770 2.424 1.00 9.31 C ATOM 1670 CD1 ILE A 110 14.160 16.426 3.307 1.00 10.55 C ATOM 0 H ILE A 110 15.210 13.597 0.251 1.00 7.89 H new ATOM 0 HA ILE A 110 14.215 13.666 3.026 1.00 7.87 H new ATOM 0 HB ILE A 110 12.845 14.776 0.555 1.00 9.02 H new ATOM 0 HG12 ILE A 110 14.668 16.242 1.244 1.00 10.20 H new ATOM 0 HG13 ILE A 110 13.110 16.989 1.538 1.00 10.20 H new ATOM 0 HG21 ILE A 110 11.163 15.617 2.172 1.00 9.31 H new ATOM 0 HG22 ILE A 110 11.279 13.841 2.194 1.00 9.31 H new ATOM 0 HG23 ILE A 110 12.038 14.799 3.487 1.00 9.31 H new ATOM 0 HD11 ILE A 110 14.643 17.399 3.398 1.00 10.55 H new ATOM 0 HD12 ILE A 110 13.267 16.405 3.931 1.00 10.55 H new ATOM 0 HD13 ILE A 110 14.849 15.647 3.633 1.00 10.55 H new ATOM 1682 N ALA A 111 12.523 11.795 2.455 1.00 6.58 N ATOM 1683 CA ALA A 111 11.762 10.592 2.159 1.00 5.74 C ATOM 1684 C ALA A 111 10.307 10.781 2.529 1.00 6.51 C ATOM 1685 O ALA A 111 9.994 11.405 3.538 1.00 7.39 O ATOM 1686 CB ALA A 111 12.325 9.393 2.896 1.00 5.00 C ATOM 0 H ALA A 111 12.395 12.153 3.402 1.00 6.58 H new ATOM 0 HA ALA A 111 11.839 10.407 1.088 1.00 5.74 H new ATOM 0 HB1 ALA A 111 11.736 8.508 2.655 1.00 5.00 H new ATOM 0 HB2 ALA A 111 13.360 9.233 2.594 1.00 5.00 H new ATOM 0 HB3 ALA A 111 12.285 9.574 3.970 1.00 5.00 H new ATOM 1692 N MET A 112 9.425 10.241 1.711 1.00 6.37 N ATOM 1693 CA MET A 112 7.998 10.325 1.961 1.00 7.19 C ATOM 1694 C MET A 112 7.493 8.993 2.496 1.00 6.90 C ATOM 1695 O MET A 112 7.263 8.061 1.728 1.00 6.29 O ATOM 1696 CB MET A 112 7.271 10.659 0.660 1.00 7.48 C ATOM 1697 CG MET A 112 7.722 11.956 0.012 1.00 8.19 C ATOM 1698 SD MET A 112 7.572 13.364 1.120 1.00 8.85 S ATOM 1699 CE MET A 112 5.911 13.106 1.730 1.00 8.24 C ATOM 0 H MET A 112 9.674 9.735 0.861 1.00 6.37 H new ATOM 0 HA MET A 112 7.806 11.106 2.696 1.00 7.19 H new ATOM 0 HB2 MET A 112 7.419 9.842 -0.046 1.00 7.48 H new ATOM 0 HB3 MET A 112 6.201 10.718 0.859 1.00 7.48 H new ATOM 0 HG2 MET A 112 8.759 11.858 -0.308 1.00 8.19 H new ATOM 0 HG3 MET A 112 7.128 12.137 -0.884 1.00 8.19 H new ATOM 0 HE1 MET A 112 5.530 14.036 2.152 1.00 8.24 H new ATOM 0 HE2 MET A 112 5.267 12.789 0.910 1.00 8.24 H new ATOM 0 HE3 MET A 112 5.922 12.335 2.501 1.00 8.24 H new ATOM 1709 N VAL A 113 7.320 8.905 3.809 1.00 7.60 N ATOM 1710 CA VAL A 113 6.936 7.653 4.441 1.00 7.75 C ATOM 1711 C VAL A 113 5.429 7.432 4.346 1.00 8.59 C ATOM 1712 O VAL A 113 4.637 8.352 4.567 1.00 9.48 O ATOM 1713 CB VAL A 113 7.391 7.604 5.919 1.00 8.42 C ATOM 1714 CG1 VAL A 113 6.713 8.684 6.735 1.00 9.69 C ATOM 1715 CG2 VAL A 113 7.135 6.236 6.524 1.00 8.72 C ATOM 0 H VAL A 113 7.440 9.686 4.455 1.00 7.60 H new ATOM 0 HA VAL A 113 7.440 6.850 3.903 1.00 7.75 H new ATOM 0 HB VAL A 113 8.465 7.788 5.940 1.00 8.42 H new ATOM 0 HG11 VAL A 113 7.052 8.625 7.769 1.00 9.69 H new ATOM 0 HG12 VAL A 113 6.966 9.662 6.325 1.00 9.69 H new ATOM 0 HG13 VAL A 113 5.633 8.543 6.699 1.00 9.69 H new ATOM 0 HG21 VAL A 113 7.464 6.230 7.563 1.00 8.72 H new ATOM 0 HG22 VAL A 113 6.069 6.012 6.480 1.00 8.72 H new ATOM 0 HG23 VAL A 113 7.687 5.481 5.964 1.00 8.72 H new ATOM 1725 N ALA A 114 5.049 6.210 4.005 1.00 8.43 N ATOM 1726 CA ALA A 114 3.648 5.854 3.843 1.00 9.31 C ATOM 1727 C ALA A 114 2.995 5.594 5.190 1.00 10.44 C ATOM 1728 O ALA A 114 3.070 4.487 5.733 1.00 10.70 O ATOM 1729 CB ALA A 114 3.509 4.641 2.934 1.00 8.96 C ATOM 0 H ALA A 114 5.698 5.442 3.834 1.00 8.43 H new ATOM 0 HA ALA A 114 3.134 6.695 3.377 1.00 9.31 H new ATOM 0 HB1 ALA A 114 2.455 4.388 2.823 1.00 8.96 H new ATOM 0 HB2 ALA A 114 3.932 4.869 1.956 1.00 8.96 H new ATOM 0 HB3 ALA A 114 4.041 3.796 3.371 1.00 8.96 H new ATOM 1735 N LYS A 115 2.385 6.630 5.739 1.00 11.26 N ATOM 1736 CA LYS A 115 1.657 6.514 6.991 1.00 12.43 C ATOM 1737 C LYS A 115 0.203 6.131 6.753 1.00 13.26 C ATOM 1738 O LYS A 115 -0.331 6.321 5.660 1.00 13.19 O ATOM 1739 CB LYS A 115 1.707 7.829 7.767 1.00 13.13 C ATOM 1740 CG LYS A 115 3.035 8.096 8.446 1.00 13.19 C ATOM 1741 CD LYS A 115 3.086 9.507 9.002 1.00 14.08 C ATOM 1742 CE LYS A 115 4.223 9.682 9.994 1.00 14.36 C ATOM 1743 NZ LYS A 115 3.952 8.974 11.274 1.00 14.88 N1+ ATOM 0 H LYS A 115 2.380 7.566 5.335 1.00 11.26 H new ATOM 0 HA LYS A 115 2.138 5.728 7.573 1.00 12.43 H new ATOM 0 HB2 LYS A 115 1.489 8.650 7.084 1.00 13.13 H new ATOM 0 HB3 LYS A 115 0.920 7.824 8.521 1.00 13.13 H new ATOM 0 HG2 LYS A 115 3.187 7.378 9.252 1.00 13.19 H new ATOM 0 HG3 LYS A 115 3.847 7.952 7.734 1.00 13.19 H new ATOM 0 HD2 LYS A 115 3.206 10.216 8.183 1.00 14.08 H new ATOM 0 HD3 LYS A 115 2.139 9.740 9.489 1.00 14.08 H new ATOM 0 HE2 LYS A 115 5.148 9.304 9.558 1.00 14.36 H new ATOM 0 HE3 LYS A 115 4.374 10.743 10.190 1.00 14.36 H new ATOM 0 HZ1 LYS A 115 4.525 9.396 12.032 1.00 14.88 H new ATOM 0 HZ2 LYS A 115 2.944 9.062 11.513 1.00 14.88 H new ATOM 0 HZ3 LYS A 115 4.197 7.968 11.173 1.00 14.88 H new ATOM 1757 N GLY A 116 -0.438 5.615 7.789 1.00 14.15 N ATOM 1758 CA GLY A 116 -1.865 5.361 7.730 1.00 15.10 C ATOM 1759 C GLY A 116 -2.640 6.517 8.324 1.00 16.02 C ATOM 1760 O GLY A 116 -3.774 6.364 8.773 1.00 16.92 O ATOM 0 H GLY A 116 0.004 5.366 8.674 1.00 14.15 H new ATOM 0 HA2 GLY A 116 -2.169 5.207 6.695 1.00 15.10 H new ATOM 0 HA3 GLY A 116 -2.099 4.444 8.271 1.00 15.10 H new ATOM 1764 N GLU A 117 -2.013 7.685 8.321 1.00 15.88 N ATOM 1765 CA GLU A 117 -2.587 8.876 8.929 1.00 16.82 C ATOM 1766 C GLU A 117 -3.270 9.752 7.883 1.00 16.56 C ATOM 1767 O GLU A 117 -3.476 10.948 8.094 1.00 17.25 O ATOM 1768 CB GLU A 117 -1.507 9.659 9.675 1.00 17.04 C ATOM 1769 CG GLU A 117 -0.915 8.873 10.831 1.00 17.42 C ATOM 1770 CD GLU A 117 0.007 9.698 11.704 1.00 17.95 C ATOM 1771 OE1 GLU A 117 -0.499 10.482 12.533 1.00 18.56 O ATOM 1772 OE2 GLU A 117 1.242 9.550 11.582 1.00 17.82 O1- ATOM 0 H GLU A 117 -1.096 7.833 7.899 1.00 15.88 H new ATOM 0 HA GLU A 117 -3.347 8.564 9.645 1.00 16.82 H new ATOM 0 HB2 GLU A 117 -0.713 9.930 8.979 1.00 17.04 H new ATOM 0 HB3 GLU A 117 -1.932 10.589 10.052 1.00 17.04 H new ATOM 0 HG2 GLU A 117 -1.724 8.475 11.443 1.00 17.42 H new ATOM 0 HG3 GLU A 117 -0.364 8.019 10.437 1.00 17.42 H new ATOM 1779 N GLY A 118 -3.590 9.156 6.742 1.00 15.62 N ATOM 1780 CA GLY A 118 -4.306 9.870 5.703 1.00 15.41 C ATOM 1781 C GLY A 118 -3.384 10.641 4.782 1.00 14.71 C ATOM 1782 O GLY A 118 -3.827 11.489 4.013 1.00 14.71 O ATOM 0 H GLY A 118 -3.365 8.187 6.517 1.00 15.62 H new ATOM 0 HA2 GLY A 118 -4.889 9.160 5.116 1.00 15.41 H new ATOM 0 HA3 GLY A 118 -5.013 10.560 6.163 1.00 15.41 H new ATOM 1786 N GLY A 119 -2.097 10.348 4.863 1.00 14.19 N ATOM 1787 CA GLY A 119 -1.129 11.020 4.033 1.00 13.68 C ATOM 1788 C GLY A 119 0.267 10.537 4.326 1.00 12.53 C ATOM 1789 O GLY A 119 0.453 9.622 5.131 1.00 12.20 O ATOM 0 H GLY A 119 -1.705 9.650 5.495 1.00 14.19 H new ATOM 0 HA2 GLY A 119 -1.364 10.847 2.983 1.00 13.68 H new ATOM 0 HA3 GLY A 119 -1.187 12.096 4.200 1.00 13.68 H new ATOM 1793 N PHE A 120 1.251 11.144 3.686 1.00 12.03 N ATOM 1794 CA PHE A 120 2.631 10.752 3.896 1.00 10.94 C ATOM 1795 C PHE A 120 3.328 11.711 4.849 1.00 11.32 C ATOM 1796 O PHE A 120 2.736 12.691 5.305 1.00 11.97 O ATOM 1797 CB PHE A 120 3.390 10.676 2.569 1.00 10.11 C ATOM 1798 CG PHE A 120 2.778 9.725 1.581 1.00 9.82 C ATOM 1799 CD1 PHE A 120 3.156 8.394 1.553 1.00 9.99 C ATOM 1800 CD2 PHE A 120 1.829 10.166 0.679 1.00 9.56 C ATOM 1801 CE1 PHE A 120 2.601 7.521 0.639 1.00 9.89 C ATOM 1802 CE2 PHE A 120 1.269 9.301 -0.237 1.00 9.49 C ATOM 1803 CZ PHE A 120 1.637 7.959 -0.233 1.00 9.66 C ATOM 0 H PHE A 120 1.120 11.906 3.021 1.00 12.03 H new ATOM 0 HA PHE A 120 2.628 9.759 4.345 1.00 10.94 H new ATOM 0 HB2 PHE A 120 3.431 11.671 2.126 1.00 10.11 H new ATOM 0 HB3 PHE A 120 4.418 10.372 2.765 1.00 10.11 H new ATOM 0 HD1 PHE A 120 3.894 8.034 2.255 1.00 9.99 H new ATOM 0 HD2 PHE A 120 1.522 11.201 0.692 1.00 9.56 H new ATOM 0 HE1 PHE A 120 2.926 6.492 0.610 1.00 9.89 H new ATOM 0 HE2 PHE A 120 0.548 9.663 -0.955 1.00 9.49 H new ATOM 0 HZ PHE A 120 1.166 7.265 -0.913 1.00 9.66 H new ATOM 1813 N ASP A 121 4.585 11.432 5.132 1.00 11.05 N ATOM 1814 CA ASP A 121 5.394 12.291 5.983 1.00 11.56 C ATOM 1815 C ASP A 121 6.802 12.380 5.429 1.00 10.58 C ATOM 1816 O ASP A 121 7.465 11.370 5.194 1.00 9.55 O ATOM 1817 CB ASP A 121 5.416 11.740 7.399 1.00 12.35 C ATOM 1818 CG ASP A 121 6.420 12.439 8.302 1.00 13.39 C ATOM 1819 OD1 ASP A 121 6.107 13.530 8.824 1.00 13.91 O1- ATOM 1820 OD2 ASP A 121 7.538 11.910 8.474 1.00 13.79 O ATOM 0 H ASP A 121 5.075 10.609 4.782 1.00 11.05 H new ATOM 0 HA ASP A 121 4.961 13.291 6.004 1.00 11.56 H new ATOM 0 HB2 ASP A 121 4.421 11.834 7.833 1.00 12.35 H new ATOM 0 HB3 ASP A 121 5.649 10.676 7.364 1.00 12.35 H new ATOM 1825 N PRO A 122 7.240 13.604 5.155 1.00 10.99 N ATOM 1826 CA PRO A 122 8.547 13.874 4.594 1.00 10.31 C ATOM 1827 C PRO A 122 9.619 14.007 5.661 1.00 10.40 C ATOM 1828 O PRO A 122 9.624 14.958 6.450 1.00 11.44 O ATOM 1829 CB PRO A 122 8.335 15.193 3.860 1.00 11.13 C ATOM 1830 CG PRO A 122 7.232 15.885 4.603 1.00 12.35 C ATOM 1831 CD PRO A 122 6.466 14.828 5.366 1.00 12.29 C ATOM 0 HA PRO A 122 8.901 13.067 3.953 1.00 10.31 H new ATOM 0 HB2 PRO A 122 9.245 15.793 3.858 1.00 11.13 H new ATOM 0 HB3 PRO A 122 8.062 15.024 2.818 1.00 11.13 H new ATOM 0 HG2 PRO A 122 7.639 16.631 5.285 1.00 12.35 H new ATOM 0 HG3 PRO A 122 6.574 16.411 3.911 1.00 12.35 H new ATOM 0 HD2 PRO A 122 6.392 15.076 6.425 1.00 12.29 H new ATOM 0 HD3 PRO A 122 5.448 14.725 4.991 1.00 12.29 H new ATOM 1839 N VAL A 123 10.537 13.066 5.652 1.00 9.36 N ATOM 1840 CA VAL A 123 11.598 13.019 6.634 1.00 9.43 C ATOM 1841 C VAL A 123 12.900 13.506 6.006 1.00 9.05 C ATOM 1842 O VAL A 123 13.169 13.239 4.833 1.00 8.18 O ATOM 1843 CB VAL A 123 11.794 11.572 7.160 1.00 8.79 C ATOM 1844 CG1 VAL A 123 12.451 10.704 6.114 1.00 7.90 C ATOM 1845 CG2 VAL A 123 12.588 11.564 8.460 1.00 9.39 C ATOM 0 H VAL A 123 10.569 12.313 4.965 1.00 9.36 H new ATOM 0 HA VAL A 123 11.324 13.664 7.469 1.00 9.43 H new ATOM 0 HB VAL A 123 10.810 11.154 7.372 1.00 8.79 H new ATOM 0 HG11 VAL A 123 12.578 9.695 6.506 1.00 7.90 H new ATOM 0 HG12 VAL A 123 11.824 10.671 5.223 1.00 7.90 H new ATOM 0 HG13 VAL A 123 13.426 11.119 5.857 1.00 7.90 H new ATOM 0 HG21 VAL A 123 12.710 10.537 8.805 1.00 9.39 H new ATOM 0 HG22 VAL A 123 13.569 12.009 8.290 1.00 9.39 H new ATOM 0 HG23 VAL A 123 12.054 12.140 9.216 1.00 9.39 H new ATOM 1855 N GLU A 124 13.674 14.266 6.757 1.00 9.85 N ATOM 1856 CA GLU A 124 15.010 14.625 6.328 1.00 9.72 C ATOM 1857 C GLU A 124 15.932 13.432 6.521 1.00 8.90 C ATOM 1858 O GLU A 124 16.070 12.912 7.628 1.00 9.21 O ATOM 1859 CB GLU A 124 15.533 15.832 7.104 1.00 10.96 C ATOM 1860 CG GLU A 124 16.907 16.289 6.646 1.00 11.07 C ATOM 1861 CD GLU A 124 17.410 17.487 7.416 1.00 12.34 C ATOM 1862 OE1 GLU A 124 17.922 17.303 8.537 1.00 12.83 O ATOM 1863 OE2 GLU A 124 17.298 18.617 6.899 1.00 12.93 O1- ATOM 0 H GLU A 124 13.401 14.645 7.664 1.00 9.85 H new ATOM 0 HA GLU A 124 14.980 14.899 5.274 1.00 9.72 H new ATOM 0 HB2 GLU A 124 14.829 16.657 6.997 1.00 10.96 H new ATOM 0 HB3 GLU A 124 15.575 15.584 8.164 1.00 10.96 H new ATOM 0 HG2 GLU A 124 17.614 15.467 6.758 1.00 11.07 H new ATOM 0 HG3 GLU A 124 16.869 16.534 5.585 1.00 11.07 H new ATOM 1870 N VAL A 125 16.534 12.984 5.438 1.00 8.03 N ATOM 1871 CA VAL A 125 17.334 11.773 5.452 1.00 7.30 C ATOM 1872 C VAL A 125 18.686 11.987 4.782 1.00 7.38 C ATOM 1873 O VAL A 125 18.879 12.931 4.015 1.00 7.84 O ATOM 1874 CB VAL A 125 16.561 10.603 4.775 1.00 6.19 C ATOM 1875 CG1 VAL A 125 15.419 11.127 3.940 1.00 6.15 C ATOM 1876 CG2 VAL A 125 17.434 9.745 3.900 1.00 5.62 C ATOM 0 H VAL A 125 16.484 13.444 4.529 1.00 8.03 H new ATOM 0 HA VAL A 125 17.523 11.510 6.493 1.00 7.30 H new ATOM 0 HB VAL A 125 16.188 9.986 5.592 1.00 6.19 H new ATOM 0 HG11 VAL A 125 14.894 10.292 3.477 1.00 6.15 H new ATOM 0 HG12 VAL A 125 14.729 11.683 4.575 1.00 6.15 H new ATOM 0 HG13 VAL A 125 15.808 11.786 3.164 1.00 6.15 H new ATOM 0 HG21 VAL A 125 16.835 8.948 3.458 1.00 5.62 H new ATOM 0 HG22 VAL A 125 17.867 10.356 3.108 1.00 5.62 H new ATOM 0 HG23 VAL A 125 18.233 9.309 4.499 1.00 5.62 H new ATOM 1886 N LYS A 126 19.620 11.115 5.111 1.00 7.21 N ATOM 1887 CA LYS A 126 20.909 11.097 4.473 1.00 7.44 C ATOM 1888 C LYS A 126 20.962 9.954 3.474 1.00 6.77 C ATOM 1889 O LYS A 126 20.666 8.812 3.822 1.00 6.29 O ATOM 1890 CB LYS A 126 22.019 10.948 5.497 1.00 8.03 C ATOM 1891 CG LYS A 126 23.396 10.914 4.869 1.00 8.46 C ATOM 1892 CD LYS A 126 24.476 10.678 5.899 1.00 9.06 C ATOM 1893 CE LYS A 126 24.523 11.787 6.941 1.00 9.72 C ATOM 1894 NZ LYS A 126 25.550 11.527 7.984 1.00 10.39 N1+ ATOM 0 H LYS A 126 19.500 10.401 5.830 1.00 7.21 H new ATOM 0 HA LYS A 126 21.056 12.044 3.953 1.00 7.44 H new ATOM 0 HB2 LYS A 126 21.968 11.776 6.205 1.00 8.03 H new ATOM 0 HB3 LYS A 126 21.862 10.032 6.066 1.00 8.03 H new ATOM 0 HG2 LYS A 126 23.433 10.126 4.116 1.00 8.46 H new ATOM 0 HG3 LYS A 126 23.584 11.856 4.354 1.00 8.46 H new ATOM 0 HD2 LYS A 126 24.302 9.723 6.394 1.00 9.06 H new ATOM 0 HD3 LYS A 126 25.443 10.608 5.401 1.00 9.06 H new ATOM 0 HE2 LYS A 126 24.737 12.737 6.451 1.00 9.72 H new ATOM 0 HE3 LYS A 126 23.545 11.884 7.412 1.00 9.72 H new ATOM 0 HZ1 LYS A 126 25.804 12.421 8.451 1.00 10.39 H new ATOM 0 HZ2 LYS A 126 25.169 10.864 8.689 1.00 10.39 H new ATOM 0 HZ3 LYS A 126 26.396 11.114 7.543 1.00 10.39 H new ATOM 1908 N ALA A 127 21.342 10.250 2.249 1.00 7.04 N ATOM 1909 CA ALA A 127 21.348 9.248 1.196 1.00 6.78 C ATOM 1910 C ALA A 127 22.546 9.409 0.279 1.00 7.69 C ATOM 1911 O ALA A 127 22.610 10.369 -0.483 1.00 8.30 O ATOM 1912 CB ALA A 127 20.071 9.340 0.384 1.00 6.34 C ATOM 0 H ALA A 127 21.652 11.176 1.954 1.00 7.04 H new ATOM 0 HA ALA A 127 21.413 8.269 1.671 1.00 6.78 H new ATOM 0 HB1 ALA A 127 20.085 8.585 -0.402 1.00 6.34 H new ATOM 0 HB2 ALA A 127 19.213 9.170 1.035 1.00 6.34 H new ATOM 0 HB3 ALA A 127 19.996 10.330 -0.065 1.00 6.34 H new ATOM 1918 N GLY A 128 23.516 8.511 0.352 1.00 8.00 N ATOM 1919 CA GLY A 128 24.527 8.518 -0.681 1.00 8.94 C ATOM 1920 C GLY A 128 25.201 7.183 -0.890 1.00 9.46 C ATOM 1921 O GLY A 128 26.364 7.002 -0.524 1.00 10.10 O ATOM 0 H GLY A 128 23.621 7.803 1.079 1.00 8.00 H new ATOM 0 HA2 GLY A 128 24.071 8.834 -1.619 1.00 8.94 H new ATOM 0 HA3 GLY A 128 25.284 9.260 -0.429 1.00 8.94 H new ATOM 1925 N ALA A 129 24.464 6.243 -1.455 1.00 9.37 N ATOM 1926 CA ALA A 129 25.027 5.111 -2.154 1.00 10.27 C ATOM 1927 C ALA A 129 24.048 4.674 -3.237 1.00 10.12 C ATOM 1928 O ALA A 129 22.873 5.044 -3.180 1.00 9.18 O ATOM 1929 CB ALA A 129 25.374 3.987 -1.207 1.00 10.61 C ATOM 0 H ALA A 129 23.444 6.248 -1.439 1.00 9.37 H new ATOM 0 HA ALA A 129 25.967 5.401 -2.623 1.00 10.27 H new ATOM 0 HB1 ALA A 129 25.795 3.154 -1.770 1.00 10.61 H new ATOM 0 HB2 ALA A 129 26.104 4.338 -0.478 1.00 10.61 H new ATOM 0 HB3 ALA A 129 24.474 3.657 -0.689 1.00 10.61 H new ATOM 1935 N THR A 130 24.497 3.895 -4.199 1.00 11.12 N ATOM 1936 CA THR A 130 23.592 3.323 -5.182 1.00 11.19 C ATOM 1937 C THR A 130 23.874 1.838 -5.313 1.00 12.15 C ATOM 1938 O THR A 130 25.033 1.421 -5.335 1.00 13.17 O ATOM 1939 CB THR A 130 23.736 3.999 -6.557 1.00 11.72 C ATOM 1940 OG1 THR A 130 23.714 5.425 -6.406 1.00 11.18 O ATOM 1941 CG2 THR A 130 22.619 3.573 -7.496 1.00 11.68 C ATOM 0 H THR A 130 25.477 3.643 -4.324 1.00 11.12 H new ATOM 0 HA THR A 130 22.571 3.488 -4.838 1.00 11.19 H new ATOM 0 HB THR A 130 24.688 3.689 -6.987 1.00 11.72 H new ATOM 0 HG1 THR A 130 23.808 5.848 -7.285 1.00 11.18 H new ATOM 0 HG21 THR A 130 22.746 4.066 -8.460 1.00 11.68 H new ATOM 0 HG22 THR A 130 22.652 2.492 -7.634 1.00 11.68 H new ATOM 0 HG23 THR A 130 21.657 3.855 -7.068 1.00 11.68 H new ATOM 1949 N ALA A 131 22.822 1.041 -5.375 1.00 11.92 N ATOM 1950 CA ALA A 131 22.978 -0.394 -5.394 1.00 12.91 C ATOM 1951 C ALA A 131 21.959 -1.067 -6.311 1.00 12.98 C ATOM 1952 O ALA A 131 20.853 -1.405 -5.887 1.00 12.19 O ATOM 1953 CB ALA A 131 22.879 -0.940 -3.980 1.00 12.87 C ATOM 0 H ALA A 131 21.856 1.366 -5.413 1.00 11.92 H new ATOM 0 HA ALA A 131 23.965 -0.622 -5.797 1.00 12.91 H new ATOM 0 HB1 ALA A 131 22.997 -2.023 -3.999 1.00 12.87 H new ATOM 0 HB2 ALA A 131 23.664 -0.500 -3.364 1.00 12.87 H new ATOM 0 HB3 ALA A 131 21.905 -0.689 -3.560 1.00 12.87 H new ATOM 1959 N GLY A 132 22.342 -1.238 -7.572 1.00 14.01 N ATOM 1960 CA GLY A 132 21.532 -1.988 -8.517 1.00 14.34 C ATOM 1961 C GLY A 132 20.161 -1.386 -8.745 1.00 13.47 C ATOM 1962 O GLY A 132 19.145 -2.029 -8.478 1.00 13.23 O ATOM 0 H GLY A 132 23.209 -0.866 -7.960 1.00 14.01 H new ATOM 0 HA2 GLY A 132 22.058 -2.046 -9.470 1.00 14.34 H new ATOM 0 HA3 GLY A 132 21.416 -3.009 -8.155 1.00 14.34 H new ATOM 1966 N GLY A 133 20.127 -0.152 -9.227 1.00 13.12 N ATOM 1967 CA GLY A 133 18.859 0.499 -9.509 1.00 12.40 C ATOM 1968 C GLY A 133 18.145 0.943 -8.249 1.00 10.98 C ATOM 1969 O GLY A 133 16.965 1.291 -8.279 1.00 10.30 O ATOM 0 H GLY A 133 20.953 0.412 -9.429 1.00 13.12 H new ATOM 0 HA2 GLY A 133 19.032 1.364 -10.149 1.00 12.40 H new ATOM 0 HA3 GLY A 133 18.218 -0.185 -10.065 1.00 12.40 H new ATOM 1973 N GLN A 134 18.863 0.925 -7.139 1.00 10.62 N ATOM 1974 CA GLN A 134 18.321 1.356 -5.864 1.00 9.33 C ATOM 1975 C GLN A 134 19.331 2.248 -5.179 1.00 8.96 C ATOM 1976 O GLN A 134 20.491 2.280 -5.577 1.00 9.81 O ATOM 1977 CB GLN A 134 17.976 0.161 -4.966 1.00 9.38 C ATOM 1978 CG GLN A 134 16.815 -0.678 -5.478 1.00 9.89 C ATOM 1979 CD GLN A 134 16.468 -1.842 -4.565 1.00 10.08 C ATOM 1980 OE1 GLN A 134 16.686 -1.677 -3.269 1.00 10.39 O flip ATOM 1981 NE2 GLN A 134 15.999 -2.883 -5.026 1.00 10.17 N flip ATOM 0 H GLN A 134 19.833 0.613 -7.097 1.00 10.62 H new ATOM 0 HA GLN A 134 17.397 1.906 -6.045 1.00 9.33 H new ATOM 0 HB2 GLN A 134 18.856 -0.475 -4.869 1.00 9.38 H new ATOM 0 HB3 GLN A 134 17.735 0.526 -3.968 1.00 9.38 H new ATOM 0 HG2 GLN A 134 15.938 -0.041 -5.593 1.00 9.89 H new ATOM 0 HG3 GLN A 134 17.062 -1.062 -6.468 1.00 9.89 H new ATOM 0 HE21 GLN A 134 15.845 -2.972 -6.030 1.00 10.17 H new ATOM 0 HE22 GLN A 134 15.764 -3.656 -4.403 1.00 10.17 H new ATOM 1990 N SER A 135 18.914 2.963 -4.162 1.00 7.82 N ATOM 1991 CA SER A 135 19.819 3.834 -3.457 1.00 7.56 C ATOM 1992 C SER A 135 19.960 3.403 -2.009 1.00 7.12 C ATOM 1993 O SER A 135 19.146 2.630 -1.497 1.00 6.78 O ATOM 1994 CB SER A 135 19.378 5.292 -3.556 1.00 6.91 C ATOM 1995 OG SER A 135 19.525 5.777 -4.880 1.00 6.85 O ATOM 0 H SER A 135 17.958 2.958 -3.806 1.00 7.82 H new ATOM 0 HA SER A 135 20.797 3.755 -3.932 1.00 7.56 H new ATOM 0 HB2 SER A 135 18.337 5.383 -3.245 1.00 6.91 H new ATOM 0 HB3 SER A 135 19.970 5.902 -2.873 1.00 6.91 H new ATOM 0 HG SER A 135 19.235 6.712 -4.920 1.00 6.85 H new ATOM 2001 N GLU A 136 20.991 3.892 -1.356 1.00 7.39 N ATOM 2002 CA GLU A 136 21.225 3.566 0.039 1.00 7.25 C ATOM 2003 C GLU A 136 20.991 4.770 0.932 1.00 6.42 C ATOM 2004 O GLU A 136 21.620 5.820 0.783 1.00 6.54 O ATOM 2005 CB GLU A 136 22.646 3.056 0.223 1.00 8.31 C ATOM 2006 CG GLU A 136 22.870 1.677 -0.379 1.00 9.31 C ATOM 2007 CD GLU A 136 24.063 0.948 0.219 1.00 10.29 C ATOM 2008 OE1 GLU A 136 25.187 1.109 -0.301 1.00 10.79 O1- ATOM 2009 OE2 GLU A 136 23.888 0.223 1.215 1.00 10.69 O ATOM 0 H GLU A 136 21.683 4.518 -1.767 1.00 7.39 H new ATOM 0 HA GLU A 136 20.519 2.787 0.326 1.00 7.25 H new ATOM 0 HB2 GLU A 136 23.340 3.762 -0.233 1.00 8.31 H new ATOM 0 HB3 GLU A 136 22.878 3.023 1.287 1.00 8.31 H new ATOM 0 HG2 GLU A 136 21.974 1.074 -0.233 1.00 9.31 H new ATOM 0 HG3 GLU A 136 23.015 1.777 -1.455 1.00 9.31 H new ATOM 2016 N ILE A 137 20.050 4.608 1.844 1.00 5.86 N ATOM 2017 CA ILE A 137 19.762 5.604 2.850 1.00 5.49 C ATOM 2018 C ILE A 137 20.697 5.419 4.035 1.00 6.25 C ATOM 2019 O ILE A 137 20.575 4.455 4.792 1.00 6.73 O ATOM 2020 CB ILE A 137 18.295 5.508 3.322 1.00 4.93 C ATOM 2021 CG1 ILE A 137 17.346 5.937 2.208 1.00 4.16 C ATOM 2022 CG2 ILE A 137 18.059 6.337 4.575 1.00 5.24 C ATOM 2023 CD1 ILE A 137 17.654 7.307 1.659 1.00 4.21 C ATOM 0 H ILE A 137 19.463 3.776 1.905 1.00 5.86 H new ATOM 0 HA ILE A 137 19.915 6.590 2.411 1.00 5.49 H new ATOM 0 HB ILE A 137 18.093 4.466 3.571 1.00 4.93 H new ATOM 0 HG12 ILE A 137 17.394 5.209 1.398 1.00 4.16 H new ATOM 0 HG13 ILE A 137 16.324 5.926 2.586 1.00 4.16 H new ATOM 0 HG21 ILE A 137 17.016 6.247 4.880 1.00 5.24 H new ATOM 0 HG22 ILE A 137 18.704 5.977 5.376 1.00 5.24 H new ATOM 0 HG23 ILE A 137 18.287 7.383 4.368 1.00 5.24 H new ATOM 0 HD11 ILE A 137 16.942 7.551 0.870 1.00 4.21 H new ATOM 0 HD12 ILE A 137 17.578 8.045 2.458 1.00 4.21 H new ATOM 0 HD13 ILE A 137 18.665 7.317 1.251 1.00 4.21 H new ATOM 2035 N LEU A 138 21.639 6.343 4.163 1.00 6.60 N ATOM 2036 CA LEU A 138 22.638 6.299 5.219 1.00 7.40 C ATOM 2037 C LEU A 138 21.982 6.553 6.565 1.00 7.59 C ATOM 2038 O LEU A 138 22.231 5.835 7.531 1.00 8.21 O ATOM 2039 CB LEU A 138 23.738 7.342 4.957 1.00 7.87 C ATOM 2040 CG LEU A 138 24.828 6.961 3.937 1.00 8.31 C ATOM 2041 CD1 LEU A 138 24.265 6.163 2.775 1.00 7.93 C ATOM 2042 CD2 LEU A 138 25.512 8.210 3.410 1.00 8.79 C ATOM 0 H LEU A 138 21.731 7.143 3.538 1.00 6.60 H new ATOM 0 HA LEU A 138 23.094 5.309 5.230 1.00 7.40 H new ATOM 0 HB2 LEU A 138 23.261 8.261 4.617 1.00 7.87 H new ATOM 0 HB3 LEU A 138 24.225 7.568 5.906 1.00 7.87 H new ATOM 0 HG LEU A 138 25.552 6.333 4.457 1.00 8.31 H new ATOM 0 HD11 LEU A 138 25.068 5.916 2.080 1.00 7.93 H new ATOM 0 HD12 LEU A 138 23.813 5.244 3.149 1.00 7.93 H new ATOM 0 HD13 LEU A 138 23.509 6.755 2.260 1.00 7.93 H new ATOM 0 HD21 LEU A 138 26.280 7.928 2.690 1.00 8.79 H new ATOM 0 HD22 LEU A 138 24.776 8.850 2.923 1.00 8.79 H new ATOM 0 HD23 LEU A 138 25.971 8.750 4.238 1.00 8.79 H new ATOM 2054 N GLU A 139 21.139 7.575 6.620 1.00 7.31 N ATOM 2055 CA GLU A 139 20.423 7.908 7.834 1.00 7.84 C ATOM 2056 C GLU A 139 19.040 8.412 7.499 1.00 7.45 C ATOM 2057 O GLU A 139 18.816 8.914 6.407 1.00 6.77 O ATOM 2058 CB GLU A 139 21.170 8.969 8.626 1.00 8.66 C ATOM 2059 CG GLU A 139 22.380 8.430 9.360 1.00 9.21 C ATOM 2060 CD GLU A 139 23.176 9.510 10.056 1.00 9.98 C ATOM 2061 OE1 GLU A 139 22.646 10.124 11.010 1.00 10.44 O ATOM 2062 OE2 GLU A 139 24.339 9.744 9.660 1.00 10.28 O1- ATOM 0 H GLU A 139 20.937 8.188 5.831 1.00 7.31 H new ATOM 0 HA GLU A 139 20.345 7.006 8.441 1.00 7.84 H new ATOM 0 HB2 GLU A 139 21.488 9.761 7.948 1.00 8.66 H new ATOM 0 HB3 GLU A 139 20.489 9.421 9.347 1.00 8.66 H new ATOM 0 HG2 GLU A 139 22.054 7.695 10.096 1.00 9.21 H new ATOM 0 HG3 GLU A 139 23.025 7.909 8.653 1.00 9.21 H new ATOM 2069 N GLY A 140 18.121 8.292 8.433 1.00 8.06 N ATOM 2070 CA GLY A 140 16.803 8.840 8.219 1.00 8.05 C ATOM 2071 C GLY A 140 15.698 7.848 8.494 1.00 8.05 C ATOM 2072 O GLY A 140 14.921 8.012 9.437 1.00 8.87 O ATOM 0 H GLY A 140 18.259 7.829 9.331 1.00 8.06 H new ATOM 0 HA2 GLY A 140 16.669 9.711 8.861 1.00 8.05 H new ATOM 0 HA3 GLY A 140 16.723 9.188 7.189 1.00 8.05 H new ATOM 2076 N LEU A 141 15.627 6.816 7.666 1.00 7.34 N ATOM 2077 CA LEU A 141 14.534 5.861 7.729 1.00 7.46 C ATOM 2078 C LEU A 141 14.878 4.601 8.508 1.00 8.16 C ATOM 2079 O LEU A 141 15.965 4.471 9.068 1.00 8.50 O ATOM 2080 CB LEU A 141 14.080 5.489 6.336 1.00 6.40 C ATOM 2081 CG LEU A 141 13.333 6.597 5.618 1.00 6.03 C ATOM 2082 CD1 LEU A 141 12.275 7.213 6.527 1.00 5.58 C ATOM 2083 CD2 LEU A 141 14.294 7.648 5.084 1.00 6.58 C ATOM 0 H LEU A 141 16.317 6.620 6.941 1.00 7.34 H new ATOM 0 HA LEU A 141 13.727 6.358 8.268 1.00 7.46 H new ATOM 0 HB2 LEU A 141 14.951 5.208 5.744 1.00 6.40 H new ATOM 0 HB3 LEU A 141 13.438 4.610 6.396 1.00 6.40 H new ATOM 0 HG LEU A 141 12.819 6.162 4.761 1.00 6.03 H new ATOM 0 HD11 LEU A 141 11.752 8.005 5.992 1.00 5.58 H new ATOM 0 HD12 LEU A 141 11.562 6.445 6.827 1.00 5.58 H new ATOM 0 HD13 LEU A 141 12.754 7.629 7.413 1.00 5.58 H new ATOM 0 HD21 LEU A 141 13.731 8.430 4.574 1.00 6.58 H new ATOM 0 HD22 LEU A 141 14.853 8.084 5.912 1.00 6.58 H new ATOM 0 HD23 LEU A 141 14.988 7.184 4.383 1.00 6.58 H new ATOM 2095 N LYS A 142 13.933 3.676 8.521 1.00 8.54 N ATOM 2096 CA LYS A 142 14.078 2.422 9.229 1.00 9.51 C ATOM 2097 C LYS A 142 13.402 1.310 8.452 1.00 9.48 C ATOM 2098 O LYS A 142 12.446 1.541 7.716 1.00 8.97 O ATOM 2099 CB LYS A 142 13.426 2.540 10.599 1.00 10.71 C ATOM 2100 CG LYS A 142 13.540 1.286 11.446 1.00 11.83 C ATOM 2101 CD LYS A 142 14.952 1.085 11.969 1.00 12.89 C ATOM 2102 CE LYS A 142 15.099 -0.245 12.690 1.00 13.50 C ATOM 2103 NZ LYS A 142 14.126 -0.396 13.807 1.00 14.15 N1+ ATOM 0 H LYS A 142 13.041 3.777 8.037 1.00 8.54 H new ATOM 0 HA LYS A 142 15.138 2.193 9.339 1.00 9.51 H new ATOM 0 HB2 LYS A 142 13.881 3.372 11.136 1.00 10.71 H new ATOM 0 HB3 LYS A 142 12.372 2.784 10.469 1.00 10.71 H new ATOM 0 HG2 LYS A 142 12.847 1.350 12.285 1.00 11.83 H new ATOM 0 HG3 LYS A 142 13.245 0.420 10.854 1.00 11.83 H new ATOM 0 HD2 LYS A 142 15.657 1.129 11.139 1.00 12.89 H new ATOM 0 HD3 LYS A 142 15.208 1.898 12.649 1.00 12.89 H new ATOM 0 HE2 LYS A 142 14.960 -1.058 11.978 1.00 13.50 H new ATOM 0 HE3 LYS A 142 16.113 -0.333 13.080 1.00 13.50 H new ATOM 0 HZ1 LYS A 142 14.352 -1.253 14.351 1.00 14.15 H new ATOM 0 HZ2 LYS A 142 14.182 0.435 14.430 1.00 14.15 H new ATOM 0 HZ3 LYS A 142 13.164 -0.475 13.421 1.00 14.15 H new ATOM 2117 N ALA A 143 13.911 0.107 8.630 1.00 10.19 N ATOM 2118 CA ALA A 143 13.381 -1.067 7.958 1.00 10.49 C ATOM 2119 C ALA A 143 12.002 -1.390 8.482 1.00 11.20 C ATOM 2120 O ALA A 143 11.785 -1.431 9.690 1.00 12.12 O ATOM 2121 CB ALA A 143 14.295 -2.255 8.146 1.00 11.37 C ATOM 0 H ALA A 143 14.703 -0.086 9.243 1.00 10.19 H new ATOM 0 HA ALA A 143 13.316 -0.848 6.892 1.00 10.49 H new ATOM 0 HB1 ALA A 143 13.876 -3.121 7.634 1.00 11.37 H new ATOM 0 HB2 ALA A 143 15.277 -2.028 7.731 1.00 11.37 H new ATOM 0 HB3 ALA A 143 14.392 -2.475 9.209 1.00 11.37 H new ATOM 2127 N GLY A 144 11.079 -1.627 7.573 1.00 10.88 N ATOM 2128 CA GLY A 144 9.705 -1.829 7.961 1.00 11.54 C ATOM 2129 C GLY A 144 8.871 -0.602 7.685 1.00 10.82 C ATOM 2130 O GLY A 144 7.662 -0.594 7.918 1.00 11.32 O ATOM 0 H GLY A 144 11.256 -1.684 6.570 1.00 10.88 H new ATOM 0 HA2 GLY A 144 9.293 -2.680 7.419 1.00 11.54 H new ATOM 0 HA3 GLY A 144 9.657 -2.073 9.022 1.00 11.54 H new ATOM 2134 N GLN A 145 9.520 0.444 7.187 1.00 9.74 N ATOM 2135 CA GLN A 145 8.819 1.660 6.834 1.00 9.10 C ATOM 2136 C GLN A 145 8.675 1.746 5.328 1.00 8.05 C ATOM 2137 O GLN A 145 9.585 1.374 4.598 1.00 7.35 O ATOM 2138 CB GLN A 145 9.528 2.907 7.367 1.00 8.76 C ATOM 2139 CG GLN A 145 9.820 2.860 8.859 1.00 9.88 C ATOM 2140 CD GLN A 145 10.490 4.123 9.355 1.00 10.75 C ATOM 2141 OE1 GLN A 145 11.208 4.796 8.612 1.00 11.13 O ATOM 2142 NE2 GLN A 145 10.272 4.453 10.616 1.00 11.24 N ATOM 0 H GLN A 145 10.526 0.469 7.021 1.00 9.74 H new ATOM 0 HA GLN A 145 7.833 1.624 7.298 1.00 9.10 H new ATOM 0 HB2 GLN A 145 10.466 3.038 6.827 1.00 8.76 H new ATOM 0 HB3 GLN A 145 8.913 3.781 7.155 1.00 8.76 H new ATOM 0 HG2 GLN A 145 8.889 2.708 9.404 1.00 9.88 H new ATOM 0 HG3 GLN A 145 10.459 2.004 9.075 1.00 9.88 H new ATOM 0 HE21 GLN A 145 9.671 3.870 11.199 1.00 11.24 H new ATOM 0 HE22 GLN A 145 10.704 5.290 11.006 1.00 11.24 H new ATOM 2151 N GLN A 146 7.546 2.215 4.869 1.00 8.12 N ATOM 2152 CA GLN A 146 7.319 2.383 3.449 1.00 7.34 C ATOM 2153 C GLN A 146 7.584 3.816 3.021 1.00 6.41 C ATOM 2154 O GLN A 146 7.363 4.749 3.786 1.00 6.79 O ATOM 2155 CB GLN A 146 5.876 2.026 3.126 1.00 8.14 C ATOM 2156 CG GLN A 146 5.634 0.541 3.066 1.00 9.01 C ATOM 2157 CD GLN A 146 4.192 0.187 2.767 1.00 9.89 C ATOM 2158 OE1 GLN A 146 3.263 1.001 3.244 1.00 10.17 O flip ATOM 2159 NE2 GLN A 146 3.918 -0.825 2.125 1.00 10.49 N flip ATOM 0 H GLN A 146 6.761 2.491 5.458 1.00 8.12 H new ATOM 0 HA GLN A 146 8.002 1.727 2.910 1.00 7.34 H new ATOM 0 HB2 GLN A 146 5.222 2.464 3.880 1.00 8.14 H new ATOM 0 HB3 GLN A 146 5.603 2.471 2.169 1.00 8.14 H new ATOM 0 HG2 GLN A 146 6.276 0.105 2.300 1.00 9.01 H new ATOM 0 HG3 GLN A 146 5.923 0.093 4.017 1.00 9.01 H new ATOM 0 HE21 GLN A 146 4.665 -1.425 1.775 1.00 10.49 H new ATOM 0 HE22 GLN A 146 2.944 -1.065 1.942 1.00 10.49 H new ATOM 2168 N VAL A 147 8.067 3.981 1.804 1.00 5.45 N ATOM 2169 CA VAL A 147 8.260 5.304 1.228 1.00 4.76 C ATOM 2170 C VAL A 147 7.774 5.303 -0.211 1.00 4.67 C ATOM 2171 O VAL A 147 7.771 4.253 -0.863 1.00 4.76 O ATOM 2172 CB VAL A 147 9.735 5.777 1.275 1.00 3.89 C ATOM 2173 CG1 VAL A 147 10.212 5.931 2.712 1.00 4.21 C ATOM 2174 CG2 VAL A 147 10.640 4.816 0.511 1.00 3.49 C ATOM 0 H VAL A 147 8.335 3.212 1.190 1.00 5.45 H new ATOM 0 HA VAL A 147 7.682 6.004 1.832 1.00 4.76 H new ATOM 0 HB VAL A 147 9.788 6.753 0.792 1.00 3.89 H new ATOM 0 HG11 VAL A 147 11.250 6.264 2.717 1.00 4.21 H new ATOM 0 HG12 VAL A 147 9.592 6.667 3.224 1.00 4.21 H new ATOM 0 HG13 VAL A 147 10.136 4.972 3.225 1.00 4.21 H new ATOM 0 HG21 VAL A 147 11.670 5.170 0.559 1.00 3.49 H new ATOM 0 HG22 VAL A 147 10.576 3.824 0.957 1.00 3.49 H new ATOM 0 HG23 VAL A 147 10.322 4.766 -0.530 1.00 3.49 H new ATOM 2184 N VAL A 148 7.352 6.470 -0.689 1.00 4.95 N ATOM 2185 CA VAL A 148 6.761 6.594 -2.017 1.00 5.28 C ATOM 2186 C VAL A 148 7.692 6.077 -3.102 1.00 4.93 C ATOM 2187 O VAL A 148 8.900 6.299 -3.068 1.00 4.74 O ATOM 2188 CB VAL A 148 6.357 8.048 -2.353 1.00 6.08 C ATOM 2189 CG1 VAL A 148 5.338 8.569 -1.355 1.00 6.56 C ATOM 2190 CG2 VAL A 148 7.580 8.954 -2.412 1.00 6.56 C ATOM 0 H VAL A 148 7.409 7.348 -0.173 1.00 4.95 H new ATOM 0 HA VAL A 148 5.861 5.980 -1.992 1.00 5.28 H new ATOM 0 HB VAL A 148 5.893 8.051 -3.339 1.00 6.08 H new ATOM 0 HG11 VAL A 148 5.069 9.594 -1.611 1.00 6.56 H new ATOM 0 HG12 VAL A 148 4.447 7.942 -1.384 1.00 6.56 H new ATOM 0 HG13 VAL A 148 5.766 8.546 -0.353 1.00 6.56 H new ATOM 0 HG21 VAL A 148 7.268 9.971 -2.650 1.00 6.56 H new ATOM 0 HG22 VAL A 148 8.086 8.946 -1.446 1.00 6.56 H new ATOM 0 HG23 VAL A 148 8.263 8.594 -3.182 1.00 6.56 H new ATOM 2200 N VAL A 149 7.111 5.376 -4.053 1.00 5.25 N ATOM 2201 CA VAL A 149 7.864 4.739 -5.115 1.00 5.51 C ATOM 2202 C VAL A 149 7.170 4.963 -6.455 1.00 6.47 C ATOM 2203 O VAL A 149 7.817 5.225 -7.468 1.00 6.99 O ATOM 2204 CB VAL A 149 8.031 3.237 -4.794 1.00 5.65 C ATOM 2205 CG1 VAL A 149 8.535 2.430 -5.970 1.00 5.29 C ATOM 2206 CG2 VAL A 149 8.979 3.076 -3.625 1.00 6.22 C ATOM 0 H VAL A 149 6.103 5.231 -4.112 1.00 5.25 H new ATOM 0 HA VAL A 149 8.858 5.182 -5.186 1.00 5.51 H new ATOM 0 HB VAL A 149 7.042 2.851 -4.547 1.00 5.65 H new ATOM 0 HG11 VAL A 149 8.631 1.384 -5.679 1.00 5.29 H new ATOM 0 HG12 VAL A 149 7.830 2.514 -6.797 1.00 5.29 H new ATOM 0 HG13 VAL A 149 9.508 2.810 -6.282 1.00 5.29 H new ATOM 0 HG21 VAL A 149 9.098 2.017 -3.397 1.00 6.22 H new ATOM 0 HG22 VAL A 149 9.948 3.504 -3.881 1.00 6.22 H new ATOM 0 HG23 VAL A 149 8.574 3.591 -2.754 1.00 6.22 H new ATOM 2216 N SER A 150 5.847 4.885 -6.442 1.00 6.89 N ATOM 2217 CA SER A 150 5.048 5.271 -7.591 1.00 7.82 C ATOM 2218 C SER A 150 3.840 6.066 -7.113 1.00 8.09 C ATOM 2219 O SER A 150 2.845 5.495 -6.667 1.00 8.72 O ATOM 2220 CB SER A 150 4.604 4.042 -8.392 1.00 8.62 C ATOM 2221 OG SER A 150 4.046 4.413 -9.642 1.00 9.06 O ATOM 0 H SER A 150 5.304 4.556 -5.643 1.00 6.89 H new ATOM 0 HA SER A 150 5.653 5.891 -8.253 1.00 7.82 H new ATOM 0 HB2 SER A 150 5.457 3.384 -8.554 1.00 8.62 H new ATOM 0 HB3 SER A 150 3.870 3.477 -7.817 1.00 8.62 H new ATOM 0 HG SER A 150 3.069 4.435 -9.570 1.00 9.06 H new ATOM 2227 N GLY A 151 3.964 7.383 -7.163 1.00 7.84 N ATOM 2228 CA GLY A 151 2.883 8.264 -6.769 1.00 8.31 C ATOM 2229 C GLY A 151 3.210 9.700 -7.115 1.00 8.50 C ATOM 2230 O GLY A 151 3.316 10.554 -6.237 1.00 8.43 O ATOM 0 H GLY A 151 4.808 7.864 -7.474 1.00 7.84 H new ATOM 0 HA2 GLY A 151 1.962 7.965 -7.270 1.00 8.31 H new ATOM 0 HA3 GLY A 151 2.706 8.174 -5.697 1.00 8.31 H new ATOM 2234 N GLN A 152 3.381 9.954 -8.403 1.00 8.97 N ATOM 2235 CA GLN A 152 3.819 11.256 -8.884 1.00 9.41 C ATOM 2236 C GLN A 152 2.816 11.824 -9.891 1.00 9.73 C ATOM 2237 O GLN A 152 1.607 11.754 -9.672 1.00 9.97 O ATOM 2238 CB GLN A 152 5.217 11.118 -9.508 1.00 10.01 C ATOM 2239 CG GLN A 152 5.312 10.030 -10.569 1.00 10.63 C ATOM 2240 CD GLN A 152 6.701 9.916 -11.163 1.00 11.38 C ATOM 2241 OE1 GLN A 152 7.022 10.580 -12.147 1.00 11.71 O ATOM 2242 NE2 GLN A 152 7.532 9.076 -10.566 1.00 11.84 N ATOM 0 H GLN A 152 3.221 9.268 -9.141 1.00 8.97 H new ATOM 0 HA GLN A 152 3.872 11.954 -8.049 1.00 9.41 H new ATOM 0 HB2 GLN A 152 5.502 12.072 -9.952 1.00 10.01 H new ATOM 0 HB3 GLN A 152 5.938 10.906 -8.718 1.00 10.01 H new ATOM 0 HG2 GLN A 152 5.029 9.073 -10.130 1.00 10.63 H new ATOM 0 HG3 GLN A 152 4.597 10.240 -11.364 1.00 10.63 H new ATOM 0 HE21 GLN A 152 7.223 8.545 -9.752 1.00 11.84 H new ATOM 0 HE22 GLN A 152 8.481 8.960 -10.920 1.00 11.84 H new ATOM 2251 N PHE A 153 3.326 12.391 -10.985 1.00 9.95 N ATOM 2252 CA PHE A 153 2.499 12.997 -12.030 1.00 10.47 C ATOM 2253 C PHE A 153 1.764 11.929 -12.840 1.00 10.93 C ATOM 2254 O PHE A 153 1.990 11.771 -14.042 1.00 11.34 O ATOM 2255 CB PHE A 153 3.388 13.829 -12.958 1.00 10.62 C ATOM 2256 CG PHE A 153 4.172 14.895 -12.247 1.00 11.04 C ATOM 2257 CD1 PHE A 153 3.572 16.087 -11.880 1.00 11.41 C ATOM 2258 CD2 PHE A 153 5.511 14.704 -11.949 1.00 11.27 C ATOM 2259 CE1 PHE A 153 4.293 17.070 -11.230 1.00 12.02 C ATOM 2260 CE2 PHE A 153 6.238 15.681 -11.300 1.00 11.87 C ATOM 2261 CZ PHE A 153 5.627 16.866 -10.939 1.00 12.24 C ATOM 0 H PHE A 153 4.327 12.443 -11.172 1.00 9.95 H new ATOM 0 HA PHE A 153 1.753 13.635 -11.556 1.00 10.47 H new ATOM 0 HB2 PHE A 153 4.081 13.165 -13.475 1.00 10.62 H new ATOM 0 HB3 PHE A 153 2.765 14.296 -13.721 1.00 10.62 H new ATOM 0 HD1 PHE A 153 2.528 16.251 -12.104 1.00 11.41 H new ATOM 0 HD2 PHE A 153 5.992 13.778 -12.228 1.00 11.27 H new ATOM 0 HE1 PHE A 153 3.814 17.996 -10.950 1.00 12.02 H new ATOM 0 HE2 PHE A 153 7.282 15.520 -11.075 1.00 11.87 H new ATOM 0 HZ PHE A 153 6.192 17.632 -10.430 1.00 12.24 H new ATOM 2271 N LEU A 154 0.894 11.193 -12.168 1.00 11.05 N ATOM 2272 CA LEU A 154 0.179 10.089 -12.782 1.00 11.63 C ATOM 2273 C LEU A 154 -1.259 10.480 -13.081 1.00 11.39 C ATOM 2274 O LEU A 154 -2.139 10.386 -12.222 1.00 11.57 O ATOM 2275 CB LEU A 154 0.192 8.876 -11.852 1.00 12.16 C ATOM 2276 CG LEU A 154 -0.466 7.621 -12.430 1.00 12.68 C ATOM 2277 CD1 LEU A 154 0.414 6.993 -13.499 1.00 13.16 C ATOM 2278 CD2 LEU A 154 -0.769 6.624 -11.327 1.00 13.04 C ATOM 0 H LEU A 154 0.665 11.344 -11.186 1.00 11.05 H new ATOM 0 HA LEU A 154 0.678 9.838 -13.718 1.00 11.63 H new ATOM 0 HB2 LEU A 154 1.225 8.643 -11.596 1.00 12.16 H new ATOM 0 HB3 LEU A 154 -0.315 9.141 -10.924 1.00 12.16 H new ATOM 0 HG LEU A 154 -1.407 7.912 -12.897 1.00 12.68 H new ATOM 0 HD11 LEU A 154 -0.074 6.103 -13.895 1.00 13.16 H new ATOM 0 HD12 LEU A 154 0.574 7.709 -14.306 1.00 13.16 H new ATOM 0 HD13 LEU A 154 1.374 6.717 -13.064 1.00 13.16 H new ATOM 0 HD21 LEU A 154 -1.237 5.738 -11.756 1.00 13.04 H new ATOM 0 HD22 LEU A 154 0.158 6.340 -10.829 1.00 13.04 H new ATOM 0 HD23 LEU A 154 -1.446 7.077 -10.603 1.00 13.04 H new ATOM 2290 N ILE A 155 -1.483 10.921 -14.311 1.00 11.17 N ATOM 2291 CA ILE A 155 -2.808 11.323 -14.769 1.00 11.08 C ATOM 2292 C ILE A 155 -3.662 10.085 -15.023 1.00 10.31 C ATOM 2293 O ILE A 155 -4.866 10.169 -15.251 1.00 9.93 O ATOM 2294 CB ILE A 155 -2.707 12.174 -16.058 1.00 11.39 C ATOM 2295 CG1 ILE A 155 -1.751 13.348 -15.842 1.00 11.61 C ATOM 2296 CG2 ILE A 155 -4.075 12.687 -16.493 1.00 11.66 C ATOM 2297 CD1 ILE A 155 -2.158 14.271 -14.713 1.00 11.95 C ATOM 0 H ILE A 155 -0.754 11.011 -15.019 1.00 11.17 H new ATOM 0 HA ILE A 155 -3.276 11.931 -13.994 1.00 11.08 H new ATOM 0 HB ILE A 155 -2.318 11.535 -16.851 1.00 11.39 H new ATOM 0 HG12 ILE A 155 -0.753 12.959 -15.638 1.00 11.61 H new ATOM 0 HG13 ILE A 155 -1.686 13.925 -16.764 1.00 11.61 H new ATOM 0 HG21 ILE A 155 -3.969 13.281 -17.401 1.00 11.66 H new ATOM 0 HG22 ILE A 155 -4.736 11.842 -16.687 1.00 11.66 H new ATOM 0 HG23 ILE A 155 -4.500 13.306 -15.702 1.00 11.66 H new ATOM 0 HD11 ILE A 155 -1.431 15.078 -14.623 1.00 11.95 H new ATOM 0 HD12 ILE A 155 -3.142 14.691 -14.923 1.00 11.95 H new ATOM 0 HD13 ILE A 155 -2.195 13.710 -13.779 1.00 11.95 H new ATOM 2309 N ASP A 156 -3.020 8.926 -14.975 1.00 10.31 N ATOM 2310 CA ASP A 156 -3.715 7.657 -15.119 1.00 9.81 C ATOM 2311 C ASP A 156 -4.323 7.233 -13.783 1.00 9.63 C ATOM 2312 O ASP A 156 -4.936 6.170 -13.680 1.00 9.09 O ATOM 2313 CB ASP A 156 -2.757 6.578 -15.622 1.00 10.26 C ATOM 2314 CG ASP A 156 -3.448 5.521 -16.457 1.00 10.68 C ATOM 2315 OD1 ASP A 156 -3.700 5.784 -17.652 1.00 11.22 O ATOM 2316 OD2 ASP A 156 -3.725 4.420 -15.932 1.00 10.64 O1- ATOM 0 H ASP A 156 -2.013 8.840 -14.837 1.00 10.31 H new ATOM 0 HA ASP A 156 -4.515 7.782 -15.848 1.00 9.81 H new ATOM 0 HB2 ASP A 156 -1.970 7.045 -16.214 1.00 10.26 H new ATOM 0 HB3 ASP A 156 -2.274 6.102 -14.769 1.00 10.26 H new ATOM 2321 N SER A 157 -4.153 8.062 -12.756 1.00 10.26 N ATOM 2322 CA SER A 157 -4.697 7.749 -11.444 1.00 10.38 C ATOM 2323 C SER A 157 -6.216 7.769 -11.498 1.00 9.63 C ATOM 2324 O SER A 157 -6.854 6.917 -10.879 1.00 9.37 O ATOM 2325 CB SER A 157 -4.173 8.713 -10.374 1.00 11.42 C ATOM 2326 OG SER A 157 -4.591 8.322 -9.076 1.00 11.90 O ATOM 0 H SER A 157 -3.648 8.946 -12.809 1.00 10.26 H new ATOM 0 HA SER A 157 -4.366 6.749 -11.165 1.00 10.38 H new ATOM 0 HB2 SER A 157 -3.084 8.745 -10.413 1.00 11.42 H new ATOM 0 HB3 SER A 157 -4.530 9.721 -10.584 1.00 11.42 H new ATOM 0 HG SER A 157 -4.240 8.955 -8.415 1.00 11.90 H new ATOM 2332 N GLU A 158 -6.804 8.718 -12.205 1.00 9.47 N ATOM 2333 CA GLU A 158 -8.258 8.781 -12.300 1.00 9.00 C ATOM 2334 C GLU A 158 -8.813 7.427 -12.737 1.00 8.03 C ATOM 2335 O GLU A 158 -9.671 6.845 -12.063 1.00 7.69 O ATOM 2336 CB GLU A 158 -8.707 9.878 -13.271 1.00 9.38 C ATOM 2337 CG GLU A 158 -8.332 11.289 -12.833 1.00 10.19 C ATOM 2338 CD GLU A 158 -6.913 11.677 -13.201 1.00 10.79 C ATOM 2339 OE1 GLU A 158 -5.973 11.199 -12.532 1.00 11.17 O1- ATOM 2340 OE2 GLU A 158 -6.730 12.447 -14.169 1.00 11.06 O ATOM 0 H GLU A 158 -6.308 9.448 -12.717 1.00 9.47 H new ATOM 0 HA GLU A 158 -8.651 9.028 -11.314 1.00 9.00 H new ATOM 0 HB2 GLU A 158 -8.268 9.684 -14.250 1.00 9.38 H new ATOM 0 HB3 GLU A 158 -9.789 9.822 -13.391 1.00 9.38 H new ATOM 0 HG2 GLU A 158 -9.024 11.998 -13.287 1.00 10.19 H new ATOM 0 HG3 GLU A 158 -8.455 11.371 -11.753 1.00 10.19 H new ATOM 2347 N ALA A 159 -8.259 6.910 -13.831 1.00 7.82 N ATOM 2348 CA ALA A 159 -8.646 5.612 -14.370 1.00 7.20 C ATOM 2349 C ALA A 159 -8.467 4.502 -13.335 1.00 7.12 C ATOM 2350 O ALA A 159 -9.216 3.529 -13.320 1.00 6.81 O ATOM 2351 CB ALA A 159 -7.833 5.307 -15.618 1.00 7.44 C ATOM 0 H ALA A 159 -7.530 7.380 -14.367 1.00 7.82 H new ATOM 0 HA ALA A 159 -9.704 5.654 -14.631 1.00 7.20 H new ATOM 0 HB1 ALA A 159 -8.127 4.336 -16.016 1.00 7.44 H new ATOM 0 HB2 ALA A 159 -8.015 6.076 -16.368 1.00 7.44 H new ATOM 0 HB3 ALA A 159 -6.773 5.290 -15.366 1.00 7.44 H new ATOM 2357 N SER A 160 -7.475 4.657 -12.470 1.00 7.72 N ATOM 2358 CA SER A 160 -7.211 3.691 -11.410 1.00 8.04 C ATOM 2359 C SER A 160 -8.304 3.753 -10.340 1.00 7.99 C ATOM 2360 O SER A 160 -8.722 2.735 -9.800 1.00 8.08 O ATOM 2361 CB SER A 160 -5.836 3.969 -10.792 1.00 8.99 C ATOM 2362 OG SER A 160 -5.506 3.016 -9.793 1.00 9.64 O ATOM 0 H SER A 160 -6.834 5.450 -12.481 1.00 7.72 H new ATOM 0 HA SER A 160 -7.213 2.688 -11.836 1.00 8.04 H new ATOM 0 HB2 SER A 160 -5.076 3.955 -11.574 1.00 8.99 H new ATOM 0 HB3 SER A 160 -5.828 4.969 -10.358 1.00 8.99 H new ATOM 0 HG SER A 160 -4.623 3.223 -9.422 1.00 9.64 H new ATOM 2368 N LEU A 161 -8.758 4.967 -10.049 1.00 8.10 N ATOM 2369 CA LEU A 161 -9.788 5.201 -9.041 1.00 8.40 C ATOM 2370 C LEU A 161 -11.156 4.746 -9.544 1.00 7.89 C ATOM 2371 O LEU A 161 -12.021 4.321 -8.778 1.00 8.18 O ATOM 2372 CB LEU A 161 -9.830 6.693 -8.706 1.00 9.04 C ATOM 2373 CG LEU A 161 -8.525 7.279 -8.156 1.00 9.80 C ATOM 2374 CD1 LEU A 161 -8.681 8.770 -7.898 1.00 10.57 C ATOM 2375 CD2 LEU A 161 -8.105 6.559 -6.883 1.00 10.37 C ATOM 0 H LEU A 161 -8.423 5.816 -10.504 1.00 8.10 H new ATOM 0 HA LEU A 161 -9.545 4.625 -8.148 1.00 8.40 H new ATOM 0 HB2 LEU A 161 -10.105 7.243 -9.606 1.00 9.04 H new ATOM 0 HB3 LEU A 161 -10.621 6.862 -7.975 1.00 9.04 H new ATOM 0 HG LEU A 161 -7.744 7.135 -8.902 1.00 9.80 H new ATOM 0 HD11 LEU A 161 -7.746 9.172 -7.508 1.00 10.57 H new ATOM 0 HD12 LEU A 161 -8.932 9.276 -8.830 1.00 10.57 H new ATOM 0 HD13 LEU A 161 -9.477 8.932 -7.171 1.00 10.57 H new ATOM 0 HD21 LEU A 161 -7.176 6.991 -6.510 1.00 10.37 H new ATOM 0 HD22 LEU A 161 -8.885 6.668 -6.129 1.00 10.37 H new ATOM 0 HD23 LEU A 161 -7.953 5.501 -7.097 1.00 10.37 H new ATOM 2387 N ARG A 162 -11.331 4.883 -10.856 1.00 7.38 N ATOM 2388 CA ARG A 162 -12.592 4.592 -11.532 1.00 7.17 C ATOM 2389 C ARG A 162 -12.649 3.138 -11.979 1.00 6.87 C ATOM 2390 O ARG A 162 -13.451 2.356 -11.489 1.00 6.95 O ATOM 2391 CB ARG A 162 -12.737 5.508 -12.744 1.00 7.15 C ATOM 2392 CG ARG A 162 -12.743 6.985 -12.395 1.00 7.34 C ATOM 2393 CD ARG A 162 -12.634 7.837 -13.643 1.00 7.40 C ATOM 2394 NE ARG A 162 -12.527 9.259 -13.330 1.00 7.84 N ATOM 2395 CZ ARG A 162 -12.146 10.184 -14.204 1.00 8.24 C ATOM 2396 NH1 ARG A 162 -11.825 9.845 -15.448 1.00 8.25 N1+ ATOM 2397 NH2 ARG A 162 -12.081 11.453 -13.832 1.00 8.90 N ATOM 0 H ARG A 162 -10.594 5.202 -11.485 1.00 7.38 H new ATOM 0 HA ARG A 162 -13.410 4.766 -10.833 1.00 7.17 H new ATOM 0 HB2 ARG A 162 -11.919 5.311 -13.437 1.00 7.15 H new ATOM 0 HB3 ARG A 162 -13.663 5.263 -13.265 1.00 7.15 H new ATOM 0 HG2 ARG A 162 -13.660 7.232 -11.860 1.00 7.34 H new ATOM 0 HG3 ARG A 162 -11.913 7.208 -11.725 1.00 7.34 H new ATOM 0 HD2 ARG A 162 -11.762 7.526 -14.218 1.00 7.40 H new ATOM 0 HD3 ARG A 162 -13.508 7.670 -14.273 1.00 7.40 H new ATOM 0 HE ARG A 162 -12.759 9.560 -12.383 1.00 7.84 H new ATOM 0 HH11 ARG A 162 -11.870 8.868 -15.738 1.00 8.25 H new ATOM 0 HH12 ARG A 162 -11.533 10.562 -16.113 1.00 8.25 H new ATOM 0 HH21 ARG A 162 -12.323 11.718 -12.877 1.00 8.90 H new ATOM 0 HH22 ARG A 162 -11.789 12.166 -14.500 1.00 8.90 H new ATOM 2411 N GLY A 163 -11.791 2.798 -12.934 1.00 6.89 N ATOM 2412 CA GLY A 163 -11.830 1.487 -13.547 1.00 7.01 C ATOM 2413 C GLY A 163 -10.991 0.474 -12.807 1.00 6.68 C ATOM 2414 O GLY A 163 -10.965 -0.697 -13.186 1.00 7.15 O ATOM 0 H GLY A 163 -11.063 3.414 -13.296 1.00 6.89 H new ATOM 0 HA2 GLY A 163 -12.862 1.139 -13.586 1.00 7.01 H new ATOM 0 HA3 GLY A 163 -11.479 1.561 -14.576 1.00 7.01 H new ATOM 2418 N THR A 164 -10.297 0.950 -11.773 1.00 6.17 N ATOM 2419 CA THR A 164 -9.516 0.119 -10.853 1.00 6.16 C ATOM 2420 C THR A 164 -8.620 -0.895 -11.567 1.00 6.65 C ATOM 2421 O THR A 164 -7.544 -0.545 -12.061 1.00 7.09 O ATOM 2422 CB THR A 164 -10.423 -0.591 -9.826 1.00 6.38 C ATOM 2423 OG1 THR A 164 -11.428 -1.372 -10.490 1.00 6.86 O ATOM 2424 CG2 THR A 164 -11.091 0.433 -8.924 1.00 6.23 C ATOM 0 H THR A 164 -10.261 1.944 -11.546 1.00 6.17 H new ATOM 0 HA THR A 164 -8.855 0.805 -10.323 1.00 6.16 H new ATOM 0 HB THR A 164 -9.802 -1.255 -9.225 1.00 6.38 H new ATOM 0 HG1 THR A 164 -12.225 -0.822 -10.638 1.00 6.86 H new ATOM 0 HG21 THR A 164 -11.729 -0.078 -8.203 1.00 6.23 H new ATOM 0 HG22 THR A 164 -10.328 1.003 -8.394 1.00 6.23 H new ATOM 0 HG23 THR A 164 -11.696 1.110 -9.527 1.00 6.23 H new ATOM 2432 N VAL A 165 -9.072 -2.140 -11.632 1.00 6.89 N ATOM 2433 CA VAL A 165 -8.307 -3.210 -12.260 1.00 7.69 C ATOM 2434 C VAL A 165 -8.145 -2.968 -13.757 1.00 7.93 C ATOM 2435 O VAL A 165 -7.131 -3.333 -14.353 1.00 8.39 O ATOM 2436 CB VAL A 165 -8.959 -4.593 -12.026 1.00 8.39 C ATOM 2437 CG1 VAL A 165 -8.877 -4.980 -10.558 1.00 9.20 C ATOM 2438 CG2 VAL A 165 -10.409 -4.601 -12.496 1.00 8.56 C ATOM 0 H VAL A 165 -9.972 -2.436 -11.254 1.00 6.89 H new ATOM 0 HA VAL A 165 -7.323 -3.208 -11.792 1.00 7.69 H new ATOM 0 HB VAL A 165 -8.408 -5.328 -12.612 1.00 8.39 H new ATOM 0 HG11 VAL A 165 -9.341 -5.956 -10.412 1.00 9.20 H new ATOM 0 HG12 VAL A 165 -7.832 -5.026 -10.252 1.00 9.20 H new ATOM 0 HG13 VAL A 165 -9.400 -4.237 -9.956 1.00 9.20 H new ATOM 0 HG21 VAL A 165 -10.843 -5.585 -12.320 1.00 8.56 H new ATOM 0 HG22 VAL A 165 -10.975 -3.851 -11.944 1.00 8.56 H new ATOM 0 HG23 VAL A 165 -10.447 -4.373 -13.561 1.00 8.56 H new ATOM 2448 N ALA A 166 -9.130 -2.319 -14.354 1.00 7.88 N ATOM 2449 CA ALA A 166 -9.120 -2.069 -15.782 1.00 8.33 C ATOM 2450 C ALA A 166 -8.995 -0.580 -16.077 1.00 8.94 C ATOM 2451 O ALA A 166 -9.864 0.019 -16.711 1.00 9.11 O ATOM 2452 CB ALA A 166 -10.368 -2.634 -16.431 1.00 8.31 C ATOM 0 H ALA A 166 -9.949 -1.955 -13.868 1.00 7.88 H new ATOM 0 HA ALA A 166 -8.250 -2.572 -16.204 1.00 8.33 H new ATOM 0 HB1 ALA A 166 -10.342 -2.436 -17.503 1.00 8.31 H new ATOM 0 HB2 ALA A 166 -10.411 -3.710 -16.261 1.00 8.31 H new ATOM 0 HB3 ALA A 166 -11.249 -2.163 -15.996 1.00 8.31 H new ATOM 2458 N ARG A 167 -7.920 0.014 -15.588 1.00 9.50 N ATOM 2459 CA ARG A 167 -7.603 1.401 -15.916 1.00 10.31 C ATOM 2460 C ARG A 167 -7.127 1.525 -17.365 1.00 10.80 C ATOM 2461 O ARG A 167 -7.930 1.410 -18.290 1.00 11.13 O ATOM 2462 CB ARG A 167 -6.606 2.030 -14.918 1.00 10.89 C ATOM 2463 CG ARG A 167 -5.745 1.030 -14.161 1.00 11.67 C ATOM 2464 CD ARG A 167 -5.002 0.139 -15.113 1.00 12.28 C ATOM 2465 NE ARG A 167 -4.394 -1.004 -14.445 1.00 13.07 N ATOM 2466 CZ ARG A 167 -3.366 -1.694 -14.931 1.00 13.78 C ATOM 2467 NH1 ARG A 167 -2.756 -1.304 -16.045 1.00 13.81 N1+ ATOM 2468 NH2 ARG A 167 -2.923 -2.753 -14.275 1.00 14.58 N ATOM 0 H ARG A 167 -7.251 -0.437 -14.964 1.00 9.50 H new ATOM 0 HA ARG A 167 -8.524 1.976 -15.821 1.00 10.31 H new ATOM 0 HB2 ARG A 167 -5.953 2.713 -15.461 1.00 10.89 H new ATOM 0 HB3 ARG A 167 -7.164 2.627 -14.197 1.00 10.89 H new ATOM 0 HG2 ARG A 167 -5.037 1.561 -13.525 1.00 11.67 H new ATOM 0 HG3 ARG A 167 -6.372 0.426 -13.505 1.00 11.67 H new ATOM 0 HD2 ARG A 167 -5.687 -0.216 -15.883 1.00 12.28 H new ATOM 0 HD3 ARG A 167 -4.227 0.716 -15.617 1.00 12.28 H new ATOM 0 HE ARG A 167 -4.781 -1.294 -13.547 1.00 13.07 H new ATOM 0 HH11 ARG A 167 -3.075 -0.469 -16.536 1.00 13.81 H new ATOM 0 HH12 ARG A 167 -1.968 -1.840 -16.410 1.00 13.81 H new ATOM 0 HH21 ARG A 167 -3.369 -3.036 -13.402 1.00 14.58 H new ATOM 0 HH22 ARG A 167 -2.135 -3.287 -14.641 1.00 14.58 H new ATOM 2482 N MET A 168 -5.830 1.737 -17.549 1.00 11.01 N ATOM 2483 CA MET A 168 -5.212 1.793 -18.878 1.00 11.55 C ATOM 2484 C MET A 168 -5.749 2.948 -19.717 1.00 11.86 C ATOM 2485 O MET A 168 -6.855 2.882 -20.254 1.00 11.94 O ATOM 2486 CB MET A 168 -5.417 0.468 -19.610 1.00 11.57 C ATOM 2487 CG MET A 168 -4.629 -0.683 -19.011 1.00 11.64 C ATOM 2488 SD MET A 168 -5.324 -2.289 -19.438 1.00 11.27 S ATOM 2489 CE MET A 168 -6.954 -2.121 -18.718 1.00 10.38 C ATOM 0 H MET A 168 -5.171 1.876 -16.783 1.00 11.01 H new ATOM 0 HA MET A 168 -4.146 1.967 -18.733 1.00 11.55 H new ATOM 0 HB2 MET A 168 -6.477 0.216 -19.599 1.00 11.57 H new ATOM 0 HB3 MET A 168 -5.129 0.591 -20.654 1.00 11.57 H new ATOM 0 HG2 MET A 168 -3.597 -0.633 -19.359 1.00 11.64 H new ATOM 0 HG3 MET A 168 -4.605 -0.578 -17.926 1.00 11.64 H new ATOM 0 HE1 MET A 168 -7.280 -3.084 -18.326 1.00 10.38 H new ATOM 0 HE2 MET A 168 -6.921 -1.392 -17.908 1.00 10.38 H new ATOM 0 HE3 MET A 168 -7.656 -1.784 -19.481 1.00 10.38 H new ATOM 2499 N GLN A 169 -4.944 4.002 -19.823 1.00 12.22 N ATOM 2500 CA GLN A 169 -5.256 5.156 -20.664 1.00 12.70 C ATOM 2501 C GLN A 169 -5.712 4.702 -22.049 1.00 12.99 C ATOM 2502 O GLN A 169 -6.768 5.112 -22.537 1.00 13.33 O ATOM 2503 CB GLN A 169 -4.008 6.047 -20.770 1.00 13.10 C ATOM 2504 CG GLN A 169 -4.263 7.412 -21.399 1.00 13.81 C ATOM 2505 CD GLN A 169 -4.261 7.384 -22.914 1.00 14.46 C ATOM 2506 OE1 GLN A 169 -3.533 6.609 -23.535 1.00 14.64 O ATOM 2507 NE2 GLN A 169 -5.079 8.224 -23.522 1.00 14.99 N ATOM 0 H GLN A 169 -4.056 4.081 -19.328 1.00 12.22 H new ATOM 0 HA GLN A 169 -6.071 5.724 -20.215 1.00 12.70 H new ATOM 0 HB2 GLN A 169 -3.593 6.191 -19.772 1.00 13.10 H new ATOM 0 HB3 GLN A 169 -3.252 5.525 -21.357 1.00 13.10 H new ATOM 0 HG2 GLN A 169 -5.224 7.791 -21.051 1.00 13.81 H new ATOM 0 HG3 GLN A 169 -3.501 8.111 -21.054 1.00 13.81 H new ATOM 0 HE21 GLN A 169 -5.667 8.851 -22.973 1.00 14.99 H new ATOM 0 HE22 GLN A 169 -5.123 8.246 -24.541 1.00 14.99 H new ATOM 2516 N GLU A 170 -4.909 3.844 -22.669 1.00 13.03 N ATOM 2517 CA GLU A 170 -5.154 3.408 -24.036 1.00 13.47 C ATOM 2518 C GLU A 170 -5.616 1.950 -24.052 1.00 13.57 C ATOM 2519 O GLU A 170 -5.416 1.216 -25.021 1.00 13.95 O ATOM 2520 CB GLU A 170 -3.881 3.590 -24.871 1.00 14.04 C ATOM 2521 CG GLU A 170 -4.096 3.492 -26.373 1.00 14.40 C ATOM 2522 CD GLU A 170 -2.831 3.764 -27.156 1.00 14.65 C ATOM 2523 OE1 GLU A 170 -2.022 2.829 -27.333 1.00 14.64 O ATOM 2524 OE2 GLU A 170 -2.635 4.917 -27.600 1.00 15.01 O1- ATOM 0 H GLU A 170 -4.078 3.435 -22.242 1.00 13.03 H new ATOM 0 HA GLU A 170 -5.946 4.016 -24.473 1.00 13.47 H new ATOM 0 HB2 GLU A 170 -3.446 4.563 -24.641 1.00 14.04 H new ATOM 0 HB3 GLU A 170 -3.153 2.836 -24.570 1.00 14.04 H new ATOM 0 HG2 GLU A 170 -4.466 2.497 -26.620 1.00 14.40 H new ATOM 0 HG3 GLU A 170 -4.866 4.202 -26.674 1.00 14.40 H new ATOM 2531 N THR A 171 -6.249 1.559 -22.940 1.00 13.39 N ATOM 2532 CA THR A 171 -6.900 0.254 -22.774 1.00 13.67 C ATOM 2533 C THR A 171 -6.001 -0.930 -23.139 1.00 13.64 C ATOM 2534 O THR A 171 -6.484 -1.958 -23.619 1.00 13.80 O ATOM 2535 CB THR A 171 -8.216 0.169 -23.579 1.00 13.90 C ATOM 2536 OG1 THR A 171 -7.982 0.387 -24.977 1.00 13.68 O ATOM 2537 CG2 THR A 171 -9.219 1.190 -23.075 1.00 14.25 C ATOM 0 H THR A 171 -6.325 2.152 -22.114 1.00 13.39 H new ATOM 0 HA THR A 171 -7.119 0.180 -21.709 1.00 13.67 H new ATOM 0 HB THR A 171 -8.619 -0.834 -23.440 1.00 13.90 H new ATOM 0 HG1 THR A 171 -7.018 0.367 -25.154 1.00 13.68 H new ATOM 0 HG21 THR A 171 -10.139 1.114 -23.655 1.00 14.25 H new ATOM 0 HG22 THR A 171 -9.436 0.999 -22.024 1.00 14.25 H new ATOM 0 HG23 THR A 171 -8.804 2.192 -23.183 1.00 14.25 H new ATOM 2545 N THR A 172 -4.705 -0.797 -22.894 1.00 13.61 N ATOM 2546 CA THR A 172 -3.763 -1.849 -23.232 1.00 13.78 C ATOM 2547 C THR A 172 -2.535 -1.808 -22.333 1.00 14.39 C ATOM 2548 O THR A 172 -2.337 -0.866 -21.564 1.00 14.89 O ATOM 2549 CB THR A 172 -3.316 -1.716 -24.702 1.00 13.53 C ATOM 2550 OG1 THR A 172 -2.473 -2.810 -25.086 1.00 13.57 O ATOM 2551 CG2 THR A 172 -2.579 -0.402 -24.931 1.00 13.88 C ATOM 0 H THR A 172 -4.285 0.027 -22.464 1.00 13.61 H new ATOM 0 HA THR A 172 -4.272 -2.801 -23.084 1.00 13.78 H new ATOM 0 HB THR A 172 -4.215 -1.731 -25.318 1.00 13.53 H new ATOM 0 HG1 THR A 172 -2.205 -2.703 -26.022 1.00 13.57 H new ATOM 0 HG21 THR A 172 -2.274 -0.333 -25.975 1.00 13.88 H new ATOM 0 HG22 THR A 172 -3.238 0.432 -24.689 1.00 13.88 H new ATOM 0 HG23 THR A 172 -1.696 -0.364 -24.292 1.00 13.88 H new ATOM 2559 N SER A 173 -1.726 -2.844 -22.438 1.00 14.50 N ATOM 2560 CA SER A 173 -0.419 -2.871 -21.811 1.00 15.21 C ATOM 2561 C SER A 173 0.594 -3.403 -22.813 1.00 15.64 C ATOM 2562 O SER A 173 1.569 -4.069 -22.454 1.00 15.85 O ATOM 2563 CB SER A 173 -0.422 -3.704 -20.523 1.00 15.46 C ATOM 2564 OG SER A 173 -0.862 -5.033 -20.762 1.00 15.55 O ATOM 0 H SER A 173 -1.956 -3.690 -22.960 1.00 14.50 H new ATOM 0 HA SER A 173 -0.144 -1.857 -21.519 1.00 15.21 H new ATOM 0 HB2 SER A 173 0.582 -3.723 -20.099 1.00 15.46 H new ATOM 0 HB3 SER A 173 -1.071 -3.232 -19.785 1.00 15.46 H new ATOM 0 HG SER A 173 -0.851 -5.537 -19.922 1.00 15.55 H new ATOM 2570 N GLY A 174 0.354 -3.099 -24.083 1.00 15.94 N ATOM 2571 CA GLY A 174 1.279 -3.475 -25.132 1.00 16.51 C ATOM 2572 C GLY A 174 2.387 -2.456 -25.300 1.00 16.95 C ATOM 2573 O GLY A 174 3.161 -2.519 -26.254 1.00 17.54 O ATOM 0 H GLY A 174 -0.472 -2.595 -24.405 1.00 15.94 H new ATOM 0 HA2 GLY A 174 1.713 -4.448 -24.902 1.00 16.51 H new ATOM 0 HA3 GLY A 174 0.738 -3.581 -26.072 1.00 16.51 H new ATOM 2577 N LEU A 175 2.456 -1.505 -24.376 1.00 16.81 N ATOM 2578 CA LEU A 175 3.503 -0.497 -24.394 1.00 17.34 C ATOM 2579 C LEU A 175 4.836 -1.161 -24.065 1.00 17.70 C ATOM 2580 O LEU A 175 5.157 -1.402 -22.902 1.00 17.85 O ATOM 2581 CB LEU A 175 3.174 0.623 -23.392 1.00 17.29 C ATOM 2582 CG LEU A 175 3.930 1.945 -23.582 1.00 17.29 C ATOM 2583 CD1 LEU A 175 3.281 3.043 -22.756 1.00 17.42 C ATOM 2584 CD2 LEU A 175 5.396 1.807 -23.194 1.00 17.14 C ATOM 0 H LEU A 175 1.796 -1.413 -23.604 1.00 16.81 H new ATOM 0 HA LEU A 175 3.571 -0.046 -25.384 1.00 17.34 H new ATOM 0 HB2 LEU A 175 2.105 0.829 -23.447 1.00 17.29 H new ATOM 0 HB3 LEU A 175 3.377 0.254 -22.387 1.00 17.29 H new ATOM 0 HG LEU A 175 3.881 2.208 -24.639 1.00 17.29 H new ATOM 0 HD11 LEU A 175 3.826 3.976 -22.899 1.00 17.42 H new ATOM 0 HD12 LEU A 175 2.247 3.174 -23.074 1.00 17.42 H new ATOM 0 HD13 LEU A 175 3.304 2.767 -21.702 1.00 17.42 H new ATOM 0 HD21 LEU A 175 5.902 2.761 -23.340 1.00 17.14 H new ATOM 0 HD22 LEU A 175 5.469 1.514 -22.147 1.00 17.14 H new ATOM 0 HD23 LEU A 175 5.867 1.047 -23.817 1.00 17.14 H new ATOM 2596 N GLU A 176 5.590 -1.471 -25.100 1.00 17.97 N ATOM 2597 CA GLU A 176 6.831 -2.209 -24.955 1.00 18.46 C ATOM 2598 C GLU A 176 7.996 -1.395 -25.497 1.00 18.48 C ATOM 2599 O GLU A 176 8.900 -1.059 -24.738 1.00 18.35 O ATOM 2600 CB GLU A 176 6.704 -3.532 -25.708 1.00 18.91 C ATOM 2601 CG GLU A 176 5.573 -4.401 -25.187 1.00 19.00 C ATOM 2602 CD GLU A 176 5.415 -5.684 -25.965 1.00 19.35 C ATOM 2603 OE1 GLU A 176 4.845 -5.645 -27.072 1.00 19.40 O1- ATOM 2604 OE2 GLU A 176 5.870 -6.740 -25.480 1.00 19.67 O ATOM 0 H GLU A 176 5.362 -1.220 -26.062 1.00 17.97 H new ATOM 0 HA GLU A 176 7.023 -2.406 -23.900 1.00 18.46 H new ATOM 0 HB2 GLU A 176 6.541 -3.328 -26.766 1.00 18.91 H new ATOM 0 HB3 GLU A 176 7.643 -4.080 -25.630 1.00 18.91 H new ATOM 0 HG2 GLU A 176 5.756 -4.637 -24.139 1.00 19.00 H new ATOM 0 HG3 GLU A 176 4.640 -3.839 -25.229 1.00 19.00 H new ATOM 2611 N VAL A 177 7.957 -1.064 -26.788 1.00 18.75 N ATOM 2612 CA VAL A 177 9.046 -0.339 -27.462 1.00 18.92 C ATOM 2613 C VAL A 177 10.440 -0.743 -26.955 1.00 19.38 C ATOM 2614 O VAL A 177 10.905 -1.853 -27.222 1.00 19.52 O ATOM 2615 CB VAL A 177 8.872 1.206 -27.426 1.00 18.88 C ATOM 2616 CG1 VAL A 177 7.855 1.639 -28.467 1.00 19.38 C ATOM 2617 CG2 VAL A 177 8.448 1.717 -26.050 1.00 18.51 C ATOM 0 H VAL A 177 7.172 -1.289 -27.400 1.00 18.75 H new ATOM 0 HA VAL A 177 8.975 -0.645 -28.506 1.00 18.92 H new ATOM 0 HB VAL A 177 9.846 1.642 -27.650 1.00 18.88 H new ATOM 0 HG11 VAL A 177 7.740 2.722 -28.434 1.00 19.38 H new ATOM 0 HG12 VAL A 177 8.198 1.340 -29.457 1.00 19.38 H new ATOM 0 HG13 VAL A 177 6.896 1.166 -28.257 1.00 19.38 H new ATOM 0 HG21 VAL A 177 8.341 2.801 -26.082 1.00 18.51 H new ATOM 0 HG22 VAL A 177 7.495 1.266 -25.772 1.00 18.51 H new ATOM 0 HG23 VAL A 177 9.205 1.448 -25.313 1.00 18.51 H new ATOM 2627 N LEU A 178 11.102 0.128 -26.207 1.00 19.73 N ATOM 2628 CA LEU A 178 12.433 -0.183 -25.703 1.00 20.29 C ATOM 2629 C LEU A 178 12.446 -0.248 -24.180 1.00 20.67 C ATOM 2630 O LEU A 178 13.465 0.020 -23.542 1.00 20.64 O ATOM 2631 CB LEU A 178 13.460 0.837 -26.203 1.00 20.68 C ATOM 2632 CG LEU A 178 13.552 0.980 -27.725 1.00 20.91 C ATOM 2633 CD1 LEU A 178 14.576 2.036 -28.101 1.00 20.95 C ATOM 2634 CD2 LEU A 178 13.899 -0.352 -28.371 1.00 21.15 C ATOM 0 H LEU A 178 10.745 1.045 -25.938 1.00 19.73 H new ATOM 0 HA LEU A 178 12.708 -1.166 -26.086 1.00 20.29 H new ATOM 0 HB2 LEU A 178 13.218 1.811 -25.777 1.00 20.68 H new ATOM 0 HB3 LEU A 178 14.442 0.557 -25.821 1.00 20.68 H new ATOM 0 HG LEU A 178 12.577 1.297 -28.097 1.00 20.91 H new ATOM 0 HD11 LEU A 178 14.627 2.123 -29.186 1.00 20.95 H new ATOM 0 HD12 LEU A 178 14.284 2.995 -27.673 1.00 20.95 H new ATOM 0 HD13 LEU A 178 15.554 1.749 -27.714 1.00 20.95 H new ATOM 0 HD21 LEU A 178 13.959 -0.227 -29.452 1.00 21.15 H new ATOM 0 HD22 LEU A 178 14.860 -0.701 -27.992 1.00 21.15 H new ATOM 0 HD23 LEU A 178 13.127 -1.084 -28.133 1.00 21.15 H new ATOM 2646 N PHE A 179 11.315 -0.616 -23.601 1.00 21.16 N ATOM 2647 CA PHE A 179 11.216 -0.798 -22.160 1.00 21.69 C ATOM 2648 C PHE A 179 11.467 -2.265 -21.812 1.00 22.01 C ATOM 2649 O PHE A 179 11.344 -3.140 -22.672 1.00 22.11 O ATOM 2650 CB PHE A 179 9.830 -0.349 -21.670 1.00 22.17 C ATOM 2651 CG PHE A 179 9.669 -0.361 -20.175 1.00 22.45 C ATOM 2652 CD1 PHE A 179 10.218 0.644 -19.395 1.00 22.88 C ATOM 2653 CD2 PHE A 179 8.964 -1.378 -19.549 1.00 22.38 C ATOM 2654 CE1 PHE A 179 10.067 0.635 -18.022 1.00 23.25 C ATOM 2655 CE2 PHE A 179 8.811 -1.392 -18.177 1.00 22.75 C ATOM 2656 CZ PHE A 179 9.376 -0.389 -17.411 1.00 23.19 C ATOM 0 H PHE A 179 10.448 -0.796 -24.108 1.00 21.16 H new ATOM 0 HA PHE A 179 11.969 -0.188 -21.661 1.00 21.69 H new ATOM 0 HB2 PHE A 179 9.637 0.659 -22.037 1.00 22.17 H new ATOM 0 HB3 PHE A 179 9.074 -0.999 -22.111 1.00 22.17 H new ATOM 0 HD1 PHE A 179 10.770 1.444 -19.866 1.00 22.88 H new ATOM 0 HD2 PHE A 179 8.529 -2.169 -20.142 1.00 22.38 H new ATOM 0 HE1 PHE A 179 10.491 1.431 -17.427 1.00 23.25 H new ATOM 0 HE2 PHE A 179 8.251 -2.185 -17.703 1.00 22.75 H new ATOM 0 HZ PHE A 179 9.276 -0.408 -16.336 1.00 23.19 H new ATOM 2666 N GLN A 180 11.840 -2.534 -20.565 1.00 22.29 N ATOM 2667 CA GLN A 180 12.062 -3.901 -20.117 1.00 22.74 C ATOM 2668 C GLN A 180 11.217 -4.204 -18.878 1.00 22.89 C ATOM 2669 O GLN A 180 10.107 -4.749 -19.039 1.00 22.88 O ATOM 2670 CB GLN A 180 13.551 -4.155 -19.842 1.00 23.08 C ATOM 2671 CG GLN A 180 14.209 -3.127 -18.931 1.00 23.17 C ATOM 2672 CD GLN A 180 15.609 -3.526 -18.508 1.00 23.36 C ATOM 2673 OE1 GLN A 180 16.309 -4.251 -19.366 1.00 23.45 O flip ATOM 2674 NE2 GLN A 180 16.061 -3.184 -17.415 1.00 23.52 N flip ATOM 2675 OXT GLN A 180 11.658 -3.891 -17.752 1.00 23.12 O ATOM 0 H GLN A 180 11.994 -1.824 -19.849 1.00 22.29 H new ATOM 0 HA GLN A 180 11.752 -4.575 -20.915 1.00 22.74 H new ATOM 0 HB2 GLN A 180 13.662 -5.142 -19.394 1.00 23.08 H new ATOM 0 HB3 GLN A 180 14.085 -4.174 -20.792 1.00 23.08 H new ATOM 0 HG2 GLN A 180 14.250 -2.167 -19.445 1.00 23.17 H new ATOM 0 HG3 GLN A 180 13.592 -2.988 -18.043 1.00 23.17 H new ATOM 0 HE21 GLN A 180 15.491 -2.625 -16.780 1.00 23.52 H new ATOM 0 HE22 GLN A 180 17.005 -3.460 -17.145 1.00 23.52 H new TER 2684 GLN A 180 HETATM 2685 AG AG A 200 -10.282 -17.676 8.315 1.00 9.75 AG