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: B 89 GLN : amide:sc= 1.25 K(o=1.5,f=-4.3) USER MOD Set 1.2: B 93 HIS : no HE2:sc= 0.263 K(o=1.5,f=-6.9!) USER MOD Set 2.1: B 53 ASN : amide:sc= -0.72 K(o=-0.72,f=-6.4!) USER MOD Set 2.2: B 54 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 135:sc= 0.00377 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.68) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -38:sc= 1.14 USER MOD Single : A 17 GLN : amide:sc= 0.59 K(o=0.59,f=-0.29) USER MOD Single : A 21 THR OG1 : rot -86:sc= 0.753 USER MOD Single : A 22 SER OG : rot 37:sc= 0.0869 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : B 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 34 SER OG : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= -0.0761 X(o=-0.076,f=-0.19) USER MOD Single : B 38 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 41 HIS : no HE2:sc= 1.04 K(o=1,f=-3.5!) USER MOD Single : B 43 SER OG : rot 180:sc= 0 USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 45 TYR OH : rot 180:sc= -0.743 USER MOD Single : B 52 LYS NZ :NH3+ -174:sc= 1.27 (180deg=1.11) 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 X(o=0,f=-0.0094) USER MOD Single : B 68 ASN : amide:sc= -0.189 K(o=-0.19,f=-2.7!) USER MOD Single : B 69 SER OG : rot -66:sc= 0.826 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 81 TYR OH : rot 110:sc= 0.88 USER MOD Single : B 84 GLN : amide:sc= -0.641 K(o=-0.64,f=-0.091) USER MOD Single : B 87 SER OG : rot 120:sc= -0.427 USER MOD Single : B 90 GLN : amide:sc= -1.31 K(o=-1.3,f=-3.1!) USER MOD Single : B 91 TYR OH : rot 180:sc= 0 USER MOD Single : B 94 GLN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : B 97 THR OG1 : rot -168:sc= 1.22 USER MOD Single : B 102 THR OG1 : rot 140:sc= -1.01 USER MOD Single : B 103 THR OG1 : rot 180:sc= 0 USER MOD Single : B 104 THR OG1 : rot 116:sc= 1.19 USER MOD Single : B 105 SER OG : rot 180:sc= 0 USER MOD Single : B 106 THR OG1 : rot -42:sc= 1.02 USER MOD Single : B 107 SER OG : rot 180:sc= 0 USER MOD Single : B 108 THR OG1 : rot 50:sc= 0.267 USER MOD Single : B 111 SER OG : rot 180:sc= 0 USER MOD Single : B 113 SER OG : rot 180:sc= 0 USER MOD Single : B 114 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.8!) USER MOD Single : B 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 117 HIS : no HD1:sc= -0.0808 X(o=-0.081,f=-0.13) USER MOD Single : B 118 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : B 119 HIS : no HE2:sc= -0.29 X(o=-0.29,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.309 22.188 6.108 1.00 0.00 N ATOM 2 CA GLY A 1 4.267 22.479 5.096 1.00 0.00 C ATOM 3 C GLY A 1 4.169 21.380 4.063 1.00 0.00 C ATOM 4 O GLY A 1 5.188 20.865 3.598 1.00 0.00 O ATOM 0 H1 GLY A 1 5.878 23.042 6.276 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.857 21.893 6.997 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.924 21.424 5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.303 22.601 5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.493 23.424 4.602 1.00 0.00 H new ATOM 10 N SER A 2 2.947 21.024 3.691 1.00 0.00 N ATOM 11 CA SER A 2 2.720 19.942 2.746 1.00 0.00 C ATOM 12 C SER A 2 2.772 20.446 1.306 1.00 0.00 C ATOM 13 O SER A 2 2.313 19.775 0.379 1.00 0.00 O ATOM 14 CB SER A 2 1.375 19.274 3.031 1.00 0.00 C ATOM 15 OG SER A 2 1.299 18.853 4.386 1.00 0.00 O ATOM 0 H SER A 2 2.096 21.471 4.031 1.00 0.00 H new ATOM 0 HA SER A 2 3.516 19.207 2.870 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.565 19.971 2.816 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.242 18.417 2.371 1.00 0.00 H new ATOM 0 HG SER A 2 0.430 18.430 4.549 1.00 0.00 H new ATOM 21 N GLN A 3 3.322 21.639 1.121 1.00 0.00 N ATOM 22 CA GLN A 3 3.530 22.168 -0.212 1.00 0.00 C ATOM 23 C GLN A 3 4.769 21.517 -0.814 1.00 0.00 C ATOM 24 O GLN A 3 4.788 21.148 -1.985 1.00 0.00 O ATOM 25 CB GLN A 3 3.681 23.691 -0.176 1.00 0.00 C ATOM 26 CG GLN A 3 3.489 24.351 -1.531 1.00 0.00 C ATOM 27 CD GLN A 3 2.096 24.125 -2.090 1.00 0.00 C ATOM 28 OE1 GLN A 3 1.845 23.140 -2.786 1.00 0.00 O ATOM 29 NE2 GLN A 3 1.180 25.033 -1.791 1.00 0.00 N ATOM 0 H GLN A 3 3.629 22.253 1.876 1.00 0.00 H new ATOM 0 HA GLN A 3 2.662 21.939 -0.831 1.00 0.00 H new ATOM 0 HB2 GLN A 3 2.957 24.104 0.526 1.00 0.00 H new ATOM 0 HB3 GLN A 3 4.671 23.941 0.204 1.00 0.00 H new ATOM 0 HG2 GLN A 3 3.672 25.422 -1.440 1.00 0.00 H new ATOM 0 HG3 GLN A 3 4.227 23.959 -2.231 1.00 0.00 H new ATOM 0 HE21 GLN A 3 1.427 25.835 -1.211 1.00 0.00 H new ATOM 0 HE22 GLN A 3 0.227 24.930 -2.140 1.00 0.00 H new ATOM 38 N THR A 4 5.798 21.369 0.012 1.00 0.00 N ATOM 39 CA THR A 4 7.010 20.673 -0.388 1.00 0.00 C ATOM 40 C THR A 4 7.070 19.292 0.263 1.00 0.00 C ATOM 41 O THR A 4 7.213 18.279 -0.422 1.00 0.00 O ATOM 42 CB THR A 4 8.269 21.485 -0.018 1.00 0.00 C ATOM 43 OG1 THR A 4 8.193 22.788 -0.614 1.00 0.00 O ATOM 44 CG2 THR A 4 9.533 20.783 -0.494 1.00 0.00 C ATOM 0 H THR A 4 5.814 21.725 0.968 1.00 0.00 H new ATOM 0 HA THR A 4 6.985 20.557 -1.471 1.00 0.00 H new ATOM 0 HB THR A 4 8.312 21.574 1.068 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.992 23.303 -0.377 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.405 21.377 -0.220 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.602 19.801 -0.026 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.499 20.667 -1.577 1.00 0.00 H new ATOM 52 N THR A 5 6.942 19.254 1.586 1.00 0.00 N ATOM 53 CA THR A 5 6.946 17.997 2.318 1.00 0.00 C ATOM 54 C THR A 5 5.530 17.444 2.413 1.00 0.00 C ATOM 55 O THR A 5 4.777 17.789 3.324 1.00 0.00 O ATOM 56 CB THR A 5 7.519 18.180 3.739 1.00 0.00 C ATOM 57 OG1 THR A 5 8.788 18.848 3.675 1.00 0.00 O ATOM 58 CG2 THR A 5 7.691 16.835 4.434 1.00 0.00 C ATOM 0 H THR A 5 6.834 20.082 2.172 1.00 0.00 H new ATOM 0 HA THR A 5 7.580 17.296 1.775 1.00 0.00 H new ATOM 0 HB THR A 5 6.815 18.783 4.312 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.144 18.962 4.581 1.00 0.00 H new ATOM 0 HG21 THR A 5 8.096 16.991 5.434 1.00 0.00 H new ATOM 0 HG22 THR A 5 6.724 16.337 4.508 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.376 16.213 3.858 1.00 0.00 H new ATOM 66 N ALA A 6 5.165 16.595 1.466 1.00 0.00 N ATOM 67 CA ALA A 6 3.820 16.047 1.422 1.00 0.00 C ATOM 68 C ALA A 6 3.836 14.525 1.504 1.00 0.00 C ATOM 69 O ALA A 6 3.848 13.842 0.482 1.00 0.00 O ATOM 70 CB ALA A 6 3.109 16.503 0.156 1.00 0.00 C ATOM 0 H ALA A 6 5.780 16.271 0.719 1.00 0.00 H new ATOM 0 HA ALA A 6 3.276 16.420 2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.102 16.086 0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.052 17.591 0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.663 16.158 -0.717 1.00 0.00 H new ATOM 76 N PRO A 7 3.851 13.970 2.725 1.00 0.00 N ATOM 77 CA PRO A 7 3.728 12.534 2.938 1.00 0.00 C ATOM 78 C PRO A 7 2.261 12.115 2.927 1.00 0.00 C ATOM 79 O PRO A 7 1.703 11.693 3.944 1.00 0.00 O ATOM 80 CB PRO A 7 4.351 12.340 4.317 1.00 0.00 C ATOM 81 CG PRO A 7 4.087 13.617 5.042 1.00 0.00 C ATOM 82 CD PRO A 7 3.994 14.703 3.998 1.00 0.00 C ATOM 0 HA PRO A 7 4.210 11.934 2.166 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.905 11.492 4.836 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.420 12.142 4.243 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.162 13.552 5.615 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.887 13.831 5.751 1.00 0.00 H new ATOM 0 HD2 PRO A 7 3.141 15.357 4.179 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.884 15.332 3.997 1.00 0.00 H new ATOM 90 N ASP A 8 1.648 12.233 1.764 1.00 0.00 N ATOM 91 CA ASP A 8 0.203 12.114 1.630 1.00 0.00 C ATOM 92 C ASP A 8 -0.224 10.659 1.415 1.00 0.00 C ATOM 93 O ASP A 8 -0.936 10.332 0.463 1.00 0.00 O ATOM 94 CB ASP A 8 -0.262 13.002 0.474 1.00 0.00 C ATOM 95 CG ASP A 8 -1.760 13.194 0.443 1.00 0.00 C ATOM 96 OD1 ASP A 8 -2.360 13.396 1.518 1.00 0.00 O ATOM 97 OD2 ASP A 8 -2.340 13.170 -0.660 1.00 0.00 O ATOM 0 H ASP A 8 2.134 12.414 0.886 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.269 12.445 2.555 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.222 13.975 0.553 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.062 12.561 -0.469 1.00 0.00 H new ATOM 102 N ALA A 9 0.213 9.794 2.319 1.00 0.00 N ATOM 103 CA ALA A 9 -0.103 8.374 2.246 1.00 0.00 C ATOM 104 C ALA A 9 -1.355 8.043 3.044 1.00 0.00 C ATOM 105 O ALA A 9 -1.641 8.684 4.059 1.00 0.00 O ATOM 106 CB ALA A 9 1.050 7.553 2.785 1.00 0.00 C ATOM 0 H ALA A 9 0.792 10.053 3.118 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.278 8.132 1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.801 6.493 2.725 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.944 7.750 2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.235 7.824 3.824 1.00 0.00 H new ATOM 112 N PRO A 10 -2.129 7.048 2.586 1.00 0.00 N ATOM 113 CA PRO A 10 -3.227 6.476 3.367 1.00 0.00 C ATOM 114 C PRO A 10 -2.701 5.832 4.649 1.00 0.00 C ATOM 115 O PRO A 10 -1.868 4.926 4.598 1.00 0.00 O ATOM 116 CB PRO A 10 -3.814 5.406 2.435 1.00 0.00 C ATOM 117 CG PRO A 10 -3.351 5.783 1.072 1.00 0.00 C ATOM 118 CD PRO A 10 -2.006 6.416 1.265 1.00 0.00 C ATOM 0 HA PRO A 10 -3.958 7.223 3.677 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.465 4.410 2.709 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.902 5.389 2.491 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -3.284 4.908 0.425 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -4.047 6.476 0.599 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -1.205 5.677 1.243 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.787 7.146 0.486 1.00 0.00 H new ATOM 126 N PRO A 11 -3.177 6.315 5.813 1.00 0.00 N ATOM 127 CA PRO A 11 -2.693 5.881 7.134 1.00 0.00 C ATOM 128 C PRO A 11 -2.755 4.372 7.362 1.00 0.00 C ATOM 129 O PRO A 11 -1.842 3.801 7.959 1.00 0.00 O ATOM 130 CB PRO A 11 -3.630 6.593 8.111 1.00 0.00 C ATOM 131 CG PRO A 11 -4.109 7.786 7.368 1.00 0.00 C ATOM 132 CD PRO A 11 -4.213 7.358 5.935 1.00 0.00 C ATOM 0 HA PRO A 11 -1.637 6.126 7.251 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.459 5.950 8.405 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.108 6.878 9.025 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.074 8.122 7.747 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.416 8.620 7.478 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.204 6.969 5.703 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.029 8.188 5.253 1.00 0.00 H new ATOM 140 N ASP A 12 -3.822 3.728 6.906 1.00 0.00 N ATOM 141 CA ASP A 12 -3.986 2.295 7.138 1.00 0.00 C ATOM 142 C ASP A 12 -4.821 1.638 6.046 1.00 0.00 C ATOM 143 O ASP A 12 -5.983 1.995 5.842 1.00 0.00 O ATOM 144 CB ASP A 12 -4.644 2.042 8.499 1.00 0.00 C ATOM 145 CG ASP A 12 -4.864 0.564 8.780 1.00 0.00 C ATOM 146 OD1 ASP A 12 -3.920 -0.098 9.263 1.00 0.00 O ATOM 147 OD2 ASP A 12 -5.988 0.064 8.540 1.00 0.00 O ATOM 0 H ASP A 12 -4.578 4.166 6.380 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.990 1.852 7.124 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.019 2.468 9.284 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.602 2.561 8.537 1.00 0.00 H new ATOM 152 N PRO A 13 -4.225 0.705 5.295 1.00 0.00 N ATOM 153 CA PRO A 13 -4.959 -0.181 4.405 1.00 0.00 C ATOM 154 C PRO A 13 -5.502 -1.381 5.173 1.00 0.00 C ATOM 155 O PRO A 13 -4.740 -2.205 5.675 1.00 0.00 O ATOM 156 CB PRO A 13 -3.902 -0.627 3.379 1.00 0.00 C ATOM 157 CG PRO A 13 -2.628 0.059 3.773 1.00 0.00 C ATOM 158 CD PRO A 13 -2.789 0.453 5.213 1.00 0.00 C ATOM 0 HA PRO A 13 -5.820 0.301 3.942 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.781 -1.710 3.389 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.198 -0.349 2.368 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.773 -0.605 3.645 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.448 0.934 3.148 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.474 -0.340 5.891 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.204 1.338 5.463 1.00 0.00 H new ATOM 166 N THR A 14 -6.815 -1.477 5.260 1.00 0.00 N ATOM 167 CA THR A 14 -7.452 -2.528 6.029 1.00 0.00 C ATOM 168 C THR A 14 -7.924 -3.650 5.112 1.00 0.00 C ATOM 169 O THR A 14 -8.409 -3.400 4.006 1.00 0.00 O ATOM 170 CB THR A 14 -8.656 -1.977 6.809 1.00 0.00 C ATOM 171 OG1 THR A 14 -8.312 -0.722 7.418 1.00 0.00 O ATOM 172 CG2 THR A 14 -9.101 -2.954 7.888 1.00 0.00 C ATOM 0 H THR A 14 -7.464 -0.836 4.805 1.00 0.00 H new ATOM 0 HA THR A 14 -6.716 -2.919 6.732 1.00 0.00 H new ATOM 0 HB THR A 14 -9.477 -1.834 6.106 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.390 -0.760 7.747 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.954 -2.539 8.425 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.387 -3.900 7.427 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.281 -3.124 8.586 1.00 0.00 H new ATOM 180 N VAL A 15 -7.775 -4.881 5.571 1.00 0.00 N ATOM 181 CA VAL A 15 -8.193 -6.034 4.799 1.00 0.00 C ATOM 182 C VAL A 15 -9.568 -6.518 5.252 1.00 0.00 C ATOM 183 O VAL A 15 -9.793 -6.768 6.439 1.00 0.00 O ATOM 184 CB VAL A 15 -7.167 -7.180 4.919 1.00 0.00 C ATOM 185 CG1 VAL A 15 -7.652 -8.426 4.195 1.00 0.00 C ATOM 186 CG2 VAL A 15 -5.812 -6.734 4.382 1.00 0.00 C ATOM 0 H VAL A 15 -7.366 -5.106 6.478 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.254 -5.730 3.754 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.056 -7.431 5.974 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.910 -9.218 4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.595 -8.756 4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.799 -8.199 3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.097 -7.552 4.473 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.911 -6.453 3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.457 -5.877 4.955 1.00 0.00 H new ATOM 196 N ASP A 16 -10.484 -6.631 4.301 1.00 0.00 N ATOM 197 CA ASP A 16 -11.838 -7.085 4.580 1.00 0.00 C ATOM 198 C ASP A 16 -12.162 -8.291 3.699 1.00 0.00 C ATOM 199 O ASP A 16 -11.988 -8.231 2.483 1.00 0.00 O ATOM 200 CB ASP A 16 -12.828 -5.938 4.325 1.00 0.00 C ATOM 201 CG ASP A 16 -14.156 -6.127 5.033 1.00 0.00 C ATOM 202 OD1 ASP A 16 -15.213 -5.940 4.393 1.00 0.00 O ATOM 203 OD2 ASP A 16 -14.147 -6.447 6.243 1.00 0.00 O ATOM 0 H ASP A 16 -10.311 -6.412 3.320 1.00 0.00 H new ATOM 0 HA ASP A 16 -11.921 -7.386 5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -12.379 -5.000 4.652 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -13.004 -5.850 3.253 1.00 0.00 H new ATOM 208 N GLN A 17 -12.607 -9.384 4.331 1.00 0.00 N ATOM 209 CA GLN A 17 -12.872 -10.663 3.646 1.00 0.00 C ATOM 210 C GLN A 17 -11.582 -11.342 3.197 1.00 0.00 C ATOM 211 O GLN A 17 -10.621 -10.687 2.794 1.00 0.00 O ATOM 212 CB GLN A 17 -13.804 -10.503 2.432 1.00 0.00 C ATOM 213 CG GLN A 17 -15.280 -10.398 2.777 1.00 0.00 C ATOM 214 CD GLN A 17 -15.608 -9.152 3.560 1.00 0.00 C ATOM 215 OE1 GLN A 17 -15.588 -9.154 4.789 1.00 0.00 O ATOM 216 NE2 GLN A 17 -15.907 -8.074 2.854 1.00 0.00 N ATOM 0 H GLN A 17 -12.795 -9.410 5.333 1.00 0.00 H new ATOM 0 HA GLN A 17 -13.372 -11.290 4.384 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -13.509 -9.611 1.879 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -13.660 -11.353 1.765 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -15.865 -10.409 1.858 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -15.577 -11.274 3.354 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -15.912 -8.117 1.835 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -16.133 -7.200 3.329 1.00 0.00 H new ATOM 225 N VAL A 18 -11.562 -12.664 3.296 1.00 0.00 N ATOM 226 CA VAL A 18 -10.446 -13.456 2.799 1.00 0.00 C ATOM 227 C VAL A 18 -10.943 -14.445 1.749 1.00 0.00 C ATOM 228 O VAL A 18 -10.176 -14.918 0.901 1.00 0.00 O ATOM 229 CB VAL A 18 -9.728 -14.220 3.937 1.00 0.00 C ATOM 230 CG1 VAL A 18 -8.481 -14.925 3.421 1.00 0.00 C ATOM 231 CG2 VAL A 18 -9.369 -13.274 5.070 1.00 0.00 C ATOM 0 H VAL A 18 -12.311 -13.213 3.719 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.725 -12.770 2.353 1.00 0.00 H new ATOM 0 HB VAL A 18 -10.413 -14.977 4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.996 -15.454 4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.761 -15.638 2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.792 -14.189 3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.865 -13.829 5.861 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.707 -12.493 4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.277 -12.820 5.467 1.00 0.00 H new ATOM 241 N ASP A 19 -12.244 -14.742 1.816 1.00 0.00 N ATOM 242 CA ASP A 19 -12.903 -15.619 0.851 1.00 0.00 C ATOM 243 C ASP A 19 -12.147 -16.943 0.757 1.00 0.00 C ATOM 244 O ASP A 19 -11.681 -17.466 1.772 1.00 0.00 O ATOM 245 CB ASP A 19 -12.975 -14.927 -0.518 1.00 0.00 C ATOM 246 CG ASP A 19 -14.087 -15.466 -1.397 1.00 0.00 C ATOM 247 OD1 ASP A 19 -13.856 -16.453 -2.126 1.00 0.00 O ATOM 248 OD2 ASP A 19 -15.195 -14.895 -1.375 1.00 0.00 O ATOM 0 H ASP A 19 -12.866 -14.381 2.539 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.920 -15.827 1.182 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -13.122 -13.857 -0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -12.021 -15.050 -1.032 1.00 0.00 H new ATOM 253 N ASP A 20 -12.039 -17.494 -0.439 1.00 0.00 N ATOM 254 CA ASP A 20 -11.231 -18.683 -0.652 1.00 0.00 C ATOM 255 C ASP A 20 -9.767 -18.303 -0.818 1.00 0.00 C ATOM 256 O ASP A 20 -8.901 -18.788 -0.089 1.00 0.00 O ATOM 257 CB ASP A 20 -11.713 -19.441 -1.889 1.00 0.00 C ATOM 258 CG ASP A 20 -10.832 -20.629 -2.223 1.00 0.00 C ATOM 259 OD1 ASP A 20 -10.981 -21.684 -1.572 1.00 0.00 O ATOM 260 OD2 ASP A 20 -9.991 -20.514 -3.142 1.00 0.00 O ATOM 0 H ASP A 20 -12.500 -17.138 -1.277 1.00 0.00 H new ATOM 0 HA ASP A 20 -11.334 -19.329 0.220 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -12.734 -19.785 -1.725 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.738 -18.761 -2.741 1.00 0.00 H new ATOM 265 N THR A 21 -9.506 -17.404 -1.760 1.00 0.00 N ATOM 266 CA THR A 21 -8.147 -16.987 -2.078 1.00 0.00 C ATOM 267 C THR A 21 -8.105 -15.531 -2.555 1.00 0.00 C ATOM 268 O THR A 21 -7.302 -15.176 -3.423 1.00 0.00 O ATOM 269 CB THR A 21 -7.542 -17.892 -3.176 1.00 0.00 C ATOM 270 OG1 THR A 21 -8.546 -18.211 -4.152 1.00 0.00 O ATOM 271 CG2 THR A 21 -6.971 -19.178 -2.598 1.00 0.00 C ATOM 0 H THR A 21 -10.225 -16.947 -2.321 1.00 0.00 H new ATOM 0 HA THR A 21 -7.561 -17.076 -1.163 1.00 0.00 H new ATOM 0 HB THR A 21 -6.726 -17.342 -3.644 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.050 -18.999 -3.858 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.556 -19.785 -3.402 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.185 -18.938 -1.882 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.762 -19.734 -2.095 1.00 0.00 H new ATOM 279 N SER A 22 -8.959 -14.683 -1.985 1.00 0.00 N ATOM 280 CA SER A 22 -9.057 -13.299 -2.436 1.00 0.00 C ATOM 281 C SER A 22 -9.541 -12.379 -1.318 1.00 0.00 C ATOM 282 O SER A 22 -10.545 -12.663 -0.668 1.00 0.00 O ATOM 283 CB SER A 22 -10.012 -13.209 -3.630 1.00 0.00 C ATOM 284 OG SER A 22 -11.306 -13.685 -3.288 1.00 0.00 O ATOM 0 H SER A 22 -9.586 -14.927 -1.219 1.00 0.00 H new ATOM 0 HA SER A 22 -8.061 -12.971 -2.735 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.079 -12.175 -3.968 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.615 -13.791 -4.462 1.00 0.00 H new ATOM 0 HG SER A 22 -11.516 -13.428 -2.366 1.00 0.00 H new ATOM 290 N ILE A 23 -8.852 -11.261 -1.128 1.00 0.00 N ATOM 291 CA ILE A 23 -9.213 -10.312 -0.078 1.00 0.00 C ATOM 292 C ILE A 23 -9.653 -8.990 -0.684 1.00 0.00 C ATOM 293 O ILE A 23 -9.356 -8.701 -1.844 1.00 0.00 O ATOM 294 CB ILE A 23 -8.028 -10.001 0.866 1.00 0.00 C ATOM 295 CG1 ILE A 23 -6.951 -9.212 0.113 1.00 0.00 C ATOM 296 CG2 ILE A 23 -7.450 -11.279 1.454 1.00 0.00 C ATOM 297 CD1 ILE A 23 -6.008 -8.443 1.011 1.00 0.00 C ATOM 0 H ILE A 23 -8.042 -10.988 -1.685 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.019 -10.781 0.487 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.394 -9.392 1.693 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.371 -9.903 -0.499 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.437 -8.514 -0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.618 -11.032 2.114 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.221 -11.800 2.021 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.096 -11.922 0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.277 -7.912 0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.575 -7.726 1.605 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.492 -9.136 1.675 1.00 0.00 H new ATOM 309 N VAL A 24 -10.358 -8.191 0.100 1.00 0.00 N ATOM 310 CA VAL A 24 -10.670 -6.829 -0.291 1.00 0.00 C ATOM 311 C VAL A 24 -9.873 -5.865 0.580 1.00 0.00 C ATOM 312 O VAL A 24 -10.180 -5.673 1.756 1.00 0.00 O ATOM 313 CB VAL A 24 -12.178 -6.518 -0.155 1.00 0.00 C ATOM 314 CG1 VAL A 24 -12.490 -5.120 -0.666 1.00 0.00 C ATOM 315 CG2 VAL A 24 -13.011 -7.555 -0.894 1.00 0.00 C ATOM 0 H VAL A 24 -10.725 -8.464 1.012 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.401 -6.710 -1.341 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.437 -6.560 0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -13.557 -4.924 -0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.927 -4.387 -0.088 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -12.210 -5.046 -1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -14.069 -7.317 -0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -12.745 -7.549 -1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -12.817 -8.543 -0.476 1.00 0.00 H new ATOM 325 N VAL A 25 -8.841 -5.274 0.005 1.00 0.00 N ATOM 326 CA VAL A 25 -7.985 -4.358 0.738 1.00 0.00 C ATOM 327 C VAL A 25 -8.385 -2.911 0.446 1.00 0.00 C ATOM 328 O VAL A 25 -8.373 -2.466 -0.704 1.00 0.00 O ATOM 329 CB VAL A 25 -6.483 -4.608 0.425 1.00 0.00 C ATOM 330 CG1 VAL A 25 -6.226 -4.665 -1.071 1.00 0.00 C ATOM 331 CG2 VAL A 25 -5.594 -3.562 1.080 1.00 0.00 C ATOM 0 H VAL A 25 -8.575 -5.412 -0.970 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.122 -4.542 1.804 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.228 -5.580 0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.166 -4.841 -1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.808 -5.475 -1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.520 -3.719 -1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.551 -3.769 0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.863 -2.573 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.730 -3.594 2.161 1.00 0.00 H new ATOM 341 N ARG A 26 -8.785 -2.201 1.492 1.00 0.00 N ATOM 342 CA ARG A 26 -9.255 -0.827 1.364 1.00 0.00 C ATOM 343 C ARG A 26 -8.417 0.100 2.227 1.00 0.00 C ATOM 344 O ARG A 26 -8.160 -0.194 3.390 1.00 0.00 O ATOM 345 CB ARG A 26 -10.720 -0.725 1.792 1.00 0.00 C ATOM 346 CG ARG A 26 -11.657 -1.633 1.017 1.00 0.00 C ATOM 347 CD ARG A 26 -13.085 -1.518 1.520 1.00 0.00 C ATOM 348 NE ARG A 26 -13.604 -0.152 1.420 1.00 0.00 N ATOM 349 CZ ARG A 26 -14.692 0.274 2.062 1.00 0.00 C ATOM 350 NH1 ARG A 26 -15.365 -0.555 2.848 1.00 0.00 N ATOM 351 NH2 ARG A 26 -15.104 1.528 1.921 1.00 0.00 N ATOM 0 H ARG A 26 -8.793 -2.558 2.448 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.162 -0.531 0.319 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.795 -0.964 2.853 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.051 0.307 1.674 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.621 -1.376 -0.042 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.321 -2.666 1.106 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.724 -2.190 0.947 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.129 -1.845 2.559 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.105 0.510 0.826 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -15.050 -1.519 2.961 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.197 -0.229 3.339 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.588 2.170 1.320 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.937 1.850 2.414 1.00 0.00 H new ATOM 365 N TRP A 27 -8.003 1.222 1.670 1.00 0.00 N ATOM 366 CA TRP A 27 -7.180 2.166 2.409 1.00 0.00 C ATOM 367 C TRP A 27 -7.899 3.495 2.605 1.00 0.00 C ATOM 368 O TRP A 27 -8.513 4.032 1.681 1.00 0.00 O ATOM 369 CB TRP A 27 -5.825 2.369 1.718 1.00 0.00 C ATOM 370 CG TRP A 27 -5.908 2.520 0.229 1.00 0.00 C ATOM 371 CD1 TRP A 27 -6.042 3.682 -0.473 1.00 0.00 C ATOM 372 CD2 TRP A 27 -5.852 1.468 -0.743 1.00 0.00 C ATOM 373 NE1 TRP A 27 -6.078 3.417 -1.820 1.00 0.00 N ATOM 374 CE2 TRP A 27 -5.961 2.066 -2.012 1.00 0.00 C ATOM 375 CE3 TRP A 27 -5.721 0.079 -0.661 1.00 0.00 C ATOM 376 CZ2 TRP A 27 -5.942 1.322 -3.188 1.00 0.00 C ATOM 377 CZ3 TRP A 27 -5.702 -0.658 -1.830 1.00 0.00 C ATOM 378 CH2 TRP A 27 -5.812 -0.035 -3.080 1.00 0.00 C ATOM 0 H TRP A 27 -8.220 1.503 0.714 1.00 0.00 H new ATOM 0 HA TRP A 27 -6.996 1.743 3.397 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -5.347 3.255 2.135 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -5.181 1.520 1.950 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -6.110 4.666 -0.034 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -6.176 4.114 -2.558 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -5.636 -0.410 0.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -6.027 1.800 -4.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -5.601 -1.732 -1.779 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -5.794 -0.638 -3.976 1.00 0.00 H new ATOM 389 N SER A 28 -7.836 4.000 3.828 1.00 0.00 N ATOM 390 CA SER A 28 -8.457 5.268 4.172 1.00 0.00 C ATOM 391 C SER A 28 -7.497 6.420 3.901 1.00 0.00 C ATOM 392 O SER A 28 -6.286 6.272 4.044 1.00 0.00 O ATOM 393 CB SER A 28 -8.869 5.258 5.644 1.00 0.00 C ATOM 394 OG SER A 28 -9.754 4.180 5.913 1.00 0.00 O ATOM 0 H SER A 28 -7.356 3.545 4.605 1.00 0.00 H new ATOM 0 HA SER A 28 -9.344 5.407 3.554 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.983 5.173 6.274 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.351 6.202 5.898 1.00 0.00 H new ATOM 0 HG SER A 28 -10.004 4.191 6.860 1.00 0.00 H new ATOM 400 N ARG A 29 -8.042 7.558 3.500 1.00 0.00 N ATOM 401 CA ARG A 29 -7.244 8.737 3.190 1.00 0.00 C ATOM 402 C ARG A 29 -6.978 9.564 4.443 1.00 0.00 C ATOM 403 O ARG A 29 -7.771 9.541 5.386 1.00 0.00 O ATOM 404 CB ARG A 29 -7.962 9.585 2.139 1.00 0.00 C ATOM 405 CG ARG A 29 -7.903 8.994 0.742 1.00 0.00 C ATOM 406 CD ARG A 29 -6.522 9.167 0.130 1.00 0.00 C ATOM 407 NE ARG A 29 -6.215 10.576 -0.107 1.00 0.00 N ATOM 408 CZ ARG A 29 -4.989 11.093 -0.098 1.00 0.00 C ATOM 409 NH1 ARG A 29 -3.935 10.324 0.158 1.00 0.00 N ATOM 410 NH2 ARG A 29 -4.818 12.381 -0.346 1.00 0.00 N ATOM 0 H ARG A 29 -9.046 7.692 3.380 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.283 8.409 2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.005 9.705 2.431 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.519 10.581 2.123 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.156 7.935 0.781 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.647 9.476 0.108 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.772 8.737 0.794 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.468 8.618 -0.810 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.995 11.207 -0.292 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.063 9.330 0.349 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.998 10.728 0.163 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.624 12.974 -0.543 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.880 12.781 -0.340 1.00 0.00 H new ATOM 424 N PRO A 30 -5.847 10.289 4.478 1.00 0.00 N ATOM 425 CA PRO A 30 -5.500 11.164 5.602 1.00 0.00 C ATOM 426 C PRO A 30 -6.416 12.385 5.683 1.00 0.00 C ATOM 427 O PRO A 30 -6.103 13.419 5.052 1.00 0.00 O ATOM 428 CB PRO A 30 -4.058 11.581 5.303 1.00 0.00 C ATOM 429 CG PRO A 30 -3.916 11.443 3.829 1.00 0.00 C ATOM 430 CD PRO A 30 -4.811 10.305 3.428 1.00 0.00 C ATOM 431 OXT PRO A 30 -7.457 12.300 6.363 1.00 0.00 O ATOM 0 HA PRO A 30 -5.612 10.662 6.563 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.869 12.605 5.624 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.346 10.945 5.829 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.205 12.363 3.322 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.881 11.240 3.555 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.244 10.465 2.441 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.266 9.362 3.388 1.00 0.00 H new TER 439 PRO A 30 ATOM 440 N MET B 31 0.939 21.576 -16.157 1.00 0.00 N ATOM 441 CA MET B 31 1.521 22.902 -16.468 1.00 0.00 C ATOM 442 C MET B 31 0.574 24.021 -16.042 1.00 0.00 C ATOM 443 O MET B 31 1.004 25.137 -15.754 1.00 0.00 O ATOM 444 CB MET B 31 1.810 23.012 -17.967 1.00 0.00 C ATOM 445 CG MET B 31 2.541 24.287 -18.358 1.00 0.00 C ATOM 446 SD MET B 31 2.812 24.420 -20.136 1.00 0.00 S ATOM 447 CE MET B 31 3.747 25.947 -20.212 1.00 0.00 C ATOM 0 HA MET B 31 2.454 23.004 -15.913 1.00 0.00 H new ATOM 0 HB2 MET B 31 2.405 22.153 -18.277 1.00 0.00 H new ATOM 0 HB3 MET B 31 0.869 22.961 -18.514 1.00 0.00 H new ATOM 0 HG2 MET B 31 1.967 25.149 -18.017 1.00 0.00 H new ATOM 0 HG3 MET B 31 3.502 24.321 -17.845 1.00 0.00 H new ATOM 0 HE1 MET B 31 3.994 26.171 -21.250 1.00 0.00 H new ATOM 0 HE2 MET B 31 3.151 26.760 -19.797 1.00 0.00 H new ATOM 0 HE3 MET B 31 4.666 25.840 -19.635 1.00 0.00 H new ATOM 459 N ARG B 32 -0.716 23.717 -15.994 1.00 0.00 N ATOM 460 CA ARG B 32 -1.719 24.702 -15.619 1.00 0.00 C ATOM 461 C ARG B 32 -1.857 24.757 -14.096 1.00 0.00 C ATOM 462 O ARG B 32 -2.906 24.429 -13.537 1.00 0.00 O ATOM 463 CB ARG B 32 -3.063 24.350 -16.267 1.00 0.00 C ATOM 464 CG ARG B 32 -4.113 25.442 -16.142 1.00 0.00 C ATOM 465 CD ARG B 32 -5.479 24.950 -16.589 1.00 0.00 C ATOM 466 NE ARG B 32 -5.950 23.842 -15.760 1.00 0.00 N ATOM 467 CZ ARG B 32 -6.957 23.038 -16.084 1.00 0.00 C ATOM 468 NH1 ARG B 32 -7.628 23.222 -17.214 1.00 0.00 N ATOM 469 NH2 ARG B 32 -7.295 22.047 -15.271 1.00 0.00 N ATOM 0 H ARG B 32 -1.092 22.794 -16.211 1.00 0.00 H new ATOM 0 HA ARG B 32 -1.406 25.684 -15.974 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -2.901 24.135 -17.323 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -3.447 23.437 -15.811 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -4.167 25.780 -15.107 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -3.819 26.302 -16.744 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -6.195 25.770 -16.542 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -5.429 24.630 -17.630 1.00 0.00 H new ATOM 0 HE ARG B 32 -5.474 23.675 -14.874 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -7.372 23.985 -17.841 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -8.400 22.601 -17.456 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -6.783 21.904 -14.401 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -8.067 21.427 -15.516 1.00 0.00 H new ATOM 483 N GLY B 33 -0.785 25.156 -13.429 1.00 0.00 N ATOM 484 CA GLY B 33 -0.801 25.237 -11.983 1.00 0.00 C ATOM 485 C GLY B 33 -0.367 26.594 -11.479 1.00 0.00 C ATOM 486 O GLY B 33 0.159 26.716 -10.370 1.00 0.00 O ATOM 0 H GLY B 33 0.097 25.426 -13.864 1.00 0.00 H new ATOM 0 HA2 GLY B 33 -1.806 25.022 -11.621 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -0.143 24.472 -11.571 1.00 0.00 H new ATOM 490 N SER B 34 -0.588 27.618 -12.290 1.00 0.00 N ATOM 491 CA SER B 34 -0.232 28.975 -11.915 1.00 0.00 C ATOM 492 C SER B 34 -1.306 29.544 -10.995 1.00 0.00 C ATOM 493 O SER B 34 -1.028 29.917 -9.855 1.00 0.00 O ATOM 494 CB SER B 34 -0.062 29.848 -13.163 1.00 0.00 C ATOM 495 OG SER B 34 0.503 31.112 -12.842 1.00 0.00 O ATOM 0 H SER B 34 -1.013 27.533 -13.213 1.00 0.00 H new ATOM 0 HA SER B 34 0.719 28.965 -11.383 1.00 0.00 H new ATOM 0 HB2 SER B 34 0.576 29.335 -13.883 1.00 0.00 H new ATOM 0 HB3 SER B 34 -1.030 29.992 -13.642 1.00 0.00 H new ATOM 0 HG SER B 34 0.600 31.644 -13.659 1.00 0.00 H new ATOM 501 N ASN B 35 -2.537 29.583 -11.485 1.00 0.00 N ATOM 502 CA ASN B 35 -3.659 30.038 -10.678 1.00 0.00 C ATOM 503 C ASN B 35 -4.466 28.845 -10.187 1.00 0.00 C ATOM 504 O ASN B 35 -4.903 28.010 -10.983 1.00 0.00 O ATOM 505 CB ASN B 35 -4.553 31.017 -11.455 1.00 0.00 C ATOM 506 CG ASN B 35 -5.078 30.456 -12.766 1.00 0.00 C ATOM 507 OD1 ASN B 35 -6.132 29.819 -12.810 1.00 0.00 O ATOM 508 ND2 ASN B 35 -4.355 30.699 -13.848 1.00 0.00 N ATOM 0 H ASN B 35 -2.783 29.306 -12.435 1.00 0.00 H new ATOM 0 HA ASN B 35 -3.261 30.575 -9.817 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -5.398 31.300 -10.827 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -3.988 31.927 -11.659 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -4.666 30.355 -14.757 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -3.487 31.230 -13.773 1.00 0.00 H new ATOM 515 N ALA B 36 -4.619 28.759 -8.866 1.00 0.00 N ATOM 516 CA ALA B 36 -5.368 27.680 -8.222 1.00 0.00 C ATOM 517 C ALA B 36 -4.860 26.301 -8.651 1.00 0.00 C ATOM 518 O ALA B 36 -5.507 25.609 -9.438 1.00 0.00 O ATOM 519 CB ALA B 36 -6.858 27.814 -8.511 1.00 0.00 C ATOM 0 H ALA B 36 -4.227 29.436 -8.211 1.00 0.00 H new ATOM 0 HA ALA B 36 -5.210 27.769 -7.147 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -7.398 27.002 -8.023 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -7.218 28.770 -8.130 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -7.026 27.766 -9.587 1.00 0.00 H new ATOM 525 N PRO B 37 -3.685 25.889 -8.149 1.00 0.00 N ATOM 526 CA PRO B 37 -3.110 24.578 -8.456 1.00 0.00 C ATOM 527 C PRO B 37 -3.907 23.447 -7.808 1.00 0.00 C ATOM 528 O PRO B 37 -4.679 23.675 -6.875 1.00 0.00 O ATOM 529 CB PRO B 37 -1.696 24.644 -7.855 1.00 0.00 C ATOM 530 CG PRO B 37 -1.471 26.079 -7.507 1.00 0.00 C ATOM 531 CD PRO B 37 -2.827 26.659 -7.240 1.00 0.00 C ATOM 0 HA PRO B 37 -3.115 24.371 -9.526 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -1.616 24.010 -6.972 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -0.951 24.293 -8.568 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -0.828 26.172 -6.632 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -0.976 26.605 -8.323 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -3.124 26.535 -6.199 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -2.862 27.727 -7.456 1.00 0.00 H new ATOM 539 N GLN B 38 -3.723 22.235 -8.309 1.00 0.00 N ATOM 540 CA GLN B 38 -4.404 21.073 -7.755 1.00 0.00 C ATOM 541 C GLN B 38 -3.673 20.575 -6.510 1.00 0.00 C ATOM 542 O GLN B 38 -2.496 20.213 -6.573 1.00 0.00 O ATOM 543 CB GLN B 38 -4.529 19.956 -8.804 1.00 0.00 C ATOM 544 CG GLN B 38 -3.232 19.615 -9.525 1.00 0.00 C ATOM 545 CD GLN B 38 -3.370 18.411 -10.439 1.00 0.00 C ATOM 546 OE1 GLN B 38 -4.448 18.129 -10.967 1.00 0.00 O ATOM 547 NE2 GLN B 38 -2.275 17.696 -10.638 1.00 0.00 N ATOM 0 H GLN B 38 -3.109 22.030 -9.097 1.00 0.00 H new ATOM 0 HA GLN B 38 -5.412 21.370 -7.466 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -4.905 19.057 -8.315 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -5.273 20.252 -9.543 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -2.909 20.476 -10.111 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -2.452 19.420 -8.789 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -1.402 17.962 -10.183 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -2.304 16.878 -11.247 1.00 0.00 H new ATOM 556 N PRO B 39 -4.364 20.571 -5.355 1.00 0.00 N ATOM 557 CA PRO B 39 -3.770 20.176 -4.071 1.00 0.00 C ATOM 558 C PRO B 39 -3.429 18.688 -4.008 1.00 0.00 C ATOM 559 O PRO B 39 -3.594 17.964 -4.990 1.00 0.00 O ATOM 560 CB PRO B 39 -4.857 20.522 -3.050 1.00 0.00 C ATOM 561 CG PRO B 39 -6.129 20.506 -3.821 1.00 0.00 C ATOM 562 CD PRO B 39 -5.780 20.957 -5.211 1.00 0.00 C ATOM 0 HA PRO B 39 -2.823 20.685 -3.895 1.00 0.00 H new ATOM 0 HB2 PRO B 39 -4.879 19.797 -2.237 1.00 0.00 H new ATOM 0 HB3 PRO B 39 -4.680 21.499 -2.601 1.00 0.00 H new ATOM 0 HG2 PRO B 39 -6.565 19.507 -3.833 1.00 0.00 H new ATOM 0 HG3 PRO B 39 -6.867 21.170 -3.370 1.00 0.00 H new ATOM 0 HD2 PRO B 39 -6.406 20.471 -5.959 1.00 0.00 H new ATOM 0 HD3 PRO B 39 -5.917 22.032 -5.330 1.00 0.00 H new ATOM 570 N SER B 40 -2.975 18.242 -2.841 1.00 0.00 N ATOM 571 CA SER B 40 -2.517 16.870 -2.647 1.00 0.00 C ATOM 572 C SER B 40 -3.534 15.832 -3.127 1.00 0.00 C ATOM 573 O SER B 40 -4.658 15.749 -2.628 1.00 0.00 O ATOM 574 CB SER B 40 -2.186 16.642 -1.173 1.00 0.00 C ATOM 575 OG SER B 40 -1.174 17.537 -0.739 1.00 0.00 O ATOM 0 H SER B 40 -2.914 18.821 -2.003 1.00 0.00 H new ATOM 0 HA SER B 40 -1.622 16.738 -3.256 1.00 0.00 H new ATOM 0 HB2 SER B 40 -3.083 16.780 -0.569 1.00 0.00 H new ATOM 0 HB3 SER B 40 -1.856 15.614 -1.025 1.00 0.00 H new ATOM 0 HG SER B 40 -0.978 17.375 0.208 1.00 0.00 H new ATOM 581 N HIS B 41 -3.118 15.060 -4.122 1.00 0.00 N ATOM 582 CA HIS B 41 -3.901 13.949 -4.650 1.00 0.00 C ATOM 583 C HIS B 41 -2.962 12.821 -5.045 1.00 0.00 C ATOM 584 O HIS B 41 -1.760 13.039 -5.215 1.00 0.00 O ATOM 585 CB HIS B 41 -4.721 14.376 -5.871 1.00 0.00 C ATOM 586 CG HIS B 41 -5.912 15.227 -5.553 1.00 0.00 C ATOM 587 ND1 HIS B 41 -5.872 16.603 -5.537 1.00 0.00 N ATOM 588 CD2 HIS B 41 -7.186 14.888 -5.250 1.00 0.00 C ATOM 589 CE1 HIS B 41 -7.067 17.074 -5.237 1.00 0.00 C ATOM 590 NE2 HIS B 41 -7.884 16.053 -5.059 1.00 0.00 N ATOM 0 H HIS B 41 -2.221 15.188 -4.590 1.00 0.00 H new ATOM 0 HA HIS B 41 -4.592 13.616 -3.875 1.00 0.00 H new ATOM 0 HB2 HIS B 41 -4.072 14.923 -6.555 1.00 0.00 H new ATOM 0 HB3 HIS B 41 -5.059 13.483 -6.397 1.00 0.00 H new ATOM 0 HD1 HIS B 41 -5.046 17.170 -5.728 1.00 0.00 H new ATOM 0 HD2 HIS B 41 -7.580 13.886 -5.173 1.00 0.00 H new ATOM 0 HE1 HIS B 41 -7.332 18.118 -5.152 1.00 0.00 H new ATOM 599 N ILE B 42 -3.498 11.620 -5.174 1.00 0.00 N ATOM 600 CA ILE B 42 -2.702 10.473 -5.582 1.00 0.00 C ATOM 601 C ILE B 42 -3.015 10.097 -7.023 1.00 0.00 C ATOM 602 O ILE B 42 -4.177 9.984 -7.418 1.00 0.00 O ATOM 603 CB ILE B 42 -2.924 9.252 -4.649 1.00 0.00 C ATOM 604 CG1 ILE B 42 -2.037 9.346 -3.403 1.00 0.00 C ATOM 605 CG2 ILE B 42 -2.646 7.944 -5.378 1.00 0.00 C ATOM 606 CD1 ILE B 42 -2.292 10.561 -2.544 1.00 0.00 C ATOM 0 H ILE B 42 -4.482 11.412 -5.002 1.00 0.00 H new ATOM 0 HA ILE B 42 -1.653 10.760 -5.505 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.969 9.265 -4.341 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -2.186 8.451 -2.798 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -0.993 9.350 -3.715 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -2.810 7.107 -4.699 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.316 7.854 -6.233 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.613 7.933 -5.724 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -1.621 10.547 -1.685 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.114 11.464 -3.128 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -3.325 10.551 -2.197 1.00 0.00 H new ATOM 618 N SER B 43 -1.960 9.923 -7.798 1.00 0.00 N ATOM 619 CA SER B 43 -2.072 9.580 -9.200 1.00 0.00 C ATOM 620 C SER B 43 -2.386 8.095 -9.370 1.00 0.00 C ATOM 621 O SER B 43 -3.221 7.719 -10.193 1.00 0.00 O ATOM 622 CB SER B 43 -0.765 9.936 -9.908 1.00 0.00 C ATOM 623 OG SER B 43 -0.485 11.322 -9.793 1.00 0.00 O ATOM 0 H SER B 43 -0.999 10.016 -7.470 1.00 0.00 H new ATOM 0 HA SER B 43 -2.891 10.146 -9.644 1.00 0.00 H new ATOM 0 HB2 SER B 43 0.054 9.359 -9.479 1.00 0.00 H new ATOM 0 HB3 SER B 43 -0.831 9.661 -10.961 1.00 0.00 H new ATOM 0 HG SER B 43 0.357 11.525 -10.252 1.00 0.00 H new ATOM 629 N LYS B 44 -1.720 7.256 -8.582 1.00 0.00 N ATOM 630 CA LYS B 44 -1.931 5.815 -8.644 1.00 0.00 C ATOM 631 C LYS B 44 -1.466 5.146 -7.352 1.00 0.00 C ATOM 632 O LYS B 44 -0.496 5.583 -6.728 1.00 0.00 O ATOM 633 CB LYS B 44 -1.195 5.214 -9.851 1.00 0.00 C ATOM 634 CG LYS B 44 0.302 5.480 -9.857 1.00 0.00 C ATOM 635 CD LYS B 44 0.976 4.907 -11.095 1.00 0.00 C ATOM 636 CE LYS B 44 2.463 5.223 -11.106 1.00 0.00 C ATOM 637 NZ LYS B 44 3.168 4.595 -12.255 1.00 0.00 N ATOM 0 H LYS B 44 -1.029 7.551 -7.892 1.00 0.00 H new ATOM 0 HA LYS B 44 -2.999 5.632 -8.762 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -1.362 4.137 -9.866 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -1.629 5.617 -10.766 1.00 0.00 H new ATOM 0 HG2 LYS B 44 0.480 6.554 -9.812 1.00 0.00 H new ATOM 0 HG3 LYS B 44 0.752 5.044 -8.965 1.00 0.00 H new ATOM 0 HD2 LYS B 44 0.831 3.827 -11.125 1.00 0.00 H new ATOM 0 HD3 LYS B 44 0.508 5.317 -11.990 1.00 0.00 H new ATOM 0 HE2 LYS B 44 2.602 6.303 -11.145 1.00 0.00 H new ATOM 0 HE3 LYS B 44 2.912 4.877 -10.175 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 4.178 4.840 -12.218 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 3.060 3.562 -12.206 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 2.760 4.944 -13.146 1.00 0.00 H new ATOM 651 N TYR B 45 -2.176 4.107 -6.945 1.00 0.00 N ATOM 652 CA TYR B 45 -1.799 3.320 -5.780 1.00 0.00 C ATOM 653 C TYR B 45 -1.196 1.999 -6.233 1.00 0.00 C ATOM 654 O TYR B 45 -1.798 1.284 -7.031 1.00 0.00 O ATOM 655 CB TYR B 45 -3.015 3.028 -4.895 1.00 0.00 C ATOM 656 CG TYR B 45 -3.689 4.246 -4.299 1.00 0.00 C ATOM 657 CD1 TYR B 45 -3.133 4.912 -3.216 1.00 0.00 C ATOM 658 CD2 TYR B 45 -4.898 4.710 -4.804 1.00 0.00 C ATOM 659 CE1 TYR B 45 -3.761 6.008 -2.652 1.00 0.00 C ATOM 660 CE2 TYR B 45 -5.529 5.808 -4.249 1.00 0.00 C ATOM 661 CZ TYR B 45 -4.959 6.451 -3.173 1.00 0.00 C ATOM 662 OH TYR B 45 -5.583 7.545 -2.617 1.00 0.00 O ATOM 0 H TYR B 45 -3.026 3.786 -7.409 1.00 0.00 H new ATOM 0 HA TYR B 45 -1.073 3.894 -5.204 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -3.749 2.479 -5.484 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -2.703 2.372 -4.083 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -2.194 4.569 -2.807 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -5.352 4.205 -5.644 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -3.316 6.514 -1.808 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -6.465 6.160 -4.658 1.00 0.00 H new ATOM 0 HH TYR B 45 -6.415 7.728 -3.101 1.00 0.00 H new ATOM 672 N ILE B 46 -0.015 1.676 -5.741 1.00 0.00 N ATOM 673 CA ILE B 46 0.609 0.404 -6.071 1.00 0.00 C ATOM 674 C ILE B 46 0.563 -0.524 -4.865 1.00 0.00 C ATOM 675 O ILE B 46 1.117 -0.222 -3.807 1.00 0.00 O ATOM 676 CB ILE B 46 2.072 0.561 -6.572 1.00 0.00 C ATOM 677 CG1 ILE B 46 2.115 1.152 -7.989 1.00 0.00 C ATOM 678 CG2 ILE B 46 2.797 -0.781 -6.553 1.00 0.00 C ATOM 679 CD1 ILE B 46 1.715 2.608 -8.073 1.00 0.00 C ATOM 0 H ILE B 46 0.530 2.270 -5.116 1.00 0.00 H new ATOM 0 HA ILE B 46 0.040 -0.028 -6.894 1.00 0.00 H new ATOM 0 HB ILE B 46 2.577 1.249 -5.894 1.00 0.00 H new ATOM 0 HG12 ILE B 46 3.125 1.042 -8.384 1.00 0.00 H new ATOM 0 HG13 ILE B 46 1.456 0.569 -8.632 1.00 0.00 H new ATOM 0 HG21 ILE B 46 3.819 -0.647 -6.908 1.00 0.00 H new ATOM 0 HG22 ILE B 46 2.814 -1.171 -5.535 1.00 0.00 H new ATOM 0 HG23 ILE B 46 2.277 -1.485 -7.203 1.00 0.00 H new ATOM 0 HD11 ILE B 46 1.774 2.942 -9.109 1.00 0.00 H new ATOM 0 HD12 ILE B 46 0.694 2.726 -7.711 1.00 0.00 H new ATOM 0 HD13 ILE B 46 2.389 3.206 -7.460 1.00 0.00 H new ATOM 691 N LEU B 47 -0.130 -1.636 -5.030 1.00 0.00 N ATOM 692 CA LEU B 47 -0.267 -2.626 -3.977 1.00 0.00 C ATOM 693 C LEU B 47 0.767 -3.723 -4.194 1.00 0.00 C ATOM 694 O LEU B 47 0.741 -4.413 -5.214 1.00 0.00 O ATOM 695 CB LEU B 47 -1.694 -3.214 -4.010 1.00 0.00 C ATOM 696 CG LEU B 47 -2.257 -3.793 -2.697 1.00 0.00 C ATOM 697 CD1 LEU B 47 -1.380 -4.900 -2.137 1.00 0.00 C ATOM 698 CD2 LEU B 47 -2.454 -2.700 -1.661 1.00 0.00 C ATOM 0 H LEU B 47 -0.613 -1.878 -5.895 1.00 0.00 H new ATOM 0 HA LEU B 47 -0.101 -2.167 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU B 47 -2.372 -2.431 -4.350 1.00 0.00 H new ATOM 0 HB3 LEU B 47 -1.715 -4.003 -4.762 1.00 0.00 H new ATOM 0 HG LEU B 47 -3.227 -4.230 -2.934 1.00 0.00 H new ATOM 0 HD11 LEU B 47 -1.816 -5.277 -1.212 1.00 0.00 H new ATOM 0 HD12 LEU B 47 -1.310 -5.711 -2.862 1.00 0.00 H new ATOM 0 HD13 LEU B 47 -0.384 -4.507 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU B 47 -2.852 -3.135 -0.744 1.00 0.00 H new ATOM 0 HD22 LEU B 47 -1.497 -2.222 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU B 47 -3.154 -1.958 -2.044 1.00 0.00 H new ATOM 710 N ARG B 48 1.695 -3.853 -3.263 1.00 0.00 N ATOM 711 CA ARG B 48 2.690 -4.912 -3.327 1.00 0.00 C ATOM 712 C ARG B 48 2.527 -5.871 -2.161 1.00 0.00 C ATOM 713 O ARG B 48 2.297 -5.443 -1.033 1.00 0.00 O ATOM 714 CB ARG B 48 4.108 -4.339 -3.335 1.00 0.00 C ATOM 715 CG ARG B 48 4.521 -3.757 -4.669 1.00 0.00 C ATOM 716 CD ARG B 48 5.967 -3.301 -4.643 1.00 0.00 C ATOM 717 NE ARG B 48 6.391 -2.781 -5.937 1.00 0.00 N ATOM 718 CZ ARG B 48 7.633 -2.391 -6.218 1.00 0.00 C ATOM 719 NH1 ARG B 48 8.572 -2.415 -5.281 1.00 0.00 N ATOM 720 NH2 ARG B 48 7.927 -1.979 -7.443 1.00 0.00 N ATOM 0 H ARG B 48 1.782 -3.239 -2.453 1.00 0.00 H new ATOM 0 HA ARG B 48 2.533 -5.456 -4.258 1.00 0.00 H new ATOM 0 HB2 ARG B 48 4.182 -3.564 -2.572 1.00 0.00 H new ATOM 0 HB3 ARG B 48 4.810 -5.126 -3.059 1.00 0.00 H new ATOM 0 HG2 ARG B 48 4.386 -4.503 -5.452 1.00 0.00 H new ATOM 0 HG3 ARG B 48 3.875 -2.914 -4.917 1.00 0.00 H new ATOM 0 HD2 ARG B 48 6.092 -2.530 -3.882 1.00 0.00 H new ATOM 0 HD3 ARG B 48 6.607 -4.136 -4.359 1.00 0.00 H new ATOM 0 HE ARG B 48 5.691 -2.711 -6.675 1.00 0.00 H new ATOM 0 HH11 ARG B 48 8.345 -2.733 -4.339 1.00 0.00 H new ATOM 0 HH12 ARG B 48 9.521 -2.115 -5.503 1.00 0.00 H new ATOM 0 HH21 ARG B 48 7.204 -1.962 -8.163 1.00 0.00 H new ATOM 0 HH22 ARG B 48 8.876 -1.679 -7.666 1.00 0.00 H new ATOM 734 N TRP B 49 2.633 -7.163 -2.440 1.00 0.00 N ATOM 735 CA TRP B 49 2.530 -8.173 -1.399 1.00 0.00 C ATOM 736 C TRP B 49 3.515 -9.309 -1.651 1.00 0.00 C ATOM 737 O TRP B 49 3.804 -9.655 -2.799 1.00 0.00 O ATOM 738 CB TRP B 49 1.095 -8.709 -1.287 1.00 0.00 C ATOM 739 CG TRP B 49 0.594 -9.443 -2.499 1.00 0.00 C ATOM 740 CD1 TRP B 49 0.529 -10.796 -2.665 1.00 0.00 C ATOM 741 CD2 TRP B 49 0.073 -8.868 -3.705 1.00 0.00 C ATOM 742 NE1 TRP B 49 -0.001 -11.097 -3.896 1.00 0.00 N ATOM 743 CE2 TRP B 49 -0.286 -9.931 -4.553 1.00 0.00 C ATOM 744 CE3 TRP B 49 -0.125 -7.559 -4.149 1.00 0.00 C ATOM 745 CZ2 TRP B 49 -0.831 -9.724 -5.817 1.00 0.00 C ATOM 746 CZ3 TRP B 49 -0.665 -7.355 -5.403 1.00 0.00 C ATOM 747 CH2 TRP B 49 -1.015 -8.431 -6.225 1.00 0.00 C ATOM 0 H TRP B 49 2.790 -7.535 -3.377 1.00 0.00 H new ATOM 0 HA TRP B 49 2.785 -7.703 -0.449 1.00 0.00 H new ATOM 0 HB2 TRP B 49 1.039 -9.377 -0.428 1.00 0.00 H new ATOM 0 HB3 TRP B 49 0.426 -7.873 -1.085 1.00 0.00 H new ATOM 0 HD1 TRP B 49 0.848 -11.525 -1.934 1.00 0.00 H new ATOM 0 HE1 TRP B 49 -0.157 -12.037 -4.261 1.00 0.00 H new ATOM 0 HE3 TRP B 49 0.140 -6.720 -3.522 1.00 0.00 H new ATOM 0 HZ2 TRP B 49 -1.099 -10.555 -6.453 1.00 0.00 H new ATOM 0 HZ3 TRP B 49 -0.820 -6.346 -5.756 1.00 0.00 H new ATOM 0 HH2 TRP B 49 -1.438 -8.238 -7.200 1.00 0.00 H new ATOM 758 N ARG B 50 4.035 -9.868 -0.568 1.00 0.00 N ATOM 759 CA ARG B 50 5.036 -10.922 -0.641 1.00 0.00 C ATOM 760 C ARG B 50 4.733 -11.988 0.409 1.00 0.00 C ATOM 761 O ARG B 50 4.483 -11.658 1.570 1.00 0.00 O ATOM 762 CB ARG B 50 6.427 -10.309 -0.406 1.00 0.00 C ATOM 763 CG ARG B 50 7.612 -11.178 -0.821 1.00 0.00 C ATOM 764 CD ARG B 50 7.897 -12.295 0.169 1.00 0.00 C ATOM 765 NE ARG B 50 8.114 -11.797 1.527 1.00 0.00 N ATOM 766 CZ ARG B 50 8.853 -12.423 2.440 1.00 0.00 C ATOM 767 NH1 ARG B 50 9.465 -13.562 2.141 1.00 0.00 N ATOM 768 NH2 ARG B 50 8.968 -11.917 3.657 1.00 0.00 N ATOM 0 H ARG B 50 3.776 -9.605 0.383 1.00 0.00 H new ATOM 0 HA ARG B 50 5.016 -11.391 -1.625 1.00 0.00 H new ATOM 0 HB2 ARG B 50 6.484 -9.365 -0.949 1.00 0.00 H new ATOM 0 HB3 ARG B 50 6.526 -10.074 0.654 1.00 0.00 H new ATOM 0 HG2 ARG B 50 7.414 -11.610 -1.802 1.00 0.00 H new ATOM 0 HG3 ARG B 50 8.499 -10.552 -0.921 1.00 0.00 H new ATOM 0 HD2 ARG B 50 7.062 -12.996 0.171 1.00 0.00 H new ATOM 0 HD3 ARG B 50 8.777 -12.849 -0.157 1.00 0.00 H new ATOM 0 HE ARG B 50 7.672 -10.916 1.790 1.00 0.00 H new ATOM 0 HH11 ARG B 50 9.370 -13.962 1.208 1.00 0.00 H new ATOM 0 HH12 ARG B 50 10.030 -14.037 2.845 1.00 0.00 H new ATOM 0 HH21 ARG B 50 8.490 -11.048 3.895 1.00 0.00 H new ATOM 0 HH22 ARG B 50 9.534 -12.396 4.357 1.00 0.00 H new ATOM 782 N PRO B 51 4.722 -13.275 0.014 1.00 0.00 N ATOM 783 CA PRO B 51 4.511 -14.382 0.952 1.00 0.00 C ATOM 784 C PRO B 51 5.649 -14.489 1.967 1.00 0.00 C ATOM 785 O PRO B 51 6.783 -14.805 1.621 1.00 0.00 O ATOM 786 CB PRO B 51 4.465 -15.620 0.049 1.00 0.00 C ATOM 787 CG PRO B 51 5.169 -15.215 -1.201 1.00 0.00 C ATOM 788 CD PRO B 51 4.896 -13.748 -1.371 1.00 0.00 C ATOM 0 HA PRO B 51 3.607 -14.253 1.547 1.00 0.00 H new ATOM 0 HB2 PRO B 51 4.957 -16.471 0.521 1.00 0.00 H new ATOM 0 HB3 PRO B 51 3.437 -15.920 -0.157 1.00 0.00 H new ATOM 0 HG2 PRO B 51 6.239 -15.407 -1.126 1.00 0.00 H new ATOM 0 HG3 PRO B 51 4.803 -15.782 -2.057 1.00 0.00 H new ATOM 0 HD2 PRO B 51 5.722 -13.240 -1.869 1.00 0.00 H new ATOM 0 HD3 PRO B 51 4.004 -13.571 -1.972 1.00 0.00 H new ATOM 796 N LYS B 52 5.309 -14.257 3.226 1.00 0.00 N ATOM 797 CA LYS B 52 6.275 -14.154 4.316 1.00 0.00 C ATOM 798 C LYS B 52 7.033 -15.466 4.509 1.00 0.00 C ATOM 799 O LYS B 52 8.238 -15.472 4.764 1.00 0.00 O ATOM 800 CB LYS B 52 5.518 -13.786 5.600 1.00 0.00 C ATOM 801 CG LYS B 52 6.266 -12.872 6.562 1.00 0.00 C ATOM 802 CD LYS B 52 7.413 -13.579 7.262 1.00 0.00 C ATOM 803 CE LYS B 52 8.063 -12.688 8.312 1.00 0.00 C ATOM 804 NZ LYS B 52 8.661 -11.458 7.724 1.00 0.00 N ATOM 0 H LYS B 52 4.342 -14.133 3.526 1.00 0.00 H new ATOM 0 HA LYS B 52 7.009 -13.385 4.075 1.00 0.00 H new ATOM 0 HB2 LYS B 52 4.580 -13.304 5.323 1.00 0.00 H new ATOM 0 HB3 LYS B 52 5.261 -14.706 6.126 1.00 0.00 H new ATOM 0 HG2 LYS B 52 6.653 -12.012 6.015 1.00 0.00 H new ATOM 0 HG3 LYS B 52 5.570 -12.488 7.308 1.00 0.00 H new ATOM 0 HD2 LYS B 52 7.046 -14.490 7.734 1.00 0.00 H new ATOM 0 HD3 LYS B 52 8.159 -13.879 6.526 1.00 0.00 H new ATOM 0 HE2 LYS B 52 7.318 -12.406 9.056 1.00 0.00 H new ATOM 0 HE3 LYS B 52 8.837 -13.251 8.833 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 9.178 -10.937 8.461 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 9.317 -11.721 6.962 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 7.906 -10.855 7.338 1.00 0.00 H new ATOM 818 N ASN B 53 6.319 -16.573 4.371 1.00 0.00 N ATOM 819 CA ASN B 53 6.889 -17.892 4.624 1.00 0.00 C ATOM 820 C ASN B 53 7.477 -18.514 3.359 1.00 0.00 C ATOM 821 O ASN B 53 7.911 -19.666 3.371 1.00 0.00 O ATOM 822 CB ASN B 53 5.829 -18.825 5.215 1.00 0.00 C ATOM 823 CG ASN B 53 4.582 -18.914 4.358 1.00 0.00 C ATOM 824 OD1 ASN B 53 3.628 -18.160 4.552 1.00 0.00 O ATOM 825 ND2 ASN B 53 4.589 -19.820 3.395 1.00 0.00 N ATOM 0 H ASN B 53 5.340 -16.586 4.084 1.00 0.00 H new ATOM 0 HA ASN B 53 7.701 -17.761 5.340 1.00 0.00 H new ATOM 0 HB2 ASN B 53 6.254 -19.821 5.334 1.00 0.00 H new ATOM 0 HB3 ASN B 53 5.556 -18.474 6.210 1.00 0.00 H new ATOM 0 HD21 ASN B 53 3.783 -19.914 2.778 1.00 0.00 H new ATOM 0 HD22 ASN B 53 5.401 -20.425 3.269 1.00 0.00 H new ATOM 832 N SER B 54 7.491 -17.760 2.271 1.00 0.00 N ATOM 833 CA SER B 54 8.017 -18.265 1.012 1.00 0.00 C ATOM 834 C SER B 54 9.078 -17.323 0.446 1.00 0.00 C ATOM 835 O SER B 54 9.073 -16.123 0.722 1.00 0.00 O ATOM 836 CB SER B 54 6.881 -18.444 0.003 1.00 0.00 C ATOM 837 OG SER B 54 5.848 -19.257 0.539 1.00 0.00 O ATOM 0 H SER B 54 7.146 -16.801 2.234 1.00 0.00 H new ATOM 0 HA SER B 54 8.484 -19.232 1.200 1.00 0.00 H new ATOM 0 HB2 SER B 54 6.477 -17.470 -0.271 1.00 0.00 H new ATOM 0 HB3 SER B 54 7.268 -18.897 -0.910 1.00 0.00 H new ATOM 0 HG SER B 54 5.132 -19.356 -0.123 1.00 0.00 H new ATOM 843 N VAL B 55 9.983 -17.873 -0.352 1.00 0.00 N ATOM 844 CA VAL B 55 11.056 -17.092 -0.966 1.00 0.00 C ATOM 845 C VAL B 55 10.574 -16.372 -2.229 1.00 0.00 C ATOM 846 O VAL B 55 11.330 -16.189 -3.187 1.00 0.00 O ATOM 847 CB VAL B 55 12.263 -17.988 -1.322 1.00 0.00 C ATOM 848 CG1 VAL B 55 12.923 -18.524 -0.062 1.00 0.00 C ATOM 849 CG2 VAL B 55 11.828 -19.135 -2.225 1.00 0.00 C ATOM 0 H VAL B 55 9.998 -18.864 -0.593 1.00 0.00 H new ATOM 0 HA VAL B 55 11.365 -16.348 -0.232 1.00 0.00 H new ATOM 0 HB VAL B 55 12.992 -17.382 -1.860 1.00 0.00 H new ATOM 0 HG11 VAL B 55 13.771 -19.153 -0.335 1.00 0.00 H new ATOM 0 HG12 VAL B 55 13.271 -17.691 0.549 1.00 0.00 H new ATOM 0 HG13 VAL B 55 12.202 -19.113 0.504 1.00 0.00 H new ATOM 0 HG21 VAL B 55 12.691 -19.756 -2.466 1.00 0.00 H new ATOM 0 HG22 VAL B 55 11.079 -19.738 -1.712 1.00 0.00 H new ATOM 0 HG23 VAL B 55 11.402 -18.733 -3.144 1.00 0.00 H new ATOM 859 N GLY B 56 9.316 -15.959 -2.217 1.00 0.00 N ATOM 860 CA GLY B 56 8.732 -15.304 -3.369 1.00 0.00 C ATOM 861 C GLY B 56 9.080 -13.831 -3.441 1.00 0.00 C ATOM 862 O GLY B 56 9.798 -13.310 -2.586 1.00 0.00 O ATOM 0 H GLY B 56 8.684 -16.067 -1.423 1.00 0.00 H new ATOM 0 HA2 GLY B 56 9.076 -15.799 -4.277 1.00 0.00 H new ATOM 0 HA3 GLY B 56 7.648 -15.416 -3.335 1.00 0.00 H new ATOM 866 N ARG B 57 8.563 -13.158 -4.458 1.00 0.00 N ATOM 867 CA ARG B 57 8.841 -11.743 -4.670 1.00 0.00 C ATOM 868 C ARG B 57 7.613 -10.912 -4.332 1.00 0.00 C ATOM 869 O ARG B 57 6.566 -11.453 -3.974 1.00 0.00 O ATOM 870 CB ARG B 57 9.254 -11.472 -6.122 1.00 0.00 C ATOM 871 CG ARG B 57 10.589 -12.079 -6.531 1.00 0.00 C ATOM 872 CD ARG B 57 10.487 -13.575 -6.773 1.00 0.00 C ATOM 873 NE ARG B 57 11.755 -14.144 -7.218 1.00 0.00 N ATOM 874 CZ ARG B 57 11.885 -15.365 -7.731 1.00 0.00 C ATOM 875 NH1 ARG B 57 10.826 -16.158 -7.844 1.00 0.00 N ATOM 876 NH2 ARG B 57 13.076 -15.797 -8.125 1.00 0.00 N ATOM 0 H ARG B 57 7.944 -13.572 -5.155 1.00 0.00 H new ATOM 0 HA ARG B 57 9.666 -11.463 -4.015 1.00 0.00 H new ATOM 0 HB2 ARG B 57 8.478 -11.857 -6.783 1.00 0.00 H new ATOM 0 HB3 ARG B 57 9.299 -10.394 -6.277 1.00 0.00 H new ATOM 0 HG2 ARG B 57 10.947 -11.589 -7.437 1.00 0.00 H new ATOM 0 HG3 ARG B 57 11.327 -11.888 -5.752 1.00 0.00 H new ATOM 0 HD2 ARG B 57 10.170 -14.070 -5.855 1.00 0.00 H new ATOM 0 HD3 ARG B 57 9.719 -13.770 -7.522 1.00 0.00 H new ATOM 0 HE ARG B 57 12.594 -13.570 -7.130 1.00 0.00 H new ATOM 0 HH11 ARG B 57 9.910 -15.832 -7.537 1.00 0.00 H new ATOM 0 HH12 ARG B 57 10.929 -17.093 -8.238 1.00 0.00 H new ATOM 0 HH21 ARG B 57 13.893 -15.193 -8.035 1.00 0.00 H new ATOM 0 HH22 ARG B 57 13.175 -16.733 -8.518 1.00 0.00 H new ATOM 890 N TRP B 58 7.746 -9.599 -4.447 1.00 0.00 N ATOM 891 CA TRP B 58 6.639 -8.695 -4.182 1.00 0.00 C ATOM 892 C TRP B 58 5.855 -8.451 -5.461 1.00 0.00 C ATOM 893 O TRP B 58 6.375 -7.860 -6.411 1.00 0.00 O ATOM 894 CB TRP B 58 7.154 -7.360 -3.630 1.00 0.00 C ATOM 895 CG TRP B 58 7.888 -7.483 -2.329 1.00 0.00 C ATOM 896 CD1 TRP B 58 9.156 -7.953 -2.142 1.00 0.00 C ATOM 897 CD2 TRP B 58 7.400 -7.119 -1.031 1.00 0.00 C ATOM 898 NE1 TRP B 58 9.486 -7.905 -0.810 1.00 0.00 N ATOM 899 CE2 TRP B 58 8.425 -7.399 -0.107 1.00 0.00 C ATOM 900 CE3 TRP B 58 6.197 -6.586 -0.562 1.00 0.00 C ATOM 901 CZ2 TRP B 58 8.282 -7.164 1.258 1.00 0.00 C ATOM 902 CZ3 TRP B 58 6.056 -6.354 0.793 1.00 0.00 C ATOM 903 CH2 TRP B 58 7.094 -6.642 1.688 1.00 0.00 C ATOM 0 H TRP B 58 8.612 -9.136 -4.723 1.00 0.00 H new ATOM 0 HA TRP B 58 5.987 -9.153 -3.438 1.00 0.00 H new ATOM 0 HB2 TRP B 58 7.815 -6.904 -4.367 1.00 0.00 H new ATOM 0 HB3 TRP B 58 6.310 -6.683 -3.497 1.00 0.00 H new ATOM 0 HD1 TRP B 58 9.805 -8.311 -2.928 1.00 0.00 H new ATOM 0 HE1 TRP B 58 10.377 -8.199 -0.409 1.00 0.00 H new ATOM 0 HE3 TRP B 58 5.392 -6.359 -1.246 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 9.080 -7.386 1.951 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 5.130 -5.944 1.168 1.00 0.00 H new ATOM 0 HH2 TRP B 58 6.953 -6.447 2.741 1.00 0.00 H new ATOM 914 N LYS B 59 4.610 -8.902 -5.489 1.00 0.00 N ATOM 915 CA LYS B 59 3.768 -8.730 -6.664 1.00 0.00 C ATOM 916 C LYS B 59 3.222 -7.311 -6.702 1.00 0.00 C ATOM 917 O LYS B 59 3.126 -6.657 -5.668 1.00 0.00 O ATOM 918 CB LYS B 59 2.621 -9.739 -6.662 1.00 0.00 C ATOM 919 CG LYS B 59 3.073 -11.177 -6.476 1.00 0.00 C ATOM 920 CD LYS B 59 1.927 -12.151 -6.687 1.00 0.00 C ATOM 921 CE LYS B 59 2.332 -13.571 -6.335 1.00 0.00 C ATOM 922 NZ LYS B 59 1.293 -14.554 -6.731 1.00 0.00 N ATOM 0 H LYS B 59 4.161 -9.389 -4.713 1.00 0.00 H new ATOM 0 HA LYS B 59 4.372 -8.905 -7.554 1.00 0.00 H new ATOM 0 HB2 LYS B 59 1.923 -9.481 -5.865 1.00 0.00 H new ATOM 0 HB3 LYS B 59 2.076 -9.658 -7.602 1.00 0.00 H new ATOM 0 HG2 LYS B 59 3.876 -11.401 -7.178 1.00 0.00 H new ATOM 0 HG3 LYS B 59 3.481 -11.305 -5.473 1.00 0.00 H new ATOM 0 HD2 LYS B 59 1.076 -11.852 -6.075 1.00 0.00 H new ATOM 0 HD3 LYS B 59 1.601 -12.111 -7.726 1.00 0.00 H new ATOM 0 HE2 LYS B 59 3.271 -13.815 -6.831 1.00 0.00 H new ATOM 0 HE3 LYS B 59 2.510 -13.643 -5.262 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 1.606 -15.512 -6.474 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 0.403 -14.336 -6.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 1.141 -14.503 -7.759 1.00 0.00 H new ATOM 936 N GLU B 60 2.866 -6.835 -7.888 1.00 0.00 N ATOM 937 CA GLU B 60 2.437 -5.453 -8.043 1.00 0.00 C ATOM 938 C GLU B 60 1.048 -5.359 -8.655 1.00 0.00 C ATOM 939 O GLU B 60 0.778 -5.938 -9.709 1.00 0.00 O ATOM 940 CB GLU B 60 3.422 -4.683 -8.921 1.00 0.00 C ATOM 941 CG GLU B 60 4.830 -4.625 -8.359 1.00 0.00 C ATOM 942 CD GLU B 60 5.748 -3.769 -9.200 1.00 0.00 C ATOM 943 OE1 GLU B 60 5.820 -2.550 -8.952 1.00 0.00 O ATOM 944 OE2 GLU B 60 6.407 -4.311 -10.110 1.00 0.00 O ATOM 0 H GLU B 60 2.866 -7.381 -8.750 1.00 0.00 H new ATOM 0 HA GLU B 60 2.407 -5.013 -7.046 1.00 0.00 H new ATOM 0 HB2 GLU B 60 3.454 -5.146 -9.907 1.00 0.00 H new ATOM 0 HB3 GLU B 60 3.054 -3.666 -9.058 1.00 0.00 H new ATOM 0 HG2 GLU B 60 4.798 -4.230 -7.344 1.00 0.00 H new ATOM 0 HG3 GLU B 60 5.235 -5.635 -8.295 1.00 0.00 H new ATOM 951 N ALA B 61 0.175 -4.626 -7.990 1.00 0.00 N ATOM 952 CA ALA B 61 -1.125 -4.285 -8.540 1.00 0.00 C ATOM 953 C ALA B 61 -1.277 -2.771 -8.579 1.00 0.00 C ATOM 954 O ALA B 61 -1.053 -2.097 -7.575 1.00 0.00 O ATOM 955 CB ALA B 61 -2.238 -4.915 -7.717 1.00 0.00 C ATOM 0 H ALA B 61 0.345 -4.251 -7.057 1.00 0.00 H new ATOM 0 HA ALA B 61 -1.197 -4.677 -9.554 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -3.204 -4.647 -8.146 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -2.126 -5.999 -7.723 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -2.183 -4.551 -6.691 1.00 0.00 H new ATOM 961 N THR B 62 -1.632 -2.236 -9.736 1.00 0.00 N ATOM 962 CA THR B 62 -1.757 -0.796 -9.893 1.00 0.00 C ATOM 963 C THR B 62 -3.223 -0.370 -9.852 1.00 0.00 C ATOM 964 O THR B 62 -4.023 -0.768 -10.699 1.00 0.00 O ATOM 965 CB THR B 62 -1.115 -0.328 -11.212 1.00 0.00 C ATOM 966 OG1 THR B 62 0.213 -0.859 -11.314 1.00 0.00 O ATOM 967 CG2 THR B 62 -1.062 1.191 -11.285 1.00 0.00 C ATOM 0 H THR B 62 -1.838 -2.775 -10.577 1.00 0.00 H new ATOM 0 HA THR B 62 -1.231 -0.327 -9.062 1.00 0.00 H new ATOM 0 HB THR B 62 -1.725 -0.691 -12.039 1.00 0.00 H new ATOM 0 HG1 THR B 62 0.620 -0.562 -12.154 1.00 0.00 H new ATOM 0 HG21 THR B 62 -0.604 1.494 -12.227 1.00 0.00 H new ATOM 0 HG22 THR B 62 -2.073 1.594 -11.227 1.00 0.00 H new ATOM 0 HG23 THR B 62 -0.471 1.575 -10.454 1.00 0.00 H new ATOM 975 N ILE B 63 -3.570 0.423 -8.851 1.00 0.00 N ATOM 976 CA ILE B 63 -4.934 0.897 -8.677 1.00 0.00 C ATOM 977 C ILE B 63 -5.009 2.397 -8.949 1.00 0.00 C ATOM 978 O ILE B 63 -4.220 3.166 -8.403 1.00 0.00 O ATOM 979 CB ILE B 63 -5.461 0.628 -7.239 1.00 0.00 C ATOM 980 CG1 ILE B 63 -5.388 -0.862 -6.884 1.00 0.00 C ATOM 981 CG2 ILE B 63 -6.891 1.130 -7.087 1.00 0.00 C ATOM 982 CD1 ILE B 63 -4.043 -1.305 -6.343 1.00 0.00 C ATOM 0 H ILE B 63 -2.918 0.755 -8.140 1.00 0.00 H new ATOM 0 HA ILE B 63 -5.556 0.350 -9.386 1.00 0.00 H new ATOM 0 HB ILE B 63 -4.818 1.174 -6.548 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -6.157 -1.086 -6.144 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.621 -1.448 -7.773 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -7.240 0.932 -6.074 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -6.922 2.203 -7.278 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -7.535 0.615 -7.800 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -4.075 -2.371 -6.117 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -3.271 -1.115 -7.088 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.815 -0.748 -5.434 1.00 0.00 H new ATOM 994 N PRO B 64 -5.931 2.826 -9.827 1.00 0.00 N ATOM 995 CA PRO B 64 -6.199 4.248 -10.058 1.00 0.00 C ATOM 996 C PRO B 64 -6.444 4.992 -8.745 1.00 0.00 C ATOM 997 O PRO B 64 -7.097 4.464 -7.837 1.00 0.00 O ATOM 998 CB PRO B 64 -7.464 4.235 -10.915 1.00 0.00 C ATOM 999 CG PRO B 64 -7.431 2.924 -11.621 1.00 0.00 C ATOM 1000 CD PRO B 64 -6.763 1.958 -10.680 1.00 0.00 C ATOM 0 HA PRO B 64 -5.361 4.760 -10.532 1.00 0.00 H new ATOM 0 HB2 PRO B 64 -8.359 4.331 -10.301 1.00 0.00 H new ATOM 0 HB3 PRO B 64 -7.472 5.065 -11.622 1.00 0.00 H new ATOM 0 HG2 PRO B 64 -8.438 2.591 -11.871 1.00 0.00 H new ATOM 0 HG3 PRO B 64 -6.879 3.000 -12.558 1.00 0.00 H new ATOM 0 HD2 PRO B 64 -7.493 1.400 -10.093 1.00 0.00 H new ATOM 0 HD3 PRO B 64 -6.160 1.227 -11.218 1.00 0.00 H new ATOM 1008 N GLY B 65 -5.942 6.221 -8.659 1.00 0.00 N ATOM 1009 CA GLY B 65 -5.963 6.962 -7.406 1.00 0.00 C ATOM 1010 C GLY B 65 -7.326 7.533 -7.054 1.00 0.00 C ATOM 1011 O GLY B 65 -7.443 8.713 -6.726 1.00 0.00 O ATOM 0 H GLY B 65 -5.518 6.721 -9.440 1.00 0.00 H new ATOM 0 HA2 GLY B 65 -5.636 6.305 -6.600 1.00 0.00 H new ATOM 0 HA3 GLY B 65 -5.242 7.777 -7.465 1.00 0.00 H new ATOM 1015 N HIS B 66 -8.352 6.693 -7.116 1.00 0.00 N ATOM 1016 CA HIS B 66 -9.713 7.108 -6.783 1.00 0.00 C ATOM 1017 C HIS B 66 -10.629 5.898 -6.627 1.00 0.00 C ATOM 1018 O HIS B 66 -11.844 5.996 -6.810 1.00 0.00 O ATOM 1019 CB HIS B 66 -10.272 8.074 -7.841 1.00 0.00 C ATOM 1020 CG HIS B 66 -10.035 7.650 -9.259 1.00 0.00 C ATOM 1021 ND1 HIS B 66 -9.159 8.307 -10.098 1.00 0.00 N ATOM 1022 CD2 HIS B 66 -10.558 6.636 -9.985 1.00 0.00 C ATOM 1023 CE1 HIS B 66 -9.157 7.717 -11.276 1.00 0.00 C ATOM 1024 NE2 HIS B 66 -9.995 6.701 -11.234 1.00 0.00 N ATOM 0 H HIS B 66 -8.268 5.715 -7.395 1.00 0.00 H new ATOM 0 HA HIS B 66 -9.675 7.634 -5.829 1.00 0.00 H new ATOM 0 HB2 HIS B 66 -11.345 8.184 -7.683 1.00 0.00 H new ATOM 0 HB3 HIS B 66 -9.825 9.056 -7.690 1.00 0.00 H new ATOM 0 HD2 HIS B 66 -11.283 5.911 -9.645 1.00 0.00 H new ATOM 0 HE1 HIS B 66 -8.568 8.015 -12.131 1.00 0.00 H new ATOM 0 HE2 HIS B 66 -10.193 6.065 -12.006 1.00 0.00 H new ATOM 1033 N LEU B 67 -10.042 4.756 -6.301 1.00 0.00 N ATOM 1034 CA LEU B 67 -10.819 3.544 -6.064 1.00 0.00 C ATOM 1035 C LEU B 67 -10.694 3.122 -4.608 1.00 0.00 C ATOM 1036 O LEU B 67 -11.677 2.764 -3.957 1.00 0.00 O ATOM 1037 CB LEU B 67 -10.363 2.402 -6.979 1.00 0.00 C ATOM 1038 CG LEU B 67 -10.496 2.668 -8.481 1.00 0.00 C ATOM 1039 CD1 LEU B 67 -10.136 1.427 -9.277 1.00 0.00 C ATOM 1040 CD2 LEU B 67 -11.903 3.126 -8.825 1.00 0.00 C ATOM 0 H LEU B 67 -9.034 4.641 -6.194 1.00 0.00 H new ATOM 0 HA LEU B 67 -11.862 3.763 -6.290 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -9.319 2.178 -6.758 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -10.940 1.510 -6.733 1.00 0.00 H new ATOM 0 HG LEU B 67 -9.801 3.464 -8.747 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -10.237 1.636 -10.342 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -9.107 1.141 -9.059 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -10.805 0.612 -9.002 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -11.974 3.309 -9.897 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -12.617 2.353 -8.541 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -12.129 4.045 -8.284 1.00 0.00 H new ATOM 1052 N ASN B 68 -9.451 3.161 -4.125 1.00 0.00 N ATOM 1053 CA ASN B 68 -9.135 3.004 -2.702 1.00 0.00 C ATOM 1054 C ASN B 68 -9.530 1.633 -2.178 1.00 0.00 C ATOM 1055 O ASN B 68 -9.684 1.438 -0.971 1.00 0.00 O ATOM 1056 CB ASN B 68 -9.805 4.108 -1.880 1.00 0.00 C ATOM 1057 CG ASN B 68 -9.233 5.479 -2.188 1.00 0.00 C ATOM 1058 OD1 ASN B 68 -8.731 5.726 -3.285 1.00 0.00 O ATOM 1059 ND2 ASN B 68 -9.308 6.382 -1.227 1.00 0.00 N ATOM 0 H ASN B 68 -8.630 3.303 -4.713 1.00 0.00 H new ATOM 0 HA ASN B 68 -8.054 3.091 -2.597 1.00 0.00 H new ATOM 0 HB2 ASN B 68 -10.876 4.109 -2.082 1.00 0.00 H new ATOM 0 HB3 ASN B 68 -9.681 3.894 -0.818 1.00 0.00 H new ATOM 0 HD21 ASN B 68 -8.943 7.322 -1.381 1.00 0.00 H new ATOM 0 HD22 ASN B 68 -9.731 6.139 -0.331 1.00 0.00 H new ATOM 1066 N SER B 69 -9.658 0.686 -3.091 1.00 0.00 N ATOM 1067 CA SER B 69 -10.063 -0.663 -2.756 1.00 0.00 C ATOM 1068 C SER B 69 -9.655 -1.616 -3.870 1.00 0.00 C ATOM 1069 O SER B 69 -9.824 -1.305 -5.049 1.00 0.00 O ATOM 1070 CB SER B 69 -11.576 -0.702 -2.533 1.00 0.00 C ATOM 1071 OG SER B 69 -12.253 0.041 -3.534 1.00 0.00 O ATOM 0 H SER B 69 -9.483 0.833 -4.085 1.00 0.00 H new ATOM 0 HA SER B 69 -9.567 -0.978 -1.838 1.00 0.00 H new ATOM 0 HB2 SER B 69 -11.923 -1.735 -2.544 1.00 0.00 H new ATOM 0 HB3 SER B 69 -11.814 -0.296 -1.550 1.00 0.00 H new ATOM 0 HG SER B 69 -12.033 0.991 -3.441 1.00 0.00 H new ATOM 1077 N TYR B 70 -9.088 -2.753 -3.504 1.00 0.00 N ATOM 1078 CA TYR B 70 -8.656 -3.730 -4.488 1.00 0.00 C ATOM 1079 C TYR B 70 -8.886 -5.147 -3.979 1.00 0.00 C ATOM 1080 O TYR B 70 -8.679 -5.435 -2.801 1.00 0.00 O ATOM 1081 CB TYR B 70 -7.174 -3.522 -4.827 1.00 0.00 C ATOM 1082 CG TYR B 70 -6.656 -4.467 -5.889 1.00 0.00 C ATOM 1083 CD1 TYR B 70 -6.999 -4.301 -7.224 1.00 0.00 C ATOM 1084 CD2 TYR B 70 -5.826 -5.525 -5.552 1.00 0.00 C ATOM 1085 CE1 TYR B 70 -6.531 -5.168 -8.194 1.00 0.00 C ATOM 1086 CE2 TYR B 70 -5.353 -6.395 -6.514 1.00 0.00 C ATOM 1087 CZ TYR B 70 -5.708 -6.212 -7.833 1.00 0.00 C ATOM 1088 OH TYR B 70 -5.243 -7.085 -8.793 1.00 0.00 O ATOM 0 H TYR B 70 -8.917 -3.022 -2.535 1.00 0.00 H new ATOM 0 HA TYR B 70 -9.248 -3.590 -5.393 1.00 0.00 H new ATOM 0 HB2 TYR B 70 -7.028 -2.496 -5.164 1.00 0.00 H new ATOM 0 HB3 TYR B 70 -6.582 -3.648 -3.921 1.00 0.00 H new ATOM 0 HD1 TYR B 70 -7.642 -3.481 -7.509 1.00 0.00 H new ATOM 0 HD2 TYR B 70 -5.545 -5.671 -4.520 1.00 0.00 H new ATOM 0 HE1 TYR B 70 -6.809 -5.028 -9.228 1.00 0.00 H new ATOM 0 HE2 TYR B 70 -4.708 -7.215 -6.234 1.00 0.00 H new ATOM 0 HH TYR B 70 -4.674 -7.763 -8.371 1.00 0.00 H new ATOM 1098 N THR B 71 -9.333 -6.021 -4.866 1.00 0.00 N ATOM 1099 CA THR B 71 -9.485 -7.424 -4.539 1.00 0.00 C ATOM 1100 C THR B 71 -8.256 -8.205 -4.997 1.00 0.00 C ATOM 1101 O THR B 71 -8.081 -8.466 -6.191 1.00 0.00 O ATOM 1102 CB THR B 71 -10.749 -8.022 -5.189 1.00 0.00 C ATOM 1103 OG1 THR B 71 -11.910 -7.303 -4.751 1.00 0.00 O ATOM 1104 CG2 THR B 71 -10.900 -9.496 -4.833 1.00 0.00 C ATOM 0 H THR B 71 -9.597 -5.779 -5.821 1.00 0.00 H new ATOM 0 HA THR B 71 -9.588 -7.503 -3.457 1.00 0.00 H new ATOM 0 HB THR B 71 -10.649 -7.934 -6.271 1.00 0.00 H new ATOM 0 HG1 THR B 71 -12.709 -7.687 -5.169 1.00 0.00 H new ATOM 0 HG21 THR B 71 -11.799 -9.894 -5.304 1.00 0.00 H new ATOM 0 HG22 THR B 71 -10.030 -10.047 -5.189 1.00 0.00 H new ATOM 0 HG23 THR B 71 -10.979 -9.603 -3.751 1.00 0.00 H new ATOM 1112 N ILE B 72 -7.397 -8.554 -4.051 1.00 0.00 N ATOM 1113 CA ILE B 72 -6.196 -9.316 -4.362 1.00 0.00 C ATOM 1114 C ILE B 72 -6.546 -10.785 -4.513 1.00 0.00 C ATOM 1115 O ILE B 72 -7.073 -11.398 -3.583 1.00 0.00 O ATOM 1116 CB ILE B 72 -5.117 -9.188 -3.268 1.00 0.00 C ATOM 1117 CG1 ILE B 72 -4.877 -7.725 -2.890 1.00 0.00 C ATOM 1118 CG2 ILE B 72 -3.819 -9.828 -3.741 1.00 0.00 C ATOM 1119 CD1 ILE B 72 -3.878 -7.556 -1.766 1.00 0.00 C ATOM 0 H ILE B 72 -7.508 -8.323 -3.064 1.00 0.00 H new ATOM 0 HA ILE B 72 -5.795 -8.909 -5.290 1.00 0.00 H new ATOM 0 HB ILE B 72 -5.473 -9.709 -2.379 1.00 0.00 H new ATOM 0 HG12 ILE B 72 -4.523 -7.183 -3.767 1.00 0.00 H new ATOM 0 HG13 ILE B 72 -5.824 -7.272 -2.597 1.00 0.00 H new ATOM 0 HG21 ILE B 72 -3.062 -9.733 -2.963 1.00 0.00 H new ATOM 0 HG22 ILE B 72 -3.990 -10.883 -3.954 1.00 0.00 H new ATOM 0 HG23 ILE B 72 -3.474 -9.326 -4.645 1.00 0.00 H new ATOM 0 HD11 ILE B 72 -3.753 -6.496 -1.547 1.00 0.00 H new ATOM 0 HD12 ILE B 72 -4.241 -8.070 -0.876 1.00 0.00 H new ATOM 0 HD13 ILE B 72 -2.919 -7.980 -2.064 1.00 0.00 H new ATOM 1131 N LYS B 73 -6.267 -11.346 -5.675 1.00 0.00 N ATOM 1132 CA LYS B 73 -6.540 -12.750 -5.918 1.00 0.00 C ATOM 1133 C LYS B 73 -5.239 -13.535 -5.969 1.00 0.00 C ATOM 1134 O LYS B 73 -4.162 -12.962 -6.163 1.00 0.00 O ATOM 1135 CB LYS B 73 -7.334 -12.934 -7.214 1.00 0.00 C ATOM 1136 CG LYS B 73 -8.705 -12.279 -7.179 1.00 0.00 C ATOM 1137 CD LYS B 73 -9.513 -12.602 -8.424 1.00 0.00 C ATOM 1138 CE LYS B 73 -10.879 -11.936 -8.387 1.00 0.00 C ATOM 1139 NZ LYS B 73 -11.713 -12.303 -9.562 1.00 0.00 N ATOM 0 H LYS B 73 -5.852 -10.851 -6.465 1.00 0.00 H new ATOM 0 HA LYS B 73 -7.146 -13.132 -5.096 1.00 0.00 H new ATOM 0 HB2 LYS B 73 -6.762 -12.519 -8.044 1.00 0.00 H new ATOM 0 HB3 LYS B 73 -7.453 -14.000 -7.410 1.00 0.00 H new ATOM 0 HG2 LYS B 73 -9.247 -12.616 -6.296 1.00 0.00 H new ATOM 0 HG3 LYS B 73 -8.590 -11.199 -7.090 1.00 0.00 H new ATOM 0 HD2 LYS B 73 -8.969 -12.271 -9.309 1.00 0.00 H new ATOM 0 HD3 LYS B 73 -9.635 -13.682 -8.510 1.00 0.00 H new ATOM 0 HE2 LYS B 73 -11.397 -12.223 -7.472 1.00 0.00 H new ATOM 0 HE3 LYS B 73 -10.753 -10.854 -8.356 1.00 0.00 H new ATOM 0 HZ1 LYS B 73 -12.635 -11.827 -9.496 1.00 0.00 H new ATOM 0 HZ2 LYS B 73 -11.232 -12.006 -10.435 1.00 0.00 H new ATOM 0 HZ3 LYS B 73 -11.856 -13.333 -9.578 1.00 0.00 H new ATOM 1153 N GLY B 74 -5.337 -14.839 -5.777 1.00 0.00 N ATOM 1154 CA GLY B 74 -4.161 -15.677 -5.781 1.00 0.00 C ATOM 1155 C GLY B 74 -3.464 -15.677 -4.438 1.00 0.00 C ATOM 1156 O GLY B 74 -2.268 -15.958 -4.350 1.00 0.00 O ATOM 0 H GLY B 74 -6.215 -15.334 -5.618 1.00 0.00 H new ATOM 0 HA2 GLY B 74 -4.443 -16.697 -6.044 1.00 0.00 H new ATOM 0 HA3 GLY B 74 -3.470 -15.329 -6.549 1.00 0.00 H new ATOM 1160 N LEU B 75 -4.203 -15.335 -3.394 1.00 0.00 N ATOM 1161 CA LEU B 75 -3.669 -15.358 -2.041 1.00 0.00 C ATOM 1162 C LEU B 75 -3.917 -16.724 -1.419 1.00 0.00 C ATOM 1163 O LEU B 75 -5.057 -17.169 -1.323 1.00 0.00 O ATOM 1164 CB LEU B 75 -4.313 -14.263 -1.187 1.00 0.00 C ATOM 1165 CG LEU B 75 -3.970 -12.822 -1.583 1.00 0.00 C ATOM 1166 CD1 LEU B 75 -4.719 -11.848 -0.698 1.00 0.00 C ATOM 1167 CD2 LEU B 75 -2.471 -12.578 -1.490 1.00 0.00 C ATOM 0 H LEU B 75 -5.177 -15.038 -3.458 1.00 0.00 H new ATOM 0 HA LEU B 75 -2.596 -15.170 -2.082 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -5.395 -14.384 -1.230 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -4.016 -14.415 -0.149 1.00 0.00 H new ATOM 0 HG LEU B 75 -4.275 -12.666 -2.618 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -4.469 -10.827 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -5.792 -12.005 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -4.436 -12.010 0.342 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -2.251 -11.549 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -2.137 -12.750 -0.467 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -1.949 -13.260 -2.161 1.00 0.00 H new ATOM 1179 N LYS B 76 -2.850 -17.383 -1.002 1.00 0.00 N ATOM 1180 CA LYS B 76 -2.942 -18.748 -0.506 1.00 0.00 C ATOM 1181 C LYS B 76 -3.308 -18.780 0.976 1.00 0.00 C ATOM 1182 O LYS B 76 -2.689 -18.097 1.791 1.00 0.00 O ATOM 1183 CB LYS B 76 -1.614 -19.469 -0.732 1.00 0.00 C ATOM 1184 CG LYS B 76 -1.205 -19.550 -2.195 1.00 0.00 C ATOM 1185 CD LYS B 76 0.175 -20.167 -2.360 1.00 0.00 C ATOM 1186 CE LYS B 76 0.236 -21.569 -1.775 1.00 0.00 C ATOM 1187 NZ LYS B 76 1.561 -22.204 -1.986 1.00 0.00 N ATOM 0 H LYS B 76 -1.907 -16.995 -0.996 1.00 0.00 H new ATOM 0 HA LYS B 76 -3.733 -19.257 -1.057 1.00 0.00 H new ATOM 0 HB2 LYS B 76 -0.832 -18.955 -0.173 1.00 0.00 H new ATOM 0 HB3 LYS B 76 -1.685 -20.478 -0.327 1.00 0.00 H new ATOM 0 HG2 LYS B 76 -1.936 -20.142 -2.745 1.00 0.00 H new ATOM 0 HG3 LYS B 76 -1.211 -18.551 -2.630 1.00 0.00 H new ATOM 0 HD2 LYS B 76 0.434 -20.202 -3.418 1.00 0.00 H new ATOM 0 HD3 LYS B 76 0.917 -19.536 -1.871 1.00 0.00 H new ATOM 0 HE2 LYS B 76 0.021 -21.526 -0.707 1.00 0.00 H new ATOM 0 HE3 LYS B 76 -0.538 -22.186 -2.231 1.00 0.00 H new ATOM 0 HZ1 LYS B 76 1.559 -23.158 -1.572 1.00 0.00 H new ATOM 0 HZ2 LYS B 76 1.756 -22.270 -3.005 1.00 0.00 H new ATOM 0 HZ3 LYS B 76 2.298 -21.630 -1.529 1.00 0.00 H new ATOM 1201 N PRO B 77 -4.321 -19.582 1.341 1.00 0.00 N ATOM 1202 CA PRO B 77 -4.758 -19.722 2.732 1.00 0.00 C ATOM 1203 C PRO B 77 -3.697 -20.394 3.596 1.00 0.00 C ATOM 1204 O PRO B 77 -3.140 -21.432 3.227 1.00 0.00 O ATOM 1205 CB PRO B 77 -6.012 -20.596 2.634 1.00 0.00 C ATOM 1206 CG PRO B 77 -5.869 -21.333 1.348 1.00 0.00 C ATOM 1207 CD PRO B 77 -5.122 -20.414 0.424 1.00 0.00 C ATOM 0 HA PRO B 77 -4.943 -18.757 3.203 1.00 0.00 H new ATOM 0 HB2 PRO B 77 -6.081 -21.283 3.477 1.00 0.00 H new ATOM 0 HB3 PRO B 77 -6.918 -19.989 2.643 1.00 0.00 H new ATOM 0 HG2 PRO B 77 -5.326 -22.267 1.492 1.00 0.00 H new ATOM 0 HG3 PRO B 77 -6.844 -21.592 0.936 1.00 0.00 H new ATOM 0 HD2 PRO B 77 -4.491 -20.969 -0.270 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -5.801 -19.809 -0.177 1.00 0.00 H new ATOM 1215 N GLY B 78 -3.410 -19.792 4.741 1.00 0.00 N ATOM 1216 CA GLY B 78 -2.385 -20.314 5.621 1.00 0.00 C ATOM 1217 C GLY B 78 -1.041 -19.662 5.371 1.00 0.00 C ATOM 1218 O GLY B 78 -0.114 -19.799 6.170 1.00 0.00 O ATOM 0 H GLY B 78 -3.872 -18.947 5.078 1.00 0.00 H new ATOM 0 HA2 GLY B 78 -2.680 -20.152 6.658 1.00 0.00 H new ATOM 0 HA3 GLY B 78 -2.298 -21.391 5.479 1.00 0.00 H new ATOM 1222 N VAL B 79 -0.938 -18.949 4.260 1.00 0.00 N ATOM 1223 CA VAL B 79 0.286 -18.254 3.908 1.00 0.00 C ATOM 1224 C VAL B 79 0.229 -16.816 4.396 1.00 0.00 C ATOM 1225 O VAL B 79 -0.735 -16.097 4.137 1.00 0.00 O ATOM 1226 CB VAL B 79 0.533 -18.276 2.382 1.00 0.00 C ATOM 1227 CG1 VAL B 79 1.776 -17.487 2.010 1.00 0.00 C ATOM 1228 CG2 VAL B 79 0.666 -19.702 1.884 1.00 0.00 C ATOM 0 H VAL B 79 -1.694 -18.838 3.584 1.00 0.00 H new ATOM 0 HA VAL B 79 1.113 -18.773 4.393 1.00 0.00 H new ATOM 0 HB VAL B 79 -0.328 -17.807 1.905 1.00 0.00 H new ATOM 0 HG11 VAL B 79 1.920 -17.523 0.930 1.00 0.00 H new ATOM 0 HG12 VAL B 79 1.657 -16.451 2.326 1.00 0.00 H new ATOM 0 HG13 VAL B 79 2.644 -17.920 2.507 1.00 0.00 H new ATOM 0 HG21 VAL B 79 0.839 -19.697 0.808 1.00 0.00 H new ATOM 0 HG22 VAL B 79 1.505 -20.185 2.384 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -0.251 -20.250 2.101 1.00 0.00 H new ATOM 1238 N VAL B 80 1.256 -16.409 5.121 1.00 0.00 N ATOM 1239 CA VAL B 80 1.342 -15.050 5.619 1.00 0.00 C ATOM 1240 C VAL B 80 1.825 -14.129 4.507 1.00 0.00 C ATOM 1241 O VAL B 80 2.778 -14.451 3.803 1.00 0.00 O ATOM 1242 CB VAL B 80 2.303 -14.953 6.825 1.00 0.00 C ATOM 1243 CG1 VAL B 80 2.361 -13.533 7.371 1.00 0.00 C ATOM 1244 CG2 VAL B 80 1.891 -15.932 7.914 1.00 0.00 C ATOM 0 H VAL B 80 2.044 -17.004 5.378 1.00 0.00 H new ATOM 0 HA VAL B 80 0.349 -14.746 5.950 1.00 0.00 H new ATOM 0 HB VAL B 80 3.303 -15.218 6.481 1.00 0.00 H new ATOM 0 HG11 VAL B 80 3.045 -13.497 8.219 1.00 0.00 H new ATOM 0 HG12 VAL B 80 2.713 -12.858 6.591 1.00 0.00 H new ATOM 0 HG13 VAL B 80 1.366 -13.227 7.694 1.00 0.00 H new ATOM 0 HG21 VAL B 80 2.579 -15.850 8.756 1.00 0.00 H new ATOM 0 HG22 VAL B 80 0.880 -15.700 8.248 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.919 -16.948 7.520 1.00 0.00 H new ATOM 1254 N TYR B 81 1.157 -13.003 4.328 1.00 0.00 N ATOM 1255 CA TYR B 81 1.551 -12.048 3.307 1.00 0.00 C ATOM 1256 C TYR B 81 1.896 -10.700 3.922 1.00 0.00 C ATOM 1257 O TYR B 81 1.205 -10.214 4.821 1.00 0.00 O ATOM 1258 CB TYR B 81 0.442 -11.872 2.269 1.00 0.00 C ATOM 1259 CG TYR B 81 0.265 -13.050 1.338 1.00 0.00 C ATOM 1260 CD1 TYR B 81 1.030 -13.162 0.184 1.00 0.00 C ATOM 1261 CD2 TYR B 81 -0.672 -14.040 1.602 1.00 0.00 C ATOM 1262 CE1 TYR B 81 0.865 -14.227 -0.680 1.00 0.00 C ATOM 1263 CE2 TYR B 81 -0.841 -15.111 0.744 1.00 0.00 C ATOM 1264 CZ TYR B 81 -0.071 -15.199 -0.397 1.00 0.00 C ATOM 1265 OH TYR B 81 -0.239 -16.259 -1.258 1.00 0.00 O ATOM 0 H TYR B 81 0.341 -12.728 4.875 1.00 0.00 H new ATOM 0 HA TYR B 81 2.438 -12.444 2.813 1.00 0.00 H new ATOM 0 HB2 TYR B 81 -0.499 -11.690 2.788 1.00 0.00 H new ATOM 0 HB3 TYR B 81 0.655 -10.984 1.675 1.00 0.00 H new ATOM 0 HD1 TYR B 81 1.766 -12.404 -0.041 1.00 0.00 H new ATOM 0 HD2 TYR B 81 -1.279 -13.972 2.493 1.00 0.00 H new ATOM 0 HE1 TYR B 81 1.467 -14.298 -1.574 1.00 0.00 H new ATOM 0 HE2 TYR B 81 -1.572 -15.874 0.966 1.00 0.00 H new ATOM 0 HH TYR B 81 0.097 -17.078 -0.838 1.00 0.00 H new ATOM 1275 N GLU B 82 2.973 -10.109 3.435 1.00 0.00 N ATOM 1276 CA GLU B 82 3.358 -8.767 3.830 1.00 0.00 C ATOM 1277 C GLU B 82 2.991 -7.811 2.710 1.00 0.00 C ATOM 1278 O GLU B 82 3.390 -8.017 1.564 1.00 0.00 O ATOM 1279 CB GLU B 82 4.862 -8.697 4.104 1.00 0.00 C ATOM 1280 CG GLU B 82 5.351 -9.746 5.089 1.00 0.00 C ATOM 1281 CD GLU B 82 6.842 -9.667 5.336 1.00 0.00 C ATOM 1282 OE1 GLU B 82 7.245 -9.497 6.508 1.00 0.00 O ATOM 1283 OE2 GLU B 82 7.621 -9.782 4.368 1.00 0.00 O ATOM 0 H GLU B 82 3.601 -10.543 2.759 1.00 0.00 H new ATOM 0 HA GLU B 82 2.834 -8.492 4.746 1.00 0.00 H new ATOM 0 HB2 GLU B 82 5.400 -8.815 3.163 1.00 0.00 H new ATOM 0 HB3 GLU B 82 5.107 -7.707 4.489 1.00 0.00 H new ATOM 0 HG2 GLU B 82 4.823 -9.624 6.035 1.00 0.00 H new ATOM 0 HG3 GLU B 82 5.102 -10.737 4.711 1.00 0.00 H new ATOM 1290 N GLY B 83 2.218 -6.788 3.026 1.00 0.00 N ATOM 1291 CA GLY B 83 1.738 -5.896 1.996 1.00 0.00 C ATOM 1292 C GLY B 83 2.191 -4.474 2.191 1.00 0.00 C ATOM 1293 O GLY B 83 2.502 -4.049 3.306 1.00 0.00 O ATOM 0 H GLY B 83 1.915 -6.559 3.973 1.00 0.00 H new ATOM 0 HA2 GLY B 83 2.083 -6.252 1.025 1.00 0.00 H new ATOM 0 HA3 GLY B 83 0.649 -5.925 1.977 1.00 0.00 H new ATOM 1297 N GLN B 84 2.235 -3.745 1.094 1.00 0.00 N ATOM 1298 CA GLN B 84 2.662 -2.363 1.097 1.00 0.00 C ATOM 1299 C GLN B 84 1.832 -1.554 0.112 1.00 0.00 C ATOM 1300 O GLN B 84 1.784 -1.870 -1.079 1.00 0.00 O ATOM 1301 CB GLN B 84 4.143 -2.275 0.729 1.00 0.00 C ATOM 1302 CG GLN B 84 5.060 -2.910 1.768 1.00 0.00 C ATOM 1303 CD GLN B 84 6.531 -2.850 1.399 1.00 0.00 C ATOM 1304 OE1 GLN B 84 7.389 -2.686 2.266 1.00 0.00 O ATOM 1305 NE2 GLN B 84 6.840 -3.052 0.129 1.00 0.00 N ATOM 0 H GLN B 84 1.974 -4.097 0.173 1.00 0.00 H new ATOM 0 HA GLN B 84 2.518 -1.952 2.096 1.00 0.00 H new ATOM 0 HB2 GLN B 84 4.301 -2.764 -0.232 1.00 0.00 H new ATOM 0 HB3 GLN B 84 4.418 -1.228 0.603 1.00 0.00 H new ATOM 0 HG2 GLN B 84 4.913 -2.408 2.725 1.00 0.00 H new ATOM 0 HG3 GLN B 84 4.771 -3.952 1.907 1.00 0.00 H new ATOM 0 HE21 GLN B 84 6.101 -3.184 -0.561 1.00 0.00 H new ATOM 0 HE22 GLN B 84 7.818 -3.076 -0.160 1.00 0.00 H new ATOM 1314 N LEU B 85 1.164 -0.532 0.619 1.00 0.00 N ATOM 1315 CA LEU B 85 0.393 0.369 -0.218 1.00 0.00 C ATOM 1316 C LEU B 85 1.251 1.577 -0.555 1.00 0.00 C ATOM 1317 O LEU B 85 1.572 2.389 0.315 1.00 0.00 O ATOM 1318 CB LEU B 85 -0.904 0.789 0.498 1.00 0.00 C ATOM 1319 CG LEU B 85 -1.948 1.541 -0.351 1.00 0.00 C ATOM 1320 CD1 LEU B 85 -1.546 2.990 -0.573 1.00 0.00 C ATOM 1321 CD2 LEU B 85 -2.155 0.846 -1.689 1.00 0.00 C ATOM 0 H LEU B 85 1.141 -0.305 1.613 1.00 0.00 H new ATOM 0 HA LEU B 85 0.107 -0.135 -1.142 1.00 0.00 H new ATOM 0 HB2 LEU B 85 -1.375 -0.107 0.903 1.00 0.00 H new ATOM 0 HB3 LEU B 85 -0.636 1.419 1.346 1.00 0.00 H new ATOM 0 HG LEU B 85 -2.887 1.531 0.202 1.00 0.00 H new ATOM 0 HD11 LEU B 85 -2.305 3.490 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU B 85 -1.456 3.494 0.389 1.00 0.00 H new ATOM 0 HD13 LEU B 85 -0.588 3.026 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU B 85 -2.896 1.393 -2.272 1.00 0.00 H new ATOM 0 HD22 LEU B 85 -1.212 0.818 -2.234 1.00 0.00 H new ATOM 0 HD23 LEU B 85 -2.506 -0.172 -1.520 1.00 0.00 H new ATOM 1333 N ILE B 86 1.642 1.673 -1.809 1.00 0.00 N ATOM 1334 CA ILE B 86 2.507 2.746 -2.259 1.00 0.00 C ATOM 1335 C ILE B 86 1.691 3.809 -2.984 1.00 0.00 C ATOM 1336 O ILE B 86 1.177 3.571 -4.080 1.00 0.00 O ATOM 1337 CB ILE B 86 3.599 2.202 -3.198 1.00 0.00 C ATOM 1338 CG1 ILE B 86 4.235 0.951 -2.586 1.00 0.00 C ATOM 1339 CG2 ILE B 86 4.658 3.268 -3.453 1.00 0.00 C ATOM 1340 CD1 ILE B 86 5.029 0.125 -3.570 1.00 0.00 C ATOM 0 H ILE B 86 1.372 1.015 -2.541 1.00 0.00 H new ATOM 0 HA ILE B 86 2.983 3.192 -1.386 1.00 0.00 H new ATOM 0 HB ILE B 86 3.145 1.935 -4.152 1.00 0.00 H new ATOM 0 HG12 ILE B 86 4.889 1.251 -1.767 1.00 0.00 H new ATOM 0 HG13 ILE B 86 3.450 0.330 -2.155 1.00 0.00 H new ATOM 0 HG21 ILE B 86 5.423 2.869 -4.119 1.00 0.00 H new ATOM 0 HG22 ILE B 86 4.194 4.139 -3.915 1.00 0.00 H new ATOM 0 HG23 ILE B 86 5.116 3.560 -2.508 1.00 0.00 H new ATOM 0 HD11 ILE B 86 5.448 -0.743 -3.061 1.00 0.00 H new ATOM 0 HD12 ILE B 86 4.376 -0.207 -4.377 1.00 0.00 H new ATOM 0 HD13 ILE B 86 5.837 0.729 -3.983 1.00 0.00 H new ATOM 1352 N SER B 87 1.560 4.971 -2.368 1.00 0.00 N ATOM 1353 CA SER B 87 0.782 6.047 -2.944 1.00 0.00 C ATOM 1354 C SER B 87 1.667 6.954 -3.789 1.00 0.00 C ATOM 1355 O SER B 87 2.500 7.694 -3.259 1.00 0.00 O ATOM 1356 CB SER B 87 0.090 6.841 -1.834 1.00 0.00 C ATOM 1357 OG SER B 87 0.997 7.167 -0.796 1.00 0.00 O ATOM 0 H SER B 87 1.985 5.191 -1.467 1.00 0.00 H new ATOM 0 HA SER B 87 0.018 5.622 -3.596 1.00 0.00 H new ATOM 0 HB2 SER B 87 -0.336 7.755 -2.248 1.00 0.00 H new ATOM 0 HB3 SER B 87 -0.737 6.259 -1.428 1.00 0.00 H new ATOM 0 HG SER B 87 1.052 8.141 -0.704 1.00 0.00 H new ATOM 1363 N ILE B 88 1.508 6.865 -5.101 1.00 0.00 N ATOM 1364 CA ILE B 88 2.241 7.723 -6.015 1.00 0.00 C ATOM 1365 C ILE B 88 1.498 9.039 -6.169 1.00 0.00 C ATOM 1366 O ILE B 88 0.441 9.098 -6.799 1.00 0.00 O ATOM 1367 CB ILE B 88 2.415 7.068 -7.400 1.00 0.00 C ATOM 1368 CG1 ILE B 88 3.025 5.670 -7.258 1.00 0.00 C ATOM 1369 CG2 ILE B 88 3.280 7.944 -8.299 1.00 0.00 C ATOM 1370 CD1 ILE B 88 4.402 5.655 -6.634 1.00 0.00 C ATOM 0 H ILE B 88 0.876 6.206 -5.556 1.00 0.00 H new ATOM 0 HA ILE B 88 3.234 7.891 -5.598 1.00 0.00 H new ATOM 0 HB ILE B 88 1.433 6.968 -7.862 1.00 0.00 H new ATOM 0 HG12 ILE B 88 2.358 5.054 -6.654 1.00 0.00 H new ATOM 0 HG13 ILE B 88 3.080 5.208 -8.244 1.00 0.00 H new ATOM 0 HG21 ILE B 88 3.393 7.467 -9.273 1.00 0.00 H new ATOM 0 HG22 ILE B 88 2.805 8.917 -8.425 1.00 0.00 H new ATOM 0 HG23 ILE B 88 4.262 8.075 -7.844 1.00 0.00 H new ATOM 0 HD11 ILE B 88 4.761 4.628 -6.570 1.00 0.00 H new ATOM 0 HD12 ILE B 88 5.086 6.241 -7.248 1.00 0.00 H new ATOM 0 HD13 ILE B 88 4.353 6.085 -5.634 1.00 0.00 H new ATOM 1382 N GLN B 89 2.044 10.083 -5.576 1.00 0.00 N ATOM 1383 CA GLN B 89 1.372 11.369 -5.527 1.00 0.00 C ATOM 1384 C GLN B 89 1.582 12.170 -6.809 1.00 0.00 C ATOM 1385 O GLN B 89 2.310 11.736 -7.703 1.00 0.00 O ATOM 1386 CB GLN B 89 1.870 12.152 -4.317 1.00 0.00 C ATOM 1387 CG GLN B 89 1.642 11.429 -2.999 1.00 0.00 C ATOM 1388 CD GLN B 89 2.402 12.056 -1.848 1.00 0.00 C ATOM 1389 OE1 GLN B 89 2.789 11.374 -0.897 1.00 0.00 O ATOM 1390 NE2 GLN B 89 2.639 13.354 -1.924 1.00 0.00 N ATOM 0 H GLN B 89 2.956 10.066 -5.119 1.00 0.00 H new ATOM 0 HA GLN B 89 0.300 11.193 -5.434 1.00 0.00 H new ATOM 0 HB2 GLN B 89 2.935 12.351 -4.435 1.00 0.00 H new ATOM 0 HB3 GLN B 89 1.367 13.118 -4.286 1.00 0.00 H new ATOM 0 HG2 GLN B 89 0.577 11.430 -2.769 1.00 0.00 H new ATOM 0 HG3 GLN B 89 1.945 10.387 -3.104 1.00 0.00 H new ATOM 0 HE21 GLN B 89 2.304 13.888 -2.726 1.00 0.00 H new ATOM 0 HE22 GLN B 89 3.157 13.822 -1.181 1.00 0.00 H new ATOM 1399 N GLN B 90 0.952 13.340 -6.886 1.00 0.00 N ATOM 1400 CA GLN B 90 0.937 14.141 -8.113 1.00 0.00 C ATOM 1401 C GLN B 90 2.339 14.452 -8.626 1.00 0.00 C ATOM 1402 O GLN B 90 2.617 14.301 -9.815 1.00 0.00 O ATOM 1403 CB GLN B 90 0.182 15.451 -7.884 1.00 0.00 C ATOM 1404 CG GLN B 90 -1.279 15.256 -7.521 1.00 0.00 C ATOM 1405 CD GLN B 90 -2.029 16.566 -7.369 1.00 0.00 C ATOM 1406 OE1 GLN B 90 -3.231 16.634 -7.617 1.00 0.00 O ATOM 1407 NE2 GLN B 90 -1.328 17.614 -6.963 1.00 0.00 N ATOM 0 H GLN B 90 0.441 13.759 -6.109 1.00 0.00 H new ATOM 0 HA GLN B 90 0.430 13.543 -8.870 1.00 0.00 H new ATOM 0 HB2 GLN B 90 0.674 16.010 -7.088 1.00 0.00 H new ATOM 0 HB3 GLN B 90 0.245 16.059 -8.786 1.00 0.00 H new ATOM 0 HG2 GLN B 90 -1.762 14.654 -8.290 1.00 0.00 H new ATOM 0 HG3 GLN B 90 -1.345 14.695 -6.589 1.00 0.00 H new ATOM 0 HE21 GLN B 90 -0.332 17.516 -6.767 1.00 0.00 H new ATOM 0 HE22 GLN B 90 -1.784 18.519 -6.846 1.00 0.00 H new ATOM 1416 N TYR B 91 3.228 14.862 -7.731 1.00 0.00 N ATOM 1417 CA TYR B 91 4.573 15.257 -8.131 1.00 0.00 C ATOM 1418 C TYR B 91 5.500 14.049 -8.202 1.00 0.00 C ATOM 1419 O TYR B 91 6.697 14.183 -8.449 1.00 0.00 O ATOM 1420 CB TYR B 91 5.137 16.310 -7.174 1.00 0.00 C ATOM 1421 CG TYR B 91 4.328 17.589 -7.145 1.00 0.00 C ATOM 1422 CD1 TYR B 91 3.432 17.848 -6.118 1.00 0.00 C ATOM 1423 CD2 TYR B 91 4.459 18.533 -8.155 1.00 0.00 C ATOM 1424 CE1 TYR B 91 2.688 19.011 -6.097 1.00 0.00 C ATOM 1425 CE2 TYR B 91 3.722 19.699 -8.141 1.00 0.00 C ATOM 1426 CZ TYR B 91 2.838 19.934 -7.112 1.00 0.00 C ATOM 1427 OH TYR B 91 2.101 21.098 -7.098 1.00 0.00 O ATOM 0 H TYR B 91 3.045 14.930 -6.730 1.00 0.00 H new ATOM 0 HA TYR B 91 4.510 15.695 -9.127 1.00 0.00 H new ATOM 0 HB2 TYR B 91 5.178 15.892 -6.168 1.00 0.00 H new ATOM 0 HB3 TYR B 91 6.161 16.543 -7.464 1.00 0.00 H new ATOM 0 HD1 TYR B 91 3.314 17.128 -5.322 1.00 0.00 H new ATOM 0 HD2 TYR B 91 5.150 18.351 -8.965 1.00 0.00 H new ATOM 0 HE1 TYR B 91 1.993 19.197 -5.291 1.00 0.00 H new ATOM 0 HE2 TYR B 91 3.838 20.424 -8.933 1.00 0.00 H new ATOM 0 HH TYR B 91 2.328 21.638 -7.884 1.00 0.00 H new ATOM 1437 N GLY B 92 4.938 12.867 -7.994 1.00 0.00 N ATOM 1438 CA GLY B 92 5.712 11.649 -8.102 1.00 0.00 C ATOM 1439 C GLY B 92 6.261 11.180 -6.774 1.00 0.00 C ATOM 1440 O GLY B 92 7.060 10.246 -6.727 1.00 0.00 O ATOM 0 H GLY B 92 3.957 12.730 -7.752 1.00 0.00 H new ATOM 0 HA2 GLY B 92 5.087 10.864 -8.528 1.00 0.00 H new ATOM 0 HA3 GLY B 92 6.538 11.810 -8.794 1.00 0.00 H new ATOM 1444 N HIS B 93 5.840 11.826 -5.692 1.00 0.00 N ATOM 1445 CA HIS B 93 6.280 11.433 -4.360 1.00 0.00 C ATOM 1446 C HIS B 93 5.749 10.046 -4.027 1.00 0.00 C ATOM 1447 O HIS B 93 4.538 9.824 -4.015 1.00 0.00 O ATOM 1448 CB HIS B 93 5.804 12.442 -3.307 1.00 0.00 C ATOM 1449 CG HIS B 93 6.325 12.164 -1.924 1.00 0.00 C ATOM 1450 ND1 HIS B 93 5.536 11.672 -0.906 1.00 0.00 N ATOM 1451 CD2 HIS B 93 7.562 12.316 -1.396 1.00 0.00 C ATOM 1452 CE1 HIS B 93 6.265 11.538 0.186 1.00 0.00 C ATOM 1453 NE2 HIS B 93 7.498 11.920 -0.082 1.00 0.00 N ATOM 0 H HIS B 93 5.199 12.619 -5.711 1.00 0.00 H new ATOM 0 HA HIS B 93 7.370 11.415 -4.350 1.00 0.00 H new ATOM 0 HB2 HIS B 93 6.115 13.442 -3.608 1.00 0.00 H new ATOM 0 HB3 HIS B 93 4.714 12.441 -3.282 1.00 0.00 H new ATOM 0 HD1 HIS B 93 4.544 11.447 -0.985 1.00 0.00 H new ATOM 0 HD2 HIS B 93 8.438 12.681 -1.912 1.00 0.00 H new ATOM 0 HE1 HIS B 93 5.911 11.176 1.140 1.00 0.00 H new ATOM 1462 N GLN B 94 6.656 9.116 -3.775 1.00 0.00 N ATOM 1463 CA GLN B 94 6.275 7.764 -3.406 1.00 0.00 C ATOM 1464 C GLN B 94 6.196 7.644 -1.894 1.00 0.00 C ATOM 1465 O GLN B 94 7.172 7.912 -1.192 1.00 0.00 O ATOM 1466 CB GLN B 94 7.284 6.746 -3.944 1.00 0.00 C ATOM 1467 CG GLN B 94 7.494 6.814 -5.448 1.00 0.00 C ATOM 1468 CD GLN B 94 8.391 5.703 -5.955 1.00 0.00 C ATOM 1469 OE1 GLN B 94 9.613 5.847 -6.007 1.00 0.00 O ATOM 1470 NE2 GLN B 94 7.791 4.589 -6.346 1.00 0.00 N ATOM 0 H GLN B 94 7.663 9.274 -3.820 1.00 0.00 H new ATOM 0 HA GLN B 94 5.299 7.554 -3.844 1.00 0.00 H new ATOM 0 HB2 GLN B 94 8.241 6.902 -3.447 1.00 0.00 H new ATOM 0 HB3 GLN B 94 6.948 5.743 -3.680 1.00 0.00 H new ATOM 0 HG2 GLN B 94 6.528 6.756 -5.950 1.00 0.00 H new ATOM 0 HG3 GLN B 94 7.931 7.778 -5.708 1.00 0.00 H new ATOM 0 HE21 GLN B 94 6.776 4.509 -6.287 1.00 0.00 H new ATOM 0 HE22 GLN B 94 8.344 3.811 -6.706 1.00 0.00 H new ATOM 1479 N GLU B 95 5.039 7.263 -1.391 1.00 0.00 N ATOM 1480 CA GLU B 95 4.878 7.038 0.032 1.00 0.00 C ATOM 1481 C GLU B 95 4.349 5.632 0.260 1.00 0.00 C ATOM 1482 O GLU B 95 3.400 5.210 -0.397 1.00 0.00 O ATOM 1483 CB GLU B 95 3.940 8.079 0.639 1.00 0.00 C ATOM 1484 CG GLU B 95 4.109 8.234 2.142 1.00 0.00 C ATOM 1485 CD GLU B 95 5.530 8.549 2.550 1.00 0.00 C ATOM 1486 OE1 GLU B 95 6.324 7.603 2.723 1.00 0.00 O ATOM 1487 OE2 GLU B 95 5.853 9.741 2.725 1.00 0.00 O ATOM 0 H GLU B 95 4.198 7.103 -1.945 1.00 0.00 H new ATOM 0 HA GLU B 95 5.845 7.138 0.525 1.00 0.00 H new ATOM 0 HB2 GLU B 95 4.117 9.042 0.159 1.00 0.00 H new ATOM 0 HB3 GLU B 95 2.909 7.799 0.423 1.00 0.00 H new ATOM 0 HG2 GLU B 95 3.451 9.028 2.495 1.00 0.00 H new ATOM 0 HG3 GLU B 95 3.791 7.315 2.634 1.00 0.00 H new ATOM 1494 N VAL B 96 4.971 4.903 1.168 1.00 0.00 N ATOM 1495 CA VAL B 96 4.645 3.496 1.350 1.00 0.00 C ATOM 1496 C VAL B 96 4.053 3.232 2.728 1.00 0.00 C ATOM 1497 O VAL B 96 4.694 3.479 3.752 1.00 0.00 O ATOM 1498 CB VAL B 96 5.890 2.606 1.155 1.00 0.00 C ATOM 1499 CG1 VAL B 96 5.518 1.133 1.207 1.00 0.00 C ATOM 1500 CG2 VAL B 96 6.595 2.938 -0.154 1.00 0.00 C ATOM 0 H VAL B 96 5.700 5.256 1.788 1.00 0.00 H new ATOM 0 HA VAL B 96 3.901 3.246 0.593 1.00 0.00 H new ATOM 0 HB VAL B 96 6.580 2.810 1.974 1.00 0.00 H new ATOM 0 HG11 VAL B 96 6.413 0.527 1.067 1.00 0.00 H new ATOM 0 HG12 VAL B 96 5.072 0.904 2.175 1.00 0.00 H new ATOM 0 HG13 VAL B 96 4.802 0.911 0.416 1.00 0.00 H new ATOM 0 HG21 VAL B 96 7.469 2.298 -0.269 1.00 0.00 H new ATOM 0 HG22 VAL B 96 5.912 2.773 -0.987 1.00 0.00 H new ATOM 0 HG23 VAL B 96 6.909 3.982 -0.144 1.00 0.00 H new ATOM 1510 N THR B 97 2.822 2.747 2.749 1.00 0.00 N ATOM 1511 CA THR B 97 2.199 2.308 3.983 1.00 0.00 C ATOM 1512 C THR B 97 2.259 0.788 4.075 1.00 0.00 C ATOM 1513 O THR B 97 1.657 0.081 3.264 1.00 0.00 O ATOM 1514 CB THR B 97 0.737 2.783 4.082 1.00 0.00 C ATOM 1515 OG1 THR B 97 0.664 4.195 3.844 1.00 0.00 O ATOM 1516 CG2 THR B 97 0.162 2.470 5.456 1.00 0.00 C ATOM 0 H THR B 97 2.234 2.648 1.921 1.00 0.00 H new ATOM 0 HA THR B 97 2.749 2.750 4.814 1.00 0.00 H new ATOM 0 HB THR B 97 0.153 2.255 3.328 1.00 0.00 H new ATOM 0 HG1 THR B 97 -0.225 4.523 4.094 1.00 0.00 H new ATOM 0 HG21 THR B 97 -0.871 2.814 5.505 1.00 0.00 H new ATOM 0 HG22 THR B 97 0.195 1.394 5.628 1.00 0.00 H new ATOM 0 HG23 THR B 97 0.750 2.978 6.221 1.00 0.00 H new ATOM 1524 N ARG B 98 2.996 0.294 5.052 1.00 0.00 N ATOM 1525 CA ARG B 98 3.243 -1.132 5.174 1.00 0.00 C ATOM 1526 C ARG B 98 2.248 -1.771 6.135 1.00 0.00 C ATOM 1527 O ARG B 98 1.967 -1.227 7.204 1.00 0.00 O ATOM 1528 CB ARG B 98 4.678 -1.362 5.647 1.00 0.00 C ATOM 1529 CG ARG B 98 5.714 -0.693 4.753 1.00 0.00 C ATOM 1530 CD ARG B 98 7.125 -0.903 5.266 1.00 0.00 C ATOM 1531 NE ARG B 98 7.350 -0.231 6.542 1.00 0.00 N ATOM 1532 CZ ARG B 98 8.130 -0.715 7.506 1.00 0.00 C ATOM 1533 NH1 ARG B 98 8.748 -1.880 7.343 1.00 0.00 N ATOM 1534 NH2 ARG B 98 8.287 -0.039 8.636 1.00 0.00 N ATOM 0 H ARG B 98 3.436 0.862 5.776 1.00 0.00 H new ATOM 0 HA ARG B 98 3.111 -1.601 4.199 1.00 0.00 H new ATOM 0 HB2 ARG B 98 4.785 -0.983 6.664 1.00 0.00 H new ATOM 0 HB3 ARG B 98 4.875 -2.433 5.684 1.00 0.00 H new ATOM 0 HG2 ARG B 98 5.632 -1.092 3.742 1.00 0.00 H new ATOM 0 HG3 ARG B 98 5.505 0.375 4.692 1.00 0.00 H new ATOM 0 HD2 ARG B 98 7.314 -1.970 5.380 1.00 0.00 H new ATOM 0 HD3 ARG B 98 7.837 -0.531 4.530 1.00 0.00 H new ATOM 0 HE ARG B 98 6.883 0.661 6.704 1.00 0.00 H new ATOM 0 HH11 ARG B 98 8.625 -2.406 6.478 1.00 0.00 H new ATOM 0 HH12 ARG B 98 9.345 -2.249 8.083 1.00 0.00 H new ATOM 0 HH21 ARG B 98 7.810 0.853 8.767 1.00 0.00 H new ATOM 0 HH22 ARG B 98 8.885 -0.411 9.374 1.00 0.00 H new ATOM 1548 N PHE B 99 1.704 -2.912 5.738 1.00 0.00 N ATOM 1549 CA PHE B 99 0.723 -3.621 6.548 1.00 0.00 C ATOM 1550 C PHE B 99 0.898 -5.128 6.394 1.00 0.00 C ATOM 1551 O PHE B 99 1.577 -5.591 5.477 1.00 0.00 O ATOM 1552 CB PHE B 99 -0.703 -3.201 6.161 1.00 0.00 C ATOM 1553 CG PHE B 99 -1.088 -3.517 4.738 1.00 0.00 C ATOM 1554 CD1 PHE B 99 -0.635 -2.733 3.690 1.00 0.00 C ATOM 1555 CD2 PHE B 99 -1.917 -4.592 4.454 1.00 0.00 C ATOM 1556 CE1 PHE B 99 -0.997 -3.015 2.386 1.00 0.00 C ATOM 1557 CE2 PHE B 99 -2.282 -4.879 3.153 1.00 0.00 C ATOM 1558 CZ PHE B 99 -1.821 -4.090 2.118 1.00 0.00 C ATOM 0 H PHE B 99 1.927 -3.369 4.854 1.00 0.00 H new ATOM 0 HA PHE B 99 0.884 -3.359 7.594 1.00 0.00 H new ATOM 0 HB2 PHE B 99 -1.407 -3.694 6.832 1.00 0.00 H new ATOM 0 HB3 PHE B 99 -0.807 -2.128 6.322 1.00 0.00 H new ATOM 0 HD1 PHE B 99 0.009 -1.891 3.894 1.00 0.00 H new ATOM 0 HD2 PHE B 99 -2.282 -5.212 5.260 1.00 0.00 H new ATOM 0 HE1 PHE B 99 -0.636 -2.396 1.578 1.00 0.00 H new ATOM 0 HE2 PHE B 99 -2.927 -5.720 2.946 1.00 0.00 H new ATOM 0 HZ PHE B 99 -2.105 -4.313 1.100 1.00 0.00 H new ATOM 1568 N ASP B 100 0.297 -5.891 7.290 1.00 0.00 N ATOM 1569 CA ASP B 100 0.414 -7.346 7.254 1.00 0.00 C ATOM 1570 C ASP B 100 -0.967 -7.958 7.168 1.00 0.00 C ATOM 1571 O ASP B 100 -1.899 -7.477 7.814 1.00 0.00 O ATOM 1572 CB ASP B 100 1.125 -7.884 8.503 1.00 0.00 C ATOM 1573 CG ASP B 100 2.544 -7.379 8.649 1.00 0.00 C ATOM 1574 OD1 ASP B 100 2.759 -6.424 9.423 1.00 0.00 O ATOM 1575 OD2 ASP B 100 3.456 -7.938 8.003 1.00 0.00 O ATOM 0 H ASP B 100 -0.277 -5.532 8.052 1.00 0.00 H new ATOM 0 HA ASP B 100 1.006 -7.616 6.380 1.00 0.00 H new ATOM 0 HB2 ASP B 100 0.554 -7.602 9.387 1.00 0.00 H new ATOM 0 HB3 ASP B 100 1.137 -8.973 8.465 1.00 0.00 H new ATOM 1580 N PHE B 101 -1.112 -9.011 6.377 1.00 0.00 N ATOM 1581 CA PHE B 101 -2.411 -9.640 6.217 1.00 0.00 C ATOM 1582 C PHE B 101 -2.290 -11.136 5.969 1.00 0.00 C ATOM 1583 O PHE B 101 -1.344 -11.610 5.338 1.00 0.00 O ATOM 1584 CB PHE B 101 -3.206 -8.970 5.087 1.00 0.00 C ATOM 1585 CG PHE B 101 -2.584 -9.078 3.720 1.00 0.00 C ATOM 1586 CD1 PHE B 101 -1.544 -8.242 3.346 1.00 0.00 C ATOM 1587 CD2 PHE B 101 -3.055 -10.003 2.802 1.00 0.00 C ATOM 1588 CE1 PHE B 101 -0.986 -8.327 2.085 1.00 0.00 C ATOM 1589 CE2 PHE B 101 -2.499 -10.093 1.542 1.00 0.00 C ATOM 1590 CZ PHE B 101 -1.464 -9.254 1.183 1.00 0.00 C ATOM 0 H PHE B 101 -0.357 -9.442 5.844 1.00 0.00 H new ATOM 0 HA PHE B 101 -2.953 -9.505 7.153 1.00 0.00 H new ATOM 0 HB2 PHE B 101 -4.202 -9.412 5.052 1.00 0.00 H new ATOM 0 HB3 PHE B 101 -3.334 -7.915 5.329 1.00 0.00 H new ATOM 0 HD1 PHE B 101 -1.165 -7.515 4.049 1.00 0.00 H new ATOM 0 HD2 PHE B 101 -3.866 -10.661 3.076 1.00 0.00 H new ATOM 0 HE1 PHE B 101 -0.177 -7.668 1.806 1.00 0.00 H new ATOM 0 HE2 PHE B 101 -2.874 -10.820 0.837 1.00 0.00 H new ATOM 0 HZ PHE B 101 -1.029 -9.323 0.197 1.00 0.00 H new ATOM 1600 N THR B 102 -3.246 -11.873 6.510 1.00 0.00 N ATOM 1601 CA THR B 102 -3.348 -13.309 6.304 1.00 0.00 C ATOM 1602 C THR B 102 -4.797 -13.734 6.508 1.00 0.00 C ATOM 1603 O THR B 102 -5.393 -14.408 5.669 1.00 0.00 O ATOM 1604 CB THR B 102 -2.444 -14.088 7.283 1.00 0.00 C ATOM 1605 OG1 THR B 102 -1.107 -13.576 7.224 1.00 0.00 O ATOM 1606 CG2 THR B 102 -2.433 -15.573 6.952 1.00 0.00 C ATOM 0 H THR B 102 -3.978 -11.490 7.108 1.00 0.00 H new ATOM 0 HA THR B 102 -3.019 -13.536 5.290 1.00 0.00 H new ATOM 0 HB THR B 102 -2.844 -13.960 8.289 1.00 0.00 H new ATOM 0 HG1 THR B 102 -0.730 -13.540 8.128 1.00 0.00 H new ATOM 0 HG21 THR B 102 -1.789 -16.098 7.657 1.00 0.00 H new ATOM 0 HG22 THR B 102 -3.446 -15.969 7.022 1.00 0.00 H new ATOM 0 HG23 THR B 102 -2.056 -15.717 5.939 1.00 0.00 H new ATOM 1614 N THR B 103 -5.355 -13.309 7.632 1.00 0.00 N ATOM 1615 CA THR B 103 -6.750 -13.545 7.949 1.00 0.00 C ATOM 1616 C THR B 103 -7.325 -12.332 8.672 1.00 0.00 C ATOM 1617 O THR B 103 -6.773 -11.876 9.675 1.00 0.00 O ATOM 1618 CB THR B 103 -6.918 -14.807 8.818 1.00 0.00 C ATOM 1619 OG1 THR B 103 -5.787 -14.957 9.689 1.00 0.00 O ATOM 1620 CG2 THR B 103 -7.074 -16.049 7.954 1.00 0.00 C ATOM 0 H THR B 103 -4.849 -12.790 8.350 1.00 0.00 H new ATOM 0 HA THR B 103 -7.292 -13.704 7.017 1.00 0.00 H new ATOM 0 HB THR B 103 -7.822 -14.690 9.416 1.00 0.00 H new ATOM 0 HG1 THR B 103 -5.902 -15.760 10.239 1.00 0.00 H new ATOM 0 HG21 THR B 103 -7.191 -16.924 8.593 1.00 0.00 H new ATOM 0 HG22 THR B 103 -7.954 -15.943 7.320 1.00 0.00 H new ATOM 0 HG23 THR B 103 -6.189 -16.171 7.329 1.00 0.00 H new ATOM 1628 N THR B 104 -8.421 -11.797 8.144 1.00 0.00 N ATOM 1629 CA THR B 104 -9.020 -10.588 8.693 1.00 0.00 C ATOM 1630 C THR B 104 -9.665 -10.878 10.047 1.00 0.00 C ATOM 1631 O THR B 104 -9.842 -9.979 10.873 1.00 0.00 O ATOM 1632 CB THR B 104 -10.062 -9.983 7.718 1.00 0.00 C ATOM 1633 OG1 THR B 104 -10.545 -8.728 8.213 1.00 0.00 O ATOM 1634 CG2 THR B 104 -11.235 -10.928 7.502 1.00 0.00 C ATOM 0 H THR B 104 -8.912 -12.182 7.337 1.00 0.00 H new ATOM 0 HA THR B 104 -8.225 -9.856 8.832 1.00 0.00 H new ATOM 0 HB THR B 104 -9.562 -9.827 6.762 1.00 0.00 H new ATOM 0 HG1 THR B 104 -10.287 -8.012 7.596 1.00 0.00 H new ATOM 0 HG21 THR B 104 -11.947 -10.473 6.813 1.00 0.00 H new ATOM 0 HG22 THR B 104 -10.873 -11.867 7.082 1.00 0.00 H new ATOM 0 HG23 THR B 104 -11.726 -11.122 8.456 1.00 0.00 H new ATOM 1642 N SER B 105 -9.994 -12.144 10.272 1.00 0.00 N ATOM 1643 CA SER B 105 -10.543 -12.577 11.541 1.00 0.00 C ATOM 1644 C SER B 105 -9.402 -13.028 12.450 1.00 0.00 C ATOM 1645 O SER B 105 -9.064 -14.214 12.515 1.00 0.00 O ATOM 1646 CB SER B 105 -11.553 -13.708 11.327 1.00 0.00 C ATOM 1647 OG SER B 105 -12.342 -13.919 12.487 1.00 0.00 O ATOM 0 H SER B 105 -9.887 -12.890 9.584 1.00 0.00 H new ATOM 0 HA SER B 105 -11.069 -11.748 12.015 1.00 0.00 H new ATOM 0 HB2 SER B 105 -12.200 -13.467 10.483 1.00 0.00 H new ATOM 0 HB3 SER B 105 -11.025 -14.627 11.071 1.00 0.00 H new ATOM 0 HG SER B 105 -12.979 -14.645 12.322 1.00 0.00 H new ATOM 1653 N THR B 106 -8.797 -12.067 13.128 1.00 0.00 N ATOM 1654 CA THR B 106 -7.651 -12.332 13.980 1.00 0.00 C ATOM 1655 C THR B 106 -7.864 -11.715 15.364 1.00 0.00 C ATOM 1656 O THR B 106 -6.913 -11.296 16.032 1.00 0.00 O ATOM 1657 CB THR B 106 -6.347 -11.797 13.332 1.00 0.00 C ATOM 1658 OG1 THR B 106 -5.215 -12.062 14.171 1.00 0.00 O ATOM 1659 CG2 THR B 106 -6.441 -10.301 13.058 1.00 0.00 C ATOM 0 H THR B 106 -9.084 -11.088 13.104 1.00 0.00 H new ATOM 0 HA THR B 106 -7.549 -13.411 14.096 1.00 0.00 H new ATOM 0 HB THR B 106 -6.217 -12.318 12.383 1.00 0.00 H new ATOM 0 HG1 THR B 106 -5.449 -11.875 15.104 1.00 0.00 H new ATOM 0 HG21 THR B 106 -5.512 -9.955 12.604 1.00 0.00 H new ATOM 0 HG22 THR B 106 -7.271 -10.107 12.379 1.00 0.00 H new ATOM 0 HG23 THR B 106 -6.607 -9.769 13.995 1.00 0.00 H new ATOM 1667 N SER B 107 -9.128 -11.680 15.781 1.00 0.00 N ATOM 1668 CA SER B 107 -9.518 -11.116 17.067 1.00 0.00 C ATOM 1669 C SER B 107 -9.183 -9.627 17.102 1.00 0.00 C ATOM 1670 O SER B 107 -8.170 -9.209 17.668 1.00 0.00 O ATOM 1671 CB SER B 107 -8.832 -11.871 18.216 1.00 0.00 C ATOM 1672 OG SER B 107 -9.450 -11.599 19.463 1.00 0.00 O ATOM 0 H SER B 107 -9.909 -12.043 15.235 1.00 0.00 H new ATOM 0 HA SER B 107 -10.595 -11.228 17.196 1.00 0.00 H new ATOM 0 HB2 SER B 107 -8.865 -12.943 18.019 1.00 0.00 H new ATOM 0 HB3 SER B 107 -7.780 -11.588 18.261 1.00 0.00 H new ATOM 0 HG SER B 107 -8.990 -12.096 20.171 1.00 0.00 H new ATOM 1678 N THR B 108 -10.035 -8.833 16.469 1.00 0.00 N ATOM 1679 CA THR B 108 -9.812 -7.400 16.353 1.00 0.00 C ATOM 1680 C THR B 108 -10.869 -6.610 17.120 1.00 0.00 C ATOM 1681 O THR B 108 -11.961 -6.361 16.611 1.00 0.00 O ATOM 1682 CB THR B 108 -9.819 -6.963 14.874 1.00 0.00 C ATOM 1683 OG1 THR B 108 -10.969 -7.503 14.206 1.00 0.00 O ATOM 1684 CG2 THR B 108 -8.553 -7.419 14.167 1.00 0.00 C ATOM 0 H THR B 108 -10.893 -9.161 16.025 1.00 0.00 H new ATOM 0 HA THR B 108 -8.834 -7.188 16.786 1.00 0.00 H new ATOM 0 HB THR B 108 -9.860 -5.874 14.842 1.00 0.00 H new ATOM 0 HG1 THR B 108 -11.773 -7.310 14.732 1.00 0.00 H new ATOM 0 HG21 THR B 108 -8.582 -7.099 13.126 1.00 0.00 H new ATOM 0 HG22 THR B 108 -7.684 -6.980 14.657 1.00 0.00 H new ATOM 0 HG23 THR B 108 -8.483 -8.506 14.210 1.00 0.00 H new ATOM 1692 N PRO B 109 -10.558 -6.210 18.364 1.00 0.00 N ATOM 1693 CA PRO B 109 -11.476 -5.433 19.194 1.00 0.00 C ATOM 1694 C PRO B 109 -11.440 -3.943 18.859 1.00 0.00 C ATOM 1695 O PRO B 109 -12.221 -3.154 19.392 1.00 0.00 O ATOM 1696 CB PRO B 109 -10.948 -5.675 20.605 1.00 0.00 C ATOM 1697 CG PRO B 109 -9.482 -5.882 20.429 1.00 0.00 C ATOM 1698 CD PRO B 109 -9.293 -6.501 19.067 1.00 0.00 C ATOM 0 HA PRO B 109 -12.515 -5.730 19.051 1.00 0.00 H new ATOM 0 HB2 PRO B 109 -11.153 -4.825 21.256 1.00 0.00 H new ATOM 0 HB3 PRO B 109 -11.419 -6.546 21.060 1.00 0.00 H new ATOM 0 HG2 PRO B 109 -8.946 -4.936 20.502 1.00 0.00 H new ATOM 0 HG3 PRO B 109 -9.087 -6.533 21.208 1.00 0.00 H new ATOM 0 HD2 PRO B 109 -8.439 -6.068 18.547 1.00 0.00 H new ATOM 0 HD3 PRO B 109 -9.113 -7.574 19.138 1.00 0.00 H new ATOM 1706 N GLY B 110 -10.522 -3.567 17.980 1.00 0.00 N ATOM 1707 CA GLY B 110 -10.388 -2.180 17.595 1.00 0.00 C ATOM 1708 C GLY B 110 -8.946 -1.719 17.610 1.00 0.00 C ATOM 1709 O GLY B 110 -8.251 -1.864 18.617 1.00 0.00 O ATOM 0 H GLY B 110 -9.866 -4.202 17.526 1.00 0.00 H new ATOM 0 HA2 GLY B 110 -10.802 -2.040 16.596 1.00 0.00 H new ATOM 0 HA3 GLY B 110 -10.973 -1.558 18.273 1.00 0.00 H new ATOM 1713 N SER B 111 -8.495 -1.163 16.495 1.00 0.00 N ATOM 1714 CA SER B 111 -7.135 -0.654 16.380 1.00 0.00 C ATOM 1715 C SER B 111 -6.995 0.661 17.142 1.00 0.00 C ATOM 1716 O SER B 111 -5.894 1.190 17.308 1.00 0.00 O ATOM 1717 CB SER B 111 -6.779 -0.465 14.906 1.00 0.00 C ATOM 1718 OG SER B 111 -7.021 -1.656 14.173 1.00 0.00 O ATOM 0 H SER B 111 -9.056 -1.052 15.650 1.00 0.00 H new ATOM 0 HA SER B 111 -6.445 -1.375 16.818 1.00 0.00 H new ATOM 0 HB2 SER B 111 -7.367 0.351 14.487 1.00 0.00 H new ATOM 0 HB3 SER B 111 -5.730 -0.182 14.814 1.00 0.00 H new ATOM 0 HG SER B 111 -6.788 -1.514 13.232 1.00 0.00 H new ATOM 1724 N ARG B 112 -8.128 1.183 17.602 1.00 0.00 N ATOM 1725 CA ARG B 112 -8.152 2.369 18.447 1.00 0.00 C ATOM 1726 C ARG B 112 -7.396 2.117 19.751 1.00 0.00 C ATOM 1727 O ARG B 112 -6.839 3.040 20.342 1.00 0.00 O ATOM 1728 CB ARG B 112 -9.597 2.783 18.750 1.00 0.00 C ATOM 1729 CG ARG B 112 -10.438 1.671 19.363 1.00 0.00 C ATOM 1730 CD ARG B 112 -11.829 2.154 19.744 1.00 0.00 C ATOM 1731 NE ARG B 112 -12.599 2.616 18.591 1.00 0.00 N ATOM 1732 CZ ARG B 112 -13.908 2.870 18.621 1.00 0.00 C ATOM 1733 NH1 ARG B 112 -14.602 2.691 19.740 1.00 0.00 N ATOM 1734 NH2 ARG B 112 -14.524 3.305 17.530 1.00 0.00 N ATOM 0 H ARG B 112 -9.050 0.797 17.400 1.00 0.00 H new ATOM 0 HA ARG B 112 -7.659 3.179 17.909 1.00 0.00 H new ATOM 0 HB2 ARG B 112 -9.586 3.635 19.430 1.00 0.00 H new ATOM 0 HB3 ARG B 112 -10.071 3.118 17.827 1.00 0.00 H new ATOM 0 HG2 ARG B 112 -10.522 0.847 18.655 1.00 0.00 H new ATOM 0 HG3 ARG B 112 -9.934 1.281 20.248 1.00 0.00 H new ATOM 0 HD2 ARG B 112 -12.369 1.345 20.236 1.00 0.00 H new ATOM 0 HD3 ARG B 112 -11.743 2.965 20.467 1.00 0.00 H new ATOM 0 HE ARG B 112 -12.105 2.753 17.709 1.00 0.00 H new ATOM 0 HH11 ARG B 112 -14.134 2.358 20.583 1.00 0.00 H new ATOM 0 HH12 ARG B 112 -15.603 2.887 19.756 1.00 0.00 H new ATOM 0 HH21 ARG B 112 -13.997 3.445 16.668 1.00 0.00 H new ATOM 0 HH22 ARG B 112 -15.525 3.499 17.553 1.00 0.00 H new ATOM 1748 N SER B 113 -7.372 0.865 20.186 1.00 0.00 N ATOM 1749 CA SER B 113 -6.694 0.505 21.414 1.00 0.00 C ATOM 1750 C SER B 113 -5.246 0.133 21.123 1.00 0.00 C ATOM 1751 O SER B 113 -4.960 -0.946 20.603 1.00 0.00 O ATOM 1752 CB SER B 113 -7.414 -0.658 22.107 1.00 0.00 C ATOM 1753 OG SER B 113 -6.882 -0.898 23.400 1.00 0.00 O ATOM 0 H SER B 113 -7.816 0.084 19.703 1.00 0.00 H new ATOM 0 HA SER B 113 -6.709 1.365 22.084 1.00 0.00 H new ATOM 0 HB2 SER B 113 -8.478 -0.435 22.185 1.00 0.00 H new ATOM 0 HB3 SER B 113 -7.321 -1.559 21.500 1.00 0.00 H new ATOM 0 HG SER B 113 -7.362 -1.644 23.818 1.00 0.00 H new ATOM 1759 N HIS B 114 -4.339 1.042 21.438 1.00 0.00 N ATOM 1760 CA HIS B 114 -2.919 0.803 21.243 1.00 0.00 C ATOM 1761 C HIS B 114 -2.100 1.570 22.274 1.00 0.00 C ATOM 1762 O HIS B 114 -1.069 2.159 21.952 1.00 0.00 O ATOM 1763 CB HIS B 114 -2.483 1.161 19.809 1.00 0.00 C ATOM 1764 CG HIS B 114 -2.902 2.527 19.344 1.00 0.00 C ATOM 1765 ND1 HIS B 114 -3.920 2.731 18.436 1.00 0.00 N ATOM 1766 CD2 HIS B 114 -2.426 3.756 19.652 1.00 0.00 C ATOM 1767 CE1 HIS B 114 -4.050 4.023 18.208 1.00 0.00 C ATOM 1768 NE2 HIS B 114 -3.158 4.667 18.934 1.00 0.00 N ATOM 0 H HIS B 114 -4.562 1.956 21.832 1.00 0.00 H new ATOM 0 HA HIS B 114 -2.734 -0.262 21.385 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -1.397 1.089 19.746 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -2.892 0.418 19.124 1.00 0.00 H new ATOM 0 HD1 HIS B 114 -4.484 1.997 18.008 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -1.620 3.978 20.336 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -4.766 4.477 17.539 1.00 0.00 H new ATOM 1777 N HIS B 115 -2.573 1.561 23.516 1.00 0.00 N ATOM 1778 CA HIS B 115 -1.850 2.173 24.628 1.00 0.00 C ATOM 1779 C HIS B 115 -0.505 1.473 24.802 1.00 0.00 C ATOM 1780 O HIS B 115 -0.441 0.368 25.338 1.00 0.00 O ATOM 1781 CB HIS B 115 -2.692 2.077 25.911 1.00 0.00 C ATOM 1782 CG HIS B 115 -2.040 2.642 27.140 1.00 0.00 C ATOM 1783 ND1 HIS B 115 -2.188 3.953 27.539 1.00 0.00 N ATOM 1784 CD2 HIS B 115 -1.253 2.056 28.073 1.00 0.00 C ATOM 1785 CE1 HIS B 115 -1.519 4.149 28.660 1.00 0.00 C ATOM 1786 NE2 HIS B 115 -0.945 3.015 29.004 1.00 0.00 N ATOM 0 H HIS B 115 -3.461 1.133 23.780 1.00 0.00 H new ATOM 0 HA HIS B 115 -1.669 3.227 24.418 1.00 0.00 H new ATOM 0 HB2 HIS B 115 -3.637 2.596 25.748 1.00 0.00 H new ATOM 0 HB3 HIS B 115 -2.931 1.029 26.094 1.00 0.00 H new ATOM 0 HD2 HIS B 115 -0.928 1.026 28.082 1.00 0.00 H new ATOM 0 HE1 HIS B 115 -1.454 5.081 29.202 1.00 0.00 H new ATOM 0 HE2 HIS B 115 -0.364 2.873 29.830 1.00 0.00 H new ATOM 1795 N HIS B 116 0.557 2.117 24.317 1.00 0.00 N ATOM 1796 CA HIS B 116 1.891 1.513 24.276 1.00 0.00 C ATOM 1797 C HIS B 116 1.883 0.271 23.389 1.00 0.00 C ATOM 1798 O HIS B 116 2.657 -0.665 23.597 1.00 0.00 O ATOM 1799 CB HIS B 116 2.406 1.173 25.680 1.00 0.00 C ATOM 1800 CG HIS B 116 2.931 2.360 26.424 1.00 0.00 C ATOM 1801 ND1 HIS B 116 4.276 2.620 26.568 1.00 0.00 N ATOM 1802 CD2 HIS B 116 2.286 3.365 27.059 1.00 0.00 C ATOM 1803 CE1 HIS B 116 4.434 3.732 27.259 1.00 0.00 C ATOM 1804 NE2 HIS B 116 3.243 4.203 27.568 1.00 0.00 N ATOM 0 H HIS B 116 0.519 3.065 23.944 1.00 0.00 H new ATOM 0 HA HIS B 116 2.574 2.247 23.849 1.00 0.00 H new ATOM 0 HB2 HIS B 116 1.598 0.721 26.256 1.00 0.00 H new ATOM 0 HB3 HIS B 116 3.196 0.426 25.598 1.00 0.00 H new ATOM 0 HD2 HIS B 116 1.216 3.485 27.148 1.00 0.00 H new ATOM 0 HE1 HIS B 116 5.379 4.181 27.526 1.00 0.00 H new ATOM 0 HE2 HIS B 116 3.063 5.054 28.100 1.00 0.00 H new ATOM 1813 N HIS B 117 0.988 0.291 22.401 1.00 0.00 N ATOM 1814 CA HIS B 117 0.818 -0.800 21.442 1.00 0.00 C ATOM 1815 C HIS B 117 0.488 -2.116 22.151 1.00 0.00 C ATOM 1816 O HIS B 117 0.764 -3.198 21.633 1.00 0.00 O ATOM 1817 CB HIS B 117 2.073 -0.957 20.568 1.00 0.00 C ATOM 1818 CG HIS B 117 1.821 -1.671 19.272 1.00 0.00 C ATOM 1819 ND1 HIS B 117 2.269 -2.949 19.007 1.00 0.00 N ATOM 1820 CD2 HIS B 117 1.162 -1.271 18.160 1.00 0.00 C ATOM 1821 CE1 HIS B 117 1.896 -3.299 17.791 1.00 0.00 C ATOM 1822 NE2 HIS B 117 1.222 -2.300 17.258 1.00 0.00 N ATOM 0 H HIS B 117 0.354 1.074 22.243 1.00 0.00 H new ATOM 0 HA HIS B 117 -0.023 -0.547 20.796 1.00 0.00 H new ATOM 0 HB2 HIS B 117 2.482 0.031 20.355 1.00 0.00 H new ATOM 0 HB3 HIS B 117 2.831 -1.501 21.131 1.00 0.00 H new ATOM 0 HD2 HIS B 117 0.678 -0.317 18.011 1.00 0.00 H new ATOM 0 HE1 HIS B 117 2.107 -4.244 17.313 1.00 0.00 H new ATOM 0 HE2 HIS B 117 0.811 -2.294 16.324 1.00 0.00 H new ATOM 1831 N HIS B 118 -0.106 -2.022 23.339 1.00 0.00 N ATOM 1832 CA HIS B 118 -0.498 -3.209 24.089 1.00 0.00 C ATOM 1833 C HIS B 118 -1.574 -3.970 23.323 1.00 0.00 C ATOM 1834 O HIS B 118 -1.355 -5.105 22.903 1.00 0.00 O ATOM 1835 CB HIS B 118 -0.996 -2.829 25.488 1.00 0.00 C ATOM 1836 CG HIS B 118 -1.350 -4.007 26.347 1.00 0.00 C ATOM 1837 ND1 HIS B 118 -2.648 -4.355 26.654 1.00 0.00 N ATOM 1838 CD2 HIS B 118 -0.563 -4.918 26.967 1.00 0.00 C ATOM 1839 CE1 HIS B 118 -2.642 -5.427 27.425 1.00 0.00 C ATOM 1840 NE2 HIS B 118 -1.391 -5.787 27.629 1.00 0.00 N ATOM 0 H HIS B 118 -0.325 -1.139 23.800 1.00 0.00 H new ATOM 0 HA HIS B 118 0.373 -3.853 24.208 1.00 0.00 H new ATOM 0 HB2 HIS B 118 -0.226 -2.243 25.991 1.00 0.00 H new ATOM 0 HB3 HIS B 118 -1.871 -2.187 25.390 1.00 0.00 H new ATOM 0 HD2 HIS B 118 0.516 -4.953 26.944 1.00 0.00 H new ATOM 0 HE1 HIS B 118 -3.515 -5.925 27.821 1.00 0.00 H new ATOM 0 HE2 HIS B 118 -1.088 -6.584 28.189 1.00 0.00 H new ATOM 1849 N HIS B 119 -2.723 -3.321 23.136 1.00 0.00 N ATOM 1850 CA HIS B 119 -3.816 -3.872 22.336 1.00 0.00 C ATOM 1851 C HIS B 119 -4.265 -5.234 22.874 1.00 0.00 C ATOM 1852 O HIS B 119 -3.839 -6.271 22.329 1.00 0.00 O ATOM 1853 CB HIS B 119 -3.386 -3.977 20.867 1.00 0.00 C ATOM 1854 CG HIS B 119 -4.469 -4.431 19.938 1.00 0.00 C ATOM 1855 ND1 HIS B 119 -4.477 -5.673 19.349 1.00 0.00 N ATOM 1856 CD2 HIS B 119 -5.571 -3.793 19.483 1.00 0.00 C ATOM 1857 CE1 HIS B 119 -5.534 -5.781 18.570 1.00 0.00 C ATOM 1858 NE2 HIS B 119 -6.218 -4.652 18.632 1.00 0.00 N ATOM 1859 OXT HIS B 119 -5.047 -5.257 23.850 1.00 0.00 O ATOM 0 H HIS B 119 -2.922 -2.403 23.533 1.00 0.00 H new ATOM 0 HA HIS B 119 -4.669 -3.197 22.405 1.00 0.00 H new ATOM 0 HB2 HIS B 119 -3.024 -3.003 20.536 1.00 0.00 H new ATOM 0 HB3 HIS B 119 -2.548 -4.670 20.795 1.00 0.00 H new ATOM 0 HD1 HIS B 119 -3.774 -6.398 19.493 1.00 0.00 H new ATOM 0 HD2 HIS B 119 -5.884 -2.792 19.742 1.00 0.00 H new ATOM 0 HE1 HIS B 119 -5.797 -6.647 17.980 1.00 0.00 H new TER 1868 HIS B 119