USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 920 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 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.101 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -49:sc= 0.71 USER MOD Single : A 17 GLN : amide:sc= -0.228 K(o=-0.23,f=-1.2) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 84:sc= 0.299 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : B 31 MET CE :methyl 159:sc= -0.0788 (180deg=-0.856) USER MOD Single : B 34 SER OG : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 GLN : amide:sc= -1.52! C(o=-1.5!,f=-6.6!) USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 41 HIS : no HE2:sc= 0.969 K(o=0.97,f=-4.8!) USER MOD Single : B 43 SER OG : rot 180:sc= -0.123 USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 45 TYR OH : rot -120:sc= -0.378 USER MOD Single : B 52 LYS NZ :NH3+ -165:sc= -0.0478 (180deg=-0.311) USER MOD Single : B 53 ASN : amide:sc= -0.0311 X(o=-0.031,f=-0.1) USER MOD Single : B 54 SER OG : rot -160:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 THR OG1 : rot 180:sc= 0 USER MOD Single : B 66 HIS : no HD1:sc= -0.0557 X(o=-0.056,f=-0.0032) USER MOD Single : B 68 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 70 TYR OH : rot 180:sc= 0 USER MOD Single : B 71 THR OG1 : rot 180:sc= 0 USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 76 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0798) USER MOD Single : B 81 TYR OH : rot 180:sc= 0.891 USER MOD Single : B 84 GLN : amide:sc= 0.908 K(o=0.91,f=-3.7!) USER MOD Single : B 87 SER OG : rot 180:sc= 0 USER MOD Single : B 89 GLN : amide:sc= 0.423 K(o=0.42,f=-1) USER MOD Single : B 90 GLN : amide:sc= -2.38! K(o=-2.4!,f=-0.73) USER MOD Single : B 91 TYR OH : rot 30:sc= 0 USER MOD Single : B 93 HIS : no HE2:sc= 1.15 K(o=1.2,f=-5.4!) USER MOD Single : B 94 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : B 97 THR OG1 : rot -160:sc=-0.00309 USER MOD Single : B 102 THR OG1 : rot -76:sc= 0.719 USER MOD Single : B 103 THR OG1 : rot -164:sc= -1.11 USER MOD Single : B 104 THR OG1 : rot 180:sc= 0 USER MOD Single : B 105 SER OG : rot 180:sc= 0 USER MOD Single : B 106 THR OG1 : rot 180:sc= 0.0814 USER MOD Single : B 107 SER OG : rot 180:sc= 0 USER MOD Single : B 108 THR OG1 : rot 180:sc= 0 USER MOD Single : B 111 SER OG : rot 180:sc= 0.0533 USER MOD Single : B 113 SER OG : rot 180:sc= 0.0138 USER MOD Single : B 114 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.017) USER MOD Single : B 115 HIS : no HD1:sc= -0.0172 X(o=-0.017,f=-0.12) USER MOD Single : B 116 HIS : no HD1:sc= -1.16 K(o=-1.2,f=0.02) USER MOD Single : B 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.873 18.986 9.169 1.00 0.00 N ATOM 2 CA GLY A 1 -12.932 17.924 8.741 1.00 0.00 C ATOM 3 C GLY A 1 -12.411 17.126 9.915 1.00 0.00 C ATOM 4 O GLY A 1 -12.971 17.191 11.009 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.760 18.901 8.633 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.071 18.885 10.185 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.449 19.919 8.990 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.433 17.255 8.041 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.095 18.374 8.208 1.00 0.00 H new ATOM 10 N SER A 2 -11.344 16.370 9.691 1.00 0.00 N ATOM 11 CA SER A 2 -10.719 15.595 10.751 1.00 0.00 C ATOM 12 C SER A 2 -9.952 16.522 11.691 1.00 0.00 C ATOM 13 O SER A 2 -10.097 16.451 12.913 1.00 0.00 O ATOM 14 CB SER A 2 -9.783 14.552 10.140 1.00 0.00 C ATOM 15 OG SER A 2 -10.448 13.807 9.133 1.00 0.00 O ATOM 0 H SER A 2 -10.893 16.278 8.781 1.00 0.00 H new ATOM 0 HA SER A 2 -11.488 15.081 11.327 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.909 15.046 9.716 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.423 13.879 10.918 1.00 0.00 H new ATOM 0 HG SER A 2 -9.831 13.146 8.754 1.00 0.00 H new ATOM 21 N GLN A 3 -9.146 17.395 11.096 1.00 0.00 N ATOM 22 CA GLN A 3 -8.414 18.429 11.817 1.00 0.00 C ATOM 23 C GLN A 3 -7.635 19.268 10.819 1.00 0.00 C ATOM 24 O GLN A 3 -7.856 20.475 10.684 1.00 0.00 O ATOM 25 CB GLN A 3 -7.445 17.835 12.845 1.00 0.00 C ATOM 26 CG GLN A 3 -6.715 18.897 13.653 1.00 0.00 C ATOM 27 CD GLN A 3 -5.662 18.318 14.573 1.00 0.00 C ATOM 28 OE1 GLN A 3 -4.504 18.170 14.192 1.00 0.00 O ATOM 29 NE2 GLN A 3 -6.053 17.994 15.794 1.00 0.00 N ATOM 0 H GLN A 3 -8.981 17.404 10.089 1.00 0.00 H new ATOM 0 HA GLN A 3 -9.136 19.041 12.357 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.997 17.185 13.524 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.714 17.211 12.330 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -6.244 19.605 12.971 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.439 19.457 14.245 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -7.025 18.132 16.072 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -5.383 17.606 16.458 1.00 0.00 H new ATOM 38 N THR A 4 -6.739 18.607 10.109 1.00 0.00 N ATOM 39 CA THR A 4 -5.934 19.248 9.089 1.00 0.00 C ATOM 40 C THR A 4 -6.034 18.463 7.788 1.00 0.00 C ATOM 41 O THR A 4 -5.515 17.350 7.686 1.00 0.00 O ATOM 42 CB THR A 4 -4.459 19.338 9.521 1.00 0.00 C ATOM 43 OG1 THR A 4 -4.367 19.902 10.837 1.00 0.00 O ATOM 44 CG2 THR A 4 -3.658 20.189 8.545 1.00 0.00 C ATOM 0 H THR A 4 -6.550 17.611 10.224 1.00 0.00 H new ATOM 0 HA THR A 4 -6.313 20.260 8.943 1.00 0.00 H new ATOM 0 HB THR A 4 -4.044 18.330 9.526 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.426 19.954 11.105 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.619 20.237 8.872 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.705 19.744 7.551 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.075 21.195 8.512 1.00 0.00 H new ATOM 52 N THR A 5 -6.720 19.031 6.809 1.00 0.00 N ATOM 53 CA THR A 5 -6.916 18.371 5.529 1.00 0.00 C ATOM 54 C THR A 5 -5.645 18.437 4.678 1.00 0.00 C ATOM 55 O THR A 5 -5.583 19.145 3.668 1.00 0.00 O ATOM 56 CB THR A 5 -8.101 19.000 4.764 1.00 0.00 C ATOM 57 OG1 THR A 5 -9.245 19.072 5.625 1.00 0.00 O ATOM 58 CG2 THR A 5 -8.456 18.185 3.528 1.00 0.00 C ATOM 0 H THR A 5 -7.152 19.952 6.878 1.00 0.00 H new ATOM 0 HA THR A 5 -7.145 17.324 5.726 1.00 0.00 H new ATOM 0 HB THR A 5 -7.805 20.000 4.446 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.996 19.473 5.139 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.294 18.654 3.011 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.595 18.143 2.860 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.733 17.174 3.826 1.00 0.00 H new ATOM 66 N ALA A 6 -4.626 17.706 5.110 1.00 0.00 N ATOM 67 CA ALA A 6 -3.375 17.607 4.372 1.00 0.00 C ATOM 68 C ALA A 6 -2.646 16.300 4.699 1.00 0.00 C ATOM 69 O ALA A 6 -1.513 16.321 5.176 1.00 0.00 O ATOM 70 CB ALA A 6 -2.482 18.803 4.682 1.00 0.00 C ATOM 0 H ALA A 6 -4.643 17.168 5.977 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.608 17.608 3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.550 18.716 4.123 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.992 19.722 4.395 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.264 18.827 5.750 1.00 0.00 H new ATOM 76 N PRO A 7 -3.286 15.139 4.458 1.00 0.00 N ATOM 77 CA PRO A 7 -2.682 13.835 4.708 1.00 0.00 C ATOM 78 C PRO A 7 -1.836 13.371 3.524 1.00 0.00 C ATOM 79 O PRO A 7 -2.088 13.755 2.382 1.00 0.00 O ATOM 80 CB PRO A 7 -3.897 12.908 4.902 1.00 0.00 C ATOM 81 CG PRO A 7 -5.114 13.755 4.657 1.00 0.00 C ATOM 82 CD PRO A 7 -4.642 14.982 3.933 1.00 0.00 C ATOM 0 HA PRO A 7 -2.006 13.847 5.563 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.861 12.068 4.208 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -3.910 12.489 5.908 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.850 13.213 4.063 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -5.597 14.021 5.597 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.648 14.846 2.852 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.266 15.849 4.149 1.00 0.00 H new ATOM 90 N ASP A 8 -0.832 12.552 3.800 1.00 0.00 N ATOM 91 CA ASP A 8 0.059 12.058 2.755 1.00 0.00 C ATOM 92 C ASP A 8 -0.163 10.574 2.499 1.00 0.00 C ATOM 93 O ASP A 8 -0.327 10.148 1.358 1.00 0.00 O ATOM 94 CB ASP A 8 1.525 12.302 3.129 1.00 0.00 C ATOM 95 CG ASP A 8 1.958 13.739 2.920 1.00 0.00 C ATOM 96 OD1 ASP A 8 1.876 14.538 3.876 1.00 0.00 O ATOM 97 OD2 ASP A 8 2.401 14.075 1.801 1.00 0.00 O ATOM 0 H ASP A 8 -0.612 12.214 4.737 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.172 12.608 1.843 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.678 12.031 4.174 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.160 11.647 2.533 1.00 0.00 H new ATOM 102 N ALA A 9 -0.170 9.792 3.566 1.00 0.00 N ATOM 103 CA ALA A 9 -0.302 8.349 3.457 1.00 0.00 C ATOM 104 C ALA A 9 -1.627 7.879 4.045 1.00 0.00 C ATOM 105 O ALA A 9 -2.076 8.404 5.066 1.00 0.00 O ATOM 106 CB ALA A 9 0.855 7.677 4.169 1.00 0.00 C ATOM 0 H ALA A 9 -0.085 10.135 4.523 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.285 8.076 2.402 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.754 6.595 4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.794 7.990 3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.850 7.962 5.221 1.00 0.00 H new ATOM 112 N PRO A 10 -2.274 6.891 3.401 1.00 0.00 N ATOM 113 CA PRO A 10 -3.518 6.293 3.902 1.00 0.00 C ATOM 114 C PRO A 10 -3.339 5.683 5.293 1.00 0.00 C ATOM 115 O PRO A 10 -2.423 4.888 5.506 1.00 0.00 O ATOM 116 CB PRO A 10 -3.840 5.198 2.874 1.00 0.00 C ATOM 117 CG PRO A 10 -3.091 5.587 1.648 1.00 0.00 C ATOM 118 CD PRO A 10 -1.851 6.283 2.126 1.00 0.00 C ATOM 0 HA PRO A 10 -4.311 7.033 4.008 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.528 4.217 3.232 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.911 5.141 2.681 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.841 4.711 1.049 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.689 6.244 1.017 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -1.027 5.584 2.267 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.512 7.036 1.414 1.00 0.00 H new ATOM 126 N PRO A 11 -4.207 6.068 6.251 1.00 0.00 N ATOM 127 CA PRO A 11 -4.085 5.684 7.668 1.00 0.00 C ATOM 128 C PRO A 11 -3.718 4.216 7.887 1.00 0.00 C ATOM 129 O PRO A 11 -2.666 3.912 8.463 1.00 0.00 O ATOM 130 CB PRO A 11 -5.478 5.970 8.220 1.00 0.00 C ATOM 131 CG PRO A 11 -5.980 7.104 7.399 1.00 0.00 C ATOM 132 CD PRO A 11 -5.385 6.927 6.024 1.00 0.00 C ATOM 0 HA PRO A 11 -3.278 6.231 8.156 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.126 5.098 8.131 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.440 6.232 9.277 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.069 7.100 7.355 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.682 8.059 7.832 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.093 6.460 5.340 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.102 7.884 5.585 1.00 0.00 H new ATOM 140 N ASP A 12 -4.578 3.316 7.429 1.00 0.00 N ATOM 141 CA ASP A 12 -4.367 1.888 7.635 1.00 0.00 C ATOM 142 C ASP A 12 -5.011 1.073 6.523 1.00 0.00 C ATOM 143 O ASP A 12 -6.226 1.130 6.332 1.00 0.00 O ATOM 144 CB ASP A 12 -4.949 1.455 8.984 1.00 0.00 C ATOM 145 CG ASP A 12 -4.773 -0.029 9.249 1.00 0.00 C ATOM 146 OD1 ASP A 12 -5.726 -0.803 9.013 1.00 0.00 O ATOM 147 OD2 ASP A 12 -3.679 -0.431 9.706 1.00 0.00 O ATOM 0 H ASP A 12 -5.427 3.548 6.913 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.292 1.705 7.625 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.468 2.022 9.781 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.010 1.702 9.013 1.00 0.00 H new ATOM 152 N PRO A 13 -4.207 0.328 5.751 1.00 0.00 N ATOM 153 CA PRO A 13 -4.723 -0.636 4.788 1.00 0.00 C ATOM 154 C PRO A 13 -5.244 -1.872 5.506 1.00 0.00 C ATOM 155 O PRO A 13 -4.477 -2.608 6.135 1.00 0.00 O ATOM 156 CB PRO A 13 -3.507 -0.989 3.916 1.00 0.00 C ATOM 157 CG PRO A 13 -2.419 -0.054 4.336 1.00 0.00 C ATOM 158 CD PRO A 13 -2.745 0.372 5.739 1.00 0.00 C ATOM 0 HA PRO A 13 -5.554 -0.242 4.202 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.209 -2.027 4.063 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.737 -0.870 2.857 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.447 -0.546 4.295 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.369 0.808 3.670 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.313 -0.302 6.479 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.367 1.371 5.958 1.00 0.00 H new ATOM 166 N THR A 14 -6.539 -2.096 5.412 1.00 0.00 N ATOM 167 CA THR A 14 -7.185 -3.165 6.150 1.00 0.00 C ATOM 168 C THR A 14 -7.633 -4.270 5.204 1.00 0.00 C ATOM 169 O THR A 14 -8.077 -3.998 4.090 1.00 0.00 O ATOM 170 CB THR A 14 -8.405 -2.627 6.917 1.00 0.00 C ATOM 171 OG1 THR A 14 -8.099 -1.343 7.489 1.00 0.00 O ATOM 172 CG2 THR A 14 -8.823 -3.587 8.019 1.00 0.00 C ATOM 0 H THR A 14 -7.170 -1.548 4.827 1.00 0.00 H new ATOM 0 HA THR A 14 -6.464 -3.570 6.860 1.00 0.00 H new ATOM 0 HB THR A 14 -9.230 -2.527 6.212 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.244 -1.392 7.965 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.687 -3.182 8.545 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.083 -4.551 7.582 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.999 -3.717 8.721 1.00 0.00 H new ATOM 180 N VAL A 15 -7.499 -5.510 5.642 1.00 0.00 N ATOM 181 CA VAL A 15 -7.919 -6.643 4.839 1.00 0.00 C ATOM 182 C VAL A 15 -9.324 -7.085 5.232 1.00 0.00 C ATOM 183 O VAL A 15 -9.544 -7.573 6.340 1.00 0.00 O ATOM 184 CB VAL A 15 -6.936 -7.824 4.984 1.00 0.00 C ATOM 185 CG1 VAL A 15 -7.444 -9.047 4.239 1.00 0.00 C ATOM 186 CG2 VAL A 15 -5.554 -7.434 4.482 1.00 0.00 C ATOM 0 H VAL A 15 -7.103 -5.757 6.549 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.924 -6.327 3.796 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.863 -8.075 6.042 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.734 -9.866 4.356 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.411 -9.345 4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.552 -8.809 3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.875 -8.279 4.592 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.615 -7.152 3.431 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.181 -6.590 5.063 1.00 0.00 H new ATOM 196 N ASP A 16 -10.272 -6.894 4.328 1.00 0.00 N ATOM 197 CA ASP A 16 -11.657 -7.274 4.575 1.00 0.00 C ATOM 198 C ASP A 16 -12.136 -8.263 3.526 1.00 0.00 C ATOM 199 O ASP A 16 -11.474 -8.460 2.506 1.00 0.00 O ATOM 200 CB ASP A 16 -12.573 -6.045 4.557 1.00 0.00 C ATOM 201 CG ASP A 16 -12.345 -5.108 5.728 1.00 0.00 C ATOM 202 OD1 ASP A 16 -11.717 -4.046 5.539 1.00 0.00 O ATOM 203 OD2 ASP A 16 -12.815 -5.419 6.845 1.00 0.00 O ATOM 0 H ASP A 16 -10.108 -6.476 3.412 1.00 0.00 H new ATOM 0 HA ASP A 16 -11.699 -7.739 5.560 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -12.417 -5.498 3.627 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -13.612 -6.375 4.562 1.00 0.00 H new ATOM 208 N GLN A 17 -13.284 -8.885 3.798 1.00 0.00 N ATOM 209 CA GLN A 17 -13.966 -9.757 2.839 1.00 0.00 C ATOM 210 C GLN A 17 -13.038 -10.839 2.295 1.00 0.00 C ATOM 211 O GLN A 17 -12.772 -10.900 1.092 1.00 0.00 O ATOM 212 CB GLN A 17 -14.536 -8.926 1.686 1.00 0.00 C ATOM 213 CG GLN A 17 -15.432 -7.790 2.142 1.00 0.00 C ATOM 214 CD GLN A 17 -15.867 -6.893 1.001 1.00 0.00 C ATOM 215 OE1 GLN A 17 -16.032 -7.340 -0.135 1.00 0.00 O ATOM 216 NE2 GLN A 17 -16.039 -5.617 1.295 1.00 0.00 N ATOM 0 H GLN A 17 -13.769 -8.798 4.691 1.00 0.00 H new ATOM 0 HA GLN A 17 -14.780 -10.254 3.366 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -13.712 -8.516 1.102 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -15.102 -9.580 1.023 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -16.315 -8.203 2.631 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -14.905 -7.194 2.887 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -15.892 -5.289 2.250 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -16.319 -4.959 0.567 1.00 0.00 H new ATOM 225 N VAL A 18 -12.546 -11.684 3.186 1.00 0.00 N ATOM 226 CA VAL A 18 -11.656 -12.767 2.800 1.00 0.00 C ATOM 227 C VAL A 18 -12.455 -13.945 2.249 1.00 0.00 C ATOM 228 O VAL A 18 -13.219 -14.582 2.975 1.00 0.00 O ATOM 229 CB VAL A 18 -10.802 -13.243 3.994 1.00 0.00 C ATOM 230 CG1 VAL A 18 -9.825 -14.327 3.563 1.00 0.00 C ATOM 231 CG2 VAL A 18 -10.061 -12.072 4.624 1.00 0.00 C ATOM 0 H VAL A 18 -12.749 -11.641 4.185 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.991 -12.384 2.026 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.471 -13.668 4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.234 -14.647 4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.378 -15.178 3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.162 -13.934 2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.465 -12.428 5.464 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.406 -11.614 3.882 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.781 -11.334 4.977 1.00 0.00 H new ATOM 241 N ASP A 19 -12.287 -14.211 0.960 1.00 0.00 N ATOM 242 CA ASP A 19 -12.944 -15.340 0.311 1.00 0.00 C ATOM 243 C ASP A 19 -12.105 -16.597 0.497 1.00 0.00 C ATOM 244 O ASP A 19 -11.391 -16.738 1.490 1.00 0.00 O ATOM 245 CB ASP A 19 -13.128 -15.087 -1.191 1.00 0.00 C ATOM 246 CG ASP A 19 -13.886 -13.818 -1.516 1.00 0.00 C ATOM 247 OD1 ASP A 19 -15.097 -13.743 -1.211 1.00 0.00 O ATOM 248 OD2 ASP A 19 -13.286 -12.905 -2.116 1.00 0.00 O ATOM 0 H ASP A 19 -11.697 -13.657 0.339 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.925 -15.466 0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -12.147 -15.043 -1.664 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -13.655 -15.935 -1.629 1.00 0.00 H new ATOM 253 N ASP A 20 -12.195 -17.505 -0.468 1.00 0.00 N ATOM 254 CA ASP A 20 -11.396 -18.722 -0.458 1.00 0.00 C ATOM 255 C ASP A 20 -9.914 -18.380 -0.565 1.00 0.00 C ATOM 256 O ASP A 20 -9.101 -18.842 0.233 1.00 0.00 O ATOM 257 CB ASP A 20 -11.803 -19.639 -1.617 1.00 0.00 C ATOM 258 CG ASP A 20 -13.271 -20.017 -1.582 1.00 0.00 C ATOM 259 OD1 ASP A 20 -14.111 -19.190 -1.999 1.00 0.00 O ATOM 260 OD2 ASP A 20 -13.596 -21.142 -1.147 1.00 0.00 O ATOM 0 H ASP A 20 -12.818 -17.419 -1.271 1.00 0.00 H new ATOM 0 HA ASP A 20 -11.574 -19.244 0.482 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.583 -19.142 -2.562 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.199 -20.546 -1.586 1.00 0.00 H new ATOM 265 N THR A 21 -9.572 -17.561 -1.553 1.00 0.00 N ATOM 266 CA THR A 21 -8.193 -17.125 -1.750 1.00 0.00 C ATOM 267 C THR A 21 -8.130 -15.717 -2.338 1.00 0.00 C ATOM 268 O THR A 21 -7.254 -15.408 -3.144 1.00 0.00 O ATOM 269 CB THR A 21 -7.422 -18.098 -2.668 1.00 0.00 C ATOM 270 OG1 THR A 21 -8.337 -18.802 -3.522 1.00 0.00 O ATOM 271 CG2 THR A 21 -6.605 -19.093 -1.855 1.00 0.00 C ATOM 0 H THR A 21 -10.233 -17.184 -2.233 1.00 0.00 H new ATOM 0 HA THR A 21 -7.723 -17.117 -0.767 1.00 0.00 H new ATOM 0 HB THR A 21 -6.736 -17.511 -3.278 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.838 -19.415 -4.101 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.074 -19.765 -2.529 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.886 -18.555 -1.238 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.270 -19.673 -1.215 1.00 0.00 H new ATOM 279 N SER A 22 -9.054 -14.863 -1.927 1.00 0.00 N ATOM 280 CA SER A 22 -9.081 -13.485 -2.393 1.00 0.00 C ATOM 281 C SER A 22 -9.553 -12.562 -1.278 1.00 0.00 C ATOM 282 O SER A 22 -10.405 -12.939 -0.475 1.00 0.00 O ATOM 283 CB SER A 22 -9.985 -13.359 -3.623 1.00 0.00 C ATOM 284 OG SER A 22 -11.219 -14.028 -3.424 1.00 0.00 O ATOM 0 H SER A 22 -9.797 -15.100 -1.270 1.00 0.00 H new ATOM 0 HA SER A 22 -8.072 -13.189 -2.679 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.170 -12.306 -3.835 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.479 -13.776 -4.494 1.00 0.00 H new ATOM 0 HG SER A 22 -11.836 -13.440 -2.940 1.00 0.00 H new ATOM 290 N ILE A 23 -8.984 -11.367 -1.218 1.00 0.00 N ATOM 291 CA ILE A 23 -9.332 -10.408 -0.178 1.00 0.00 C ATOM 292 C ILE A 23 -9.712 -9.070 -0.784 1.00 0.00 C ATOM 293 O ILE A 23 -9.516 -8.837 -1.977 1.00 0.00 O ATOM 294 CB ILE A 23 -8.159 -10.144 0.789 1.00 0.00 C ATOM 295 CG1 ILE A 23 -7.065 -9.342 0.070 1.00 0.00 C ATOM 296 CG2 ILE A 23 -7.601 -11.452 1.331 1.00 0.00 C ATOM 297 CD1 ILE A 23 -6.135 -8.587 0.993 1.00 0.00 C ATOM 0 H ILE A 23 -8.279 -11.037 -1.877 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.168 -10.849 0.365 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.524 -9.562 1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.475 -10.024 -0.542 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.538 -8.633 -0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.775 -11.241 2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.385 -11.987 1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.243 -12.065 0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.394 -8.049 0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.710 -7.877 1.588 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.630 -9.290 1.655 1.00 0.00 H new ATOM 309 N VAL A 24 -10.243 -8.195 0.050 1.00 0.00 N ATOM 310 CA VAL A 24 -10.420 -6.803 -0.309 1.00 0.00 C ATOM 311 C VAL A 24 -9.586 -5.944 0.630 1.00 0.00 C ATOM 312 O VAL A 24 -9.928 -5.778 1.801 1.00 0.00 O ATOM 313 CB VAL A 24 -11.897 -6.363 -0.219 1.00 0.00 C ATOM 314 CG1 VAL A 24 -12.056 -4.913 -0.648 1.00 0.00 C ATOM 315 CG2 VAL A 24 -12.776 -7.264 -1.065 1.00 0.00 C ATOM 0 H VAL A 24 -10.562 -8.429 0.990 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.099 -6.678 -1.343 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.213 -6.449 0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -13.105 -4.625 -0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.459 -4.274 0.002 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.718 -4.799 -1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -13.813 -6.937 -0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -12.456 -7.212 -2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -12.692 -8.291 -0.710 1.00 0.00 H new ATOM 325 N VAL A 25 -8.486 -5.417 0.125 1.00 0.00 N ATOM 326 CA VAL A 25 -7.635 -4.553 0.923 1.00 0.00 C ATOM 327 C VAL A 25 -8.099 -3.109 0.769 1.00 0.00 C ATOM 328 O VAL A 25 -8.048 -2.532 -0.317 1.00 0.00 O ATOM 329 CB VAL A 25 -6.136 -4.712 0.553 1.00 0.00 C ATOM 330 CG1 VAL A 25 -5.926 -4.652 -0.950 1.00 0.00 C ATOM 331 CG2 VAL A 25 -5.279 -3.669 1.254 1.00 0.00 C ATOM 0 H VAL A 25 -8.162 -5.571 -0.830 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.723 -4.847 1.969 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.822 -5.697 0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.865 -4.767 -1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.487 -5.455 -1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.275 -3.691 -1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.235 -3.808 0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.605 -2.672 0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.383 -3.779 2.333 1.00 0.00 H new ATOM 341 N ARG A 26 -8.605 -2.558 1.861 1.00 0.00 N ATOM 342 CA ARG A 26 -9.211 -1.239 1.852 1.00 0.00 C ATOM 343 C ARG A 26 -8.271 -0.203 2.449 1.00 0.00 C ATOM 344 O ARG A 26 -7.540 -0.488 3.400 1.00 0.00 O ATOM 345 CB ARG A 26 -10.518 -1.256 2.649 1.00 0.00 C ATOM 346 CG ARG A 26 -11.533 -2.272 2.149 1.00 0.00 C ATOM 347 CD ARG A 26 -12.811 -2.233 2.973 1.00 0.00 C ATOM 348 NE ARG A 26 -13.442 -0.914 2.936 1.00 0.00 N ATOM 349 CZ ARG A 26 -14.735 -0.695 3.175 1.00 0.00 C ATOM 350 NH1 ARG A 26 -15.538 -1.701 3.497 1.00 0.00 N ATOM 351 NH2 ARG A 26 -15.219 0.538 3.105 1.00 0.00 N ATOM 0 H ARG A 26 -8.607 -3.012 2.775 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.416 -0.970 0.816 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.292 -1.468 3.694 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.966 -0.263 2.614 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.766 -2.071 1.103 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.101 -3.272 2.192 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.509 -2.980 2.596 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.586 -2.499 4.006 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.855 -0.110 2.713 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -15.167 -2.649 3.563 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.526 -1.527 3.679 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.602 1.315 2.869 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.208 0.709 3.287 1.00 0.00 H new ATOM 365 N TRP A 27 -8.297 0.994 1.896 1.00 0.00 N ATOM 366 CA TRP A 27 -7.508 2.101 2.408 1.00 0.00 C ATOM 367 C TRP A 27 -8.287 3.402 2.271 1.00 0.00 C ATOM 368 O TRP A 27 -9.073 3.571 1.339 1.00 0.00 O ATOM 369 CB TRP A 27 -6.167 2.199 1.667 1.00 0.00 C ATOM 370 CG TRP A 27 -6.300 2.251 0.172 1.00 0.00 C ATOM 371 CD1 TRP A 27 -6.672 3.327 -0.586 1.00 0.00 C ATOM 372 CD2 TRP A 27 -6.048 1.183 -0.748 1.00 0.00 C ATOM 373 NE1 TRP A 27 -6.686 2.984 -1.915 1.00 0.00 N ATOM 374 CE2 TRP A 27 -6.301 1.677 -2.041 1.00 0.00 C ATOM 375 CE3 TRP A 27 -5.639 -0.145 -0.604 1.00 0.00 C ATOM 376 CZ2 TRP A 27 -6.156 0.891 -3.180 1.00 0.00 C ATOM 377 CZ3 TRP A 27 -5.493 -0.924 -1.735 1.00 0.00 C ATOM 378 CH2 TRP A 27 -5.751 -0.405 -3.009 1.00 0.00 C ATOM 0 H TRP A 27 -8.864 1.228 1.081 1.00 0.00 H new ATOM 0 HA TRP A 27 -7.301 1.923 3.463 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -5.640 3.091 2.006 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -5.550 1.342 1.937 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -6.919 4.303 -0.196 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -6.942 3.603 -2.684 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -5.440 -0.555 0.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -6.356 1.289 -4.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -5.174 -1.951 -1.635 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -5.628 -1.040 -3.874 1.00 0.00 H new ATOM 389 N SER A 28 -8.088 4.308 3.209 1.00 0.00 N ATOM 390 CA SER A 28 -8.716 5.612 3.139 1.00 0.00 C ATOM 391 C SER A 28 -7.737 6.613 2.544 1.00 0.00 C ATOM 392 O SER A 28 -6.720 6.934 3.158 1.00 0.00 O ATOM 393 CB SER A 28 -9.165 6.059 4.533 1.00 0.00 C ATOM 394 OG SER A 28 -9.936 7.247 4.470 1.00 0.00 O ATOM 0 H SER A 28 -7.497 4.165 4.028 1.00 0.00 H new ATOM 0 HA SER A 28 -9.598 5.556 2.500 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.751 5.267 5.000 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.291 6.223 5.164 1.00 0.00 H new ATOM 0 HG SER A 28 -10.210 7.507 5.374 1.00 0.00 H new ATOM 400 N ARG A 29 -8.030 7.091 1.342 1.00 0.00 N ATOM 401 CA ARG A 29 -7.149 8.038 0.677 1.00 0.00 C ATOM 402 C ARG A 29 -7.203 9.391 1.378 1.00 0.00 C ATOM 403 O ARG A 29 -8.216 9.736 1.986 1.00 0.00 O ATOM 404 CB ARG A 29 -7.491 8.148 -0.821 1.00 0.00 C ATOM 405 CG ARG A 29 -8.869 8.711 -1.136 1.00 0.00 C ATOM 406 CD ARG A 29 -8.896 10.220 -0.994 1.00 0.00 C ATOM 407 NE ARG A 29 -10.214 10.784 -1.289 1.00 0.00 N ATOM 408 CZ ARG A 29 -10.525 12.076 -1.167 1.00 0.00 C ATOM 409 NH1 ARG A 29 -9.628 12.948 -0.716 1.00 0.00 N ATOM 410 NH2 ARG A 29 -11.742 12.495 -1.493 1.00 0.00 N ATOM 0 H ARG A 29 -8.865 6.840 0.812 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.124 7.673 0.743 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.742 8.777 -1.302 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.411 7.157 -1.268 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.153 8.435 -2.151 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.606 8.268 -0.467 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.606 10.492 0.021 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.157 10.659 -1.665 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.943 10.147 -1.609 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.693 12.631 -0.460 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.875 13.934 -0.626 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -12.436 11.830 -1.835 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.983 13.482 -1.401 1.00 0.00 H new ATOM 424 N PRO A 30 -6.092 10.141 1.343 1.00 0.00 N ATOM 425 CA PRO A 30 -6.026 11.493 1.906 1.00 0.00 C ATOM 426 C PRO A 30 -7.155 12.387 1.403 1.00 0.00 C ATOM 427 O PRO A 30 -7.072 12.867 0.253 1.00 0.00 O ATOM 428 CB PRO A 30 -4.674 12.012 1.415 1.00 0.00 C ATOM 429 CG PRO A 30 -3.848 10.788 1.239 1.00 0.00 C ATOM 430 CD PRO A 30 -4.797 9.720 0.776 1.00 0.00 C ATOM 431 OXT PRO A 30 -8.124 12.610 2.156 1.00 0.00 O ATOM 0 HA PRO A 30 -6.130 11.490 2.991 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.776 12.561 0.479 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.225 12.694 2.137 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.056 10.952 0.508 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.365 10.504 2.174 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.835 9.661 -0.312 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.501 8.736 1.138 1.00 0.00 H new TER 439 PRO A 30 ATOM 440 N MET B 31 -9.577 29.100 1.138 1.00 0.00 N ATOM 441 CA MET B 31 -10.422 28.679 -0.001 1.00 0.00 C ATOM 442 C MET B 31 -11.305 29.832 -0.462 1.00 0.00 C ATOM 443 O MET B 31 -12.184 30.287 0.271 1.00 0.00 O ATOM 444 CB MET B 31 -11.286 27.480 0.395 1.00 0.00 C ATOM 445 CG MET B 31 -12.207 26.990 -0.711 1.00 0.00 C ATOM 446 SD MET B 31 -11.324 26.568 -2.225 1.00 0.00 S ATOM 447 CE MET B 31 -12.635 25.782 -3.154 1.00 0.00 C ATOM 0 HA MET B 31 -9.772 28.387 -0.825 1.00 0.00 H new ATOM 0 HB2 MET B 31 -10.635 26.661 0.701 1.00 0.00 H new ATOM 0 HB3 MET B 31 -11.888 27.750 1.263 1.00 0.00 H new ATOM 0 HG2 MET B 31 -12.754 26.115 -0.360 1.00 0.00 H new ATOM 0 HG3 MET B 31 -12.945 27.761 -0.930 1.00 0.00 H new ATOM 0 HE1 MET B 31 -12.388 25.797 -4.216 1.00 0.00 H new ATOM 0 HE2 MET B 31 -12.748 24.750 -2.822 1.00 0.00 H new ATOM 0 HE3 MET B 31 -13.569 26.320 -2.991 1.00 0.00 H new ATOM 459 N ARG B 32 -11.060 30.306 -1.674 1.00 0.00 N ATOM 460 CA ARG B 32 -11.811 31.421 -2.232 1.00 0.00 C ATOM 461 C ARG B 32 -12.038 31.216 -3.726 1.00 0.00 C ATOM 462 O ARG B 32 -12.186 32.175 -4.484 1.00 0.00 O ATOM 463 CB ARG B 32 -11.069 32.737 -1.980 1.00 0.00 C ATOM 464 CG ARG B 32 -9.649 32.752 -2.523 1.00 0.00 C ATOM 465 CD ARG B 32 -8.947 34.059 -2.202 1.00 0.00 C ATOM 466 NE ARG B 32 -7.587 34.092 -2.732 1.00 0.00 N ATOM 467 CZ ARG B 32 -6.776 35.143 -2.635 1.00 0.00 C ATOM 468 NH1 ARG B 32 -7.176 36.236 -1.999 1.00 0.00 N ATOM 469 NH2 ARG B 32 -5.563 35.098 -3.168 1.00 0.00 N ATOM 0 H ARG B 32 -10.341 29.933 -2.294 1.00 0.00 H new ATOM 0 HA ARG B 32 -12.782 31.468 -1.740 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -11.631 33.553 -2.434 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -11.040 32.928 -0.907 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -9.086 31.921 -2.098 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -9.669 32.604 -3.603 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -9.518 34.889 -2.617 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -8.919 34.200 -1.122 1.00 0.00 H new ATOM 0 HE ARG B 32 -7.237 33.259 -3.205 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -8.107 36.272 -1.583 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -6.553 37.040 -1.926 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -5.250 34.257 -3.653 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -4.943 35.904 -3.093 1.00 0.00 H new ATOM 483 N GLY B 33 -12.055 29.959 -4.142 1.00 0.00 N ATOM 484 CA GLY B 33 -12.284 29.636 -5.534 1.00 0.00 C ATOM 485 C GLY B 33 -13.316 28.541 -5.688 1.00 0.00 C ATOM 486 O GLY B 33 -14.060 28.256 -4.749 1.00 0.00 O ATOM 0 H GLY B 33 -11.913 29.152 -3.535 1.00 0.00 H new ATOM 0 HA2 GLY B 33 -12.617 30.528 -6.065 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -11.347 29.322 -5.994 1.00 0.00 H new ATOM 490 N SER B 34 -13.355 27.915 -6.851 1.00 0.00 N ATOM 491 CA SER B 34 -14.307 26.846 -7.109 1.00 0.00 C ATOM 492 C SER B 34 -13.755 25.506 -6.623 1.00 0.00 C ATOM 493 O SER B 34 -14.462 24.719 -5.988 1.00 0.00 O ATOM 494 CB SER B 34 -14.627 26.789 -8.601 1.00 0.00 C ATOM 495 OG SER B 34 -15.063 28.057 -9.065 1.00 0.00 O ATOM 0 H SER B 34 -12.737 28.128 -7.634 1.00 0.00 H new ATOM 0 HA SER B 34 -15.226 27.050 -6.560 1.00 0.00 H new ATOM 0 HB2 SER B 34 -13.743 26.476 -9.157 1.00 0.00 H new ATOM 0 HB3 SER B 34 -15.400 26.043 -8.785 1.00 0.00 H new ATOM 0 HG SER B 34 -15.262 28.004 -10.023 1.00 0.00 H new ATOM 501 N ASN B 35 -12.487 25.260 -6.914 1.00 0.00 N ATOM 502 CA ASN B 35 -11.813 24.047 -6.468 1.00 0.00 C ATOM 503 C ASN B 35 -10.487 24.403 -5.821 1.00 0.00 C ATOM 504 O ASN B 35 -9.785 25.305 -6.283 1.00 0.00 O ATOM 505 CB ASN B 35 -11.573 23.077 -7.633 1.00 0.00 C ATOM 506 CG ASN B 35 -12.851 22.453 -8.164 1.00 0.00 C ATOM 507 OD1 ASN B 35 -13.292 21.406 -7.684 1.00 0.00 O ATOM 508 ND2 ASN B 35 -13.445 23.079 -9.167 1.00 0.00 N ATOM 0 H ASN B 35 -11.899 25.889 -7.461 1.00 0.00 H new ATOM 0 HA ASN B 35 -12.458 23.553 -5.742 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -11.072 23.608 -8.442 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -10.899 22.286 -7.306 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -14.300 22.697 -9.572 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -13.048 23.943 -9.536 1.00 0.00 H new ATOM 515 N ALA B 36 -10.159 23.710 -4.744 1.00 0.00 N ATOM 516 CA ALA B 36 -8.899 23.924 -4.054 1.00 0.00 C ATOM 517 C ALA B 36 -7.836 22.979 -4.598 1.00 0.00 C ATOM 518 O ALA B 36 -8.045 21.765 -4.638 1.00 0.00 O ATOM 519 CB ALA B 36 -9.075 23.720 -2.557 1.00 0.00 C ATOM 0 H ALA B 36 -10.751 22.991 -4.327 1.00 0.00 H new ATOM 0 HA ALA B 36 -8.575 24.950 -4.227 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -8.122 23.884 -2.053 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -9.813 24.427 -2.178 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -9.416 22.703 -2.366 1.00 0.00 H new ATOM 525 N PRO B 37 -6.695 23.521 -5.050 1.00 0.00 N ATOM 526 CA PRO B 37 -5.592 22.708 -5.562 1.00 0.00 C ATOM 527 C PRO B 37 -4.981 21.847 -4.462 1.00 0.00 C ATOM 528 O PRO B 37 -4.305 22.354 -3.562 1.00 0.00 O ATOM 529 CB PRO B 37 -4.583 23.742 -6.077 1.00 0.00 C ATOM 530 CG PRO B 37 -4.913 25.002 -5.353 1.00 0.00 C ATOM 531 CD PRO B 37 -6.392 24.962 -5.092 1.00 0.00 C ATOM 0 HA PRO B 37 -5.912 22.009 -6.335 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -3.559 23.428 -5.875 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -4.669 23.873 -7.156 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -4.355 25.072 -4.419 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -4.647 25.875 -5.949 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -6.647 25.453 -4.153 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -6.952 25.467 -5.879 1.00 0.00 H new ATOM 539 N GLN B 38 -5.240 20.551 -4.522 1.00 0.00 N ATOM 540 CA GLN B 38 -4.793 19.639 -3.483 1.00 0.00 C ATOM 541 C GLN B 38 -3.494 18.953 -3.874 1.00 0.00 C ATOM 542 O GLN B 38 -3.455 18.162 -4.817 1.00 0.00 O ATOM 543 CB GLN B 38 -5.868 18.588 -3.194 1.00 0.00 C ATOM 544 CG GLN B 38 -7.149 19.165 -2.612 1.00 0.00 C ATOM 545 CD GLN B 38 -6.965 19.734 -1.217 1.00 0.00 C ATOM 546 OE1 GLN B 38 -5.890 20.214 -0.856 1.00 0.00 O ATOM 547 NE2 GLN B 38 -8.016 19.680 -0.418 1.00 0.00 N ATOM 0 H GLN B 38 -5.758 20.107 -5.280 1.00 0.00 H new ATOM 0 HA GLN B 38 -4.614 20.226 -2.582 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -6.105 18.061 -4.118 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -5.465 17.850 -2.500 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -7.520 19.949 -3.272 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -7.911 18.386 -2.583 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -8.890 19.275 -0.752 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -7.953 20.043 0.533 1.00 0.00 H new ATOM 556 N PRO B 39 -2.408 19.238 -3.147 1.00 0.00 N ATOM 557 CA PRO B 39 -1.114 18.606 -3.392 1.00 0.00 C ATOM 558 C PRO B 39 -1.120 17.142 -2.968 1.00 0.00 C ATOM 559 O PRO B 39 -0.352 16.326 -3.480 1.00 0.00 O ATOM 560 CB PRO B 39 -0.149 19.415 -2.524 1.00 0.00 C ATOM 561 CG PRO B 39 -0.991 19.993 -1.440 1.00 0.00 C ATOM 562 CD PRO B 39 -2.356 20.203 -2.032 1.00 0.00 C ATOM 0 HA PRO B 39 -0.844 18.605 -4.448 1.00 0.00 H new ATOM 0 HB2 PRO B 39 0.639 18.782 -2.116 1.00 0.00 H new ATOM 0 HB3 PRO B 39 0.340 20.198 -3.103 1.00 0.00 H new ATOM 0 HG2 PRO B 39 -1.038 19.320 -0.584 1.00 0.00 H new ATOM 0 HG3 PRO B 39 -0.573 20.934 -1.083 1.00 0.00 H new ATOM 0 HD2 PRO B 39 -3.142 20.013 -1.302 1.00 0.00 H new ATOM 0 HD3 PRO B 39 -2.487 21.227 -2.382 1.00 0.00 H new ATOM 570 N SER B 40 -2.031 16.821 -2.061 1.00 0.00 N ATOM 571 CA SER B 40 -2.101 15.503 -1.456 1.00 0.00 C ATOM 572 C SER B 40 -2.990 14.549 -2.256 1.00 0.00 C ATOM 573 O SER B 40 -3.481 13.558 -1.718 1.00 0.00 O ATOM 574 CB SER B 40 -2.637 15.637 -0.031 1.00 0.00 C ATOM 575 OG SER B 40 -1.956 16.664 0.674 1.00 0.00 O ATOM 0 H SER B 40 -2.743 17.470 -1.725 1.00 0.00 H new ATOM 0 HA SER B 40 -1.096 15.080 -1.448 1.00 0.00 H new ATOM 0 HB2 SER B 40 -3.704 15.856 -0.059 1.00 0.00 H new ATOM 0 HB3 SER B 40 -2.520 14.690 0.496 1.00 0.00 H new ATOM 0 HG SER B 40 -2.317 16.732 1.582 1.00 0.00 H new ATOM 581 N HIS B 41 -3.209 14.838 -3.537 1.00 0.00 N ATOM 582 CA HIS B 41 -4.012 13.943 -4.361 1.00 0.00 C ATOM 583 C HIS B 41 -3.128 12.845 -4.945 1.00 0.00 C ATOM 584 O HIS B 41 -2.042 13.115 -5.466 1.00 0.00 O ATOM 585 CB HIS B 41 -4.788 14.700 -5.463 1.00 0.00 C ATOM 586 CG HIS B 41 -3.980 15.167 -6.644 1.00 0.00 C ATOM 587 ND1 HIS B 41 -3.604 16.478 -6.828 1.00 0.00 N ATOM 588 CD2 HIS B 41 -3.519 14.495 -7.728 1.00 0.00 C ATOM 589 CE1 HIS B 41 -2.952 16.593 -7.968 1.00 0.00 C ATOM 590 NE2 HIS B 41 -2.885 15.406 -8.537 1.00 0.00 N ATOM 0 H HIS B 41 -2.851 15.664 -4.016 1.00 0.00 H new ATOM 0 HA HIS B 41 -4.767 13.482 -3.724 1.00 0.00 H new ATOM 0 HB2 HIS B 41 -5.585 14.052 -5.828 1.00 0.00 H new ATOM 0 HB3 HIS B 41 -5.266 15.569 -5.010 1.00 0.00 H new ATOM 0 HD1 HIS B 41 -3.800 17.243 -6.182 1.00 0.00 H new ATOM 0 HD2 HIS B 41 -3.630 13.438 -7.920 1.00 0.00 H new ATOM 0 HE1 HIS B 41 -2.541 17.508 -8.369 1.00 0.00 H new ATOM 599 N ILE B 42 -3.589 11.610 -4.826 1.00 0.00 N ATOM 600 CA ILE B 42 -2.821 10.454 -5.269 1.00 0.00 C ATOM 601 C ILE B 42 -3.103 10.147 -6.736 1.00 0.00 C ATOM 602 O ILE B 42 -4.253 10.150 -7.176 1.00 0.00 O ATOM 603 CB ILE B 42 -3.118 9.207 -4.390 1.00 0.00 C ATOM 604 CG1 ILE B 42 -2.329 9.261 -3.074 1.00 0.00 C ATOM 605 CG2 ILE B 42 -2.792 7.917 -5.129 1.00 0.00 C ATOM 606 CD1 ILE B 42 -2.675 10.429 -2.179 1.00 0.00 C ATOM 0 H ILE B 42 -4.498 11.380 -4.424 1.00 0.00 H new ATOM 0 HA ILE B 42 -1.765 10.700 -5.161 1.00 0.00 H new ATOM 0 HB ILE B 42 -4.184 9.219 -4.165 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -2.501 8.336 -2.524 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -1.265 9.301 -3.305 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -3.011 7.064 -4.486 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.396 7.854 -6.034 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.735 7.908 -5.396 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -2.069 10.386 -1.274 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.475 11.362 -2.705 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -3.731 10.382 -1.912 1.00 0.00 H new ATOM 618 N SER B 43 -2.041 9.899 -7.485 1.00 0.00 N ATOM 619 CA SER B 43 -2.140 9.634 -8.906 1.00 0.00 C ATOM 620 C SER B 43 -2.391 8.149 -9.167 1.00 0.00 C ATOM 621 O SER B 43 -3.100 7.780 -10.105 1.00 0.00 O ATOM 622 CB SER B 43 -0.850 10.093 -9.590 1.00 0.00 C ATOM 623 OG SER B 43 0.277 9.416 -9.058 1.00 0.00 O ATOM 0 H SER B 43 -1.088 9.876 -7.123 1.00 0.00 H new ATOM 0 HA SER B 43 -2.985 10.187 -9.317 1.00 0.00 H new ATOM 0 HB2 SER B 43 -0.917 9.908 -10.662 1.00 0.00 H new ATOM 0 HB3 SER B 43 -0.728 11.168 -9.459 1.00 0.00 H new ATOM 0 HG SER B 43 1.089 9.725 -9.512 1.00 0.00 H new ATOM 629 N LYS B 44 -1.803 7.303 -8.324 1.00 0.00 N ATOM 630 CA LYS B 44 -1.961 5.858 -8.438 1.00 0.00 C ATOM 631 C LYS B 44 -1.503 5.169 -7.155 1.00 0.00 C ATOM 632 O LYS B 44 -0.663 5.700 -6.423 1.00 0.00 O ATOM 633 CB LYS B 44 -1.158 5.321 -9.629 1.00 0.00 C ATOM 634 CG LYS B 44 0.336 5.595 -9.532 1.00 0.00 C ATOM 635 CD LYS B 44 1.089 5.012 -10.715 1.00 0.00 C ATOM 636 CE LYS B 44 2.578 5.304 -10.625 1.00 0.00 C ATOM 637 NZ LYS B 44 3.342 4.658 -11.722 1.00 0.00 N ATOM 0 H LYS B 44 -1.209 7.598 -7.549 1.00 0.00 H new ATOM 0 HA LYS B 44 -3.017 5.643 -8.599 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -1.317 4.246 -9.708 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -1.542 5.768 -10.546 1.00 0.00 H new ATOM 0 HG2 LYS B 44 0.507 6.670 -9.485 1.00 0.00 H new ATOM 0 HG3 LYS B 44 0.725 5.170 -8.607 1.00 0.00 H new ATOM 0 HD2 LYS B 44 0.930 3.934 -10.754 1.00 0.00 H new ATOM 0 HD3 LYS B 44 0.691 5.426 -11.641 1.00 0.00 H new ATOM 0 HE2 LYS B 44 2.738 6.382 -10.658 1.00 0.00 H new ATOM 0 HE3 LYS B 44 2.958 4.955 -9.665 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 4.352 4.884 -11.621 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 3.211 3.627 -11.676 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 2.998 5.010 -12.638 1.00 0.00 H new ATOM 651 N TYR B 45 -2.065 3.998 -6.886 1.00 0.00 N ATOM 652 CA TYR B 45 -1.648 3.189 -5.749 1.00 0.00 C ATOM 653 C TYR B 45 -0.929 1.946 -6.254 1.00 0.00 C ATOM 654 O TYR B 45 -1.422 1.258 -7.151 1.00 0.00 O ATOM 655 CB TYR B 45 -2.842 2.744 -4.900 1.00 0.00 C ATOM 656 CG TYR B 45 -3.793 3.848 -4.505 1.00 0.00 C ATOM 657 CD1 TYR B 45 -3.565 4.630 -3.379 1.00 0.00 C ATOM 658 CD2 TYR B 45 -4.937 4.088 -5.248 1.00 0.00 C ATOM 659 CE1 TYR B 45 -4.453 5.622 -3.011 1.00 0.00 C ATOM 660 CE2 TYR B 45 -5.825 5.078 -4.890 1.00 0.00 C ATOM 661 CZ TYR B 45 -5.583 5.841 -3.772 1.00 0.00 C ATOM 662 OH TYR B 45 -6.475 6.820 -3.414 1.00 0.00 O ATOM 0 H TYR B 45 -2.814 3.586 -7.443 1.00 0.00 H new ATOM 0 HA TYR B 45 -0.990 3.800 -5.131 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -3.398 1.986 -5.452 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -2.467 2.267 -3.994 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -2.681 4.460 -2.783 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -5.136 3.488 -6.124 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -4.264 6.222 -2.133 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -6.709 5.254 -5.485 1.00 0.00 H new ATOM 0 HH TYR B 45 -7.353 6.418 -3.249 1.00 0.00 H new ATOM 672 N ILE B 46 0.232 1.669 -5.697 1.00 0.00 N ATOM 673 CA ILE B 46 0.976 0.475 -6.050 1.00 0.00 C ATOM 674 C ILE B 46 0.856 -0.553 -4.931 1.00 0.00 C ATOM 675 O ILE B 46 1.338 -0.339 -3.818 1.00 0.00 O ATOM 676 CB ILE B 46 2.471 0.780 -6.345 1.00 0.00 C ATOM 677 CG1 ILE B 46 2.629 1.547 -7.667 1.00 0.00 C ATOM 678 CG2 ILE B 46 3.292 -0.499 -6.388 1.00 0.00 C ATOM 679 CD1 ILE B 46 2.148 2.980 -7.622 1.00 0.00 C ATOM 0 H ILE B 46 0.683 2.256 -4.995 1.00 0.00 H new ATOM 0 HA ILE B 46 0.545 0.073 -6.967 1.00 0.00 H new ATOM 0 HB ILE B 46 2.842 1.405 -5.533 1.00 0.00 H new ATOM 0 HG12 ILE B 46 3.681 1.539 -7.954 1.00 0.00 H new ATOM 0 HG13 ILE B 46 2.082 1.018 -8.447 1.00 0.00 H new ATOM 0 HG21 ILE B 46 4.334 -0.256 -6.596 1.00 0.00 H new ATOM 0 HG22 ILE B 46 3.223 -1.008 -5.427 1.00 0.00 H new ATOM 0 HG23 ILE B 46 2.908 -1.152 -7.172 1.00 0.00 H new ATOM 0 HD11 ILE B 46 2.297 3.445 -8.597 1.00 0.00 H new ATOM 0 HD12 ILE B 46 1.088 3.000 -7.369 1.00 0.00 H new ATOM 0 HD13 ILE B 46 2.712 3.529 -6.868 1.00 0.00 H new ATOM 691 N LEU B 47 0.180 -1.652 -5.229 1.00 0.00 N ATOM 692 CA LEU B 47 -0.027 -2.718 -4.259 1.00 0.00 C ATOM 693 C LEU B 47 0.985 -3.824 -4.520 1.00 0.00 C ATOM 694 O LEU B 47 1.004 -4.409 -5.601 1.00 0.00 O ATOM 695 CB LEU B 47 -1.463 -3.261 -4.384 1.00 0.00 C ATOM 696 CG LEU B 47 -2.065 -3.953 -3.146 1.00 0.00 C ATOM 697 CD1 LEU B 47 -1.226 -5.136 -2.697 1.00 0.00 C ATOM 698 CD2 LEU B 47 -2.246 -2.963 -2.007 1.00 0.00 C ATOM 0 H LEU B 47 -0.238 -1.830 -6.142 1.00 0.00 H new ATOM 0 HA LEU B 47 0.111 -2.336 -3.248 1.00 0.00 H new ATOM 0 HB2 LEU B 47 -2.115 -2.432 -4.658 1.00 0.00 H new ATOM 0 HB3 LEU B 47 -1.485 -3.970 -5.211 1.00 0.00 H new ATOM 0 HG LEU B 47 -3.045 -4.335 -3.433 1.00 0.00 H new ATOM 0 HD11 LEU B 47 -1.685 -5.596 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU B 47 -1.168 -5.868 -3.503 1.00 0.00 H new ATOM 0 HD13 LEU B 47 -0.222 -4.795 -2.444 1.00 0.00 H new ATOM 0 HD21 LEU B 47 -2.672 -3.475 -1.144 1.00 0.00 H new ATOM 0 HD22 LEU B 47 -1.279 -2.539 -1.736 1.00 0.00 H new ATOM 0 HD23 LEU B 47 -2.917 -2.164 -2.323 1.00 0.00 H new ATOM 710 N ARG B 48 1.845 -4.088 -3.549 1.00 0.00 N ATOM 711 CA ARG B 48 2.834 -5.151 -3.680 1.00 0.00 C ATOM 712 C ARG B 48 2.769 -6.069 -2.475 1.00 0.00 C ATOM 713 O ARG B 48 2.775 -5.596 -1.343 1.00 0.00 O ATOM 714 CB ARG B 48 4.246 -4.575 -3.794 1.00 0.00 C ATOM 715 CG ARG B 48 4.378 -3.461 -4.815 1.00 0.00 C ATOM 716 CD ARG B 48 5.816 -2.993 -4.938 1.00 0.00 C ATOM 717 NE ARG B 48 6.395 -2.648 -3.640 1.00 0.00 N ATOM 718 CZ ARG B 48 7.696 -2.745 -3.357 1.00 0.00 C ATOM 719 NH1 ARG B 48 8.553 -3.149 -4.288 1.00 0.00 N ATOM 720 NH2 ARG B 48 8.143 -2.435 -2.144 1.00 0.00 N ATOM 0 H ARG B 48 1.880 -3.584 -2.663 1.00 0.00 H new ATOM 0 HA ARG B 48 2.608 -5.711 -4.587 1.00 0.00 H new ATOM 0 HB2 ARG B 48 4.553 -4.198 -2.819 1.00 0.00 H new ATOM 0 HB3 ARG B 48 4.935 -5.378 -4.057 1.00 0.00 H new ATOM 0 HG2 ARG B 48 4.023 -3.810 -5.785 1.00 0.00 H new ATOM 0 HG3 ARG B 48 3.744 -2.623 -4.526 1.00 0.00 H new ATOM 0 HD2 ARG B 48 6.413 -3.777 -5.404 1.00 0.00 H new ATOM 0 HD3 ARG B 48 5.859 -2.125 -5.596 1.00 0.00 H new ATOM 0 HE ARG B 48 5.768 -2.314 -2.908 1.00 0.00 H new ATOM 0 HH11 ARG B 48 8.218 -3.386 -5.222 1.00 0.00 H new ATOM 0 HH12 ARG B 48 9.547 -3.222 -4.069 1.00 0.00 H new ATOM 0 HH21 ARG B 48 7.491 -2.122 -1.425 1.00 0.00 H new ATOM 0 HH22 ARG B 48 9.138 -2.511 -1.932 1.00 0.00 H new ATOM 734 N TRP B 49 2.705 -7.369 -2.713 1.00 0.00 N ATOM 735 CA TRP B 49 2.661 -8.332 -1.624 1.00 0.00 C ATOM 736 C TRP B 49 3.560 -9.526 -1.919 1.00 0.00 C ATOM 737 O TRP B 49 3.720 -9.930 -3.071 1.00 0.00 O ATOM 738 CB TRP B 49 1.221 -8.799 -1.358 1.00 0.00 C ATOM 739 CG TRP B 49 0.635 -9.664 -2.439 1.00 0.00 C ATOM 740 CD1 TRP B 49 0.527 -11.025 -2.428 1.00 0.00 C ATOM 741 CD2 TRP B 49 0.072 -9.228 -3.681 1.00 0.00 C ATOM 742 NE1 TRP B 49 -0.070 -11.462 -3.585 1.00 0.00 N ATOM 743 CE2 TRP B 49 -0.357 -10.377 -4.373 1.00 0.00 C ATOM 744 CE3 TRP B 49 -0.109 -7.979 -4.276 1.00 0.00 C ATOM 745 CZ2 TRP B 49 -0.960 -10.308 -5.626 1.00 0.00 C ATOM 746 CZ3 TRP B 49 -0.706 -7.911 -5.519 1.00 0.00 C ATOM 747 CH2 TRP B 49 -1.126 -9.068 -6.182 1.00 0.00 C ATOM 0 H TRP B 49 2.682 -7.781 -3.646 1.00 0.00 H new ATOM 0 HA TRP B 49 3.030 -7.836 -0.727 1.00 0.00 H new ATOM 0 HB2 TRP B 49 1.199 -9.350 -0.418 1.00 0.00 H new ATOM 0 HB3 TRP B 49 0.587 -7.922 -1.228 1.00 0.00 H new ATOM 0 HD1 TRP B 49 0.863 -11.665 -1.626 1.00 0.00 H new ATOM 0 HE1 TRP B 49 -0.268 -12.435 -3.820 1.00 0.00 H new ATOM 0 HE3 TRP B 49 0.213 -7.080 -3.772 1.00 0.00 H new ATOM 0 HZ2 TRP B 49 -1.285 -11.200 -6.141 1.00 0.00 H new ATOM 0 HZ3 TRP B 49 -0.851 -6.948 -5.987 1.00 0.00 H new ATOM 0 HH2 TRP B 49 -1.591 -8.982 -7.153 1.00 0.00 H new ATOM 758 N ARG B 50 4.161 -10.070 -0.877 1.00 0.00 N ATOM 759 CA ARG B 50 4.980 -11.261 -1.005 1.00 0.00 C ATOM 760 C ARG B 50 4.655 -12.249 0.111 1.00 0.00 C ATOM 761 O ARG B 50 4.538 -11.867 1.279 1.00 0.00 O ATOM 762 CB ARG B 50 6.473 -10.914 -0.971 1.00 0.00 C ATOM 763 CG ARG B 50 6.934 -10.283 0.320 1.00 0.00 C ATOM 764 CD ARG B 50 8.445 -10.297 0.412 1.00 0.00 C ATOM 765 NE ARG B 50 8.879 -10.247 1.795 1.00 0.00 N ATOM 766 CZ ARG B 50 10.147 -10.184 2.189 1.00 0.00 C ATOM 767 NH1 ARG B 50 11.134 -10.176 1.298 1.00 0.00 N ATOM 768 NH2 ARG B 50 10.422 -10.144 3.481 1.00 0.00 N ATOM 0 H ARG B 50 4.097 -9.703 0.073 1.00 0.00 H new ATOM 0 HA ARG B 50 4.755 -11.718 -1.969 1.00 0.00 H new ATOM 0 HB2 ARG B 50 7.049 -11.823 -1.144 1.00 0.00 H new ATOM 0 HB3 ARG B 50 6.695 -10.234 -1.794 1.00 0.00 H new ATOM 0 HG2 ARG B 50 6.570 -9.257 0.379 1.00 0.00 H new ATOM 0 HG3 ARG B 50 6.508 -10.822 1.166 1.00 0.00 H new ATOM 0 HD2 ARG B 50 8.834 -11.197 -0.063 1.00 0.00 H new ATOM 0 HD3 ARG B 50 8.855 -9.447 -0.133 1.00 0.00 H new ATOM 0 HE ARG B 50 8.159 -10.261 2.518 1.00 0.00 H new ATOM 0 HH11 ARG B 50 10.922 -10.218 0.301 1.00 0.00 H new ATOM 0 HH12 ARG B 50 12.103 -10.127 1.611 1.00 0.00 H new ATOM 0 HH21 ARG B 50 9.665 -10.162 4.164 1.00 0.00 H new ATOM 0 HH22 ARG B 50 11.391 -10.096 3.795 1.00 0.00 H new ATOM 782 N PRO B 51 4.470 -13.526 -0.235 1.00 0.00 N ATOM 783 CA PRO B 51 4.293 -14.587 0.751 1.00 0.00 C ATOM 784 C PRO B 51 5.603 -14.894 1.462 1.00 0.00 C ATOM 785 O PRO B 51 6.649 -15.005 0.825 1.00 0.00 O ATOM 786 CB PRO B 51 3.846 -15.799 -0.075 1.00 0.00 C ATOM 787 CG PRO B 51 3.591 -15.286 -1.454 1.00 0.00 C ATOM 788 CD PRO B 51 4.408 -14.041 -1.607 1.00 0.00 C ATOM 0 HA PRO B 51 3.577 -14.312 1.526 1.00 0.00 H new ATOM 0 HB2 PRO B 51 4.615 -16.571 -0.082 1.00 0.00 H new ATOM 0 HB3 PRO B 51 2.947 -16.248 0.347 1.00 0.00 H new ATOM 0 HG2 PRO B 51 3.872 -16.028 -2.201 1.00 0.00 H new ATOM 0 HG3 PRO B 51 2.532 -15.074 -1.598 1.00 0.00 H new ATOM 0 HD2 PRO B 51 5.400 -14.254 -2.005 1.00 0.00 H new ATOM 0 HD3 PRO B 51 3.938 -13.329 -2.286 1.00 0.00 H new ATOM 796 N LYS B 52 5.537 -15.032 2.780 1.00 0.00 N ATOM 797 CA LYS B 52 6.720 -15.298 3.595 1.00 0.00 C ATOM 798 C LYS B 52 7.358 -16.643 3.247 1.00 0.00 C ATOM 799 O LYS B 52 8.541 -16.864 3.502 1.00 0.00 O ATOM 800 CB LYS B 52 6.344 -15.255 5.076 1.00 0.00 C ATOM 801 CG LYS B 52 6.081 -13.849 5.600 1.00 0.00 C ATOM 802 CD LYS B 52 7.368 -13.054 5.774 1.00 0.00 C ATOM 803 CE LYS B 52 8.220 -13.580 6.922 1.00 0.00 C ATOM 804 NZ LYS B 52 7.519 -13.489 8.231 1.00 0.00 N ATOM 0 H LYS B 52 4.670 -14.964 3.313 1.00 0.00 H new ATOM 0 HA LYS B 52 7.458 -14.524 3.383 1.00 0.00 H new ATOM 0 HB2 LYS B 52 5.454 -15.864 5.234 1.00 0.00 H new ATOM 0 HB3 LYS B 52 7.147 -15.706 5.659 1.00 0.00 H new ATOM 0 HG2 LYS B 52 5.421 -13.323 4.911 1.00 0.00 H new ATOM 0 HG3 LYS B 52 5.561 -13.910 6.556 1.00 0.00 H new ATOM 0 HD2 LYS B 52 7.944 -13.092 4.849 1.00 0.00 H new ATOM 0 HD3 LYS B 52 7.124 -12.007 5.955 1.00 0.00 H new ATOM 0 HE2 LYS B 52 8.488 -14.618 6.727 1.00 0.00 H new ATOM 0 HE3 LYS B 52 9.150 -13.014 6.970 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 8.206 -13.612 9.002 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 7.065 -12.557 8.318 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 6.795 -14.234 8.290 1.00 0.00 H new ATOM 818 N ASN B 53 6.567 -17.537 2.668 1.00 0.00 N ATOM 819 CA ASN B 53 7.062 -18.845 2.244 1.00 0.00 C ATOM 820 C ASN B 53 7.752 -18.750 0.888 1.00 0.00 C ATOM 821 O ASN B 53 8.418 -19.690 0.450 1.00 0.00 O ATOM 822 CB ASN B 53 5.923 -19.869 2.172 1.00 0.00 C ATOM 823 CG ASN B 53 4.925 -19.569 1.066 1.00 0.00 C ATOM 824 OD1 ASN B 53 5.089 -20.009 -0.072 1.00 0.00 O ATOM 825 ND2 ASN B 53 3.877 -18.831 1.396 1.00 0.00 N ATOM 0 H ASN B 53 5.577 -17.382 2.480 1.00 0.00 H new ATOM 0 HA ASN B 53 7.786 -19.178 2.988 1.00 0.00 H new ATOM 0 HB2 ASN B 53 6.344 -20.862 2.015 1.00 0.00 H new ATOM 0 HB3 ASN B 53 5.401 -19.892 3.129 1.00 0.00 H new ATOM 0 HD21 ASN B 53 3.169 -18.608 0.696 1.00 0.00 H new ATOM 0 HD22 ASN B 53 3.777 -18.485 2.350 1.00 0.00 H new ATOM 832 N SER B 54 7.588 -17.616 0.228 1.00 0.00 N ATOM 833 CA SER B 54 8.199 -17.392 -1.068 1.00 0.00 C ATOM 834 C SER B 54 9.453 -16.540 -0.909 1.00 0.00 C ATOM 835 O SER B 54 9.500 -15.643 -0.067 1.00 0.00 O ATOM 836 CB SER B 54 7.201 -16.711 -2.006 1.00 0.00 C ATOM 837 OG SER B 54 6.015 -17.482 -2.132 1.00 0.00 O ATOM 0 H SER B 54 7.033 -16.833 0.572 1.00 0.00 H new ATOM 0 HA SER B 54 8.482 -18.351 -1.502 1.00 0.00 H new ATOM 0 HB2 SER B 54 6.956 -15.720 -1.625 1.00 0.00 H new ATOM 0 HB3 SER B 54 7.655 -16.572 -2.987 1.00 0.00 H new ATOM 0 HG SER B 54 5.538 -17.218 -2.946 1.00 0.00 H new ATOM 843 N VAL B 55 10.475 -16.836 -1.693 1.00 0.00 N ATOM 844 CA VAL B 55 11.720 -16.107 -1.625 1.00 0.00 C ATOM 845 C VAL B 55 11.981 -15.375 -2.947 1.00 0.00 C ATOM 846 O VAL B 55 13.089 -14.910 -3.227 1.00 0.00 O ATOM 847 CB VAL B 55 12.877 -17.074 -1.287 1.00 0.00 C ATOM 848 CG1 VAL B 55 13.185 -18.001 -2.454 1.00 0.00 C ATOM 849 CG2 VAL B 55 14.105 -16.307 -0.857 1.00 0.00 C ATOM 0 H VAL B 55 10.462 -17.583 -2.388 1.00 0.00 H new ATOM 0 HA VAL B 55 11.655 -15.359 -0.835 1.00 0.00 H new ATOM 0 HB VAL B 55 12.559 -17.699 -0.452 1.00 0.00 H new ATOM 0 HG11 VAL B 55 14.003 -18.668 -2.183 1.00 0.00 H new ATOM 0 HG12 VAL B 55 12.300 -18.591 -2.693 1.00 0.00 H new ATOM 0 HG13 VAL B 55 13.472 -17.409 -3.323 1.00 0.00 H new ATOM 0 HG21 VAL B 55 14.908 -17.007 -0.624 1.00 0.00 H new ATOM 0 HG22 VAL B 55 14.422 -15.646 -1.664 1.00 0.00 H new ATOM 0 HG23 VAL B 55 13.872 -15.714 0.027 1.00 0.00 H new ATOM 859 N GLY B 56 10.934 -15.263 -3.753 1.00 0.00 N ATOM 860 CA GLY B 56 11.061 -14.636 -5.050 1.00 0.00 C ATOM 861 C GLY B 56 10.835 -13.137 -5.006 1.00 0.00 C ATOM 862 O GLY B 56 11.438 -12.428 -4.195 1.00 0.00 O ATOM 0 H GLY B 56 9.997 -15.597 -3.529 1.00 0.00 H new ATOM 0 HA2 GLY B 56 12.055 -14.837 -5.449 1.00 0.00 H new ATOM 0 HA3 GLY B 56 10.345 -15.086 -5.737 1.00 0.00 H new ATOM 866 N ARG B 57 9.962 -12.655 -5.874 1.00 0.00 N ATOM 867 CA ARG B 57 9.717 -11.226 -6.004 1.00 0.00 C ATOM 868 C ARG B 57 8.408 -10.829 -5.336 1.00 0.00 C ATOM 869 O ARG B 57 7.597 -11.684 -4.970 1.00 0.00 O ATOM 870 CB ARG B 57 9.658 -10.845 -7.482 1.00 0.00 C ATOM 871 CG ARG B 57 10.886 -11.251 -8.272 1.00 0.00 C ATOM 872 CD ARG B 57 10.735 -10.890 -9.737 1.00 0.00 C ATOM 873 NE ARG B 57 11.893 -11.296 -10.526 1.00 0.00 N ATOM 874 CZ ARG B 57 11.876 -11.429 -11.849 1.00 0.00 C ATOM 875 NH1 ARG B 57 10.765 -11.179 -12.532 1.00 0.00 N ATOM 876 NH2 ARG B 57 12.974 -11.812 -12.490 1.00 0.00 N ATOM 0 H ARG B 57 9.407 -13.235 -6.503 1.00 0.00 H new ATOM 0 HA ARG B 57 10.534 -10.698 -5.512 1.00 0.00 H new ATOM 0 HB2 ARG B 57 8.780 -11.308 -7.931 1.00 0.00 H new ATOM 0 HB3 ARG B 57 9.526 -9.766 -7.564 1.00 0.00 H new ATOM 0 HG2 ARG B 57 11.767 -10.757 -7.861 1.00 0.00 H new ATOM 0 HG3 ARG B 57 11.048 -12.324 -8.173 1.00 0.00 H new ATOM 0 HD2 ARG B 57 9.840 -11.367 -10.137 1.00 0.00 H new ATOM 0 HD3 ARG B 57 10.592 -9.814 -9.832 1.00 0.00 H new ATOM 0 HE ARG B 57 12.766 -11.489 -10.035 1.00 0.00 H new ATOM 0 HH11 ARG B 57 9.921 -10.884 -12.042 1.00 0.00 H new ATOM 0 HH12 ARG B 57 10.756 -11.282 -13.547 1.00 0.00 H new ATOM 0 HH21 ARG B 57 13.829 -12.004 -11.968 1.00 0.00 H new ATOM 0 HH22 ARG B 57 12.963 -11.915 -13.505 1.00 0.00 H new ATOM 890 N TRP B 58 8.214 -9.526 -5.177 1.00 0.00 N ATOM 891 CA TRP B 58 6.951 -8.990 -4.696 1.00 0.00 C ATOM 892 C TRP B 58 5.939 -8.999 -5.830 1.00 0.00 C ATOM 893 O TRP B 58 6.235 -8.530 -6.929 1.00 0.00 O ATOM 894 CB TRP B 58 7.121 -7.550 -4.194 1.00 0.00 C ATOM 895 CG TRP B 58 7.958 -7.407 -2.959 1.00 0.00 C ATOM 896 CD1 TRP B 58 9.311 -7.564 -2.853 1.00 0.00 C ATOM 897 CD2 TRP B 58 7.493 -7.050 -1.653 1.00 0.00 C ATOM 898 NE1 TRP B 58 9.712 -7.333 -1.559 1.00 0.00 N ATOM 899 CE2 TRP B 58 8.615 -7.016 -0.805 1.00 0.00 C ATOM 900 CE3 TRP B 58 6.235 -6.759 -1.118 1.00 0.00 C ATOM 901 CZ2 TRP B 58 8.517 -6.701 0.547 1.00 0.00 C ATOM 902 CZ3 TRP B 58 6.140 -6.446 0.224 1.00 0.00 C ATOM 903 CH2 TRP B 58 7.273 -6.420 1.043 1.00 0.00 C ATOM 0 H TRP B 58 8.921 -8.818 -5.376 1.00 0.00 H new ATOM 0 HA TRP B 58 6.605 -9.611 -3.870 1.00 0.00 H new ATOM 0 HB2 TRP B 58 7.568 -6.954 -4.989 1.00 0.00 H new ATOM 0 HB3 TRP B 58 6.134 -7.130 -3.997 1.00 0.00 H new ATOM 0 HD1 TRP B 58 9.969 -7.831 -3.667 1.00 0.00 H new ATOM 0 HE1 TRP B 58 10.671 -7.389 -1.216 1.00 0.00 H new ATOM 0 HE3 TRP B 58 5.354 -6.778 -1.742 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 9.391 -6.679 1.181 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 5.173 -6.217 0.648 1.00 0.00 H new ATOM 0 HH2 TRP B 58 7.164 -6.173 2.089 1.00 0.00 H new ATOM 914 N LYS B 59 4.760 -9.536 -5.577 1.00 0.00 N ATOM 915 CA LYS B 59 3.703 -9.512 -6.571 1.00 0.00 C ATOM 916 C LYS B 59 3.076 -8.129 -6.586 1.00 0.00 C ATOM 917 O LYS B 59 2.700 -7.604 -5.540 1.00 0.00 O ATOM 918 CB LYS B 59 2.651 -10.581 -6.275 1.00 0.00 C ATOM 919 CG LYS B 59 3.216 -11.993 -6.256 1.00 0.00 C ATOM 920 CD LYS B 59 2.135 -13.036 -6.010 1.00 0.00 C ATOM 921 CE LYS B 59 1.105 -13.054 -7.127 1.00 0.00 C ATOM 922 NZ LYS B 59 0.136 -14.169 -6.968 1.00 0.00 N ATOM 0 H LYS B 59 4.511 -9.991 -4.699 1.00 0.00 H new ATOM 0 HA LYS B 59 4.124 -9.732 -7.552 1.00 0.00 H new ATOM 0 HB2 LYS B 59 2.189 -10.369 -5.311 1.00 0.00 H new ATOM 0 HB3 LYS B 59 1.863 -10.523 -7.026 1.00 0.00 H new ATOM 0 HG2 LYS B 59 3.709 -12.199 -7.206 1.00 0.00 H new ATOM 0 HG3 LYS B 59 3.977 -12.069 -5.479 1.00 0.00 H new ATOM 0 HD2 LYS B 59 2.593 -14.021 -5.922 1.00 0.00 H new ATOM 0 HD3 LYS B 59 1.639 -12.829 -5.062 1.00 0.00 H new ATOM 0 HE2 LYS B 59 0.568 -12.105 -7.141 1.00 0.00 H new ATOM 0 HE3 LYS B 59 1.612 -13.148 -8.087 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -0.550 -14.147 -7.749 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 0.645 -15.076 -6.980 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -0.366 -14.066 -6.063 1.00 0.00 H new ATOM 936 N GLU B 60 2.983 -7.534 -7.762 1.00 0.00 N ATOM 937 CA GLU B 60 2.604 -6.133 -7.866 1.00 0.00 C ATOM 938 C GLU B 60 1.298 -5.953 -8.626 1.00 0.00 C ATOM 939 O GLU B 60 0.960 -6.741 -9.511 1.00 0.00 O ATOM 940 CB GLU B 60 3.713 -5.342 -8.558 1.00 0.00 C ATOM 941 CG GLU B 60 5.080 -5.534 -7.927 1.00 0.00 C ATOM 942 CD GLU B 60 6.164 -4.773 -8.653 1.00 0.00 C ATOM 943 OE1 GLU B 60 6.590 -5.223 -9.737 1.00 0.00 O ATOM 944 OE2 GLU B 60 6.609 -3.727 -8.138 1.00 0.00 O ATOM 0 H GLU B 60 3.163 -7.994 -8.654 1.00 0.00 H new ATOM 0 HA GLU B 60 2.457 -5.757 -6.853 1.00 0.00 H new ATOM 0 HB2 GLU B 60 3.761 -5.639 -9.606 1.00 0.00 H new ATOM 0 HB3 GLU B 60 3.459 -4.282 -8.539 1.00 0.00 H new ATOM 0 HG2 GLU B 60 5.046 -5.208 -6.887 1.00 0.00 H new ATOM 0 HG3 GLU B 60 5.328 -6.595 -7.920 1.00 0.00 H new ATOM 951 N ALA B 61 0.568 -4.914 -8.257 1.00 0.00 N ATOM 952 CA ALA B 61 -0.640 -4.517 -8.956 1.00 0.00 C ATOM 953 C ALA B 61 -0.764 -2.997 -8.936 1.00 0.00 C ATOM 954 O ALA B 61 -0.286 -2.344 -8.005 1.00 0.00 O ATOM 955 CB ALA B 61 -1.860 -5.160 -8.317 1.00 0.00 C ATOM 0 H ALA B 61 0.799 -4.320 -7.460 1.00 0.00 H new ATOM 0 HA ALA B 61 -0.582 -4.856 -9.990 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -2.757 -4.851 -8.854 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -1.765 -6.245 -8.362 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -1.934 -4.845 -7.276 1.00 0.00 H new ATOM 961 N THR B 62 -1.381 -2.435 -9.961 1.00 0.00 N ATOM 962 CA THR B 62 -1.551 -0.992 -10.041 1.00 0.00 C ATOM 963 C THR B 62 -3.023 -0.616 -9.910 1.00 0.00 C ATOM 964 O THR B 62 -3.871 -1.105 -10.660 1.00 0.00 O ATOM 965 CB THR B 62 -0.996 -0.431 -11.368 1.00 0.00 C ATOM 966 OG1 THR B 62 0.343 -0.904 -11.579 1.00 0.00 O ATOM 967 CG2 THR B 62 -1.001 1.092 -11.356 1.00 0.00 C ATOM 0 H THR B 62 -1.772 -2.953 -10.748 1.00 0.00 H new ATOM 0 HA THR B 62 -0.990 -0.554 -9.216 1.00 0.00 H new ATOM 0 HB THR B 62 -1.637 -0.777 -12.179 1.00 0.00 H new ATOM 0 HG1 THR B 62 0.687 -0.545 -12.423 1.00 0.00 H new ATOM 0 HG21 THR B 62 -0.606 1.465 -12.301 1.00 0.00 H new ATOM 0 HG22 THR B 62 -2.021 1.451 -11.222 1.00 0.00 H new ATOM 0 HG23 THR B 62 -0.379 1.451 -10.536 1.00 0.00 H new ATOM 975 N ILE B 63 -3.323 0.237 -8.945 1.00 0.00 N ATOM 976 CA ILE B 63 -4.685 0.687 -8.716 1.00 0.00 C ATOM 977 C ILE B 63 -4.799 2.175 -9.031 1.00 0.00 C ATOM 978 O ILE B 63 -3.996 2.975 -8.549 1.00 0.00 O ATOM 979 CB ILE B 63 -5.147 0.443 -7.255 1.00 0.00 C ATOM 980 CG1 ILE B 63 -5.070 -1.042 -6.882 1.00 0.00 C ATOM 981 CG2 ILE B 63 -6.567 0.950 -7.049 1.00 0.00 C ATOM 982 CD1 ILE B 63 -3.687 -1.512 -6.489 1.00 0.00 C ATOM 0 H ILE B 63 -2.636 0.634 -8.304 1.00 0.00 H new ATOM 0 HA ILE B 63 -5.330 0.106 -9.375 1.00 0.00 H new ATOM 0 HB ILE B 63 -4.470 0.996 -6.604 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -5.755 -1.234 -6.056 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.417 -1.636 -7.728 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -6.872 0.769 -6.018 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -6.605 2.019 -7.257 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -7.242 0.425 -7.724 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -3.720 -2.573 -6.240 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -3.000 -1.355 -7.320 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.343 -0.947 -5.623 1.00 0.00 H new ATOM 994 N PRO B 64 -5.779 2.554 -9.871 1.00 0.00 N ATOM 995 CA PRO B 64 -6.052 3.958 -10.198 1.00 0.00 C ATOM 996 C PRO B 64 -6.184 4.826 -8.949 1.00 0.00 C ATOM 997 O PRO B 64 -6.803 4.415 -7.963 1.00 0.00 O ATOM 998 CB PRO B 64 -7.387 3.888 -10.936 1.00 0.00 C ATOM 999 CG PRO B 64 -7.408 2.532 -11.548 1.00 0.00 C ATOM 1000 CD PRO B 64 -6.688 1.634 -10.583 1.00 0.00 C ATOM 0 HA PRO B 64 -5.247 4.409 -10.778 1.00 0.00 H new ATOM 0 HB2 PRO B 64 -8.225 4.028 -10.253 1.00 0.00 H new ATOM 0 HB3 PRO B 64 -7.461 4.667 -11.695 1.00 0.00 H new ATOM 0 HG2 PRO B 64 -8.431 2.192 -11.709 1.00 0.00 H new ATOM 0 HG3 PRO B 64 -6.916 2.535 -12.521 1.00 0.00 H new ATOM 0 HD2 PRO B 64 -7.380 1.143 -9.898 1.00 0.00 H new ATOM 0 HD3 PRO B 64 -6.139 0.847 -11.100 1.00 0.00 H new ATOM 1008 N GLY B 65 -5.630 6.034 -9.007 1.00 0.00 N ATOM 1009 CA GLY B 65 -5.586 6.909 -7.845 1.00 0.00 C ATOM 1010 C GLY B 65 -6.921 7.560 -7.530 1.00 0.00 C ATOM 1011 O GLY B 65 -7.013 8.780 -7.405 1.00 0.00 O ATOM 0 H GLY B 65 -5.206 6.427 -9.847 1.00 0.00 H new ATOM 0 HA2 GLY B 65 -5.257 6.335 -6.979 1.00 0.00 H new ATOM 0 HA3 GLY B 65 -4.841 7.687 -8.013 1.00 0.00 H new ATOM 1015 N HIS B 66 -7.956 6.743 -7.408 1.00 0.00 N ATOM 1016 CA HIS B 66 -9.284 7.219 -7.039 1.00 0.00 C ATOM 1017 C HIS B 66 -10.144 6.063 -6.545 1.00 0.00 C ATOM 1018 O HIS B 66 -11.372 6.130 -6.566 1.00 0.00 O ATOM 1019 CB HIS B 66 -9.967 7.945 -8.213 1.00 0.00 C ATOM 1020 CG HIS B 66 -9.927 7.203 -9.517 1.00 0.00 C ATOM 1021 ND1 HIS B 66 -9.130 7.589 -10.571 1.00 0.00 N ATOM 1022 CD2 HIS B 66 -10.598 6.106 -9.940 1.00 0.00 C ATOM 1023 CE1 HIS B 66 -9.313 6.765 -11.585 1.00 0.00 C ATOM 1024 NE2 HIS B 66 -10.197 5.856 -11.228 1.00 0.00 N ATOM 0 H HIS B 66 -7.902 5.736 -7.561 1.00 0.00 H new ATOM 0 HA HIS B 66 -9.170 7.939 -6.229 1.00 0.00 H new ATOM 0 HB2 HIS B 66 -11.008 8.134 -7.950 1.00 0.00 H new ATOM 0 HB3 HIS B 66 -9.491 8.916 -8.348 1.00 0.00 H new ATOM 0 HD2 HIS B 66 -11.315 5.534 -9.370 1.00 0.00 H new ATOM 0 HE1 HIS B 66 -8.821 6.825 -12.545 1.00 0.00 H new ATOM 0 HE2 HIS B 66 -10.530 5.090 -11.814 1.00 0.00 H new ATOM 1033 N LEU B 67 -9.484 4.996 -6.114 1.00 0.00 N ATOM 1034 CA LEU B 67 -10.169 3.841 -5.553 1.00 0.00 C ATOM 1035 C LEU B 67 -9.753 3.661 -4.098 1.00 0.00 C ATOM 1036 O LEU B 67 -8.741 4.219 -3.666 1.00 0.00 O ATOM 1037 CB LEU B 67 -9.846 2.574 -6.355 1.00 0.00 C ATOM 1038 CG LEU B 67 -10.226 2.620 -7.838 1.00 0.00 C ATOM 1039 CD1 LEU B 67 -9.948 1.283 -8.502 1.00 0.00 C ATOM 1040 CD2 LEU B 67 -11.687 3.006 -8.012 1.00 0.00 C ATOM 0 H LEU B 67 -8.468 4.907 -6.143 1.00 0.00 H new ATOM 0 HA LEU B 67 -11.244 4.011 -5.605 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -8.777 2.378 -6.277 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -10.359 1.731 -5.892 1.00 0.00 H new ATOM 0 HG LEU B 67 -9.613 3.381 -8.321 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -10.224 1.335 -9.555 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -8.887 1.048 -8.416 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -10.533 0.505 -8.012 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -11.933 3.032 -9.074 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -12.319 2.273 -7.511 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -11.858 3.990 -7.576 1.00 0.00 H new ATOM 1052 N ASN B 68 -10.529 2.889 -3.353 1.00 0.00 N ATOM 1053 CA ASN B 68 -10.288 2.716 -1.926 1.00 0.00 C ATOM 1054 C ASN B 68 -10.017 1.265 -1.563 1.00 0.00 C ATOM 1055 O ASN B 68 -9.777 0.953 -0.397 1.00 0.00 O ATOM 1056 CB ASN B 68 -11.483 3.212 -1.112 1.00 0.00 C ATOM 1057 CG ASN B 68 -11.541 4.718 -0.994 1.00 0.00 C ATOM 1058 OD1 ASN B 68 -12.142 5.399 -1.821 1.00 0.00 O ATOM 1059 ND2 ASN B 68 -10.920 5.248 0.046 1.00 0.00 N ATOM 0 H ASN B 68 -11.332 2.372 -3.711 1.00 0.00 H new ATOM 0 HA ASN B 68 -9.403 3.305 -1.687 1.00 0.00 H new ATOM 0 HB2 ASN B 68 -12.403 2.855 -1.575 1.00 0.00 H new ATOM 0 HB3 ASN B 68 -11.439 2.777 -0.113 1.00 0.00 H new ATOM 0 HD21 ASN B 68 -10.929 6.259 0.185 1.00 0.00 H new ATOM 0 HD22 ASN B 68 -10.432 4.646 0.710 1.00 0.00 H new ATOM 1066 N SER B 69 -10.061 0.375 -2.539 1.00 0.00 N ATOM 1067 CA SER B 69 -9.860 -1.035 -2.262 1.00 0.00 C ATOM 1068 C SER B 69 -9.404 -1.791 -3.500 1.00 0.00 C ATOM 1069 O SER B 69 -9.594 -1.334 -4.631 1.00 0.00 O ATOM 1070 CB SER B 69 -11.149 -1.648 -1.715 1.00 0.00 C ATOM 1071 OG SER B 69 -12.245 -1.395 -2.578 1.00 0.00 O ATOM 0 H SER B 69 -10.232 0.600 -3.519 1.00 0.00 H new ATOM 0 HA SER B 69 -9.072 -1.120 -1.514 1.00 0.00 H new ATOM 0 HB2 SER B 69 -11.020 -2.723 -1.593 1.00 0.00 H new ATOM 0 HB3 SER B 69 -11.359 -1.238 -0.727 1.00 0.00 H new ATOM 0 HG SER B 69 -13.056 -1.800 -2.205 1.00 0.00 H new ATOM 1077 N TYR B 70 -8.790 -2.943 -3.277 1.00 0.00 N ATOM 1078 CA TYR B 70 -8.368 -3.813 -4.360 1.00 0.00 C ATOM 1079 C TYR B 70 -8.561 -5.271 -3.968 1.00 0.00 C ATOM 1080 O TYR B 70 -8.277 -5.662 -2.834 1.00 0.00 O ATOM 1081 CB TYR B 70 -6.903 -3.552 -4.718 1.00 0.00 C ATOM 1082 CG TYR B 70 -6.388 -4.416 -5.850 1.00 0.00 C ATOM 1083 CD1 TYR B 70 -6.889 -4.275 -7.138 1.00 0.00 C ATOM 1084 CD2 TYR B 70 -5.402 -5.368 -5.631 1.00 0.00 C ATOM 1085 CE1 TYR B 70 -6.422 -5.060 -8.174 1.00 0.00 C ATOM 1086 CE2 TYR B 70 -4.930 -6.158 -6.661 1.00 0.00 C ATOM 1087 CZ TYR B 70 -5.442 -5.999 -7.931 1.00 0.00 C ATOM 1088 OH TYR B 70 -4.972 -6.781 -8.964 1.00 0.00 O ATOM 0 H TYR B 70 -8.572 -3.298 -2.346 1.00 0.00 H new ATOM 0 HA TYR B 70 -8.982 -3.599 -5.235 1.00 0.00 H new ATOM 0 HB2 TYR B 70 -6.787 -2.503 -4.992 1.00 0.00 H new ATOM 0 HB3 TYR B 70 -6.287 -3.721 -3.835 1.00 0.00 H new ATOM 0 HD1 TYR B 70 -7.656 -3.540 -7.332 1.00 0.00 H new ATOM 0 HD2 TYR B 70 -4.997 -5.493 -4.638 1.00 0.00 H new ATOM 0 HE1 TYR B 70 -6.823 -4.939 -9.170 1.00 0.00 H new ATOM 0 HE2 TYR B 70 -4.164 -6.896 -6.472 1.00 0.00 H new ATOM 0 HH TYR B 70 -4.283 -7.391 -8.626 1.00 0.00 H new ATOM 1098 N THR B 71 -9.058 -6.064 -4.899 1.00 0.00 N ATOM 1099 CA THR B 71 -9.250 -7.480 -4.665 1.00 0.00 C ATOM 1100 C THR B 71 -7.981 -8.257 -5.005 1.00 0.00 C ATOM 1101 O THR B 71 -7.697 -8.526 -6.176 1.00 0.00 O ATOM 1102 CB THR B 71 -10.425 -8.023 -5.498 1.00 0.00 C ATOM 1103 OG1 THR B 71 -11.593 -7.224 -5.262 1.00 0.00 O ATOM 1104 CG2 THR B 71 -10.716 -9.476 -5.152 1.00 0.00 C ATOM 0 H THR B 71 -9.337 -5.748 -5.828 1.00 0.00 H new ATOM 0 HA THR B 71 -9.479 -7.613 -3.608 1.00 0.00 H new ATOM 0 HB THR B 71 -10.152 -7.972 -6.552 1.00 0.00 H new ATOM 0 HG1 THR B 71 -12.339 -7.570 -5.794 1.00 0.00 H new ATOM 0 HG21 THR B 71 -11.550 -9.834 -5.755 1.00 0.00 H new ATOM 0 HG22 THR B 71 -9.834 -10.083 -5.357 1.00 0.00 H new ATOM 0 HG23 THR B 71 -10.972 -9.554 -4.095 1.00 0.00 H new ATOM 1112 N ILE B 72 -7.208 -8.593 -3.983 1.00 0.00 N ATOM 1113 CA ILE B 72 -6.004 -9.386 -4.172 1.00 0.00 C ATOM 1114 C ILE B 72 -6.373 -10.858 -4.243 1.00 0.00 C ATOM 1115 O ILE B 72 -6.969 -11.400 -3.310 1.00 0.00 O ATOM 1116 CB ILE B 72 -4.988 -9.185 -3.030 1.00 0.00 C ATOM 1117 CG1 ILE B 72 -4.679 -7.700 -2.828 1.00 0.00 C ATOM 1118 CG2 ILE B 72 -3.712 -9.958 -3.323 1.00 0.00 C ATOM 1119 CD1 ILE B 72 -3.705 -7.436 -1.698 1.00 0.00 C ATOM 0 H ILE B 72 -7.393 -8.329 -3.015 1.00 0.00 H new ATOM 0 HA ILE B 72 -5.540 -9.055 -5.101 1.00 0.00 H new ATOM 0 HB ILE B 72 -5.428 -9.566 -2.108 1.00 0.00 H new ATOM 0 HG12 ILE B 72 -4.270 -7.293 -3.753 1.00 0.00 H new ATOM 0 HG13 ILE B 72 -5.609 -7.167 -2.628 1.00 0.00 H new ATOM 0 HG21 ILE B 72 -3.001 -9.809 -2.510 1.00 0.00 H new ATOM 0 HG22 ILE B 72 -3.942 -11.020 -3.414 1.00 0.00 H new ATOM 0 HG23 ILE B 72 -3.276 -9.601 -4.256 1.00 0.00 H new ATOM 0 HD11 ILE B 72 -3.531 -6.364 -1.611 1.00 0.00 H new ATOM 0 HD12 ILE B 72 -4.121 -7.813 -0.764 1.00 0.00 H new ATOM 0 HD13 ILE B 72 -2.762 -7.941 -1.905 1.00 0.00 H new ATOM 1131 N LYS B 73 -6.035 -11.497 -5.348 1.00 0.00 N ATOM 1132 CA LYS B 73 -6.377 -12.893 -5.546 1.00 0.00 C ATOM 1133 C LYS B 73 -5.126 -13.758 -5.494 1.00 0.00 C ATOM 1134 O LYS B 73 -4.120 -13.453 -6.138 1.00 0.00 O ATOM 1135 CB LYS B 73 -7.105 -13.073 -6.876 1.00 0.00 C ATOM 1136 CG LYS B 73 -8.322 -12.175 -7.013 1.00 0.00 C ATOM 1137 CD LYS B 73 -9.091 -12.460 -8.288 1.00 0.00 C ATOM 1138 CE LYS B 73 -10.230 -11.470 -8.474 1.00 0.00 C ATOM 1139 NZ LYS B 73 -11.083 -11.812 -9.641 1.00 0.00 N ATOM 0 H LYS B 73 -5.524 -11.072 -6.122 1.00 0.00 H new ATOM 0 HA LYS B 73 -7.043 -13.209 -4.743 1.00 0.00 H new ATOM 0 HB2 LYS B 73 -6.414 -12.866 -7.693 1.00 0.00 H new ATOM 0 HB3 LYS B 73 -7.415 -14.113 -6.976 1.00 0.00 H new ATOM 0 HG2 LYS B 73 -8.977 -12.317 -6.154 1.00 0.00 H new ATOM 0 HG3 LYS B 73 -8.007 -11.132 -7.004 1.00 0.00 H new ATOM 0 HD2 LYS B 73 -8.416 -12.407 -9.143 1.00 0.00 H new ATOM 0 HD3 LYS B 73 -9.488 -13.475 -8.257 1.00 0.00 H new ATOM 0 HE2 LYS B 73 -10.842 -11.449 -7.572 1.00 0.00 H new ATOM 0 HE3 LYS B 73 -9.821 -10.468 -8.606 1.00 0.00 H new ATOM 0 HZ1 LYS B 73 -11.846 -11.111 -9.730 1.00 0.00 H new ATOM 0 HZ2 LYS B 73 -10.506 -11.807 -10.506 1.00 0.00 H new ATOM 0 HZ3 LYS B 73 -11.495 -12.757 -9.505 1.00 0.00 H new ATOM 1153 N GLY B 74 -5.194 -14.824 -4.714 1.00 0.00 N ATOM 1154 CA GLY B 74 -4.061 -15.705 -4.549 1.00 0.00 C ATOM 1155 C GLY B 74 -3.532 -15.697 -3.131 1.00 0.00 C ATOM 1156 O GLY B 74 -2.382 -16.065 -2.888 1.00 0.00 O ATOM 0 H GLY B 74 -6.024 -15.096 -4.187 1.00 0.00 H new ATOM 0 HA2 GLY B 74 -4.350 -16.720 -4.822 1.00 0.00 H new ATOM 0 HA3 GLY B 74 -3.267 -15.405 -5.233 1.00 0.00 H new ATOM 1160 N LEU B 75 -4.364 -15.261 -2.193 1.00 0.00 N ATOM 1161 CA LEU B 75 -3.969 -15.216 -0.791 1.00 0.00 C ATOM 1162 C LEU B 75 -4.606 -16.357 -0.014 1.00 0.00 C ATOM 1163 O LEU B 75 -5.826 -16.503 -0.001 1.00 0.00 O ATOM 1164 CB LEU B 75 -4.370 -13.885 -0.148 1.00 0.00 C ATOM 1165 CG LEU B 75 -3.803 -12.629 -0.806 1.00 0.00 C ATOM 1166 CD1 LEU B 75 -4.053 -11.419 0.075 1.00 0.00 C ATOM 1167 CD2 LEU B 75 -2.317 -12.784 -1.082 1.00 0.00 C ATOM 0 H LEU B 75 -5.313 -14.935 -2.377 1.00 0.00 H new ATOM 0 HA LEU B 75 -2.884 -15.316 -0.755 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -5.458 -13.815 -0.152 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -4.056 -13.899 0.896 1.00 0.00 H new ATOM 0 HG LEU B 75 -4.311 -12.483 -1.759 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -3.644 -10.529 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -5.125 -11.292 0.222 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -3.569 -11.566 1.041 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -1.937 -11.876 -1.551 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -1.789 -12.956 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -2.157 -13.631 -1.749 1.00 0.00 H new ATOM 1179 N LYS B 76 -3.779 -17.165 0.625 1.00 0.00 N ATOM 1180 CA LYS B 76 -4.272 -18.244 1.466 1.00 0.00 C ATOM 1181 C LYS B 76 -4.447 -17.756 2.901 1.00 0.00 C ATOM 1182 O LYS B 76 -3.492 -17.287 3.521 1.00 0.00 O ATOM 1183 CB LYS B 76 -3.303 -19.425 1.443 1.00 0.00 C ATOM 1184 CG LYS B 76 -3.117 -20.050 0.072 1.00 0.00 C ATOM 1185 CD LYS B 76 -2.146 -21.216 0.134 1.00 0.00 C ATOM 1186 CE LYS B 76 -1.995 -21.900 -1.212 1.00 0.00 C ATOM 1187 NZ LYS B 76 -1.422 -20.993 -2.245 1.00 0.00 N ATOM 0 H LYS B 76 -2.762 -17.095 0.578 1.00 0.00 H new ATOM 0 HA LYS B 76 -5.237 -18.569 1.076 1.00 0.00 H new ATOM 0 HB2 LYS B 76 -2.333 -19.092 1.813 1.00 0.00 H new ATOM 0 HB3 LYS B 76 -3.662 -20.189 2.133 1.00 0.00 H new ATOM 0 HG2 LYS B 76 -4.079 -20.393 -0.309 1.00 0.00 H new ATOM 0 HG3 LYS B 76 -2.746 -19.300 -0.627 1.00 0.00 H new ATOM 0 HD2 LYS B 76 -1.173 -20.860 0.471 1.00 0.00 H new ATOM 0 HD3 LYS B 76 -2.494 -21.939 0.872 1.00 0.00 H new ATOM 0 HE2 LYS B 76 -1.353 -22.774 -1.103 1.00 0.00 H new ATOM 0 HE3 LYS B 76 -2.969 -22.259 -1.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 76 -1.196 -21.540 -3.100 1.00 0.00 H new ATOM 0 HZ2 LYS B 76 -2.114 -20.253 -2.480 1.00 0.00 H new ATOM 0 HZ3 LYS B 76 -0.555 -20.551 -1.877 1.00 0.00 H new ATOM 1201 N PRO B 77 -5.667 -17.856 3.450 1.00 0.00 N ATOM 1202 CA PRO B 77 -5.939 -17.465 4.835 1.00 0.00 C ATOM 1203 C PRO B 77 -5.126 -18.293 5.826 1.00 0.00 C ATOM 1204 O PRO B 77 -5.258 -19.518 5.887 1.00 0.00 O ATOM 1205 CB PRO B 77 -7.437 -17.742 5.011 1.00 0.00 C ATOM 1206 CG PRO B 77 -7.986 -17.809 3.627 1.00 0.00 C ATOM 1207 CD PRO B 77 -6.876 -18.336 2.765 1.00 0.00 C ATOM 0 HA PRO B 77 -5.668 -16.427 5.025 1.00 0.00 H new ATOM 0 HB2 PRO B 77 -7.605 -18.676 5.547 1.00 0.00 H new ATOM 0 HB3 PRO B 77 -7.919 -16.953 5.588 1.00 0.00 H new ATOM 0 HG2 PRO B 77 -8.857 -18.463 3.584 1.00 0.00 H new ATOM 0 HG3 PRO B 77 -8.309 -16.825 3.288 1.00 0.00 H new ATOM 0 HD2 PRO B 77 -6.898 -19.424 2.700 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -6.941 -17.954 1.746 1.00 0.00 H new ATOM 1215 N GLY B 78 -4.280 -17.624 6.589 1.00 0.00 N ATOM 1216 CA GLY B 78 -3.454 -18.309 7.560 1.00 0.00 C ATOM 1217 C GLY B 78 -1.997 -18.254 7.173 1.00 0.00 C ATOM 1218 O GLY B 78 -1.112 -18.452 8.004 1.00 0.00 O ATOM 0 H GLY B 78 -4.149 -16.613 6.554 1.00 0.00 H new ATOM 0 HA2 GLY B 78 -3.590 -17.855 8.542 1.00 0.00 H new ATOM 0 HA3 GLY B 78 -3.772 -19.348 7.643 1.00 0.00 H new ATOM 1222 N VAL B 79 -1.752 -17.981 5.901 1.00 0.00 N ATOM 1223 CA VAL B 79 -0.401 -17.823 5.395 1.00 0.00 C ATOM 1224 C VAL B 79 0.012 -16.362 5.524 1.00 0.00 C ATOM 1225 O VAL B 79 -0.763 -15.463 5.205 1.00 0.00 O ATOM 1226 CB VAL B 79 -0.296 -18.279 3.920 1.00 0.00 C ATOM 1227 CG1 VAL B 79 1.096 -18.054 3.367 1.00 0.00 C ATOM 1228 CG2 VAL B 79 -0.668 -19.743 3.785 1.00 0.00 C ATOM 0 H VAL B 79 -2.480 -17.864 5.196 1.00 0.00 H new ATOM 0 HA VAL B 79 0.268 -18.451 5.983 1.00 0.00 H new ATOM 0 HB VAL B 79 -0.997 -17.675 3.343 1.00 0.00 H new ATOM 0 HG11 VAL B 79 1.133 -18.386 2.329 1.00 0.00 H new ATOM 0 HG12 VAL B 79 1.341 -16.993 3.418 1.00 0.00 H new ATOM 0 HG13 VAL B 79 1.817 -18.621 3.955 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -0.588 -20.044 2.740 1.00 0.00 H new ATOM 0 HG22 VAL B 79 0.008 -20.347 4.390 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -1.692 -19.891 4.128 1.00 0.00 H new ATOM 1238 N VAL B 80 1.216 -16.128 6.014 1.00 0.00 N ATOM 1239 CA VAL B 80 1.676 -14.773 6.261 1.00 0.00 C ATOM 1240 C VAL B 80 2.152 -14.106 4.975 1.00 0.00 C ATOM 1241 O VAL B 80 3.132 -14.532 4.358 1.00 0.00 O ATOM 1242 CB VAL B 80 2.810 -14.743 7.306 1.00 0.00 C ATOM 1243 CG1 VAL B 80 3.248 -13.313 7.589 1.00 0.00 C ATOM 1244 CG2 VAL B 80 2.369 -15.428 8.591 1.00 0.00 C ATOM 0 H VAL B 80 1.891 -16.856 6.248 1.00 0.00 H new ATOM 0 HA VAL B 80 0.824 -14.218 6.653 1.00 0.00 H new ATOM 0 HB VAL B 80 3.662 -15.286 6.898 1.00 0.00 H new ATOM 0 HG11 VAL B 80 4.048 -13.317 8.329 1.00 0.00 H new ATOM 0 HG12 VAL B 80 3.607 -12.854 6.668 1.00 0.00 H new ATOM 0 HG13 VAL B 80 2.402 -12.743 7.973 1.00 0.00 H new ATOM 0 HG21 VAL B 80 3.182 -15.397 9.317 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.499 -14.913 8.998 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.110 -16.466 8.380 1.00 0.00 H new ATOM 1254 N TYR B 81 1.435 -13.074 4.565 1.00 0.00 N ATOM 1255 CA TYR B 81 1.833 -12.272 3.421 1.00 0.00 C ATOM 1256 C TYR B 81 2.234 -10.880 3.882 1.00 0.00 C ATOM 1257 O TYR B 81 1.559 -10.283 4.722 1.00 0.00 O ATOM 1258 CB TYR B 81 0.692 -12.151 2.405 1.00 0.00 C ATOM 1259 CG TYR B 81 0.249 -13.458 1.789 1.00 0.00 C ATOM 1260 CD1 TYR B 81 -0.670 -14.273 2.433 1.00 0.00 C ATOM 1261 CD2 TYR B 81 0.733 -13.868 0.554 1.00 0.00 C ATOM 1262 CE1 TYR B 81 -1.092 -15.460 1.868 1.00 0.00 C ATOM 1263 CE2 TYR B 81 0.317 -15.056 -0.016 1.00 0.00 C ATOM 1264 CZ TYR B 81 -0.594 -15.845 0.645 1.00 0.00 C ATOM 1265 OH TYR B 81 -1.011 -17.028 0.078 1.00 0.00 O ATOM 0 H TYR B 81 0.569 -12.770 5.010 1.00 0.00 H new ATOM 0 HA TYR B 81 2.678 -12.767 2.942 1.00 0.00 H new ATOM 0 HB2 TYR B 81 -0.164 -11.688 2.895 1.00 0.00 H new ATOM 0 HB3 TYR B 81 1.005 -11.477 1.607 1.00 0.00 H new ATOM 0 HD1 TYR B 81 -1.063 -13.974 3.394 1.00 0.00 H new ATOM 0 HD2 TYR B 81 1.446 -13.248 0.030 1.00 0.00 H new ATOM 0 HE1 TYR B 81 -1.809 -16.082 2.383 1.00 0.00 H new ATOM 0 HE2 TYR B 81 0.706 -15.363 -0.976 1.00 0.00 H new ATOM 0 HH TYR B 81 -0.565 -17.152 -0.786 1.00 0.00 H new ATOM 1275 N GLU B 82 3.327 -10.373 3.339 1.00 0.00 N ATOM 1276 CA GLU B 82 3.739 -9.003 3.604 1.00 0.00 C ATOM 1277 C GLU B 82 3.403 -8.141 2.405 1.00 0.00 C ATOM 1278 O GLU B 82 3.683 -8.526 1.272 1.00 0.00 O ATOM 1279 CB GLU B 82 5.239 -8.918 3.866 1.00 0.00 C ATOM 1280 CG GLU B 82 5.717 -9.777 5.018 1.00 0.00 C ATOM 1281 CD GLU B 82 7.185 -9.569 5.301 1.00 0.00 C ATOM 1282 OE1 GLU B 82 8.021 -10.142 4.581 1.00 0.00 O ATOM 1283 OE2 GLU B 82 7.509 -8.828 6.252 1.00 0.00 O ATOM 0 H GLU B 82 3.946 -10.888 2.712 1.00 0.00 H new ATOM 0 HA GLU B 82 3.210 -8.653 4.490 1.00 0.00 H new ATOM 0 HB2 GLU B 82 5.772 -9.213 2.962 1.00 0.00 H new ATOM 0 HB3 GLU B 82 5.503 -7.880 4.067 1.00 0.00 H new ATOM 0 HG2 GLU B 82 5.138 -9.542 5.911 1.00 0.00 H new ATOM 0 HG3 GLU B 82 5.536 -10.827 4.788 1.00 0.00 H new ATOM 1290 N GLY B 83 2.805 -6.988 2.639 1.00 0.00 N ATOM 1291 CA GLY B 83 2.446 -6.135 1.534 1.00 0.00 C ATOM 1292 C GLY B 83 2.580 -4.669 1.846 1.00 0.00 C ATOM 1293 O GLY B 83 2.625 -4.268 3.009 1.00 0.00 O ATOM 0 H GLY B 83 2.564 -6.631 3.564 1.00 0.00 H new ATOM 0 HA2 GLY B 83 3.076 -6.376 0.678 1.00 0.00 H new ATOM 0 HA3 GLY B 83 1.417 -6.345 1.241 1.00 0.00 H new ATOM 1297 N GLN B 84 2.659 -3.869 0.797 1.00 0.00 N ATOM 1298 CA GLN B 84 2.835 -2.437 0.935 1.00 0.00 C ATOM 1299 C GLN B 84 1.939 -1.697 -0.043 1.00 0.00 C ATOM 1300 O GLN B 84 1.842 -2.068 -1.216 1.00 0.00 O ATOM 1301 CB GLN B 84 4.294 -2.050 0.679 1.00 0.00 C ATOM 1302 CG GLN B 84 5.290 -3.034 1.259 1.00 0.00 C ATOM 1303 CD GLN B 84 6.718 -2.544 1.195 1.00 0.00 C ATOM 1304 OE1 GLN B 84 7.089 -1.752 0.323 1.00 0.00 O ATOM 1305 NE2 GLN B 84 7.531 -3.037 2.107 1.00 0.00 N ATOM 0 H GLN B 84 2.603 -4.193 -0.169 1.00 0.00 H new ATOM 0 HA GLN B 84 2.564 -2.158 1.953 1.00 0.00 H new ATOM 0 HB2 GLN B 84 4.457 -1.970 -0.396 1.00 0.00 H new ATOM 0 HB3 GLN B 84 4.480 -1.064 1.104 1.00 0.00 H new ATOM 0 HG2 GLN B 84 5.028 -3.236 2.298 1.00 0.00 H new ATOM 0 HG3 GLN B 84 5.213 -3.979 0.721 1.00 0.00 H new ATOM 0 HE21 GLN B 84 7.177 -3.689 2.807 1.00 0.00 H new ATOM 0 HE22 GLN B 84 8.515 -2.767 2.113 1.00 0.00 H new ATOM 1314 N LEU B 85 1.280 -0.671 0.455 1.00 0.00 N ATOM 1315 CA LEU B 85 0.482 0.209 -0.371 1.00 0.00 C ATOM 1316 C LEU B 85 1.277 1.485 -0.616 1.00 0.00 C ATOM 1317 O LEU B 85 1.397 2.330 0.273 1.00 0.00 O ATOM 1318 CB LEU B 85 -0.862 0.502 0.329 1.00 0.00 C ATOM 1319 CG LEU B 85 -1.939 1.225 -0.500 1.00 0.00 C ATOM 1320 CD1 LEU B 85 -1.649 2.709 -0.614 1.00 0.00 C ATOM 1321 CD2 LEU B 85 -2.055 0.608 -1.885 1.00 0.00 C ATOM 0 H LEU B 85 1.283 -0.424 1.445 1.00 0.00 H new ATOM 0 HA LEU B 85 0.257 -0.257 -1.330 1.00 0.00 H new ATOM 0 HB2 LEU B 85 -1.278 -0.445 0.673 1.00 0.00 H new ATOM 0 HB3 LEU B 85 -0.658 1.102 1.216 1.00 0.00 H new ATOM 0 HG LEU B 85 -2.888 1.105 0.022 1.00 0.00 H new ATOM 0 HD11 LEU B 85 -2.429 3.188 -1.206 1.00 0.00 H new ATOM 0 HD12 LEU B 85 -1.625 3.152 0.381 1.00 0.00 H new ATOM 0 HD13 LEU B 85 -0.684 2.855 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU B 85 -2.822 1.134 -2.454 1.00 0.00 H new ATOM 0 HD22 LEU B 85 -1.099 0.691 -2.401 1.00 0.00 H new ATOM 0 HD23 LEU B 85 -2.328 -0.443 -1.793 1.00 0.00 H new ATOM 1333 N ILE B 86 1.862 1.602 -1.799 1.00 0.00 N ATOM 1334 CA ILE B 86 2.659 2.770 -2.133 1.00 0.00 C ATOM 1335 C ILE B 86 1.829 3.746 -2.956 1.00 0.00 C ATOM 1336 O ILE B 86 1.437 3.446 -4.081 1.00 0.00 O ATOM 1337 CB ILE B 86 3.949 2.419 -2.920 1.00 0.00 C ATOM 1338 CG1 ILE B 86 4.750 1.310 -2.223 1.00 0.00 C ATOM 1339 CG2 ILE B 86 4.821 3.656 -3.081 1.00 0.00 C ATOM 1340 CD1 ILE B 86 4.330 -0.093 -2.608 1.00 0.00 C ATOM 0 H ILE B 86 1.799 0.904 -2.540 1.00 0.00 H new ATOM 0 HA ILE B 86 2.962 3.220 -1.188 1.00 0.00 H new ATOM 0 HB ILE B 86 3.647 2.055 -3.902 1.00 0.00 H new ATOM 0 HG12 ILE B 86 5.807 1.438 -2.457 1.00 0.00 H new ATOM 0 HG13 ILE B 86 4.646 1.425 -1.144 1.00 0.00 H new ATOM 0 HG21 ILE B 86 5.723 3.396 -3.635 1.00 0.00 H new ATOM 0 HG22 ILE B 86 4.269 4.422 -3.626 1.00 0.00 H new ATOM 0 HG23 ILE B 86 5.096 4.037 -2.098 1.00 0.00 H new ATOM 0 HD11 ILE B 86 4.944 -0.817 -2.072 1.00 0.00 H new ATOM 0 HD12 ILE B 86 3.282 -0.243 -2.348 1.00 0.00 H new ATOM 0 HD13 ILE B 86 4.461 -0.230 -3.681 1.00 0.00 H new ATOM 1352 N SER B 87 1.549 4.900 -2.384 1.00 0.00 N ATOM 1353 CA SER B 87 0.768 5.916 -3.065 1.00 0.00 C ATOM 1354 C SER B 87 1.682 6.953 -3.706 1.00 0.00 C ATOM 1355 O SER B 87 2.617 7.443 -3.072 1.00 0.00 O ATOM 1356 CB SER B 87 -0.176 6.596 -2.078 1.00 0.00 C ATOM 1357 OG SER B 87 -0.949 5.640 -1.379 1.00 0.00 O ATOM 0 H SER B 87 1.852 5.159 -1.445 1.00 0.00 H new ATOM 0 HA SER B 87 0.183 5.436 -3.849 1.00 0.00 H new ATOM 0 HB2 SER B 87 0.400 7.192 -1.370 1.00 0.00 H new ATOM 0 HB3 SER B 87 -0.834 7.282 -2.612 1.00 0.00 H new ATOM 0 HG SER B 87 -1.546 6.098 -0.751 1.00 0.00 H new ATOM 1363 N ILE B 88 1.422 7.266 -4.966 1.00 0.00 N ATOM 1364 CA ILE B 88 2.175 8.294 -5.667 1.00 0.00 C ATOM 1365 C ILE B 88 1.383 9.594 -5.674 1.00 0.00 C ATOM 1366 O ILE B 88 0.218 9.610 -6.063 1.00 0.00 O ATOM 1367 CB ILE B 88 2.485 7.879 -7.123 1.00 0.00 C ATOM 1368 CG1 ILE B 88 3.138 6.491 -7.163 1.00 0.00 C ATOM 1369 CG2 ILE B 88 3.385 8.909 -7.796 1.00 0.00 C ATOM 1370 CD1 ILE B 88 4.449 6.402 -6.412 1.00 0.00 C ATOM 0 H ILE B 88 0.694 6.822 -5.525 1.00 0.00 H new ATOM 0 HA ILE B 88 3.121 8.431 -5.142 1.00 0.00 H new ATOM 0 HB ILE B 88 1.544 7.833 -7.671 1.00 0.00 H new ATOM 0 HG12 ILE B 88 2.443 5.762 -6.746 1.00 0.00 H new ATOM 0 HG13 ILE B 88 3.308 6.211 -8.203 1.00 0.00 H new ATOM 0 HG21 ILE B 88 3.591 8.598 -8.820 1.00 0.00 H new ATOM 0 HG22 ILE B 88 2.886 9.878 -7.805 1.00 0.00 H new ATOM 0 HG23 ILE B 88 4.322 8.988 -7.245 1.00 0.00 H new ATOM 0 HD11 ILE B 88 4.845 5.389 -6.489 1.00 0.00 H new ATOM 0 HD12 ILE B 88 5.163 7.104 -6.842 1.00 0.00 H new ATOM 0 HD13 ILE B 88 4.285 6.648 -5.363 1.00 0.00 H new ATOM 1382 N GLN B 89 2.000 10.674 -5.219 1.00 0.00 N ATOM 1383 CA GLN B 89 1.322 11.962 -5.167 1.00 0.00 C ATOM 1384 C GLN B 89 1.639 12.823 -6.380 1.00 0.00 C ATOM 1385 O GLN B 89 2.382 12.413 -7.271 1.00 0.00 O ATOM 1386 CB GLN B 89 1.705 12.731 -3.905 1.00 0.00 C ATOM 1387 CG GLN B 89 1.220 12.107 -2.611 1.00 0.00 C ATOM 1388 CD GLN B 89 1.543 12.983 -1.419 1.00 0.00 C ATOM 1389 OE1 GLN B 89 1.608 14.208 -1.536 1.00 0.00 O ATOM 1390 NE2 GLN B 89 1.758 12.372 -0.270 1.00 0.00 N ATOM 0 H GLN B 89 2.963 10.686 -4.882 1.00 0.00 H new ATOM 0 HA GLN B 89 0.253 11.748 -5.159 1.00 0.00 H new ATOM 0 HB2 GLN B 89 2.791 12.819 -3.865 1.00 0.00 H new ATOM 0 HB3 GLN B 89 1.305 13.742 -3.977 1.00 0.00 H new ATOM 0 HG2 GLN B 89 0.143 11.946 -2.664 1.00 0.00 H new ATOM 0 HG3 GLN B 89 1.683 11.129 -2.481 1.00 0.00 H new ATOM 0 HE21 GLN B 89 1.695 11.356 -0.213 1.00 0.00 H new ATOM 0 HE22 GLN B 89 1.987 12.916 0.562 1.00 0.00 H new ATOM 1399 N GLN B 90 1.087 14.030 -6.379 1.00 0.00 N ATOM 1400 CA GLN B 90 1.274 14.985 -7.468 1.00 0.00 C ATOM 1401 C GLN B 90 2.754 15.221 -7.772 1.00 0.00 C ATOM 1402 O GLN B 90 3.171 15.225 -8.931 1.00 0.00 O ATOM 1403 CB GLN B 90 0.617 16.313 -7.092 1.00 0.00 C ATOM 1404 CG GLN B 90 0.712 17.374 -8.175 1.00 0.00 C ATOM 1405 CD GLN B 90 0.294 18.748 -7.690 1.00 0.00 C ATOM 1406 OE1 GLN B 90 0.780 19.762 -8.185 1.00 0.00 O ATOM 1407 NE2 GLN B 90 -0.591 18.792 -6.708 1.00 0.00 N ATOM 0 H GLN B 90 0.496 14.376 -5.623 1.00 0.00 H new ATOM 0 HA GLN B 90 0.811 14.568 -8.363 1.00 0.00 H new ATOM 0 HB2 GLN B 90 -0.434 16.135 -6.862 1.00 0.00 H new ATOM 0 HB3 GLN B 90 1.083 16.693 -6.183 1.00 0.00 H new ATOM 0 HG2 GLN B 90 1.737 17.420 -8.543 1.00 0.00 H new ATOM 0 HG3 GLN B 90 0.084 17.084 -9.017 1.00 0.00 H new ATOM 0 HE21 GLN B 90 -0.971 17.926 -6.324 1.00 0.00 H new ATOM 0 HE22 GLN B 90 -0.894 19.691 -6.334 1.00 0.00 H new ATOM 1416 N TYR B 91 3.547 15.402 -6.723 1.00 0.00 N ATOM 1417 CA TYR B 91 4.956 15.752 -6.879 1.00 0.00 C ATOM 1418 C TYR B 91 5.825 14.510 -7.048 1.00 0.00 C ATOM 1419 O TYR B 91 7.050 14.584 -6.947 1.00 0.00 O ATOM 1420 CB TYR B 91 5.437 16.553 -5.666 1.00 0.00 C ATOM 1421 CG TYR B 91 4.617 17.792 -5.381 1.00 0.00 C ATOM 1422 CD1 TYR B 91 4.898 18.997 -6.011 1.00 0.00 C ATOM 1423 CD2 TYR B 91 3.562 17.753 -4.480 1.00 0.00 C ATOM 1424 CE1 TYR B 91 4.151 20.131 -5.746 1.00 0.00 C ATOM 1425 CE2 TYR B 91 2.811 18.880 -4.213 1.00 0.00 C ATOM 1426 CZ TYR B 91 3.108 20.065 -4.847 1.00 0.00 C ATOM 1427 OH TYR B 91 2.360 21.191 -4.581 1.00 0.00 O ATOM 0 H TYR B 91 3.240 15.313 -5.755 1.00 0.00 H new ATOM 0 HA TYR B 91 5.049 16.359 -7.780 1.00 0.00 H new ATOM 0 HB2 TYR B 91 5.419 15.908 -4.787 1.00 0.00 H new ATOM 0 HB3 TYR B 91 6.475 16.846 -5.825 1.00 0.00 H new ATOM 0 HD1 TYR B 91 5.712 19.050 -6.719 1.00 0.00 H new ATOM 0 HD2 TYR B 91 3.325 16.826 -3.980 1.00 0.00 H new ATOM 0 HE1 TYR B 91 4.384 21.062 -6.241 1.00 0.00 H new ATOM 0 HE2 TYR B 91 1.993 18.832 -3.509 1.00 0.00 H new ATOM 0 HH TYR B 91 2.343 21.767 -5.373 1.00 0.00 H new ATOM 1437 N GLY B 92 5.191 13.373 -7.301 1.00 0.00 N ATOM 1438 CA GLY B 92 5.925 12.130 -7.442 1.00 0.00 C ATOM 1439 C GLY B 92 6.407 11.602 -6.108 1.00 0.00 C ATOM 1440 O GLY B 92 7.300 10.758 -6.048 1.00 0.00 O ATOM 0 H GLY B 92 4.180 13.289 -7.411 1.00 0.00 H new ATOM 0 HA2 GLY B 92 5.288 11.385 -7.918 1.00 0.00 H new ATOM 0 HA3 GLY B 92 6.780 12.286 -8.100 1.00 0.00 H new ATOM 1444 N HIS B 93 5.818 12.109 -5.032 1.00 0.00 N ATOM 1445 CA HIS B 93 6.197 11.691 -3.692 1.00 0.00 C ATOM 1446 C HIS B 93 5.582 10.335 -3.398 1.00 0.00 C ATOM 1447 O HIS B 93 4.381 10.140 -3.593 1.00 0.00 O ATOM 1448 CB HIS B 93 5.736 12.716 -2.654 1.00 0.00 C ATOM 1449 CG HIS B 93 6.648 12.813 -1.470 1.00 0.00 C ATOM 1450 ND1 HIS B 93 6.349 12.295 -0.229 1.00 0.00 N ATOM 1451 CD2 HIS B 93 7.869 13.382 -1.350 1.00 0.00 C ATOM 1452 CE1 HIS B 93 7.346 12.542 0.599 1.00 0.00 C ATOM 1453 NE2 HIS B 93 8.280 13.199 -0.056 1.00 0.00 N ATOM 0 H HIS B 93 5.077 12.809 -5.063 1.00 0.00 H new ATOM 0 HA HIS B 93 7.283 11.619 -3.636 1.00 0.00 H new ATOM 0 HB2 HIS B 93 5.663 13.695 -3.128 1.00 0.00 H new ATOM 0 HB3 HIS B 93 4.735 12.451 -2.312 1.00 0.00 H new ATOM 0 HD1 HIS B 93 5.491 11.798 0.012 1.00 0.00 H new ATOM 0 HD2 HIS B 93 8.419 13.887 -2.130 1.00 0.00 H new ATOM 0 HE1 HIS B 93 7.389 12.254 1.639 1.00 0.00 H new ATOM 1462 N GLN B 94 6.400 9.401 -2.945 1.00 0.00 N ATOM 1463 CA GLN B 94 5.941 8.044 -2.710 1.00 0.00 C ATOM 1464 C GLN B 94 5.639 7.825 -1.235 1.00 0.00 C ATOM 1465 O GLN B 94 6.505 8.009 -0.378 1.00 0.00 O ATOM 1466 CB GLN B 94 6.992 7.038 -3.185 1.00 0.00 C ATOM 1467 CG GLN B 94 7.401 7.230 -4.637 1.00 0.00 C ATOM 1468 CD GLN B 94 8.349 6.152 -5.126 1.00 0.00 C ATOM 1469 OE1 GLN B 94 9.129 5.593 -4.355 1.00 0.00 O ATOM 1470 NE2 GLN B 94 8.290 5.855 -6.415 1.00 0.00 N ATOM 0 H GLN B 94 7.385 9.558 -2.733 1.00 0.00 H new ATOM 0 HA GLN B 94 5.023 7.892 -3.277 1.00 0.00 H new ATOM 0 HB2 GLN B 94 7.876 7.122 -2.553 1.00 0.00 H new ATOM 0 HB3 GLN B 94 6.602 6.028 -3.056 1.00 0.00 H new ATOM 0 HG2 GLN B 94 6.509 7.235 -5.264 1.00 0.00 H new ATOM 0 HG3 GLN B 94 7.876 8.204 -4.750 1.00 0.00 H new ATOM 0 HE21 GLN B 94 7.629 6.342 -7.021 1.00 0.00 H new ATOM 0 HE22 GLN B 94 8.905 5.140 -6.802 1.00 0.00 H new ATOM 1479 N GLU B 95 4.404 7.451 -0.945 1.00 0.00 N ATOM 1480 CA GLU B 95 4.006 7.124 0.414 1.00 0.00 C ATOM 1481 C GLU B 95 3.833 5.621 0.547 1.00 0.00 C ATOM 1482 O GLU B 95 2.948 5.039 -0.074 1.00 0.00 O ATOM 1483 CB GLU B 95 2.699 7.828 0.781 1.00 0.00 C ATOM 1484 CG GLU B 95 2.758 9.338 0.648 1.00 0.00 C ATOM 1485 CD GLU B 95 3.904 9.954 1.425 1.00 0.00 C ATOM 1486 OE1 GLU B 95 4.477 10.951 0.947 1.00 0.00 O ATOM 1487 OE2 GLU B 95 4.248 9.440 2.512 1.00 0.00 O ATOM 0 H GLU B 95 3.658 7.366 -1.635 1.00 0.00 H new ATOM 0 HA GLU B 95 4.785 7.465 1.095 1.00 0.00 H new ATOM 0 HB2 GLU B 95 1.901 7.447 0.144 1.00 0.00 H new ATOM 0 HB3 GLU B 95 2.436 7.573 1.808 1.00 0.00 H new ATOM 0 HG2 GLU B 95 2.857 9.601 -0.405 1.00 0.00 H new ATOM 0 HG3 GLU B 95 1.818 9.765 0.997 1.00 0.00 H new ATOM 1494 N VAL B 96 4.680 4.997 1.348 1.00 0.00 N ATOM 1495 CA VAL B 96 4.661 3.551 1.486 1.00 0.00 C ATOM 1496 C VAL B 96 4.020 3.142 2.805 1.00 0.00 C ATOM 1497 O VAL B 96 4.607 3.313 3.873 1.00 0.00 O ATOM 1498 CB VAL B 96 6.084 2.960 1.399 1.00 0.00 C ATOM 1499 CG1 VAL B 96 6.049 1.441 1.484 1.00 0.00 C ATOM 1500 CG2 VAL B 96 6.771 3.416 0.118 1.00 0.00 C ATOM 0 H VAL B 96 5.388 5.468 1.911 1.00 0.00 H new ATOM 0 HA VAL B 96 4.068 3.155 0.662 1.00 0.00 H new ATOM 0 HB VAL B 96 6.660 3.328 2.248 1.00 0.00 H new ATOM 0 HG11 VAL B 96 7.064 1.050 1.420 1.00 0.00 H new ATOM 0 HG12 VAL B 96 5.603 1.140 2.432 1.00 0.00 H new ATOM 0 HG13 VAL B 96 5.455 1.044 0.661 1.00 0.00 H new ATOM 0 HG21 VAL B 96 7.774 2.991 0.072 1.00 0.00 H new ATOM 0 HG22 VAL B 96 6.194 3.080 -0.744 1.00 0.00 H new ATOM 0 HG23 VAL B 96 6.838 4.504 0.108 1.00 0.00 H new ATOM 1510 N THR B 97 2.814 2.609 2.724 1.00 0.00 N ATOM 1511 CA THR B 97 2.111 2.130 3.898 1.00 0.00 C ATOM 1512 C THR B 97 2.102 0.601 3.918 1.00 0.00 C ATOM 1513 O THR B 97 1.470 -0.036 3.077 1.00 0.00 O ATOM 1514 CB THR B 97 0.669 2.669 3.920 1.00 0.00 C ATOM 1515 OG1 THR B 97 0.681 4.078 3.661 1.00 0.00 O ATOM 1516 CG2 THR B 97 0.013 2.410 5.264 1.00 0.00 C ATOM 0 H THR B 97 2.299 2.497 1.851 1.00 0.00 H new ATOM 0 HA THR B 97 2.630 2.492 4.785 1.00 0.00 H new ATOM 0 HB THR B 97 0.097 2.153 3.149 1.00 0.00 H new ATOM 0 HG1 THR B 97 -0.156 4.476 3.979 1.00 0.00 H new ATOM 0 HG21 THR B 97 -1.005 2.800 5.253 1.00 0.00 H new ATOM 0 HG22 THR B 97 -0.012 1.337 5.456 1.00 0.00 H new ATOM 0 HG23 THR B 97 0.584 2.906 6.049 1.00 0.00 H new ATOM 1524 N ARG B 98 2.815 0.018 4.872 1.00 0.00 N ATOM 1525 CA ARG B 98 2.978 -1.432 4.924 1.00 0.00 C ATOM 1526 C ARG B 98 1.829 -2.096 5.681 1.00 0.00 C ATOM 1527 O ARG B 98 1.255 -1.507 6.600 1.00 0.00 O ATOM 1528 CB ARG B 98 4.309 -1.790 5.586 1.00 0.00 C ATOM 1529 CG ARG B 98 5.518 -1.186 4.889 1.00 0.00 C ATOM 1530 CD ARG B 98 6.810 -1.557 5.598 1.00 0.00 C ATOM 1531 NE ARG B 98 6.801 -1.148 7.002 1.00 0.00 N ATOM 1532 CZ ARG B 98 7.763 -1.454 7.870 1.00 0.00 C ATOM 1533 NH1 ARG B 98 8.829 -2.136 7.472 1.00 0.00 N ATOM 1534 NH2 ARG B 98 7.659 -1.073 9.137 1.00 0.00 N ATOM 0 H ARG B 98 3.290 0.524 5.620 1.00 0.00 H new ATOM 0 HA ARG B 98 2.970 -1.804 3.900 1.00 0.00 H new ATOM 0 HB2 ARG B 98 4.292 -1.453 6.622 1.00 0.00 H new ATOM 0 HB3 ARG B 98 4.415 -2.875 5.605 1.00 0.00 H new ATOM 0 HG2 ARG B 98 5.555 -1.533 3.856 1.00 0.00 H new ATOM 0 HG3 ARG B 98 5.417 -0.101 4.857 1.00 0.00 H new ATOM 0 HD2 ARG B 98 6.962 -2.635 5.535 1.00 0.00 H new ATOM 0 HD3 ARG B 98 7.651 -1.087 5.089 1.00 0.00 H new ATOM 0 HE ARG B 98 6.011 -0.596 7.336 1.00 0.00 H new ATOM 0 HH11 ARG B 98 8.914 -2.428 6.498 1.00 0.00 H new ATOM 0 HH12 ARG B 98 9.564 -2.369 8.140 1.00 0.00 H new ATOM 0 HH21 ARG B 98 6.842 -0.546 9.446 1.00 0.00 H new ATOM 0 HH22 ARG B 98 8.396 -1.307 9.802 1.00 0.00 H new ATOM 1548 N PHE B 99 1.505 -3.321 5.285 1.00 0.00 N ATOM 1549 CA PHE B 99 0.466 -4.108 5.939 1.00 0.00 C ATOM 1550 C PHE B 99 0.778 -5.600 5.805 1.00 0.00 C ATOM 1551 O PHE B 99 1.762 -5.977 5.166 1.00 0.00 O ATOM 1552 CB PHE B 99 -0.914 -3.792 5.339 1.00 0.00 C ATOM 1553 CG PHE B 99 -1.050 -4.121 3.875 1.00 0.00 C ATOM 1554 CD1 PHE B 99 -0.696 -3.196 2.906 1.00 0.00 C ATOM 1555 CD2 PHE B 99 -1.545 -5.353 3.472 1.00 0.00 C ATOM 1556 CE1 PHE B 99 -0.830 -3.493 1.563 1.00 0.00 C ATOM 1557 CE2 PHE B 99 -1.678 -5.656 2.131 1.00 0.00 C ATOM 1558 CZ PHE B 99 -1.321 -4.726 1.176 1.00 0.00 C ATOM 0 H PHE B 99 1.954 -3.797 4.502 1.00 0.00 H new ATOM 0 HA PHE B 99 0.444 -3.845 6.997 1.00 0.00 H new ATOM 0 HB2 PHE B 99 -1.672 -4.344 5.894 1.00 0.00 H new ATOM 0 HB3 PHE B 99 -1.124 -2.732 5.481 1.00 0.00 H new ATOM 0 HD1 PHE B 99 -0.311 -2.232 3.204 1.00 0.00 H new ATOM 0 HD2 PHE B 99 -1.829 -6.083 4.215 1.00 0.00 H new ATOM 0 HE1 PHE B 99 -0.552 -2.763 0.817 1.00 0.00 H new ATOM 0 HE2 PHE B 99 -2.061 -6.620 1.830 1.00 0.00 H new ATOM 0 HZ PHE B 99 -1.425 -4.961 0.127 1.00 0.00 H new ATOM 1568 N ASP B 100 -0.051 -6.442 6.411 1.00 0.00 N ATOM 1569 CA ASP B 100 0.137 -7.890 6.340 1.00 0.00 C ATOM 1570 C ASP B 100 -1.214 -8.594 6.279 1.00 0.00 C ATOM 1571 O ASP B 100 -2.254 -7.964 6.478 1.00 0.00 O ATOM 1572 CB ASP B 100 0.936 -8.399 7.549 1.00 0.00 C ATOM 1573 CG ASP B 100 0.151 -8.361 8.851 1.00 0.00 C ATOM 1574 OD1 ASP B 100 -0.690 -9.252 9.071 1.00 0.00 O ATOM 1575 OD2 ASP B 100 0.393 -7.455 9.677 1.00 0.00 O ATOM 0 H ASP B 100 -0.861 -6.149 6.958 1.00 0.00 H new ATOM 0 HA ASP B 100 0.700 -8.115 5.434 1.00 0.00 H new ATOM 0 HB2 ASP B 100 1.258 -9.423 7.357 1.00 0.00 H new ATOM 0 HB3 ASP B 100 1.838 -7.796 7.659 1.00 0.00 H new ATOM 1580 N PHE B 101 -1.197 -9.895 6.005 1.00 0.00 N ATOM 1581 CA PHE B 101 -2.430 -10.674 5.955 1.00 0.00 C ATOM 1582 C PHE B 101 -2.295 -11.952 6.781 1.00 0.00 C ATOM 1583 O PHE B 101 -1.293 -12.665 6.677 1.00 0.00 O ATOM 1584 CB PHE B 101 -2.795 -10.999 4.498 1.00 0.00 C ATOM 1585 CG PHE B 101 -3.958 -11.943 4.342 1.00 0.00 C ATOM 1586 CD1 PHE B 101 -5.194 -11.641 4.888 1.00 0.00 C ATOM 1587 CD2 PHE B 101 -3.815 -13.127 3.637 1.00 0.00 C ATOM 1588 CE1 PHE B 101 -6.263 -12.504 4.739 1.00 0.00 C ATOM 1589 CE2 PHE B 101 -4.880 -13.995 3.484 1.00 0.00 C ATOM 1590 CZ PHE B 101 -6.105 -13.682 4.035 1.00 0.00 C ATOM 0 H PHE B 101 -0.349 -10.429 5.815 1.00 0.00 H new ATOM 0 HA PHE B 101 -3.235 -10.079 6.387 1.00 0.00 H new ATOM 0 HB2 PHE B 101 -3.026 -10.069 3.978 1.00 0.00 H new ATOM 0 HB3 PHE B 101 -1.924 -11.431 4.006 1.00 0.00 H new ATOM 0 HD1 PHE B 101 -5.324 -10.720 5.437 1.00 0.00 H new ATOM 0 HD2 PHE B 101 -2.859 -13.375 3.201 1.00 0.00 H new ATOM 0 HE1 PHE B 101 -7.221 -12.258 5.173 1.00 0.00 H new ATOM 0 HE2 PHE B 101 -4.753 -14.916 2.934 1.00 0.00 H new ATOM 0 HZ PHE B 101 -6.940 -14.357 3.916 1.00 0.00 H new ATOM 1600 N THR B 102 -3.329 -12.224 7.581 1.00 0.00 N ATOM 1601 CA THR B 102 -3.396 -13.383 8.476 1.00 0.00 C ATOM 1602 C THR B 102 -2.078 -13.683 9.196 1.00 0.00 C ATOM 1603 O THR B 102 -1.624 -14.827 9.244 1.00 0.00 O ATOM 1604 CB THR B 102 -3.912 -14.651 7.760 1.00 0.00 C ATOM 1605 OG1 THR B 102 -3.294 -14.813 6.476 1.00 0.00 O ATOM 1606 CG2 THR B 102 -5.423 -14.595 7.595 1.00 0.00 C ATOM 0 H THR B 102 -4.159 -11.634 7.626 1.00 0.00 H new ATOM 0 HA THR B 102 -4.120 -13.097 9.240 1.00 0.00 H new ATOM 0 HB THR B 102 -3.649 -15.507 8.381 1.00 0.00 H new ATOM 0 HG1 THR B 102 -3.691 -14.182 5.840 1.00 0.00 H new ATOM 0 HG21 THR B 102 -5.767 -15.497 7.089 1.00 0.00 H new ATOM 0 HG22 THR B 102 -5.894 -14.527 8.576 1.00 0.00 H new ATOM 0 HG23 THR B 102 -5.692 -13.721 7.002 1.00 0.00 H new ATOM 1614 N THR B 103 -1.474 -12.648 9.758 1.00 0.00 N ATOM 1615 CA THR B 103 -0.318 -12.821 10.619 1.00 0.00 C ATOM 1616 C THR B 103 -0.776 -12.837 12.074 1.00 0.00 C ATOM 1617 O THR B 103 -0.221 -13.549 12.915 1.00 0.00 O ATOM 1618 CB THR B 103 0.712 -11.691 10.423 1.00 0.00 C ATOM 1619 OG1 THR B 103 0.926 -11.458 9.025 1.00 0.00 O ATOM 1620 CG2 THR B 103 2.035 -12.039 11.090 1.00 0.00 C ATOM 0 H THR B 103 -1.766 -11.679 9.632 1.00 0.00 H new ATOM 0 HA THR B 103 0.162 -13.764 10.357 1.00 0.00 H new ATOM 0 HB THR B 103 0.316 -10.787 10.886 1.00 0.00 H new ATOM 0 HG1 THR B 103 1.745 -10.935 8.902 1.00 0.00 H new ATOM 0 HG21 THR B 103 2.745 -11.226 10.937 1.00 0.00 H new ATOM 0 HG22 THR B 103 1.876 -12.186 12.158 1.00 0.00 H new ATOM 0 HG23 THR B 103 2.433 -12.955 10.653 1.00 0.00 H new ATOM 1628 N THR B 104 -1.820 -12.065 12.349 1.00 0.00 N ATOM 1629 CA THR B 104 -2.368 -11.948 13.689 1.00 0.00 C ATOM 1630 C THR B 104 -3.305 -13.119 13.992 1.00 0.00 C ATOM 1631 O THR B 104 -4.513 -12.950 14.161 1.00 0.00 O ATOM 1632 CB THR B 104 -3.124 -10.613 13.851 1.00 0.00 C ATOM 1633 OG1 THR B 104 -2.323 -9.538 13.337 1.00 0.00 O ATOM 1634 CG2 THR B 104 -3.452 -10.337 15.309 1.00 0.00 C ATOM 0 H THR B 104 -2.308 -11.505 11.650 1.00 0.00 H new ATOM 0 HA THR B 104 -1.539 -11.970 14.397 1.00 0.00 H new ATOM 0 HB THR B 104 -4.058 -10.686 13.294 1.00 0.00 H new ATOM 0 HG1 THR B 104 -2.806 -8.692 13.440 1.00 0.00 H new ATOM 0 HG21 THR B 104 -3.984 -9.389 15.389 1.00 0.00 H new ATOM 0 HG22 THR B 104 -4.078 -11.139 15.699 1.00 0.00 H new ATOM 0 HG23 THR B 104 -2.529 -10.284 15.886 1.00 0.00 H new ATOM 1642 N SER B 105 -2.734 -14.310 14.064 1.00 0.00 N ATOM 1643 CA SER B 105 -3.508 -15.514 14.313 1.00 0.00 C ATOM 1644 C SER B 105 -3.589 -15.810 15.807 1.00 0.00 C ATOM 1645 O SER B 105 -3.685 -16.961 16.224 1.00 0.00 O ATOM 1646 CB SER B 105 -2.883 -16.690 13.564 1.00 0.00 C ATOM 1647 OG SER B 105 -2.740 -16.385 12.186 1.00 0.00 O ATOM 0 H SER B 105 -1.733 -14.469 13.953 1.00 0.00 H new ATOM 0 HA SER B 105 -4.524 -15.360 13.950 1.00 0.00 H new ATOM 0 HB2 SER B 105 -1.909 -16.925 13.993 1.00 0.00 H new ATOM 0 HB3 SER B 105 -3.506 -17.576 13.683 1.00 0.00 H new ATOM 0 HG SER B 105 -2.337 -17.148 11.722 1.00 0.00 H new ATOM 1653 N THR B 106 -3.559 -14.758 16.611 1.00 0.00 N ATOM 1654 CA THR B 106 -3.665 -14.888 18.052 1.00 0.00 C ATOM 1655 C THR B 106 -5.123 -15.003 18.490 1.00 0.00 C ATOM 1656 O THR B 106 -5.608 -14.210 19.298 1.00 0.00 O ATOM 1657 CB THR B 106 -3.001 -13.690 18.753 1.00 0.00 C ATOM 1658 OG1 THR B 106 -3.126 -12.520 17.932 1.00 0.00 O ATOM 1659 CG2 THR B 106 -1.532 -13.970 19.034 1.00 0.00 C ATOM 0 H THR B 106 -3.461 -13.797 16.283 1.00 0.00 H new ATOM 0 HA THR B 106 -3.146 -15.802 18.341 1.00 0.00 H new ATOM 0 HB THR B 106 -3.505 -13.524 19.705 1.00 0.00 H new ATOM 0 HG1 THR B 106 -2.704 -11.758 18.382 1.00 0.00 H new ATOM 0 HG21 THR B 106 -1.086 -13.108 19.530 1.00 0.00 H new ATOM 0 HG22 THR B 106 -1.445 -14.845 19.679 1.00 0.00 H new ATOM 0 HG23 THR B 106 -1.011 -14.158 18.095 1.00 0.00 H new ATOM 1667 N SER B 107 -5.818 -15.991 17.946 1.00 0.00 N ATOM 1668 CA SER B 107 -7.205 -16.233 18.301 1.00 0.00 C ATOM 1669 C SER B 107 -7.270 -16.925 19.659 1.00 0.00 C ATOM 1670 O SER B 107 -8.106 -16.600 20.500 1.00 0.00 O ATOM 1671 CB SER B 107 -7.873 -17.090 17.227 1.00 0.00 C ATOM 1672 OG SER B 107 -7.551 -16.612 15.930 1.00 0.00 O ATOM 0 H SER B 107 -5.441 -16.639 17.255 1.00 0.00 H new ATOM 0 HA SER B 107 -7.737 -15.284 18.365 1.00 0.00 H new ATOM 0 HB2 SER B 107 -7.550 -18.126 17.329 1.00 0.00 H new ATOM 0 HB3 SER B 107 -8.954 -17.078 17.366 1.00 0.00 H new ATOM 0 HG SER B 107 -7.987 -17.175 15.256 1.00 0.00 H new ATOM 1678 N THR B 108 -6.367 -17.876 19.855 1.00 0.00 N ATOM 1679 CA THR B 108 -6.203 -18.539 21.136 1.00 0.00 C ATOM 1680 C THR B 108 -4.711 -18.695 21.444 1.00 0.00 C ATOM 1681 O THR B 108 -4.117 -19.745 21.188 1.00 0.00 O ATOM 1682 CB THR B 108 -6.890 -19.924 21.149 1.00 0.00 C ATOM 1683 OG1 THR B 108 -8.258 -19.800 20.729 1.00 0.00 O ATOM 1684 CG2 THR B 108 -6.846 -20.541 22.540 1.00 0.00 C ATOM 0 H THR B 108 -5.730 -18.207 19.130 1.00 0.00 H new ATOM 0 HA THR B 108 -6.677 -17.924 21.901 1.00 0.00 H new ATOM 0 HB THR B 108 -6.351 -20.573 20.459 1.00 0.00 H new ATOM 0 HG1 THR B 108 -8.684 -20.682 20.739 1.00 0.00 H new ATOM 0 HG21 THR B 108 -7.336 -21.515 22.522 1.00 0.00 H new ATOM 0 HG22 THR B 108 -5.809 -20.663 22.851 1.00 0.00 H new ATOM 0 HG23 THR B 108 -7.362 -19.888 23.244 1.00 0.00 H new ATOM 1692 N PRO B 109 -4.075 -17.632 21.965 1.00 0.00 N ATOM 1693 CA PRO B 109 -2.647 -17.632 22.277 1.00 0.00 C ATOM 1694 C PRO B 109 -2.343 -18.344 23.592 1.00 0.00 C ATOM 1695 O PRO B 109 -3.122 -18.268 24.548 1.00 0.00 O ATOM 1696 CB PRO B 109 -2.292 -16.139 22.385 1.00 0.00 C ATOM 1697 CG PRO B 109 -3.548 -15.387 22.070 1.00 0.00 C ATOM 1698 CD PRO B 109 -4.685 -16.341 22.288 1.00 0.00 C ATOM 0 HA PRO B 109 -2.070 -18.163 21.520 1.00 0.00 H new ATOM 0 HB2 PRO B 109 -1.933 -15.896 23.385 1.00 0.00 H new ATOM 0 HB3 PRO B 109 -1.496 -15.877 21.688 1.00 0.00 H new ATOM 0 HG2 PRO B 109 -3.647 -14.512 22.713 1.00 0.00 H new ATOM 0 HG3 PRO B 109 -3.536 -15.027 21.041 1.00 0.00 H new ATOM 0 HD2 PRO B 109 -5.051 -16.310 23.314 1.00 0.00 H new ATOM 0 HD3 PRO B 109 -5.533 -16.118 21.640 1.00 0.00 H new ATOM 1706 N GLY B 110 -1.214 -19.033 23.633 1.00 0.00 N ATOM 1707 CA GLY B 110 -0.812 -19.735 24.832 1.00 0.00 C ATOM 1708 C GLY B 110 -0.171 -18.804 25.838 1.00 0.00 C ATOM 1709 O GLY B 110 0.878 -18.216 25.567 1.00 0.00 O ATOM 0 H GLY B 110 -0.565 -19.119 22.851 1.00 0.00 H new ATOM 0 HA2 GLY B 110 -1.682 -20.214 25.282 1.00 0.00 H new ATOM 0 HA3 GLY B 110 -0.111 -20.528 24.572 1.00 0.00 H new ATOM 1713 N SER B 111 -0.805 -18.666 26.991 1.00 0.00 N ATOM 1714 CA SER B 111 -0.339 -17.754 28.018 1.00 0.00 C ATOM 1715 C SER B 111 0.589 -18.457 29.005 1.00 0.00 C ATOM 1716 O SER B 111 1.721 -18.015 29.215 1.00 0.00 O ATOM 1717 CB SER B 111 -1.544 -17.154 28.742 1.00 0.00 C ATOM 1718 OG SER B 111 -2.519 -18.150 29.005 1.00 0.00 O ATOM 0 H SER B 111 -1.651 -19.180 27.239 1.00 0.00 H new ATOM 0 HA SER B 111 0.235 -16.957 27.546 1.00 0.00 H new ATOM 0 HB2 SER B 111 -1.222 -16.698 29.678 1.00 0.00 H new ATOM 0 HB3 SER B 111 -1.981 -16.361 28.135 1.00 0.00 H new ATOM 0 HG SER B 111 -3.281 -17.747 29.470 1.00 0.00 H new ATOM 1724 N ARG B 112 0.108 -19.557 29.590 1.00 0.00 N ATOM 1725 CA ARG B 112 0.875 -20.315 30.580 1.00 0.00 C ATOM 1726 C ARG B 112 1.291 -19.412 31.740 1.00 0.00 C ATOM 1727 O ARG B 112 2.459 -19.036 31.866 1.00 0.00 O ATOM 1728 CB ARG B 112 2.111 -20.955 29.935 1.00 0.00 C ATOM 1729 CG ARG B 112 1.786 -21.956 28.837 1.00 0.00 C ATOM 1730 CD ARG B 112 0.992 -23.139 29.370 1.00 0.00 C ATOM 1731 NE ARG B 112 0.736 -24.139 28.334 1.00 0.00 N ATOM 1732 CZ ARG B 112 0.159 -25.316 28.563 1.00 0.00 C ATOM 1733 NH1 ARG B 112 -0.248 -25.635 29.785 1.00 0.00 N ATOM 1734 NH2 ARG B 112 -0.017 -26.173 27.566 1.00 0.00 N ATOM 0 H ARG B 112 -0.815 -19.944 29.393 1.00 0.00 H new ATOM 0 HA ARG B 112 0.238 -21.110 30.968 1.00 0.00 H new ATOM 0 HB2 ARG B 112 2.741 -20.168 29.520 1.00 0.00 H new ATOM 0 HB3 ARG B 112 2.694 -21.455 30.708 1.00 0.00 H new ATOM 0 HG2 ARG B 112 1.217 -21.461 28.050 1.00 0.00 H new ATOM 0 HG3 ARG B 112 2.711 -22.313 28.385 1.00 0.00 H new ATOM 0 HD2 ARG B 112 1.538 -23.601 30.193 1.00 0.00 H new ATOM 0 HD3 ARG B 112 0.044 -22.786 29.775 1.00 0.00 H new ATOM 0 HE ARG B 112 1.017 -23.921 27.378 1.00 0.00 H new ATOM 0 HH11 ARG B 112 -0.119 -24.977 30.554 1.00 0.00 H new ATOM 0 HH12 ARG B 112 -0.690 -26.538 29.956 1.00 0.00 H new ATOM 0 HH21 ARG B 112 0.290 -25.930 26.624 1.00 0.00 H new ATOM 0 HH22 ARG B 112 -0.459 -27.075 27.741 1.00 0.00 H new ATOM 1748 N SER B 113 0.327 -19.085 32.592 1.00 0.00 N ATOM 1749 CA SER B 113 0.525 -18.112 33.661 1.00 0.00 C ATOM 1750 C SER B 113 1.577 -18.567 34.674 1.00 0.00 C ATOM 1751 O SER B 113 2.262 -17.743 35.280 1.00 0.00 O ATOM 1752 CB SER B 113 -0.809 -17.849 34.358 1.00 0.00 C ATOM 1753 OG SER B 113 -1.478 -19.065 34.648 1.00 0.00 O ATOM 0 H SER B 113 -0.611 -19.485 32.562 1.00 0.00 H new ATOM 0 HA SER B 113 0.898 -17.191 33.213 1.00 0.00 H new ATOM 0 HB2 SER B 113 -0.638 -17.294 35.281 1.00 0.00 H new ATOM 0 HB3 SER B 113 -1.439 -17.226 33.723 1.00 0.00 H new ATOM 0 HG SER B 113 -2.328 -18.872 35.095 1.00 0.00 H new ATOM 1759 N HIS B 114 1.719 -19.877 34.835 1.00 0.00 N ATOM 1760 CA HIS B 114 2.683 -20.438 35.780 1.00 0.00 C ATOM 1761 C HIS B 114 4.111 -20.259 35.256 1.00 0.00 C ATOM 1762 O HIS B 114 5.082 -20.488 35.973 1.00 0.00 O ATOM 1763 CB HIS B 114 2.373 -21.922 36.025 1.00 0.00 C ATOM 1764 CG HIS B 114 3.168 -22.559 37.127 1.00 0.00 C ATOM 1765 ND1 HIS B 114 2.726 -22.632 38.429 1.00 0.00 N ATOM 1766 CD2 HIS B 114 4.371 -23.180 37.109 1.00 0.00 C ATOM 1767 CE1 HIS B 114 3.620 -23.267 39.161 1.00 0.00 C ATOM 1768 NE2 HIS B 114 4.627 -23.611 38.385 1.00 0.00 N ATOM 0 H HIS B 114 1.178 -20.574 34.323 1.00 0.00 H new ATOM 0 HA HIS B 114 2.602 -19.906 36.728 1.00 0.00 H new ATOM 0 HB2 HIS B 114 1.313 -22.024 36.256 1.00 0.00 H new ATOM 0 HB3 HIS B 114 2.552 -22.473 35.102 1.00 0.00 H new ATOM 0 HD2 HIS B 114 5.011 -23.311 36.249 1.00 0.00 H new ATOM 0 HE1 HIS B 114 3.540 -23.471 40.219 1.00 0.00 H new ATOM 0 HE2 HIS B 114 5.461 -24.116 38.685 1.00 0.00 H new ATOM 1777 N HIS B 115 4.233 -19.840 34.002 1.00 0.00 N ATOM 1778 CA HIS B 115 5.541 -19.596 33.406 1.00 0.00 C ATOM 1779 C HIS B 115 5.893 -18.114 33.466 1.00 0.00 C ATOM 1780 O HIS B 115 6.793 -17.650 32.766 1.00 0.00 O ATOM 1781 CB HIS B 115 5.583 -20.078 31.952 1.00 0.00 C ATOM 1782 CG HIS B 115 5.567 -21.567 31.798 1.00 0.00 C ATOM 1783 ND1 HIS B 115 5.349 -22.195 30.591 1.00 0.00 N ATOM 1784 CD2 HIS B 115 5.759 -22.557 32.701 1.00 0.00 C ATOM 1785 CE1 HIS B 115 5.406 -23.501 30.760 1.00 0.00 C ATOM 1786 NE2 HIS B 115 5.655 -23.749 32.031 1.00 0.00 N ATOM 0 H HIS B 115 3.445 -19.663 33.380 1.00 0.00 H new ATOM 0 HA HIS B 115 6.275 -20.160 33.982 1.00 0.00 H new ATOM 0 HB2 HIS B 115 4.730 -19.660 31.418 1.00 0.00 H new ATOM 0 HB3 HIS B 115 6.481 -19.684 31.476 1.00 0.00 H new ATOM 0 HD2 HIS B 115 5.958 -22.431 33.755 1.00 0.00 H new ATOM 0 HE1 HIS B 115 5.271 -24.243 29.987 1.00 0.00 H new ATOM 0 HE2 HIS B 115 5.754 -24.675 32.447 1.00 0.00 H new ATOM 1795 N HIS B 116 5.173 -17.372 34.296 1.00 0.00 N ATOM 1796 CA HIS B 116 5.423 -15.946 34.463 1.00 0.00 C ATOM 1797 C HIS B 116 5.767 -15.635 35.911 1.00 0.00 C ATOM 1798 O HIS B 116 4.891 -15.641 36.775 1.00 0.00 O ATOM 1799 CB HIS B 116 4.199 -15.122 34.046 1.00 0.00 C ATOM 1800 CG HIS B 116 3.889 -15.171 32.582 1.00 0.00 C ATOM 1801 ND1 HIS B 116 4.020 -14.083 31.748 1.00 0.00 N ATOM 1802 CD2 HIS B 116 3.427 -16.179 31.808 1.00 0.00 C ATOM 1803 CE1 HIS B 116 3.655 -14.419 30.527 1.00 0.00 C ATOM 1804 NE2 HIS B 116 3.290 -15.688 30.536 1.00 0.00 N ATOM 0 H HIS B 116 4.409 -17.735 34.866 1.00 0.00 H new ATOM 0 HA HIS B 116 6.264 -15.678 33.823 1.00 0.00 H new ATOM 0 HB2 HIS B 116 3.331 -15.478 34.601 1.00 0.00 H new ATOM 0 HB3 HIS B 116 4.359 -14.084 34.336 1.00 0.00 H new ATOM 0 HD2 HIS B 116 3.207 -17.185 32.132 1.00 0.00 H new ATOM 0 HE1 HIS B 116 3.655 -13.767 29.666 1.00 0.00 H new ATOM 0 HE2 HIS B 116 2.960 -16.216 29.728 1.00 0.00 H new ATOM 1813 N HIS B 117 7.041 -15.371 36.178 1.00 0.00 N ATOM 1814 CA HIS B 117 7.470 -15.000 37.521 1.00 0.00 C ATOM 1815 C HIS B 117 6.965 -13.608 37.874 1.00 0.00 C ATOM 1816 O HIS B 117 6.736 -13.295 39.043 1.00 0.00 O ATOM 1817 CB HIS B 117 8.993 -15.047 37.650 1.00 0.00 C ATOM 1818 CG HIS B 117 9.554 -16.432 37.725 1.00 0.00 C ATOM 1819 ND1 HIS B 117 10.499 -16.913 36.845 1.00 0.00 N ATOM 1820 CD2 HIS B 117 9.321 -17.434 38.606 1.00 0.00 C ATOM 1821 CE1 HIS B 117 10.822 -18.148 37.181 1.00 0.00 C ATOM 1822 NE2 HIS B 117 10.123 -18.487 38.246 1.00 0.00 N ATOM 0 H HIS B 117 7.791 -15.407 35.487 1.00 0.00 H new ATOM 0 HA HIS B 117 7.045 -15.723 38.217 1.00 0.00 H new ATOM 0 HB2 HIS B 117 9.436 -14.532 36.797 1.00 0.00 H new ATOM 0 HB3 HIS B 117 9.289 -14.497 38.543 1.00 0.00 H new ATOM 0 HD2 HIS B 117 8.632 -17.409 39.437 1.00 0.00 H new ATOM 0 HE1 HIS B 117 11.538 -18.775 36.670 1.00 0.00 H new ATOM 0 HE2 HIS B 117 10.171 -19.386 38.725 1.00 0.00 H new ATOM 1831 N HIS B 118 6.791 -12.776 36.853 1.00 0.00 N ATOM 1832 CA HIS B 118 6.265 -11.432 37.039 1.00 0.00 C ATOM 1833 C HIS B 118 4.750 -11.475 37.166 1.00 0.00 C ATOM 1834 O HIS B 118 4.022 -11.150 36.227 1.00 0.00 O ATOM 1835 CB HIS B 118 6.673 -10.513 35.882 1.00 0.00 C ATOM 1836 CG HIS B 118 8.131 -10.176 35.865 1.00 0.00 C ATOM 1837 ND1 HIS B 118 9.067 -10.905 35.167 1.00 0.00 N ATOM 1838 CD2 HIS B 118 8.811 -9.176 36.469 1.00 0.00 C ATOM 1839 CE1 HIS B 118 10.260 -10.370 35.345 1.00 0.00 C ATOM 1840 NE2 HIS B 118 10.133 -9.317 36.131 1.00 0.00 N ATOM 0 H HIS B 118 7.008 -13.012 35.885 1.00 0.00 H new ATOM 0 HA HIS B 118 6.689 -11.027 37.958 1.00 0.00 H new ATOM 0 HB2 HIS B 118 6.409 -10.992 34.939 1.00 0.00 H new ATOM 0 HB3 HIS B 118 6.097 -9.590 35.943 1.00 0.00 H new ATOM 0 HD2 HIS B 118 8.391 -8.408 37.101 1.00 0.00 H new ATOM 0 HE1 HIS B 118 11.184 -10.732 34.920 1.00 0.00 H new ATOM 0 HE2 HIS B 118 10.893 -8.709 36.437 1.00 0.00 H new ATOM 1849 N HIS B 119 4.288 -11.901 38.325 1.00 0.00 N ATOM 1850 CA HIS B 119 2.869 -11.966 38.615 1.00 0.00 C ATOM 1851 C HIS B 119 2.577 -11.166 39.874 1.00 0.00 C ATOM 1852 O HIS B 119 2.919 -11.648 40.972 1.00 0.00 O ATOM 1853 CB HIS B 119 2.426 -13.425 38.781 1.00 0.00 C ATOM 1854 CG HIS B 119 0.980 -13.587 39.142 1.00 0.00 C ATOM 1855 ND1 HIS B 119 -0.040 -13.527 38.218 1.00 0.00 N ATOM 1856 CD2 HIS B 119 0.384 -13.813 40.339 1.00 0.00 C ATOM 1857 CE1 HIS B 119 -1.196 -13.706 38.827 1.00 0.00 C ATOM 1858 NE2 HIS B 119 -0.966 -13.883 40.112 1.00 0.00 N ATOM 1859 OXT HIS B 119 2.024 -10.054 39.760 1.00 0.00 O ATOM 0 H HIS B 119 4.885 -12.212 39.092 1.00 0.00 H new ATOM 0 HA HIS B 119 2.308 -11.537 37.785 1.00 0.00 H new ATOM 0 HB2 HIS B 119 2.620 -13.961 37.852 1.00 0.00 H new ATOM 0 HB3 HIS B 119 3.037 -13.894 39.552 1.00 0.00 H new ATOM 0 HD2 HIS B 119 0.880 -13.918 41.293 1.00 0.00 H new ATOM 0 HE1 HIS B 119 -2.166 -13.707 38.353 1.00 0.00 H new ATOM 0 HE2 HIS B 119 -1.678 -14.046 40.824 1.00 0.00 H new TER 1868 HIS B 119