USER MOD reduce.3.24.130724 H: found=0, std=0, add=1171, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1188 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 120 HIS : no HE2:sc= -2.88 X(o=-3.7,f=-3.6!) USER MOD Set 1.2: A 124 HIS : no HD1:sc= -0.159 K(o=-3.7,f=-6.3) USER MOD Set 1.3: A 130 HIS : no HD1:sc= -0.676 X(o=-3.7,f=-3.4) USER MOD Set 2.1: A 113 ASN : amide:sc= 0.593 K(o=1.3,f=-14!) USER MOD Set 2.2: A 148 GLN : amide:sc= 0.71 K(o=1.3,f=-14) USER MOD Set 3.1: A 69 HIS : no HD1:sc= -0.885 X(o=-0.92,f=-0.67) USER MOD Set 3.2: A 84 HIS : no HD1:sc= -0.742 X(o=-0.92,f=-0.85) USER MOD Set 3.3: A 97 HIS : no HD1:sc= 0.711 K(o=-0.92,f=-4.4!) USER MOD Set 4.1: A 80 ASN : amide:sc= -0.315 X(o=-0.31,f=-0.64) USER MOD Set 4.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -125:sc= 1.37 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -86:sc= 1.66 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -175:sc= 1.43 USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0169 USER MOD Single : A 23 THR OG1 : rot 137:sc= 0.926 USER MOD Single : A 28 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.25) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.664 X(o=-0.66,f=-0.68) USER MOD Single : A 41 MET CE :methyl 175:sc= -1.77 (180deg=-1.84) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= 0.931 K(o=0.93,f=-3.1!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 81:sc= 0.985 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 16:sc= 0.165 USER MOD Single : A 105 THR OG1 : rot 150:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= -0.0646 USER MOD Single : A 119 THR OG1 : rot 155:sc= 1.43 USER MOD Single : A 125 SER OG : rot -73:sc= 1.26 USER MOD Single : A 128 MET CE :methyl -166:sc= -2.46 (180deg=-3.01) USER MOD Single : A 131 SER OG : rot 180:sc= 0.274 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= 0.501 K(o=0.5,f=0) USER MOD Single : A 138 MET CE :methyl 166:sc= -0.38 (180deg=-0.598) USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 TYR OH : rot 180:sc=-0.00245 USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 149 ASN : amide:sc= 0.263 X(o=0.26,f=0) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 SER OG : rot 16:sc= 0.165 USER MOD Single : A 154 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 158 LYS NZ :NH3+ -117:sc= -0.248 (180deg=-1.4!) USER MOD Single : A 161 GLN : amide:sc= -0.0029 K(o=-0.0029,f=-0.72) USER MOD Single : A 162 LYS NZ :NH3+ -175:sc= -0.0471 (180deg=-0.0712) USER MOD Single : A 164 TYR OH : rot 180:sc= -0.413 USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 8 -13.241 1.650 6.432 1.00 -0.66 N ATOM 110 CA PRO A 8 -12.723 0.768 5.399 1.00 0.36 C ATOM 111 C PRO A 8 -13.745 0.562 4.283 1.00 0.57 C ATOM 112 O PRO A 8 -14.925 0.877 4.436 1.00 -0.57 O ATOM 113 CB PRO A 8 -12.369 -0.536 6.094 1.00 0.00 C ATOM 114 CG PRO A 8 -13.181 -0.555 7.387 1.00 0.00 C ATOM 115 CD PRO A 8 -13.581 0.898 7.634 1.00 0.30 C ATOM 0 HA PRO A 8 -11.845 1.196 4.915 1.00 0.36 H new ATOM 0 HB2 PRO A 8 -12.614 -1.392 5.466 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -11.301 -0.590 6.303 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -14.059 -1.194 7.290 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.591 -0.947 8.216 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.648 0.973 7.845 1.00 0.30 H new ATOM 0 HD3 PRO A 8 -13.055 1.300 8.500 1.00 0.30 H new ATOM 123 N LYS A 9 -13.273 0.015 3.152 1.00 -0.73 N ATOM 124 CA LYS A 9 -14.041 -0.164 1.911 1.00 0.36 C ATOM 125 C LYS A 9 -14.171 1.135 1.119 1.00 0.57 C ATOM 126 O LYS A 9 -14.598 1.066 -0.025 1.00 -0.57 O ATOM 127 CB LYS A 9 -15.441 -0.784 2.156 1.00 0.00 C ATOM 128 CG LYS A 9 -15.988 -1.592 0.964 1.00 0.00 C ATOM 129 CD LYS A 9 -17.526 -1.637 0.915 1.00 0.00 C ATOM 130 CE LYS A 9 -18.095 -3.041 1.131 1.00 0.50 C ATOM 131 NZ LYS A 9 -18.799 -3.200 2.420 1.00 -0.85 N ATOM 0 H LYS A 9 -12.315 -0.326 3.074 1.00 -0.73 H new ATOM 0 HA LYS A 9 -13.466 -0.871 1.314 1.00 0.36 H new ATOM 0 HB2 LYS A 9 -15.391 -1.434 3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -16.144 0.015 2.393 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.614 -1.157 0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.603 -2.610 1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -17.927 -0.968 1.677 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -17.864 -1.260 -0.050 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.784 -3.274 0.319 1.00 0.50 H new ATOM 0 HE3 LYS A 9 -17.283 -3.766 1.078 1.00 0.50 H new ATOM 0 HZ1 LYS A 9 -19.159 -4.172 2.501 1.00 -0.85 H new ATOM 0 HZ2 LYS A 9 -18.140 -3.008 3.201 1.00 -0.85 H new ATOM 0 HZ3 LYS A 9 -19.595 -2.532 2.466 1.00 -0.85 H new ATOM 145 N TRP A 10 -13.815 2.298 1.683 1.00 -0.73 N ATOM 146 CA TRP A 10 -14.120 3.610 1.106 1.00 0.36 C ATOM 147 C TRP A 10 -15.620 3.867 0.963 1.00 0.57 C ATOM 148 O TRP A 10 -16.019 4.717 0.166 1.00 -0.57 O ATOM 149 CB TRP A 10 -13.399 3.792 -0.235 1.00 0.18 C ATOM 150 CG TRP A 10 -11.930 3.783 -0.101 1.00 -0.18 C ATOM 151 CD1 TRP A 10 -11.102 2.716 -0.076 1.00 -0.30 C ATOM 152 CD2 TRP A 10 -11.119 4.948 0.153 1.00 0.00 C ATOM 153 NE1 TRP A 10 -9.810 3.159 0.095 1.00 0.03 N ATOM 154 CE2 TRP A 10 -9.764 4.531 0.191 1.00 -0.15 C ATOM 155 CE3 TRP A 10 -11.414 6.308 0.385 1.00 -0.15 C ATOM 156 CZ2 TRP A 10 -8.732 5.434 0.410 1.00 -0.15 C ATOM 157 CZ3 TRP A 10 -10.387 7.222 0.649 1.00 -0.15 C ATOM 158 CH2 TRP A 10 -9.058 6.779 0.642 1.00 -0.15 C ATOM 0 H TRP A 10 -13.301 2.352 2.563 1.00 -0.73 H new ATOM 0 HA TRP A 10 -13.749 4.355 1.809 1.00 0.36 H new ATOM 0 HB2 TRP A 10 -13.702 2.996 -0.916 1.00 0.18 H new ATOM 0 HB3 TRP A 10 -13.712 4.734 -0.686 1.00 0.18 H new ATOM 0 HD1 TRP A 10 -11.404 1.684 -0.174 1.00 -0.30 H new ATOM 0 HE1 TRP A 10 -8.993 2.550 0.144 1.00 0.03 H new ATOM 0 HE3 TRP A 10 -12.439 6.646 0.359 1.00 -0.15 H new ATOM 0 HZ2 TRP A 10 -7.702 5.109 0.402 1.00 -0.15 H new ATOM 0 HZ3 TRP A 10 -10.617 8.257 0.856 1.00 -0.15 H new ATOM 0 HH2 TRP A 10 -8.265 7.490 0.820 1.00 -0.15 H new ATOM 169 N THR A 11 -16.456 3.120 1.695 1.00 -0.73 N ATOM 170 CA THR A 11 -17.920 3.165 1.653 1.00 0.36 C ATOM 171 C THR A 11 -18.499 2.629 0.321 1.00 0.57 C ATOM 172 O THR A 11 -19.462 1.864 0.346 1.00 -0.57 O ATOM 173 CB THR A 11 -18.407 4.593 1.997 1.00 0.28 C ATOM 174 OG1 THR A 11 -17.706 5.120 3.108 1.00 -0.68 O ATOM 175 CG2 THR A 11 -19.900 4.643 2.329 1.00 0.00 C ATOM 0 H THR A 11 -16.110 2.434 2.366 1.00 -0.73 H new ATOM 0 HA THR A 11 -18.307 2.485 2.412 1.00 0.36 H new ATOM 0 HB THR A 11 -18.217 5.187 1.103 1.00 0.28 H new ATOM 0 HG1 THR A 11 -18.032 6.023 3.302 1.00 -0.68 H new ATOM 0 HG21 THR A 11 -20.187 5.668 2.562 1.00 0.00 H new ATOM 0 HG22 THR A 11 -20.475 4.291 1.472 1.00 0.00 H new ATOM 0 HG23 THR A 11 -20.103 4.005 3.189 1.00 0.00 H new ATOM 183 N SER A 12 -17.911 2.993 -0.826 1.00 -0.73 N ATOM 184 CA SER A 12 -18.213 2.513 -2.177 1.00 0.36 C ATOM 185 C SER A 12 -17.641 1.098 -2.404 1.00 0.57 C ATOM 186 O SER A 12 -17.057 0.494 -1.510 1.00 -0.57 O ATOM 187 CB SER A 12 -17.658 3.587 -3.144 1.00 0.28 C ATOM 188 OG SER A 12 -17.504 3.203 -4.499 1.00 -0.68 O ATOM 0 H SER A 12 -17.158 3.680 -0.832 1.00 -0.73 H new ATOM 0 HA SER A 12 -19.283 2.394 -2.349 1.00 0.36 H new ATOM 0 HB2 SER A 12 -18.320 4.452 -3.108 1.00 0.28 H new ATOM 0 HB3 SER A 12 -16.687 3.913 -2.770 1.00 0.28 H new ATOM 0 HG SER A 12 -16.581 3.369 -4.783 1.00 -0.68 H new ATOM 194 N LYS A 13 -17.811 0.548 -3.615 1.00 -0.73 N ATOM 195 CA LYS A 13 -17.139 -0.679 -4.077 1.00 0.36 C ATOM 196 C LYS A 13 -15.959 -0.369 -5.003 1.00 0.57 C ATOM 197 O LYS A 13 -15.179 -1.266 -5.328 1.00 -0.57 O ATOM 198 CB LYS A 13 -18.129 -1.588 -4.825 1.00 0.00 C ATOM 199 CG LYS A 13 -18.686 -2.716 -3.954 1.00 0.00 C ATOM 200 CD LYS A 13 -19.669 -2.255 -2.865 1.00 0.00 C ATOM 201 CE LYS A 13 -20.968 -3.054 -3.011 1.00 0.50 C ATOM 202 NZ LYS A 13 -21.855 -2.942 -1.837 1.00 -0.85 N ATOM 0 H LYS A 13 -18.432 0.951 -4.317 1.00 -0.73 H new ATOM 0 HA LYS A 13 -16.763 -1.187 -3.189 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -18.956 -0.984 -5.199 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -17.631 -2.020 -5.693 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -19.188 -3.440 -4.596 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.854 -3.235 -3.478 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -19.238 -2.410 -1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -19.868 -1.188 -2.962 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -21.502 -2.708 -3.896 1.00 0.50 H new ATOM 0 HE3 LYS A 13 -20.725 -4.104 -3.176 1.00 0.50 H new ATOM 0 HZ1 LYS A 13 -22.715 -3.504 -1.997 1.00 -0.85 H new ATOM 0 HZ2 LYS A 13 -21.361 -3.298 -0.994 1.00 -0.85 H new ATOM 0 HZ3 LYS A 13 -22.114 -1.945 -1.692 1.00 -0.85 H new ATOM 216 N VAL A 14 -15.830 0.889 -5.429 1.00 -0.73 N ATOM 217 CA VAL A 14 -14.745 1.354 -6.267 1.00 0.36 C ATOM 218 C VAL A 14 -14.124 2.563 -5.585 1.00 0.57 C ATOM 219 O VAL A 14 -14.834 3.352 -4.949 1.00 -0.57 O ATOM 220 CB VAL A 14 -15.243 1.634 -7.703 1.00 0.00 C ATOM 221 CG1 VAL A 14 -15.832 3.038 -7.919 1.00 0.00 C ATOM 222 CG2 VAL A 14 -14.108 1.416 -8.703 1.00 0.00 C ATOM 0 H VAL A 14 -16.497 1.623 -5.190 1.00 -0.73 H new ATOM 0 HA VAL A 14 -13.974 0.592 -6.381 1.00 0.36 H new ATOM 0 HB VAL A 14 -16.059 0.929 -7.864 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -16.154 3.142 -8.955 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -16.686 3.180 -7.257 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -15.073 3.789 -7.698 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -14.469 1.616 -9.712 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.284 2.092 -8.472 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.760 0.385 -8.640 1.00 0.00 H new ATOM 232 N VAL A 15 -12.810 2.690 -5.761 1.00 -0.73 N ATOM 233 CA VAL A 15 -11.967 3.703 -5.144 1.00 0.36 C ATOM 234 C VAL A 15 -11.248 4.433 -6.271 1.00 0.57 C ATOM 235 O VAL A 15 -11.056 3.880 -7.352 1.00 -0.57 O ATOM 236 CB VAL A 15 -10.951 3.026 -4.193 1.00 0.00 C ATOM 237 CG1 VAL A 15 -10.218 4.039 -3.315 1.00 0.00 C ATOM 238 CG2 VAL A 15 -11.627 2.016 -3.273 1.00 0.00 C ATOM 0 H VAL A 15 -12.284 2.059 -6.366 1.00 -0.73 H new ATOM 0 HA VAL A 15 -12.556 4.405 -4.554 1.00 0.36 H new ATOM 0 HB VAL A 15 -10.236 2.521 -4.843 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.516 3.517 -2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.674 4.741 -3.946 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.940 4.583 -2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.881 1.562 -2.621 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -12.379 2.522 -2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.105 1.241 -3.872 1.00 0.00 H new ATOM 248 N THR A 16 -10.809 5.660 -6.029 1.00 -0.73 N ATOM 249 CA THR A 16 -10.106 6.444 -7.023 1.00 0.36 C ATOM 250 C THR A 16 -8.636 6.534 -6.611 1.00 0.57 C ATOM 251 O THR A 16 -8.333 6.726 -5.437 1.00 -0.57 O ATOM 252 CB THR A 16 -10.833 7.788 -7.203 1.00 0.28 C ATOM 253 OG1 THR A 16 -10.870 8.562 -6.024 1.00 -0.68 O ATOM 254 CG2 THR A 16 -12.286 7.573 -7.649 1.00 0.00 C ATOM 0 H THR A 16 -10.933 6.137 -5.136 1.00 -0.73 H new ATOM 0 HA THR A 16 -10.110 5.984 -8.011 1.00 0.36 H new ATOM 0 HB THR A 16 -10.260 8.321 -7.962 1.00 0.28 H new ATOM 0 HG1 THR A 16 -11.642 8.296 -5.482 1.00 -0.68 H new ATOM 0 HG21 THR A 16 -12.777 8.539 -7.769 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.300 7.039 -8.599 1.00 0.00 H new ATOM 0 HG23 THR A 16 -12.815 6.988 -6.896 1.00 0.00 H new ATOM 262 N TYR A 17 -7.699 6.401 -7.551 1.00 -0.73 N ATOM 263 CA TYR A 17 -6.277 6.537 -7.262 1.00 0.36 C ATOM 264 C TYR A 17 -5.681 7.564 -8.214 1.00 0.57 C ATOM 265 O TYR A 17 -6.089 7.665 -9.375 1.00 -0.57 O ATOM 266 CB TYR A 17 -5.560 5.174 -7.308 1.00 0.14 C ATOM 267 CG TYR A 17 -5.620 4.460 -8.643 1.00 -0.14 C ATOM 268 CD1 TYR A 17 -6.741 3.678 -8.970 1.00 -0.15 C ATOM 269 CD2 TYR A 17 -4.570 4.595 -9.569 1.00 -0.15 C ATOM 270 CE1 TYR A 17 -6.830 3.048 -10.225 1.00 -0.15 C ATOM 271 CE2 TYR A 17 -4.651 3.959 -10.817 1.00 -0.15 C ATOM 272 CZ TYR A 17 -5.779 3.184 -11.157 1.00 0.08 C ATOM 273 OH TYR A 17 -5.863 2.577 -12.376 1.00 -0.53 O ATOM 0 H TYR A 17 -7.907 6.197 -8.529 1.00 -0.73 H new ATOM 0 HA TYR A 17 -6.135 6.899 -6.244 1.00 0.36 H new ATOM 0 HB2 TYR A 17 -4.514 5.322 -7.040 1.00 0.14 H new ATOM 0 HB3 TYR A 17 -5.996 4.526 -6.547 1.00 0.14 H new ATOM 0 HD1 TYR A 17 -7.540 3.560 -8.253 1.00 -0.15 H new ATOM 0 HD2 TYR A 17 -3.702 5.188 -9.320 1.00 -0.15 H new ATOM 0 HE1 TYR A 17 -7.702 2.461 -10.475 1.00 -0.15 H new ATOM 0 HE2 TYR A 17 -3.842 4.064 -11.524 1.00 -0.15 H new ATOM 0 HH TYR A 17 -5.056 2.773 -12.896 1.00 -0.53 H new ATOM 283 N ARG A 18 -4.734 8.359 -7.708 1.00 -0.73 N ATOM 284 CA ARG A 18 -4.054 9.371 -8.501 1.00 0.36 C ATOM 285 C ARG A 18 -2.654 9.571 -7.951 1.00 0.57 C ATOM 286 O ARG A 18 -2.456 10.126 -6.873 1.00 -0.57 O ATOM 287 CB ARG A 18 -4.818 10.701 -8.500 1.00 0.00 C ATOM 288 CG ARG A 18 -4.213 11.636 -9.559 1.00 0.00 C ATOM 289 CD ARG A 18 -4.359 13.112 -9.193 1.00 0.33 C ATOM 290 NE ARG A 18 -3.440 13.914 -10.018 1.00 -0.84 N ATOM 291 CZ ARG A 18 -3.345 15.247 -10.079 1.00 1.20 C ATOM 292 NH1 ARG A 18 -4.128 16.043 -9.347 1.00 -0.97 N ATOM 293 NH2 ARG A 18 -2.452 15.764 -10.912 1.00 -0.97 N ATOM 0 H ARG A 18 -4.422 8.315 -6.738 1.00 -0.73 H new ATOM 0 HA ARG A 18 -4.005 9.026 -9.534 1.00 0.36 H new ATOM 0 HB2 ARG A 18 -5.873 10.528 -8.712 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.763 11.164 -7.515 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.156 11.400 -9.686 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.697 11.454 -10.518 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.387 13.438 -9.353 1.00 0.33 H new ATOM 0 HD3 ARG A 18 -4.139 13.259 -8.136 1.00 0.33 H new ATOM 0 HE ARG A 18 -2.799 13.390 -10.614 1.00 -0.84 H new ATOM 0 HH11 ARG A 18 -4.823 15.638 -8.719 1.00 -0.97 H new ATOM 0 HH12 ARG A 18 -4.032 17.056 -9.415 1.00 -0.97 H new ATOM 0 HH21 ARG A 18 -1.867 15.149 -11.478 1.00 -0.97 H new ATOM 0 HH22 ARG A 18 -2.350 16.776 -10.986 1.00 -0.97 H new ATOM 307 N ILE A 19 -1.669 9.149 -8.725 1.00 -0.73 N ATOM 308 CA ILE A 19 -0.284 9.350 -8.373 1.00 0.36 C ATOM 309 C ILE A 19 0.048 10.809 -8.775 1.00 0.57 C ATOM 310 O ILE A 19 0.237 11.111 -9.956 1.00 -0.57 O ATOM 311 CB ILE A 19 0.541 8.218 -9.020 1.00 0.00 C ATOM 312 CG1 ILE A 19 0.007 6.785 -8.744 1.00 0.00 C ATOM 313 CG2 ILE A 19 1.990 8.297 -8.545 1.00 0.00 C ATOM 314 CD1 ILE A 19 -0.208 5.990 -10.036 1.00 0.00 C ATOM 0 H ILE A 19 -1.811 8.661 -9.609 1.00 -0.73 H new ATOM 0 HA ILE A 19 -0.042 9.271 -7.313 1.00 0.36 H new ATOM 0 HB ILE A 19 0.457 8.380 -10.095 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.712 6.253 -8.105 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.934 6.848 -8.197 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.568 7.495 -9.005 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.414 9.260 -8.830 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.024 8.192 -7.461 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.582 4.995 -9.793 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.933 6.507 -10.665 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.738 5.902 -10.571 1.00 0.00 H new ATOM 326 N VAL A 20 -0.037 11.747 -7.814 1.00 -0.73 N ATOM 327 CA VAL A 20 0.170 13.196 -8.021 1.00 0.36 C ATOM 328 C VAL A 20 1.631 13.544 -8.318 1.00 0.57 C ATOM 329 O VAL A 20 1.902 14.448 -9.108 1.00 -0.57 O ATOM 330 CB VAL A 20 -0.272 14.032 -6.794 1.00 0.00 C ATOM 331 CG1 VAL A 20 -1.796 14.107 -6.682 1.00 0.00 C ATOM 332 CG2 VAL A 20 0.337 13.565 -5.460 1.00 0.00 C ATOM 0 H VAL A 20 -0.257 11.514 -6.846 1.00 -0.73 H new ATOM 0 HA VAL A 20 -0.448 13.445 -8.884 1.00 0.36 H new ATOM 0 HB VAL A 20 0.124 15.030 -6.980 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.068 14.701 -5.810 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.204 14.572 -7.579 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.203 13.101 -6.577 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.023 14.203 -4.653 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.042 12.534 -5.267 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.424 13.628 -5.514 1.00 0.00 H new ATOM 342 N SER A 21 2.550 12.836 -7.665 1.00 -0.73 N ATOM 343 CA SER A 21 3.994 12.948 -7.792 1.00 0.36 C ATOM 344 C SER A 21 4.462 11.511 -8.002 1.00 0.57 C ATOM 345 O SER A 21 3.756 10.581 -7.612 1.00 -0.57 O ATOM 346 CB SER A 21 4.589 13.625 -6.534 1.00 0.28 C ATOM 347 OG SER A 21 5.908 13.182 -6.264 1.00 -0.68 O ATOM 0 H SER A 21 2.283 12.121 -6.988 1.00 -0.73 H new ATOM 0 HA SER A 21 4.321 13.578 -8.619 1.00 0.36 H new ATOM 0 HB2 SER A 21 4.591 14.706 -6.671 1.00 0.28 H new ATOM 0 HB3 SER A 21 3.953 13.414 -5.674 1.00 0.28 H new ATOM 0 HG SER A 21 6.218 13.572 -5.420 1.00 -0.68 H new ATOM 353 N TYR A 22 5.649 11.324 -8.578 1.00 -0.73 N ATOM 354 CA TYR A 22 6.229 10.029 -8.903 1.00 0.36 C ATOM 355 C TYR A 22 7.683 10.026 -8.430 1.00 0.57 C ATOM 356 O TYR A 22 8.181 11.040 -7.953 1.00 -0.57 O ATOM 357 CB TYR A 22 6.123 9.762 -10.411 1.00 0.14 C ATOM 358 CG TYR A 22 4.706 9.577 -10.919 1.00 -0.14 C ATOM 359 CD1 TYR A 22 3.947 10.702 -11.291 1.00 -0.15 C ATOM 360 CD2 TYR A 22 4.158 8.286 -11.046 1.00 -0.15 C ATOM 361 CE1 TYR A 22 2.651 10.543 -11.806 1.00 -0.15 C ATOM 362 CE2 TYR A 22 2.869 8.116 -11.588 1.00 -0.15 C ATOM 363 CZ TYR A 22 2.112 9.247 -11.975 1.00 0.08 C ATOM 364 OH TYR A 22 0.854 9.092 -12.476 1.00 -0.53 O ATOM 0 H TYR A 22 6.253 12.103 -8.840 1.00 -0.73 H new ATOM 0 HA TYR A 22 5.687 9.229 -8.399 1.00 0.36 H new ATOM 0 HB2 TYR A 22 6.582 10.592 -10.947 1.00 0.14 H new ATOM 0 HB3 TYR A 22 6.701 8.869 -10.651 1.00 0.14 H new ATOM 0 HD1 TYR A 22 4.364 11.692 -11.180 1.00 -0.15 H new ATOM 0 HD2 TYR A 22 4.727 7.425 -10.727 1.00 -0.15 H new ATOM 0 HE1 TYR A 22 2.066 11.410 -12.073 1.00 -0.15 H new ATOM 0 HE2 TYR A 22 2.459 7.124 -11.708 1.00 -0.15 H new ATOM 0 HH TYR A 22 0.638 8.138 -12.528 1.00 -0.53 H new ATOM 374 N THR A 23 8.357 8.884 -8.570 1.00 -0.73 N ATOM 375 CA THR A 23 9.789 8.753 -8.336 1.00 0.36 C ATOM 376 C THR A 23 10.551 9.099 -9.634 1.00 0.57 C ATOM 377 O THR A 23 10.033 9.811 -10.498 1.00 -0.57 O ATOM 378 CB THR A 23 10.056 7.340 -7.772 1.00 0.28 C ATOM 379 OG1 THR A 23 11.414 7.128 -7.437 1.00 -0.68 O ATOM 380 CG2 THR A 23 9.665 6.241 -8.760 1.00 0.00 C ATOM 0 H THR A 23 7.912 8.011 -8.854 1.00 -0.73 H new ATOM 0 HA THR A 23 10.160 9.457 -7.591 1.00 0.36 H new ATOM 0 HB THR A 23 9.440 7.287 -6.874 1.00 0.28 H new ATOM 0 HG1 THR A 23 11.470 6.661 -6.577 1.00 -0.68 H new ATOM 0 HG21 THR A 23 9.871 5.266 -8.319 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.602 6.319 -8.989 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.243 6.354 -9.677 1.00 0.00 H new ATOM 388 N ARG A 24 11.769 8.561 -9.794 1.00 -0.73 N ATOM 389 CA ARG A 24 12.581 8.707 -10.997 1.00 0.36 C ATOM 390 C ARG A 24 13.189 7.406 -11.532 1.00 0.57 C ATOM 391 O ARG A 24 13.430 7.370 -12.737 1.00 -0.57 O ATOM 392 CB ARG A 24 13.718 9.711 -10.749 1.00 0.00 C ATOM 393 CG ARG A 24 13.292 11.182 -10.864 1.00 0.00 C ATOM 394 CD ARG A 24 14.526 12.006 -11.250 1.00 0.33 C ATOM 395 NE ARG A 24 14.239 13.446 -11.291 1.00 -0.84 N ATOM 396 CZ ARG A 24 14.852 14.352 -12.070 1.00 1.20 C ATOM 397 NH1 ARG A 24 15.751 14.026 -12.995 1.00 -0.97 N ATOM 398 NH2 ARG A 24 14.570 15.645 -11.946 1.00 -0.97 N ATOM 0 H ARG A 24 12.221 8.001 -9.071 1.00 -0.73 H new ATOM 0 HA ARG A 24 11.887 9.061 -11.759 1.00 0.36 H new ATOM 0 HB2 ARG A 24 14.129 9.540 -9.754 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.520 9.519 -11.462 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.509 11.294 -11.614 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.880 11.534 -9.918 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.326 11.817 -10.534 1.00 0.33 H new ATOM 0 HD3 ARG A 24 14.888 11.681 -12.226 1.00 0.33 H new ATOM 0 HE ARG A 24 13.506 13.790 -10.670 1.00 -0.84 H new ATOM 0 HH11 ARG A 24 16.004 13.048 -13.138 1.00 -0.97 H new ATOM 0 HH12 ARG A 24 16.188 14.754 -13.561 1.00 -0.97 H new ATOM 0 HH21 ARG A 24 13.885 15.954 -11.256 1.00 -0.97 H new ATOM 0 HH22 ARG A 24 15.039 16.329 -12.540 1.00 -0.97 H new ATOM 412 N ASP A 25 13.476 6.394 -10.690 1.00 -0.73 N ATOM 413 CA ASP A 25 14.233 5.188 -11.103 1.00 0.36 C ATOM 414 C ASP A 25 13.493 4.439 -12.215 1.00 0.57 C ATOM 415 O ASP A 25 14.063 4.135 -13.265 1.00 -0.57 O ATOM 416 CB ASP A 25 14.489 4.238 -9.911 1.00 0.06 C ATOM 417 CG ASP A 25 15.586 3.176 -10.204 1.00 0.66 C ATOM 418 OD1 ASP A 25 16.754 3.484 -10.034 1.00 -0.57 O ATOM 419 OD2 ASP A 25 15.266 1.960 -10.638 1.00 -0.65 O ATOM 0 H ASP A 25 13.193 6.385 -9.710 1.00 -0.73 H new ATOM 0 HA ASP A 25 15.198 5.526 -11.480 1.00 0.36 H new ATOM 0 HB2 ASP A 25 14.784 4.826 -9.042 1.00 0.06 H new ATOM 0 HB3 ASP A 25 13.560 3.730 -9.652 1.00 0.06 H new ATOM 425 N LEU A 26 12.191 4.231 -11.993 1.00 -0.73 N ATOM 426 CA LEU A 26 11.266 3.614 -12.930 1.00 0.36 C ATOM 427 C LEU A 26 10.293 4.688 -13.465 1.00 0.57 C ATOM 428 O LEU A 26 10.116 5.734 -12.832 1.00 -0.57 O ATOM 429 CB LEU A 26 10.583 2.368 -12.302 1.00 0.00 C ATOM 430 CG LEU A 26 9.826 2.451 -10.955 1.00 0.00 C ATOM 431 CD1 LEU A 26 10.716 2.345 -9.716 1.00 0.00 C ATOM 432 CD2 LEU A 26 9.002 3.715 -10.821 1.00 0.00 C ATOM 0 H LEU A 26 11.742 4.501 -11.118 1.00 -0.73 H new ATOM 0 HA LEU A 26 11.800 3.223 -13.796 1.00 0.36 H new ATOM 0 HB2 LEU A 26 9.875 1.990 -13.040 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.356 1.609 -12.184 1.00 0.00 H new ATOM 0 HG LEU A 26 9.177 1.576 -10.990 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.101 2.413 -8.819 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.240 1.389 -9.725 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.443 3.157 -9.720 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.494 3.718 -9.857 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.656 4.584 -10.889 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.262 3.754 -11.621 1.00 0.00 H new ATOM 444 N PRO A 27 9.663 4.473 -14.633 1.00 -0.66 N ATOM 445 CA PRO A 27 8.707 5.429 -15.177 1.00 0.36 C ATOM 446 C PRO A 27 7.336 5.356 -14.484 1.00 0.57 C ATOM 447 O PRO A 27 6.923 4.319 -13.965 1.00 -0.57 O ATOM 448 CB PRO A 27 8.617 5.109 -16.669 1.00 0.00 C ATOM 449 CG PRO A 27 9.110 3.671 -16.822 1.00 0.00 C ATOM 450 CD PRO A 27 9.942 3.397 -15.572 1.00 0.30 C ATOM 0 HA PRO A 27 9.037 6.454 -15.006 1.00 0.36 H new ATOM 0 HB2 PRO A 27 7.593 5.211 -17.029 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.230 5.796 -17.253 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.275 2.975 -16.899 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.708 3.554 -17.726 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.682 2.431 -15.140 1.00 0.30 H new ATOM 0 HD3 PRO A 27 11.004 3.363 -15.815 1.00 0.30 H new ATOM 458 N HIS A 28 6.585 6.460 -14.552 1.00 -0.73 N ATOM 459 CA HIS A 28 5.237 6.588 -13.992 1.00 0.36 C ATOM 460 C HIS A 28 4.233 5.588 -14.579 1.00 0.57 C ATOM 461 O HIS A 28 3.361 5.090 -13.868 1.00 -0.57 O ATOM 462 CB HIS A 28 4.733 8.023 -14.210 1.00 0.17 C ATOM 463 CG HIS A 28 4.963 8.587 -15.585 1.00 0.18 C ATOM 464 ND1 HIS A 28 4.224 8.315 -16.712 1.00 -0.70 N ATOM 465 CD2 HIS A 28 5.929 9.488 -15.937 1.00 0.20 C ATOM 466 CE1 HIS A 28 4.754 9.023 -17.723 1.00 0.65 C ATOM 467 NE2 HIS A 28 5.789 9.767 -17.302 1.00 -0.70 N ATOM 0 H HIS A 28 6.907 7.312 -15.011 1.00 -0.73 H new ATOM 0 HA HIS A 28 5.310 6.360 -12.929 1.00 0.36 H new ATOM 0 HB2 HIS A 28 3.664 8.050 -13.999 1.00 0.17 H new ATOM 0 HB3 HIS A 28 5.218 8.674 -13.483 1.00 0.17 H new ATOM 0 HD2 HIS A 28 6.671 9.911 -15.277 1.00 0.20 H new ATOM 0 HE1 HIS A 28 4.395 8.997 -18.741 1.00 0.65 H new ATOM 0 HE2 HIS A 28 6.356 10.404 -17.861 1.00 -0.70 H new ATOM 476 N ILE A 29 4.361 5.269 -15.871 1.00 -0.73 N ATOM 477 CA ILE A 29 3.551 4.233 -16.506 1.00 0.36 C ATOM 478 C ILE A 29 3.847 2.865 -15.878 1.00 0.57 C ATOM 479 O ILE A 29 2.923 2.085 -15.669 1.00 -0.57 O ATOM 480 CB ILE A 29 3.740 4.267 -18.041 1.00 0.00 C ATOM 481 CG1 ILE A 29 2.859 3.204 -18.733 1.00 0.00 C ATOM 482 CG2 ILE A 29 5.211 4.131 -18.479 1.00 0.00 C ATOM 483 CD1 ILE A 29 2.472 3.613 -20.159 1.00 0.00 C ATOM 0 H ILE A 29 5.025 5.720 -16.500 1.00 -0.73 H new ATOM 0 HA ILE A 29 2.494 4.428 -16.326 1.00 0.36 H new ATOM 0 HB ILE A 29 3.415 5.256 -18.363 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.393 2.254 -18.761 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.955 3.044 -18.145 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.271 4.163 -19.567 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.793 4.952 -18.059 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.611 3.182 -18.121 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.853 2.835 -20.605 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.914 4.549 -20.130 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.374 3.747 -20.757 1.00 0.00 H new ATOM 495 N THR A 30 5.110 2.600 -15.526 1.00 -0.73 N ATOM 496 CA THR A 30 5.493 1.393 -14.815 1.00 0.36 C ATOM 497 C THR A 30 4.948 1.453 -13.385 1.00 0.57 C ATOM 498 O THR A 30 4.429 0.434 -12.945 1.00 -0.57 O ATOM 499 CB THR A 30 7.017 1.183 -14.928 1.00 0.28 C ATOM 500 OG1 THR A 30 7.302 0.647 -16.209 1.00 -0.68 O ATOM 501 CG2 THR A 30 7.636 0.253 -13.888 1.00 0.00 C ATOM 0 H THR A 30 5.891 3.223 -15.730 1.00 -0.73 H new ATOM 0 HA THR A 30 5.047 0.505 -15.264 1.00 0.36 H new ATOM 0 HB THR A 30 7.457 2.165 -14.756 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.268 0.509 -16.298 1.00 -0.68 H new ATOM 0 HG21 THR A 30 8.710 0.177 -14.061 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.456 0.652 -12.890 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.185 -0.736 -13.970 1.00 0.00 H new ATOM 509 N VAL A 31 4.959 2.605 -12.693 1.00 -0.73 N ATOM 510 CA VAL A 31 4.290 2.739 -11.392 1.00 0.36 C ATOM 511 C VAL A 31 2.836 2.293 -11.511 1.00 0.57 C ATOM 512 O VAL A 31 2.453 1.370 -10.797 1.00 -0.57 O ATOM 513 CB VAL A 31 4.399 4.172 -10.814 1.00 0.00 C ATOM 514 CG1 VAL A 31 3.405 4.461 -9.682 1.00 0.00 C ATOM 515 CG2 VAL A 31 5.819 4.411 -10.327 1.00 0.00 C ATOM 0 H VAL A 31 5.424 3.454 -13.014 1.00 -0.73 H new ATOM 0 HA VAL A 31 4.803 2.089 -10.683 1.00 0.36 H new ATOM 0 HB VAL A 31 4.144 4.856 -11.623 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.542 5.483 -9.329 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.387 4.338 -10.052 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.578 3.767 -8.860 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.899 5.419 -9.920 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.065 3.685 -9.552 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.513 4.300 -11.160 1.00 0.00 H new ATOM 525 N ASP A 32 2.057 2.900 -12.417 1.00 -0.73 N ATOM 526 CA ASP A 32 0.638 2.574 -12.580 1.00 0.36 C ATOM 527 C ASP A 32 0.447 1.117 -12.984 1.00 0.57 C ATOM 528 O ASP A 32 -0.437 0.464 -12.446 1.00 -0.57 O ATOM 529 CB ASP A 32 -0.025 3.481 -13.625 1.00 0.06 C ATOM 530 CG ASP A 32 -1.517 3.149 -13.866 1.00 0.66 C ATOM 531 OD1 ASP A 32 -2.327 3.850 -13.282 1.00 -0.57 O ATOM 532 OD2 ASP A 32 -1.874 2.206 -14.733 1.00 -0.65 O ATOM 0 H ASP A 32 2.392 3.625 -13.052 1.00 -0.73 H new ATOM 0 HA ASP A 32 0.162 2.739 -11.613 1.00 0.36 H new ATOM 0 HB2 ASP A 32 0.062 4.519 -13.302 1.00 0.06 H new ATOM 0 HB3 ASP A 32 0.516 3.394 -14.567 1.00 0.06 H new ATOM 538 N ARG A 33 1.279 0.587 -13.889 1.00 -0.73 N ATOM 539 CA ARG A 33 1.145 -0.792 -14.356 1.00 0.36 C ATOM 540 C ARG A 33 1.433 -1.798 -13.248 1.00 0.57 C ATOM 541 O ARG A 33 0.692 -2.770 -13.087 1.00 -0.57 O ATOM 542 CB ARG A 33 2.088 -1.044 -15.547 1.00 0.00 C ATOM 543 CG ARG A 33 1.452 -0.643 -16.885 1.00 0.00 C ATOM 544 CD ARG A 33 0.253 -1.550 -17.218 1.00 0.33 C ATOM 545 NE ARG A 33 0.501 -2.438 -18.368 1.00 -0.84 N ATOM 546 CZ ARG A 33 -0.190 -3.558 -18.639 1.00 1.20 C ATOM 547 NH1 ARG A 33 -1.176 -3.973 -17.844 1.00 -0.97 N ATOM 548 NH2 ARG A 33 0.137 -4.286 -19.701 1.00 -0.97 N ATOM 0 H ARG A 33 2.054 1.098 -14.312 1.00 -0.73 H new ATOM 0 HA ARG A 33 0.111 -0.930 -14.672 1.00 0.36 H new ATOM 0 HB2 ARG A 33 3.011 -0.482 -15.403 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.358 -2.099 -15.577 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.126 0.396 -16.840 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.195 -0.710 -17.680 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.010 -2.156 -16.345 1.00 0.33 H new ATOM 0 HD3 ARG A 33 -0.618 -0.929 -17.428 1.00 0.33 H new ATOM 0 HE ARG A 33 1.254 -2.183 -19.007 1.00 -0.84 H new ATOM 0 HH11 ARG A 33 -1.419 -3.437 -17.011 1.00 -0.97 H new ATOM 0 HH12 ARG A 33 -1.688 -4.826 -18.069 1.00 -0.97 H new ATOM 0 HH21 ARG A 33 0.907 -3.993 -20.303 1.00 -0.97 H new ATOM 0 HH22 ARG A 33 -0.382 -5.138 -19.915 1.00 -0.97 H new ATOM 562 N LEU A 34 2.508 -1.566 -12.496 1.00 -0.73 N ATOM 563 CA LEU A 34 2.901 -2.412 -11.385 1.00 0.36 C ATOM 564 C LEU A 34 1.868 -2.299 -10.273 1.00 0.57 C ATOM 565 O LEU A 34 1.487 -3.323 -9.714 1.00 -0.57 O ATOM 566 CB LEU A 34 4.291 -1.989 -10.897 1.00 0.00 C ATOM 567 CG LEU A 34 5.462 -2.672 -11.642 1.00 0.00 C ATOM 568 CD1 LEU A 34 5.326 -2.777 -13.172 1.00 0.00 C ATOM 569 CD2 LEU A 34 6.756 -1.946 -11.263 1.00 0.00 C ATOM 0 H LEU A 34 3.133 -0.775 -12.648 1.00 -0.73 H new ATOM 0 HA LEU A 34 2.949 -3.454 -11.701 1.00 0.36 H new ATOM 0 HB2 LEU A 34 4.388 -0.909 -11.005 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.373 -2.212 -9.833 1.00 0.00 H new ATOM 0 HG LEU A 34 5.462 -3.712 -11.317 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.206 -3.273 -13.582 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.435 -3.355 -13.419 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.241 -1.778 -13.599 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.598 -2.410 -11.777 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.685 -0.899 -11.556 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.908 -2.012 -10.186 1.00 0.00 H new ATOM 581 N VAL A 35 1.370 -1.085 -9.999 1.00 -0.73 N ATOM 582 CA VAL A 35 0.215 -0.878 -9.140 1.00 0.36 C ATOM 583 C VAL A 35 -0.967 -1.678 -9.675 1.00 0.57 C ATOM 584 O VAL A 35 -1.513 -2.452 -8.912 1.00 -0.57 O ATOM 585 CB VAL A 35 -0.061 0.634 -8.940 1.00 0.00 C ATOM 586 CG1 VAL A 35 -1.526 1.036 -8.738 1.00 0.00 C ATOM 587 CG2 VAL A 35 0.733 1.096 -7.710 1.00 0.00 C ATOM 0 H VAL A 35 1.764 -0.222 -10.372 1.00 -0.73 H new ATOM 0 HA VAL A 35 0.411 -1.258 -8.138 1.00 0.36 H new ATOM 0 HB VAL A 35 0.241 1.112 -9.872 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.592 2.116 -8.609 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.109 0.738 -9.610 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.920 0.540 -7.851 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.559 2.159 -7.543 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.408 0.533 -6.835 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.796 0.924 -7.878 1.00 0.00 H new ATOM 597 N SER A 36 -1.333 -1.607 -10.956 1.00 -0.73 N ATOM 598 CA SER A 36 -2.449 -2.380 -11.490 1.00 0.36 C ATOM 599 C SER A 36 -2.266 -3.871 -11.207 1.00 0.57 C ATOM 600 O SER A 36 -3.186 -4.498 -10.688 1.00 -0.57 O ATOM 601 CB SER A 36 -2.621 -2.109 -12.989 1.00 0.28 C ATOM 602 OG SER A 36 -3.747 -1.285 -13.216 1.00 -0.68 O ATOM 0 H SER A 36 -0.867 -1.017 -11.645 1.00 -0.73 H new ATOM 0 HA SER A 36 -3.362 -2.062 -10.986 1.00 0.36 H new ATOM 0 HB2 SER A 36 -1.726 -1.628 -13.383 1.00 0.28 H new ATOM 0 HB3 SER A 36 -2.739 -3.051 -13.524 1.00 0.28 H new ATOM 0 HG SER A 36 -3.843 -1.119 -14.177 1.00 -0.68 H new ATOM 608 N LYS A 37 -1.076 -4.431 -11.452 1.00 -0.73 N ATOM 609 CA LYS A 37 -0.790 -5.840 -11.163 1.00 0.36 C ATOM 610 C LYS A 37 -0.802 -6.142 -9.652 1.00 0.57 C ATOM 611 O LYS A 37 -1.249 -7.221 -9.261 1.00 -0.57 O ATOM 612 CB LYS A 37 0.539 -6.226 -11.836 1.00 0.00 C ATOM 613 CG LYS A 37 0.374 -6.362 -13.364 1.00 0.00 C ATOM 614 CD LYS A 37 1.724 -6.386 -14.099 1.00 0.00 C ATOM 615 CE LYS A 37 1.516 -6.614 -15.604 1.00 0.50 C ATOM 616 NZ LYS A 37 2.762 -6.418 -16.388 1.00 -0.85 N ATOM 0 H LYS A 37 -0.288 -3.923 -11.854 1.00 -0.73 H new ATOM 0 HA LYS A 37 -1.585 -6.458 -11.580 1.00 0.36 H new ATOM 0 HB2 LYS A 37 1.294 -5.471 -11.615 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.899 -7.168 -11.422 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.175 -7.277 -13.588 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.225 -5.532 -13.737 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.249 -5.445 -13.937 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.353 -7.176 -13.689 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.144 -7.626 -15.767 1.00 0.50 H new ATOM 0 HE3 LYS A 37 0.750 -5.930 -15.969 1.00 0.50 H new ATOM 0 HZ1 LYS A 37 2.567 -6.584 -17.396 1.00 -0.85 H new ATOM 0 HZ2 LYS A 37 3.105 -5.445 -16.257 1.00 -0.85 H new ATOM 0 HZ3 LYS A 37 3.487 -7.088 -16.061 1.00 -0.85 H new ATOM 630 N ALA A 38 -0.356 -5.212 -8.802 1.00 -0.73 N ATOM 631 CA ALA A 38 -0.394 -5.336 -7.345 1.00 0.36 C ATOM 632 C ALA A 38 -1.816 -5.267 -6.786 1.00 0.57 C ATOM 633 O ALA A 38 -2.217 -6.089 -5.962 1.00 -0.57 O ATOM 634 CB ALA A 38 0.427 -4.205 -6.726 1.00 0.00 C ATOM 0 H ALA A 38 0.051 -4.332 -9.118 1.00 -0.73 H new ATOM 0 HA ALA A 38 0.018 -6.313 -7.092 1.00 0.36 H new ATOM 0 HB1 ALA A 38 0.403 -4.291 -5.640 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.458 -4.272 -7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.006 -3.245 -7.023 1.00 0.00 H new ATOM 640 N LEU A 39 -2.580 -4.280 -7.239 1.00 -0.73 N ATOM 641 CA LEU A 39 -3.959 -4.047 -6.853 1.00 0.36 C ATOM 642 C LEU A 39 -4.835 -5.161 -7.402 1.00 0.57 C ATOM 643 O LEU A 39 -5.799 -5.531 -6.741 1.00 -0.57 O ATOM 644 CB LEU A 39 -4.430 -2.685 -7.380 1.00 0.00 C ATOM 645 CG LEU A 39 -4.174 -1.520 -6.410 1.00 0.00 C ATOM 646 CD1 LEU A 39 -2.701 -1.401 -5.994 1.00 0.00 C ATOM 647 CD2 LEU A 39 -4.668 -0.228 -7.070 1.00 0.00 C ATOM 0 H LEU A 39 -2.238 -3.595 -7.912 1.00 -0.73 H new ATOM 0 HA LEU A 39 -4.034 -4.040 -5.766 1.00 0.36 H new ATOM 0 HB2 LEU A 39 -3.925 -2.477 -8.323 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.497 -2.739 -7.595 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.723 -1.710 -5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.583 -0.561 -5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.387 -2.320 -5.499 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.085 -1.237 -6.878 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.496 0.613 -6.398 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.126 -0.065 -8.001 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.734 -0.312 -7.281 1.00 0.00 H new ATOM 659 N ASN A 40 -4.484 -5.738 -8.557 1.00 -0.73 N ATOM 660 CA ASN A 40 -5.112 -6.954 -9.044 1.00 0.36 C ATOM 661 C ASN A 40 -4.915 -8.087 -8.042 1.00 0.57 C ATOM 662 O ASN A 40 -5.854 -8.835 -7.825 1.00 -0.57 O ATOM 663 CB ASN A 40 -4.551 -7.352 -10.413 1.00 0.06 C ATOM 664 CG ASN A 40 -5.315 -8.501 -11.064 1.00 0.57 C ATOM 665 OD1 ASN A 40 -6.514 -8.675 -10.892 1.00 -0.57 O ATOM 666 ND2 ASN A 40 -4.614 -9.306 -11.851 1.00 -0.80 N ATOM 0 H ASN A 40 -3.758 -5.370 -9.173 1.00 -0.73 H new ATOM 0 HA ASN A 40 -6.179 -6.764 -9.157 1.00 0.36 H new ATOM 0 HB2 ASN A 40 -4.576 -6.486 -11.075 1.00 0.06 H new ATOM 0 HB3 ASN A 40 -3.505 -7.637 -10.301 1.00 0.06 H new ATOM 0 HD21 ASN A 40 -5.074 -10.084 -12.324 1.00 -0.80 H new ATOM 0 HD22 ASN A 40 -3.615 -9.147 -11.984 1.00 -0.80 H new ATOM 673 N MET A 41 -3.750 -8.218 -7.390 1.00 -0.73 N ATOM 674 CA MET A 41 -3.561 -9.242 -6.359 1.00 0.36 C ATOM 675 C MET A 41 -4.416 -8.972 -5.112 1.00 0.57 C ATOM 676 O MET A 41 -4.919 -9.925 -4.523 1.00 -0.57 O ATOM 677 CB MET A 41 -2.081 -9.427 -5.997 1.00 0.00 C ATOM 678 CG MET A 41 -1.298 -10.076 -7.143 1.00 0.23 C ATOM 679 SD MET A 41 0.414 -10.515 -6.747 1.00 -0.46 S ATOM 680 CE MET A 41 1.277 -9.104 -7.485 1.00 0.23 C ATOM 0 H MET A 41 -2.933 -7.632 -7.558 1.00 -0.73 H new ATOM 0 HA MET A 41 -3.908 -10.182 -6.788 1.00 0.36 H new ATOM 0 HB2 MET A 41 -1.641 -8.459 -5.757 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.999 -10.045 -5.103 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.825 -10.977 -7.459 1.00 0.23 H new ATOM 0 HG3 MET A 41 -1.295 -9.394 -7.993 1.00 0.23 H new ATOM 0 HE1 MET A 41 2.341 -9.168 -7.256 1.00 0.23 H new ATOM 0 HE2 MET A 41 1.138 -9.117 -8.566 1.00 0.23 H new ATOM 0 HE3 MET A 41 0.873 -8.177 -7.078 1.00 0.23 H new ATOM 690 N TRP A 42 -4.645 -7.706 -4.742 1.00 -0.73 N ATOM 691 CA TRP A 42 -5.604 -7.355 -3.689 1.00 0.36 C ATOM 692 C TRP A 42 -7.035 -7.700 -4.135 1.00 0.57 C ATOM 693 O TRP A 42 -7.730 -8.480 -3.482 1.00 -0.57 O ATOM 694 CB TRP A 42 -5.453 -5.866 -3.321 1.00 0.18 C ATOM 695 CG TRP A 42 -4.472 -5.601 -2.220 1.00 -0.18 C ATOM 696 CD1 TRP A 42 -3.125 -5.611 -2.324 1.00 -0.30 C ATOM 697 CD2 TRP A 42 -4.755 -5.367 -0.808 1.00 0.00 C ATOM 698 NE1 TRP A 42 -2.564 -5.446 -1.072 1.00 0.03 N ATOM 699 CE2 TRP A 42 -3.526 -5.363 -0.093 1.00 -0.15 C ATOM 700 CE3 TRP A 42 -5.932 -5.194 -0.053 1.00 -0.15 C ATOM 701 CZ2 TRP A 42 -3.473 -5.286 1.304 1.00 -0.15 C ATOM 702 CZ3 TRP A 42 -5.897 -5.130 1.354 1.00 -0.15 C ATOM 703 CH2 TRP A 42 -4.671 -5.197 2.036 1.00 -0.15 C ATOM 0 H TRP A 42 -4.175 -6.903 -5.160 1.00 -0.73 H new ATOM 0 HA TRP A 42 -5.396 -7.940 -2.793 1.00 0.36 H new ATOM 0 HB2 TRP A 42 -5.144 -5.314 -4.208 1.00 0.18 H new ATOM 0 HB3 TRP A 42 -6.427 -5.476 -3.026 1.00 0.18 H new ATOM 0 HD1 TRP A 42 -2.572 -5.730 -3.244 1.00 -0.30 H new ATOM 0 HE1 TRP A 42 -1.561 -5.392 -0.896 1.00 0.03 H new ATOM 0 HE3 TRP A 42 -6.880 -5.109 -0.563 1.00 -0.15 H new ATOM 0 HZ2 TRP A 42 -2.521 -5.295 1.815 1.00 -0.15 H new ATOM 0 HZ3 TRP A 42 -6.817 -5.029 1.911 1.00 -0.15 H new ATOM 0 HH2 TRP A 42 -4.648 -5.180 3.116 1.00 -0.15 H new ATOM 714 N GLY A 43 -7.452 -7.183 -5.295 1.00 -0.73 N ATOM 715 CA GLY A 43 -8.767 -7.408 -5.881 1.00 0.36 C ATOM 716 C GLY A 43 -8.978 -8.841 -6.385 1.00 0.57 C ATOM 717 O GLY A 43 -10.073 -9.181 -6.827 1.00 -0.57 O ATOM 0 H GLY A 43 -6.861 -6.578 -5.866 1.00 -0.73 H new ATOM 0 HA2 GLY A 43 -9.531 -7.177 -5.138 1.00 0.36 H new ATOM 0 HA3 GLY A 43 -8.909 -6.715 -6.711 1.00 0.36 H new ATOM 721 N LYS A 44 -7.955 -9.700 -6.324 1.00 -0.73 N ATOM 722 CA LYS A 44 -8.084 -11.118 -6.635 1.00 0.36 C ATOM 723 C LYS A 44 -8.921 -11.823 -5.566 1.00 0.57 C ATOM 724 O LYS A 44 -9.546 -12.828 -5.892 1.00 -0.57 O ATOM 725 CB LYS A 44 -6.702 -11.795 -6.773 1.00 0.00 C ATOM 726 CG LYS A 44 -6.503 -12.528 -8.112 1.00 0.00 C ATOM 727 CD LYS A 44 -5.863 -11.641 -9.191 1.00 0.00 C ATOM 728 CE LYS A 44 -5.657 -12.386 -10.518 1.00 0.50 C ATOM 729 NZ LYS A 44 -4.587 -13.408 -10.456 1.00 -0.85 N ATOM 0 H LYS A 44 -7.011 -9.424 -6.055 1.00 -0.73 H new ATOM 0 HA LYS A 44 -8.593 -11.204 -7.595 1.00 0.36 H new ATOM 0 HB2 LYS A 44 -5.924 -11.039 -6.664 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.572 -12.506 -5.957 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.876 -13.405 -7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.468 -12.888 -8.470 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.494 -10.769 -9.362 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.902 -11.273 -8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.592 -12.866 -10.806 1.00 0.50 H new ATOM 0 HE3 LYS A 44 -5.416 -11.664 -11.298 1.00 0.50 H new ATOM 0 HZ1 LYS A 44 -4.498 -13.874 -11.381 1.00 -0.85 H new ATOM 0 HZ2 LYS A 44 -3.685 -12.952 -10.210 1.00 -0.85 H new ATOM 0 HZ3 LYS A 44 -4.825 -14.117 -9.733 1.00 -0.85 H new ATOM 743 N GLU A 45 -8.950 -11.286 -4.335 1.00 -0.73 N ATOM 744 CA GLU A 45 -9.650 -11.878 -3.196 1.00 0.36 C ATOM 745 C GLU A 45 -10.880 -11.046 -2.794 1.00 0.57 C ATOM 746 O GLU A 45 -11.720 -11.552 -2.052 1.00 -0.57 O ATOM 747 CB GLU A 45 -8.695 -11.966 -1.992 1.00 0.00 C ATOM 748 CG GLU A 45 -7.473 -12.892 -2.134 1.00 0.06 C ATOM 749 CD GLU A 45 -7.775 -14.405 -2.170 1.00 0.66 C ATOM 750 OE1 GLU A 45 -8.721 -14.852 -1.542 1.00 -0.57 O ATOM 751 OE2 GLU A 45 -6.934 -15.173 -2.857 1.00 -0.65 O ATOM 0 H GLU A 45 -8.477 -10.412 -4.105 1.00 -0.73 H new ATOM 0 HA GLU A 45 -9.985 -12.872 -3.492 1.00 0.36 H new ATOM 0 HB2 GLU A 45 -8.335 -10.961 -1.772 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.270 -12.295 -1.127 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.943 -12.625 -3.048 1.00 0.06 H new ATOM 0 HG3 GLU A 45 -6.794 -12.696 -1.304 1.00 0.06 H new ATOM 759 N ILE A 46 -11.008 -9.790 -3.255 1.00 -0.73 N ATOM 760 CA ILE A 46 -12.144 -8.924 -2.925 1.00 0.36 C ATOM 761 C ILE A 46 -12.691 -8.299 -4.211 1.00 0.57 C ATOM 762 O ILE A 46 -11.907 -7.861 -5.045 1.00 -0.57 O ATOM 763 CB ILE A 46 -11.779 -7.849 -1.866 1.00 0.00 C ATOM 764 CG1 ILE A 46 -10.647 -6.872 -2.275 1.00 0.00 C ATOM 765 CG2 ILE A 46 -11.462 -8.589 -0.557 1.00 0.00 C ATOM 766 CD1 ILE A 46 -10.445 -5.684 -1.322 1.00 0.00 C ATOM 0 H ILE A 46 -10.323 -9.349 -3.868 1.00 -0.73 H new ATOM 0 HA ILE A 46 -12.924 -9.533 -2.468 1.00 0.36 H new ATOM 0 HB ILE A 46 -12.636 -7.185 -1.751 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.712 -7.429 -2.342 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.861 -6.487 -3.272 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.200 -7.866 0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.336 -9.158 -0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.625 -9.269 -0.717 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.633 -5.057 -1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.362 -5.098 -1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.196 -6.054 -0.327 1.00 0.00 H new ATOM 778 N PRO A 47 -14.021 -8.164 -4.373 1.00 -0.66 N ATOM 779 CA PRO A 47 -14.615 -7.571 -5.570 1.00 0.36 C ATOM 780 C PRO A 47 -14.423 -6.046 -5.643 1.00 0.57 C ATOM 781 O PRO A 47 -15.021 -5.381 -6.487 1.00 -0.57 O ATOM 782 CB PRO A 47 -16.092 -7.978 -5.523 1.00 0.00 C ATOM 783 CG PRO A 47 -16.389 -8.171 -4.035 1.00 0.00 C ATOM 784 CD PRO A 47 -15.043 -8.525 -3.404 1.00 0.30 C ATOM 0 HA PRO A 47 -14.127 -7.932 -6.475 1.00 0.36 H new ATOM 0 HB2 PRO A 47 -16.730 -7.209 -5.958 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -16.269 -8.895 -6.085 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -16.805 -7.264 -3.595 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -17.119 -8.965 -3.878 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -14.899 -7.983 -2.469 1.00 0.30 H new ATOM 0 HD3 PRO A 47 -14.994 -9.588 -3.167 1.00 0.30 H new ATOM 792 N LEU A 48 -13.609 -5.477 -4.752 1.00 -0.73 N ATOM 793 CA LEU A 48 -13.314 -4.063 -4.681 1.00 0.36 C ATOM 794 C LEU A 48 -12.431 -3.695 -5.874 1.00 0.57 C ATOM 795 O LEU A 48 -11.491 -4.419 -6.204 1.00 -0.57 O ATOM 796 CB LEU A 48 -12.646 -3.800 -3.326 1.00 0.00 C ATOM 797 CG LEU A 48 -13.090 -2.486 -2.671 1.00 0.00 C ATOM 798 CD1 LEU A 48 -12.800 -2.538 -1.170 1.00 0.00 C ATOM 799 CD2 LEU A 48 -12.397 -1.276 -3.279 1.00 0.00 C ATOM 0 H LEU A 48 -13.123 -6.018 -4.037 1.00 -0.73 H new ATOM 0 HA LEU A 48 -14.206 -3.439 -4.741 1.00 0.36 H new ATOM 0 HB2 LEU A 48 -12.871 -4.627 -2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.564 -3.783 -3.460 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.160 -2.377 -2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.116 -1.604 -0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.346 -3.368 -0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.731 -2.679 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.744 -0.370 -2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.319 -1.371 -3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.631 -1.219 -4.342 1.00 0.00 H new ATOM 811 N HIS A 49 -12.758 -2.583 -6.532 1.00 -0.73 N ATOM 812 CA HIS A 49 -12.118 -2.141 -7.765 1.00 0.36 C ATOM 813 C HIS A 49 -11.596 -0.712 -7.591 1.00 0.57 C ATOM 814 O HIS A 49 -11.745 -0.092 -6.535 1.00 -0.57 O ATOM 815 CB HIS A 49 -13.119 -2.251 -8.935 1.00 0.17 C ATOM 816 CG HIS A 49 -13.318 -3.632 -9.504 1.00 0.18 C ATOM 817 ND1 HIS A 49 -13.702 -4.773 -8.836 1.00 -0.70 N ATOM 818 CD2 HIS A 49 -13.261 -3.953 -10.834 1.00 0.20 C ATOM 819 CE1 HIS A 49 -13.852 -5.753 -9.742 1.00 0.65 C ATOM 820 NE2 HIS A 49 -13.635 -5.286 -10.984 1.00 -0.70 N ATOM 0 H HIS A 49 -13.493 -1.952 -6.213 1.00 -0.73 H new ATOM 0 HA HIS A 49 -11.265 -2.779 -7.995 1.00 0.36 H new ATOM 0 HB2 HIS A 49 -14.085 -1.876 -8.598 1.00 0.17 H new ATOM 0 HB3 HIS A 49 -12.784 -1.593 -9.737 1.00 0.17 H new ATOM 0 HD1 HIS A 49 -13.847 -4.859 -7.830 1.00 -0.70 H new ATOM 0 HD2 HIS A 49 -12.974 -3.285 -11.632 1.00 0.20 H new ATOM 0 HE1 HIS A 49 -14.111 -6.775 -9.506 1.00 0.65 H new ATOM 829 N PHE A 50 -10.987 -0.172 -8.648 1.00 -0.73 N ATOM 830 CA PHE A 50 -10.278 1.091 -8.596 1.00 0.36 C ATOM 831 C PHE A 50 -10.495 1.846 -9.917 1.00 0.57 C ATOM 832 O PHE A 50 -10.778 1.231 -10.949 1.00 -0.57 O ATOM 833 CB PHE A 50 -8.786 0.839 -8.291 1.00 0.14 C ATOM 834 CG PHE A 50 -8.457 -0.424 -7.511 1.00 -0.14 C ATOM 835 CD1 PHE A 50 -8.310 -1.644 -8.201 1.00 -0.15 C ATOM 836 CD2 PHE A 50 -8.315 -0.392 -6.111 1.00 -0.15 C ATOM 837 CE1 PHE A 50 -8.054 -2.831 -7.497 1.00 -0.15 C ATOM 838 CE2 PHE A 50 -8.026 -1.576 -5.411 1.00 -0.15 C ATOM 839 CZ PHE A 50 -7.898 -2.797 -6.100 1.00 -0.15 C ATOM 0 H PHE A 50 -10.977 -0.610 -9.569 1.00 -0.73 H new ATOM 0 HA PHE A 50 -10.665 1.717 -7.792 1.00 0.36 H new ATOM 0 HB2 PHE A 50 -8.245 0.806 -9.237 1.00 0.14 H new ATOM 0 HB3 PHE A 50 -8.403 1.694 -7.734 1.00 0.14 H new ATOM 0 HD1 PHE A 50 -8.395 -1.666 -9.277 1.00 -0.15 H new ATOM 0 HD2 PHE A 50 -8.428 0.540 -5.576 1.00 -0.15 H new ATOM 0 HE1 PHE A 50 -7.977 -3.769 -8.027 1.00 -0.15 H new ATOM 0 HE2 PHE A 50 -7.901 -1.549 -4.339 1.00 -0.15 H new ATOM 0 HZ PHE A 50 -7.681 -3.705 -5.557 1.00 -0.15 H new ATOM 849 N ARG A 51 -10.335 3.175 -9.890 1.00 -0.73 N ATOM 850 CA ARG A 51 -10.461 4.066 -11.043 1.00 0.36 C ATOM 851 C ARG A 51 -9.356 5.113 -11.019 1.00 0.57 C ATOM 852 O ARG A 51 -8.897 5.511 -9.951 1.00 -0.57 O ATOM 853 CB ARG A 51 -11.814 4.806 -11.018 1.00 0.00 C ATOM 854 CG ARG A 51 -12.734 4.440 -12.192 1.00 0.00 C ATOM 855 CD ARG A 51 -13.726 3.331 -11.832 1.00 0.33 C ATOM 856 NE ARG A 51 -13.439 2.048 -12.498 1.00 -0.84 N ATOM 857 CZ ARG A 51 -14.324 1.049 -12.652 1.00 1.20 C ATOM 858 NH1 ARG A 51 -15.525 1.118 -12.068 1.00 -0.97 N ATOM 859 NH2 ARG A 51 -14.008 -0.029 -13.373 1.00 -0.97 N ATOM 0 H ARG A 51 -10.106 3.675 -9.031 1.00 -0.73 H new ATOM 0 HA ARG A 51 -10.389 3.454 -11.942 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -12.325 4.581 -10.082 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.632 5.881 -11.031 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.283 5.326 -12.510 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.128 4.120 -13.039 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.716 3.181 -10.752 1.00 0.33 H new ATOM 0 HD3 ARG A 51 -14.732 3.653 -12.100 1.00 0.33 H new ATOM 0 HE ARG A 51 -12.499 1.908 -12.869 1.00 -0.84 H new ATOM 0 HH11 ARG A 51 -15.772 1.931 -11.503 1.00 -0.97 H new ATOM 0 HH12 ARG A 51 -16.194 0.358 -12.187 1.00 -0.97 H new ATOM 0 HH21 ARG A 51 -13.090 -0.098 -13.811 1.00 -0.97 H new ATOM 0 HH22 ARG A 51 -14.685 -0.784 -13.486 1.00 -0.97 H new ATOM 873 N LYS A 52 -9.014 5.631 -12.201 1.00 -0.73 N ATOM 874 CA LYS A 52 -7.960 6.615 -12.368 1.00 0.36 C ATOM 875 C LYS A 52 -8.596 7.912 -12.844 1.00 0.57 C ATOM 876 O LYS A 52 -9.093 7.982 -13.969 1.00 -0.57 O ATOM 877 CB LYS A 52 -6.911 6.082 -13.351 1.00 0.00 C ATOM 878 CG LYS A 52 -5.537 6.663 -13.012 1.00 0.00 C ATOM 879 CD LYS A 52 -4.469 6.174 -13.995 1.00 0.00 C ATOM 880 CE LYS A 52 -4.158 7.244 -15.042 1.00 0.50 C ATOM 881 NZ LYS A 52 -3.346 6.706 -16.154 1.00 -0.85 N ATOM 0 H LYS A 52 -9.471 5.371 -13.075 1.00 -0.73 H new ATOM 0 HA LYS A 52 -7.444 6.809 -11.427 1.00 0.36 H new ATOM 0 HB2 LYS A 52 -6.877 4.994 -13.305 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.187 6.349 -14.371 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.584 7.752 -13.035 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.259 6.377 -11.998 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.560 5.917 -13.452 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.813 5.265 -14.489 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.090 7.649 -15.436 1.00 0.50 H new ATOM 0 HE3 LYS A 52 -3.626 8.070 -14.570 1.00 0.50 H new ATOM 0 HZ1 LYS A 52 -3.156 7.462 -16.843 1.00 -0.85 H new ATOM 0 HZ2 LYS A 52 -2.445 6.343 -15.782 1.00 -0.85 H new ATOM 0 HZ3 LYS A 52 -3.864 5.934 -16.621 1.00 -0.85 H new ATOM 895 N VAL A 53 -8.622 8.912 -11.966 1.00 -0.73 N ATOM 896 CA VAL A 53 -9.149 10.232 -12.295 1.00 0.36 C ATOM 897 C VAL A 53 -8.143 10.979 -13.176 1.00 0.57 C ATOM 898 O VAL A 53 -6.955 10.645 -13.202 1.00 -0.57 O ATOM 899 CB VAL A 53 -9.504 11.015 -11.012 1.00 0.00 C ATOM 900 CG1 VAL A 53 -10.557 10.248 -10.196 1.00 0.00 C ATOM 901 CG2 VAL A 53 -8.283 11.310 -10.128 1.00 0.00 C ATOM 0 H VAL A 53 -8.279 8.829 -11.009 1.00 -0.73 H new ATOM 0 HA VAL A 53 -10.075 10.126 -12.860 1.00 0.36 H new ATOM 0 HB VAL A 53 -9.905 11.975 -11.337 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.799 10.810 -9.294 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.458 10.118 -10.795 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.162 9.271 -9.919 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.599 11.862 -9.243 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.819 10.372 -9.824 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.563 11.906 -10.689 1.00 0.00 H new ATOM 911 N VAL A 54 -8.616 12.015 -13.878 1.00 -0.73 N ATOM 912 CA VAL A 54 -7.767 12.849 -14.721 1.00 0.36 C ATOM 913 C VAL A 54 -6.689 13.545 -13.878 1.00 0.57 C ATOM 914 O VAL A 54 -5.504 13.386 -14.181 1.00 -0.57 O ATOM 915 CB VAL A 54 -8.622 13.825 -15.569 1.00 0.00 C ATOM 916 CG1 VAL A 54 -9.475 13.030 -16.567 1.00 0.00 C ATOM 917 CG2 VAL A 54 -9.561 14.744 -14.762 1.00 0.00 C ATOM 0 H VAL A 54 -9.597 12.294 -13.875 1.00 -0.73 H new ATOM 0 HA VAL A 54 -7.236 12.220 -15.435 1.00 0.36 H new ATOM 0 HB VAL A 54 -7.900 14.475 -16.064 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -10.075 13.718 -17.162 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.824 12.455 -17.225 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.133 12.351 -16.024 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -10.115 15.388 -15.445 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.261 14.136 -14.189 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.972 15.358 -14.081 1.00 0.00 H new ATOM 927 N TRP A 55 -7.111 14.249 -12.808 1.00 -0.73 N ATOM 928 CA TRP A 55 -6.305 15.115 -11.939 1.00 0.36 C ATOM 929 C TRP A 55 -7.189 16.013 -11.048 1.00 0.57 C ATOM 930 O TRP A 55 -7.093 17.238 -11.110 1.00 -0.57 O ATOM 931 CB TRP A 55 -5.251 15.927 -12.724 1.00 0.18 C ATOM 932 CG TRP A 55 -5.662 16.529 -14.035 1.00 -0.18 C ATOM 933 CD1 TRP A 55 -6.794 17.221 -14.288 1.00 -0.30 C ATOM 934 CD2 TRP A 55 -4.928 16.495 -15.296 1.00 0.00 C ATOM 935 NE1 TRP A 55 -6.826 17.597 -15.614 1.00 0.03 N ATOM 936 CE2 TRP A 55 -5.695 17.180 -16.284 1.00 -0.15 C ATOM 937 CE3 TRP A 55 -3.686 15.962 -15.699 1.00 -0.15 C ATOM 938 CZ2 TRP A 55 -5.253 17.325 -17.606 1.00 -0.15 C ATOM 939 CZ3 TRP A 55 -3.225 16.113 -17.021 1.00 -0.15 C ATOM 940 CH2 TRP A 55 -4.008 16.792 -17.971 1.00 -0.15 C ATOM 0 H TRP A 55 -8.087 14.223 -12.513 1.00 -0.73 H new ATOM 0 HA TRP A 55 -5.746 14.457 -11.274 1.00 0.36 H new ATOM 0 HB2 TRP A 55 -4.903 16.734 -12.080 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -4.397 15.276 -12.908 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -7.560 17.446 -13.560 1.00 -0.30 H new ATOM 0 HE1 TRP A 55 -7.590 18.118 -16.045 1.00 0.03 H new ATOM 0 HE3 TRP A 55 -3.079 15.429 -14.982 1.00 -0.15 H new ATOM 0 HZ2 TRP A 55 -5.863 17.840 -18.334 1.00 -0.15 H new ATOM 0 HZ3 TRP A 55 -2.266 15.706 -17.306 1.00 -0.15 H new ATOM 0 HH2 TRP A 55 -3.650 16.903 -18.984 1.00 -0.15 H new ATOM 951 N GLY A 56 -8.073 15.436 -10.223 1.00 -0.73 N ATOM 952 CA GLY A 56 -9.055 16.222 -9.463 1.00 0.36 C ATOM 953 C GLY A 56 -9.213 15.767 -8.018 1.00 0.57 C ATOM 954 O GLY A 56 -10.336 15.753 -7.525 1.00 -0.57 O ATOM 0 H GLY A 56 -8.129 14.430 -10.065 1.00 -0.73 H new ATOM 0 HA2 GLY A 56 -8.756 17.270 -9.475 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -10.022 16.161 -9.962 1.00 0.36 H new ATOM 958 N THR A 57 -8.093 15.396 -7.376 1.00 -0.73 N ATOM 959 CA THR A 57 -8.013 14.724 -6.075 1.00 0.36 C ATOM 960 C THR A 57 -8.636 13.319 -6.161 1.00 0.57 C ATOM 961 O THR A 57 -9.610 13.085 -6.876 1.00 -0.57 O ATOM 962 CB THR A 57 -8.569 15.642 -4.960 1.00 0.28 C ATOM 963 OG1 THR A 57 -7.697 16.755 -4.822 1.00 -0.68 O ATOM 964 CG2 THR A 57 -8.681 14.999 -3.575 1.00 0.00 C ATOM 0 H THR A 57 -7.170 15.568 -7.775 1.00 -0.73 H new ATOM 0 HA THR A 57 -6.975 14.548 -5.793 1.00 0.36 H new ATOM 0 HB THR A 57 -9.580 15.900 -5.276 1.00 0.28 H new ATOM 0 HG1 THR A 57 -8.034 17.350 -4.120 1.00 -0.68 H new ATOM 0 HG21 THR A 57 -9.081 15.726 -2.868 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.348 14.138 -3.626 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.695 14.675 -3.244 1.00 0.00 H new ATOM 972 N ALA A 58 -8.035 12.353 -5.465 1.00 -0.73 N ATOM 973 CA ALA A 58 -8.488 10.974 -5.469 1.00 0.36 C ATOM 974 C ALA A 58 -8.444 10.426 -4.049 1.00 0.57 C ATOM 975 O ALA A 58 -7.871 11.030 -3.136 1.00 -0.57 O ATOM 976 CB ALA A 58 -7.623 10.144 -6.420 1.00 0.00 C ATOM 0 H ALA A 58 -7.215 12.514 -4.880 1.00 -0.73 H new ATOM 0 HA ALA A 58 -9.517 10.920 -5.825 1.00 0.36 H new ATOM 0 HB1 ALA A 58 -7.969 9.110 -6.418 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.699 10.550 -7.429 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.584 10.180 -6.092 1.00 0.00 H new ATOM 982 N ASP A 59 -9.065 9.266 -3.886 1.00 -0.73 N ATOM 983 CA ASP A 59 -9.123 8.564 -2.620 1.00 0.36 C ATOM 984 C ASP A 59 -7.703 8.121 -2.242 1.00 0.57 C ATOM 985 O ASP A 59 -7.268 8.394 -1.128 1.00 -0.57 O ATOM 986 CB ASP A 59 -10.104 7.395 -2.755 1.00 0.06 C ATOM 987 CG ASP A 59 -11.528 7.821 -3.136 1.00 0.66 C ATOM 988 OD1 ASP A 59 -11.967 7.339 -4.167 1.00 -0.57 O ATOM 989 OD2 ASP A 59 -12.168 8.765 -2.451 1.00 -0.65 O ATOM 0 H ASP A 59 -9.548 8.783 -4.643 1.00 -0.73 H new ATOM 0 HA ASP A 59 -9.488 9.202 -1.815 1.00 0.36 H new ATOM 0 HB2 ASP A 59 -9.728 6.703 -3.509 1.00 0.06 H new ATOM 0 HB3 ASP A 59 -10.138 6.851 -1.811 1.00 0.06 H new ATOM 995 N ILE A 60 -6.943 7.564 -3.192 1.00 -0.73 N ATOM 996 CA ILE A 60 -5.582 7.063 -3.020 1.00 0.36 C ATOM 997 C ILE A 60 -4.644 7.976 -3.825 1.00 0.57 C ATOM 998 O ILE A 60 -4.284 7.693 -4.973 1.00 -0.57 O ATOM 999 CB ILE A 60 -5.491 5.581 -3.454 1.00 0.00 C ATOM 1000 CG1 ILE A 60 -6.473 4.653 -2.709 1.00 0.00 C ATOM 1001 CG2 ILE A 60 -4.060 5.051 -3.253 1.00 0.00 C ATOM 1002 CD1 ILE A 60 -6.854 3.410 -3.522 1.00 0.00 C ATOM 0 H ILE A 60 -7.281 7.446 -4.147 1.00 -0.73 H new ATOM 0 HA ILE A 60 -5.283 7.087 -1.972 1.00 0.36 H new ATOM 0 HB ILE A 60 -5.767 5.567 -4.508 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.025 4.341 -1.766 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.377 5.211 -2.463 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.012 4.007 -3.563 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.366 5.640 -3.853 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.787 5.130 -2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.546 2.796 -2.946 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.330 3.716 -4.454 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.957 2.832 -3.745 1.00 0.00 H new ATOM 1014 N MET A 61 -4.276 9.113 -3.243 1.00 -0.73 N ATOM 1015 CA MET A 61 -3.223 9.966 -3.751 1.00 0.36 C ATOM 1016 C MET A 61 -1.883 9.346 -3.361 1.00 0.57 C ATOM 1017 O MET A 61 -1.583 9.222 -2.174 1.00 -0.57 O ATOM 1018 CB MET A 61 -3.366 11.393 -3.209 1.00 0.00 C ATOM 1019 CG MET A 61 -2.262 12.328 -3.693 1.00 0.23 C ATOM 1020 SD MET A 61 -1.227 12.993 -2.355 1.00 -0.46 S ATOM 1021 CE MET A 61 -2.301 14.361 -1.843 1.00 0.23 C ATOM 0 H MET A 61 -4.712 9.468 -2.392 1.00 -0.73 H new ATOM 0 HA MET A 61 -3.287 10.039 -4.837 1.00 0.36 H new ATOM 0 HB2 MET A 61 -4.333 11.795 -3.511 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.359 11.364 -2.119 1.00 0.00 H new ATOM 0 HG2 MET A 61 -1.627 11.792 -4.398 1.00 0.23 H new ATOM 0 HG3 MET A 61 -2.714 13.157 -4.237 1.00 0.23 H new ATOM 0 HE1 MET A 61 -1.835 14.901 -1.019 1.00 0.23 H new ATOM 0 HE2 MET A 61 -2.451 15.040 -2.683 1.00 0.23 H new ATOM 0 HE3 MET A 61 -3.264 13.966 -1.520 1.00 0.23 H new ATOM 1031 N ILE A 62 -1.068 8.988 -4.351 1.00 -0.73 N ATOM 1032 CA ILE A 62 0.296 8.522 -4.127 1.00 0.36 C ATOM 1033 C ILE A 62 1.204 9.690 -4.516 1.00 0.57 C ATOM 1034 O ILE A 62 1.036 10.263 -5.592 1.00 -0.57 O ATOM 1035 CB ILE A 62 0.555 7.235 -4.947 1.00 0.00 C ATOM 1036 CG1 ILE A 62 -0.376 6.072 -4.516 1.00 0.00 C ATOM 1037 CG2 ILE A 62 2.014 6.771 -4.827 1.00 0.00 C ATOM 1038 CD1 ILE A 62 -1.263 5.592 -5.669 1.00 0.00 C ATOM 0 H ILE A 62 -1.338 9.014 -5.334 1.00 -0.73 H new ATOM 0 HA ILE A 62 0.488 8.244 -3.091 1.00 0.36 H new ATOM 0 HB ILE A 62 0.341 7.493 -5.984 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.227 5.240 -4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.004 6.398 -3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.157 5.865 -5.416 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.676 7.553 -5.198 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.245 6.565 -3.782 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.899 4.777 -5.324 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.886 6.416 -6.016 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.636 5.241 -6.488 1.00 0.00 H new ATOM 1050 N GLY A 63 2.161 10.060 -3.662 1.00 -0.73 N ATOM 1051 CA GLY A 63 3.107 11.123 -3.976 1.00 0.36 C ATOM 1052 C GLY A 63 4.470 10.855 -3.356 1.00 0.57 C ATOM 1053 O GLY A 63 4.594 10.070 -2.423 1.00 -0.57 O ATOM 0 H GLY A 63 2.298 9.635 -2.745 1.00 -0.73 H new ATOM 0 HA2 GLY A 63 3.209 11.213 -5.057 1.00 0.36 H new ATOM 0 HA3 GLY A 63 2.721 12.075 -3.612 1.00 0.36 H new ATOM 1057 N PHE A 64 5.503 11.523 -3.860 1.00 -0.73 N ATOM 1058 CA PHE A 64 6.876 11.307 -3.433 1.00 0.36 C ATOM 1059 C PHE A 64 7.479 12.682 -3.169 1.00 0.57 C ATOM 1060 O PHE A 64 7.144 13.665 -3.851 1.00 -0.57 O ATOM 1061 CB PHE A 64 7.693 10.485 -4.455 1.00 0.14 C ATOM 1062 CG PHE A 64 7.044 9.199 -4.946 1.00 -0.14 C ATOM 1063 CD1 PHE A 64 5.884 9.278 -5.722 1.00 -0.15 C ATOM 1064 CD2 PHE A 64 7.555 7.930 -4.608 1.00 -0.15 C ATOM 1065 CE1 PHE A 64 5.151 8.133 -6.052 1.00 -0.15 C ATOM 1066 CE2 PHE A 64 6.804 6.775 -4.903 1.00 -0.15 C ATOM 1067 CZ PHE A 64 5.583 6.887 -5.588 1.00 -0.15 C ATOM 0 H PHE A 64 5.407 12.236 -4.583 1.00 -0.73 H new ATOM 0 HA PHE A 64 6.899 10.705 -2.525 1.00 0.36 H new ATOM 0 HB2 PHE A 64 7.899 11.117 -5.318 1.00 0.14 H new ATOM 0 HB3 PHE A 64 8.654 10.235 -4.006 1.00 0.14 H new ATOM 0 HD1 PHE A 64 5.547 10.242 -6.074 1.00 -0.15 H new ATOM 0 HD2 PHE A 64 8.517 7.843 -4.125 1.00 -0.15 H new ATOM 0 HE1 PHE A 64 4.261 8.211 -6.659 1.00 -0.15 H new ATOM 0 HE2 PHE A 64 7.167 5.803 -4.602 1.00 -0.15 H new ATOM 0 HZ PHE A 64 4.977 6.009 -5.757 1.00 -0.15 H new ATOM 1077 N ALA A 65 8.321 12.735 -2.140 1.00 -0.73 N ATOM 1078 CA ALA A 65 8.982 13.933 -1.654 1.00 0.36 C ATOM 1079 C ALA A 65 10.396 13.578 -1.204 1.00 0.57 C ATOM 1080 O ALA A 65 10.811 12.428 -1.289 1.00 -0.57 O ATOM 1081 CB ALA A 65 8.166 14.522 -0.502 1.00 0.00 C ATOM 0 H ALA A 65 8.569 11.905 -1.602 1.00 -0.73 H new ATOM 0 HA ALA A 65 9.051 14.679 -2.445 1.00 0.36 H new ATOM 0 HB1 ALA A 65 8.656 15.422 -0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.166 14.773 -0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.093 13.791 0.303 1.00 0.00 H new ATOM 1087 N ARG A 66 11.155 14.565 -0.725 1.00 -0.73 N ATOM 1088 CA ARG A 66 12.577 14.410 -0.432 1.00 0.36 C ATOM 1089 C ARG A 66 12.916 15.174 0.850 1.00 0.57 C ATOM 1090 O ARG A 66 13.705 16.115 0.819 1.00 -0.57 O ATOM 1091 CB ARG A 66 13.418 14.814 -1.662 1.00 0.00 C ATOM 1092 CG ARG A 66 13.056 16.211 -2.206 1.00 0.00 C ATOM 1093 CD ARG A 66 14.200 16.827 -3.019 1.00 0.33 C ATOM 1094 NE ARG A 66 14.104 18.299 -3.035 1.00 -0.84 N ATOM 1095 CZ ARG A 66 14.467 19.111 -2.025 1.00 1.20 C ATOM 1096 NH1 ARG A 66 14.917 18.610 -0.866 1.00 -0.97 N ATOM 1097 NH2 ARG A 66 14.377 20.435 -2.202 1.00 -0.97 N ATOM 0 H ARG A 66 10.796 15.499 -0.529 1.00 -0.73 H new ATOM 0 HA ARG A 66 12.827 13.367 -0.240 1.00 0.36 H new ATOM 0 HB2 ARG A 66 14.475 14.797 -1.395 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.277 14.075 -2.451 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.166 16.137 -2.831 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.807 16.870 -1.374 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.157 16.526 -2.593 1.00 0.33 H new ATOM 0 HD3 ARG A 66 14.172 16.446 -4.040 1.00 0.33 H new ATOM 0 HE ARG A 66 13.733 18.736 -3.879 1.00 -0.84 H new ATOM 0 HH11 ARG A 66 14.988 17.600 -0.740 1.00 -0.97 H new ATOM 0 HH12 ARG A 66 15.188 19.238 -0.110 1.00 -0.97 H new ATOM 0 HH21 ARG A 66 14.039 20.809 -3.089 1.00 -0.97 H new ATOM 0 HH22 ARG A 66 14.647 21.070 -1.450 1.00 -0.97 H new ATOM 1111 N GLY A 67 12.230 14.831 1.949 1.00 -0.73 N ATOM 1112 CA GLY A 67 12.503 15.340 3.290 1.00 0.36 C ATOM 1113 C GLY A 67 11.263 15.969 3.924 1.00 0.57 C ATOM 1114 O GLY A 67 10.785 15.503 4.956 1.00 -0.57 O ATOM 0 H GLY A 67 11.450 14.174 1.924 1.00 -0.73 H new ATOM 0 HA2 GLY A 67 12.861 14.527 3.921 1.00 0.36 H new ATOM 0 HA3 GLY A 67 13.301 16.081 3.242 1.00 0.36 H new ATOM 1118 N ALA A 68 10.690 16.990 3.279 1.00 -0.73 N ATOM 1119 CA ALA A 68 9.478 17.660 3.739 1.00 0.36 C ATOM 1120 C ALA A 68 8.472 17.722 2.595 1.00 0.57 C ATOM 1121 O ALA A 68 8.850 17.665 1.422 1.00 -0.57 O ATOM 1122 CB ALA A 68 9.811 19.060 4.268 1.00 0.00 C ATOM 0 H ALA A 68 11.063 17.376 2.412 1.00 -0.73 H new ATOM 0 HA ALA A 68 9.036 17.096 4.560 1.00 0.36 H new ATOM 0 HB1 ALA A 68 8.897 19.548 4.608 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.509 18.978 5.101 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.264 19.652 3.472 1.00 0.00 H new ATOM 1128 N HIS A 69 7.189 17.813 2.952 1.00 -0.73 N ATOM 1129 CA HIS A 69 6.085 17.843 2.012 1.00 0.36 C ATOM 1130 C HIS A 69 4.875 18.489 2.682 1.00 0.57 C ATOM 1131 O HIS A 69 4.679 18.354 3.894 1.00 -0.57 O ATOM 1132 CB HIS A 69 5.778 16.427 1.484 1.00 0.17 C ATOM 1133 CG HIS A 69 5.562 15.308 2.486 1.00 0.18 C ATOM 1134 ND1 HIS A 69 6.373 14.945 3.541 1.00 -0.70 N ATOM 1135 CD2 HIS A 69 4.570 14.368 2.421 1.00 0.20 C ATOM 1136 CE1 HIS A 69 5.841 13.853 4.120 1.00 0.65 C ATOM 1137 NE2 HIS A 69 4.738 13.455 3.464 1.00 -0.70 N ATOM 0 H HIS A 69 6.891 17.869 3.926 1.00 -0.73 H new ATOM 0 HA HIS A 69 6.354 18.444 1.144 1.00 0.36 H new ATOM 0 HB2 HIS A 69 4.885 16.492 0.863 1.00 0.17 H new ATOM 0 HB3 HIS A 69 6.599 16.132 0.831 1.00 0.17 H new ATOM 0 HD2 HIS A 69 3.783 14.337 1.682 1.00 0.20 H new ATOM 0 HE1 HIS A 69 6.246 13.363 4.993 1.00 0.65 H new ATOM 0 HE2 HIS A 69 4.147 12.653 3.682 1.00 -0.70 H new ATOM 1146 N GLY A 70 4.069 19.194 1.882 1.00 -0.73 N ATOM 1147 CA GLY A 70 2.841 19.847 2.306 1.00 0.36 C ATOM 1148 C GLY A 70 1.752 18.802 2.491 1.00 0.57 C ATOM 1149 O GLY A 70 0.894 18.632 1.627 1.00 -0.57 O ATOM 0 H GLY A 70 4.266 19.326 0.890 1.00 -0.73 H new ATOM 0 HA2 GLY A 70 3.006 20.386 3.239 1.00 0.36 H new ATOM 0 HA3 GLY A 70 2.532 20.583 1.563 1.00 0.36 H new ATOM 1153 N ASP A 71 1.863 18.051 3.585 1.00 -0.73 N ATOM 1154 CA ASP A 71 0.998 16.939 3.939 1.00 0.36 C ATOM 1155 C ASP A 71 0.503 17.188 5.367 1.00 0.57 C ATOM 1156 O ASP A 71 -0.455 17.936 5.574 1.00 -0.57 O ATOM 1157 CB ASP A 71 1.815 15.648 3.753 1.00 0.06 C ATOM 1158 CG ASP A 71 1.218 14.457 4.491 1.00 0.66 C ATOM 1159 OD1 ASP A 71 0.108 14.078 4.156 1.00 -0.57 O ATOM 1160 OD2 ASP A 71 1.943 13.928 5.473 1.00 -0.65 O ATOM 0 H ASP A 71 2.594 18.213 4.278 1.00 -0.73 H new ATOM 0 HA ASP A 71 0.112 16.840 3.312 1.00 0.36 H new ATOM 0 HB2 ASP A 71 1.880 15.415 2.690 1.00 0.06 H new ATOM 0 HB3 ASP A 71 2.833 15.814 4.105 1.00 0.06 H new ATOM 1166 N SER A 72 1.210 16.652 6.362 1.00 -0.73 N ATOM 1167 CA SER A 72 0.871 16.757 7.769 1.00 0.36 C ATOM 1168 C SER A 72 2.109 16.505 8.625 1.00 0.57 C ATOM 1169 O SER A 72 2.321 17.225 9.595 1.00 -0.57 O ATOM 1170 CB SER A 72 -0.272 15.786 8.117 1.00 0.28 C ATOM 1171 OG SER A 72 -0.004 14.413 7.873 1.00 -0.68 O ATOM 0 H SER A 72 2.062 16.116 6.198 1.00 -0.73 H new ATOM 0 HA SER A 72 0.519 17.767 7.981 1.00 0.36 H new ATOM 0 HB2 SER A 72 -0.520 15.908 9.171 1.00 0.28 H new ATOM 0 HB3 SER A 72 -1.155 16.073 7.546 1.00 0.28 H new ATOM 0 HG SER A 72 0.515 14.044 8.618 1.00 -0.68 H new ATOM 1177 N TYR A 73 2.967 15.557 8.219 1.00 -0.73 N ATOM 1178 CA TYR A 73 4.153 15.191 8.978 1.00 0.36 C ATOM 1179 C TYR A 73 5.385 15.295 8.082 1.00 0.57 C ATOM 1180 O TYR A 73 5.368 14.758 6.972 1.00 -0.57 O ATOM 1181 CB TYR A 73 3.986 13.768 9.521 1.00 0.14 C ATOM 1182 CG TYR A 73 2.826 13.624 10.491 1.00 -0.14 C ATOM 1183 CD1 TYR A 73 2.875 14.272 11.741 1.00 -0.15 C ATOM 1184 CD2 TYR A 73 1.681 12.890 10.128 1.00 -0.15 C ATOM 1185 CE1 TYR A 73 1.790 14.177 12.632 1.00 -0.15 C ATOM 1186 CE2 TYR A 73 0.593 12.788 11.013 1.00 -0.15 C ATOM 1187 CZ TYR A 73 0.646 13.431 12.271 1.00 0.08 C ATOM 1188 OH TYR A 73 -0.401 13.337 13.141 1.00 -0.53 O ATOM 0 H TYR A 73 2.851 15.028 7.355 1.00 -0.73 H new ATOM 0 HA TYR A 73 4.284 15.871 9.820 1.00 0.36 H new ATOM 0 HB2 TYR A 73 3.838 13.083 8.686 1.00 0.14 H new ATOM 0 HB3 TYR A 73 4.907 13.467 10.021 1.00 0.14 H new ATOM 0 HD1 TYR A 73 3.749 14.844 12.016 1.00 -0.15 H new ATOM 0 HD2 TYR A 73 1.638 12.403 9.165 1.00 -0.15 H new ATOM 0 HE1 TYR A 73 1.832 14.674 13.590 1.00 -0.15 H new ATOM 0 HE2 TYR A 73 -0.281 12.220 10.732 1.00 -0.15 H new ATOM 0 HH TYR A 73 -1.110 12.790 12.742 1.00 -0.53 H new ATOM 1198 N PRO A 74 6.468 15.956 8.536 1.00 -0.66 N ATOM 1199 CA PRO A 74 7.714 15.941 7.804 1.00 0.36 C ATOM 1200 C PRO A 74 8.267 14.518 7.841 1.00 0.57 C ATOM 1201 O PRO A 74 8.234 13.837 8.871 1.00 -0.57 O ATOM 1202 CB PRO A 74 8.628 16.965 8.474 1.00 0.00 C ATOM 1203 CG PRO A 74 8.076 17.117 9.891 1.00 0.00 C ATOM 1204 CD PRO A 74 6.648 16.565 9.843 1.00 0.30 C ATOM 0 HA PRO A 74 7.607 16.213 6.754 1.00 0.36 H new ATOM 0 HB2 PRO A 74 9.663 16.622 8.488 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.614 17.915 7.941 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.684 16.567 10.609 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.081 18.161 10.203 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.492 15.832 10.634 1.00 0.30 H new ATOM 0 HD3 PRO A 74 5.922 17.362 10.000 1.00 0.30 H new ATOM 1212 N PHE A 75 8.754 14.096 6.677 1.00 -0.73 N ATOM 1213 CA PHE A 75 9.478 12.861 6.490 1.00 0.36 C ATOM 1214 C PHE A 75 10.854 12.968 7.183 1.00 0.57 C ATOM 1215 O PHE A 75 11.083 13.719 8.136 1.00 -0.57 O ATOM 1216 CB PHE A 75 9.525 12.559 4.961 1.00 0.14 C ATOM 1217 CG PHE A 75 8.597 11.469 4.452 1.00 -0.14 C ATOM 1218 CD1 PHE A 75 8.389 10.276 5.178 1.00 -0.15 C ATOM 1219 CD2 PHE A 75 7.980 11.630 3.198 1.00 -0.15 C ATOM 1220 CE1 PHE A 75 7.505 9.299 4.695 1.00 -0.15 C ATOM 1221 CE2 PHE A 75 7.107 10.649 2.710 1.00 -0.15 C ATOM 1222 CZ PHE A 75 6.848 9.500 3.475 1.00 -0.15 C ATOM 0 H PHE A 75 8.647 14.629 5.814 1.00 -0.73 H new ATOM 0 HA PHE A 75 8.988 12.008 6.960 1.00 0.36 H new ATOM 0 HB2 PHE A 75 9.295 13.480 4.425 1.00 0.14 H new ATOM 0 HB3 PHE A 75 10.547 12.285 4.699 1.00 0.14 H new ATOM 0 HD1 PHE A 75 8.912 10.115 6.109 1.00 -0.15 H new ATOM 0 HD2 PHE A 75 8.180 12.513 2.609 1.00 -0.15 H new ATOM 0 HE1 PHE A 75 7.332 8.396 5.262 1.00 -0.15 H new ATOM 0 HE2 PHE A 75 6.634 10.776 1.747 1.00 -0.15 H new ATOM 0 HZ PHE A 75 6.138 8.767 3.120 1.00 -0.15 H new ATOM 1232 N ASP A 76 11.763 12.128 6.723 1.00 -0.73 N ATOM 1233 CA ASP A 76 13.078 11.796 7.239 1.00 0.36 C ATOM 1234 C ASP A 76 14.076 11.734 6.069 1.00 0.57 C ATOM 1235 O ASP A 76 15.276 11.900 6.305 1.00 -0.57 O ATOM 1236 CB ASP A 76 12.963 10.383 7.856 1.00 0.06 C ATOM 1237 CG ASP A 76 12.416 9.329 6.878 1.00 0.66 C ATOM 1238 OD1 ASP A 76 11.754 9.679 5.915 1.00 -0.57 O ATOM 1239 OD2 ASP A 76 12.695 8.045 7.087 1.00 -0.65 O ATOM 0 H ASP A 76 11.572 11.597 5.873 1.00 -0.73 H new ATOM 0 HA ASP A 76 13.416 12.533 7.967 1.00 0.36 H new ATOM 0 HB2 ASP A 76 13.946 10.067 8.206 1.00 0.06 H new ATOM 0 HB3 ASP A 76 12.313 10.428 8.730 1.00 0.06 H new ATOM 1245 N GLY A 77 13.624 11.516 4.824 1.00 -0.73 N ATOM 1246 CA GLY A 77 14.493 11.474 3.662 1.00 0.36 C ATOM 1247 C GLY A 77 15.241 10.139 3.613 1.00 0.57 C ATOM 1248 O GLY A 77 14.633 9.113 3.915 1.00 -0.57 O ATOM 0 H GLY A 77 12.639 11.365 4.606 1.00 -0.73 H new ATOM 0 HA2 GLY A 77 13.905 11.604 2.753 1.00 0.36 H new ATOM 0 HA3 GLY A 77 15.206 12.298 3.701 1.00 0.36 H new ATOM 1252 N PRO A 78 16.528 10.118 3.216 1.00 -0.66 N ATOM 1253 CA PRO A 78 17.284 8.900 2.976 1.00 0.36 C ATOM 1254 C PRO A 78 17.616 8.194 4.297 1.00 0.57 C ATOM 1255 O PRO A 78 18.598 8.536 4.963 1.00 -0.57 O ATOM 1256 CB PRO A 78 18.515 9.328 2.167 1.00 0.00 C ATOM 1257 CG PRO A 78 18.735 10.790 2.548 1.00 0.00 C ATOM 1258 CD PRO A 78 17.366 11.285 3.015 1.00 0.30 C ATOM 0 HA PRO A 78 16.720 8.157 2.412 1.00 0.36 H new ATOM 0 HB2 PRO A 78 19.384 8.718 2.415 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.344 9.219 1.096 1.00 0.00 H new ATOM 0 HG2 PRO A 78 19.480 10.885 3.338 1.00 0.00 H new ATOM 0 HG3 PRO A 78 19.096 11.370 1.698 1.00 0.00 H new ATOM 0 HD2 PRO A 78 17.459 11.855 3.940 1.00 0.30 H new ATOM 0 HD3 PRO A 78 16.925 11.951 2.273 1.00 0.30 H new ATOM 1266 N GLY A 79 16.781 7.224 4.684 1.00 -0.73 N ATOM 1267 CA GLY A 79 16.947 6.432 5.899 1.00 0.36 C ATOM 1268 C GLY A 79 15.596 6.172 6.560 1.00 0.57 C ATOM 1269 O GLY A 79 14.577 6.574 6.019 1.00 -0.57 O ATOM 0 H GLY A 79 15.954 6.965 4.147 1.00 -0.73 H new ATOM 0 HA2 GLY A 79 17.429 5.484 5.659 1.00 0.36 H new ATOM 0 HA3 GLY A 79 17.603 6.956 6.594 1.00 0.36 H new ATOM 1273 N ASN A 80 15.598 5.523 7.730 1.00 -0.73 N ATOM 1274 CA ASN A 80 14.422 5.305 8.587 1.00 0.36 C ATOM 1275 C ASN A 80 13.166 4.797 7.824 1.00 0.57 C ATOM 1276 O ASN A 80 13.284 3.809 7.096 1.00 -0.57 O ATOM 1277 CB ASN A 80 14.231 6.528 9.509 1.00 0.06 C ATOM 1278 CG ASN A 80 13.432 6.176 10.759 1.00 0.57 C ATOM 1279 OD1 ASN A 80 13.763 5.234 11.465 1.00 -0.57 O ATOM 1280 ND2 ASN A 80 12.367 6.909 11.053 1.00 -0.80 N ATOM 0 H ASN A 80 16.449 5.120 8.122 1.00 -0.73 H new ATOM 0 HA ASN A 80 14.605 4.456 9.245 1.00 0.36 H new ATOM 0 HB2 ASN A 80 15.206 6.920 9.799 1.00 0.06 H new ATOM 0 HB3 ASN A 80 13.719 7.319 8.961 1.00 0.06 H new ATOM 0 HD21 ASN A 80 11.810 6.691 11.879 1.00 -0.80 H new ATOM 0 HD22 ASN A 80 12.105 7.691 10.453 1.00 -0.80 H new ATOM 1287 N THR A 81 11.960 5.325 8.076 1.00 -0.73 N ATOM 1288 CA THR A 81 10.683 4.985 7.424 1.00 0.36 C ATOM 1289 C THR A 81 10.735 5.297 5.919 1.00 0.57 C ATOM 1290 O THR A 81 10.985 6.432 5.557 1.00 -0.57 O ATOM 1291 CB THR A 81 9.609 5.861 8.105 1.00 0.28 C ATOM 1292 OG1 THR A 81 9.567 5.550 9.484 1.00 -0.68 O ATOM 1293 CG2 THR A 81 8.190 5.726 7.551 1.00 0.00 C ATOM 0 H THR A 81 11.840 6.048 8.786 1.00 -0.73 H new ATOM 0 HA THR A 81 10.465 3.922 7.525 1.00 0.36 H new ATOM 0 HB THR A 81 9.916 6.887 7.904 1.00 0.28 H new ATOM 0 HG1 THR A 81 8.888 6.104 9.924 1.00 -0.68 H new ATOM 0 HG21 THR A 81 7.520 6.385 8.103 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.183 6.002 6.496 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.854 4.695 7.658 1.00 0.00 H new ATOM 1301 N LEU A 82 10.445 4.351 5.020 1.00 -0.73 N ATOM 1302 CA LEU A 82 10.557 4.575 3.573 1.00 0.36 C ATOM 1303 C LEU A 82 9.331 5.284 2.957 1.00 0.57 C ATOM 1304 O LEU A 82 9.445 5.992 1.951 1.00 -0.57 O ATOM 1305 CB LEU A 82 10.828 3.234 2.853 1.00 0.00 C ATOM 1306 CG LEU A 82 11.994 2.396 3.433 1.00 0.00 C ATOM 1307 CD1 LEU A 82 12.199 1.114 2.618 1.00 0.00 C ATOM 1308 CD2 LEU A 82 13.335 3.136 3.475 1.00 0.00 C ATOM 0 H LEU A 82 10.128 3.415 5.271 1.00 -0.73 H new ATOM 0 HA LEU A 82 11.397 5.253 3.427 1.00 0.36 H new ATOM 0 HB2 LEU A 82 9.919 2.633 2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.037 3.440 1.803 1.00 0.00 H new ATOM 0 HG LEU A 82 11.695 2.177 4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.023 0.541 3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.288 0.516 2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 82 12.432 1.373 1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 82 14.099 2.481 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.621 3.428 2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.240 4.026 4.096 1.00 0.00 H new ATOM 1320 N ALA A 83 8.138 5.078 3.531 1.00 -0.73 N ATOM 1321 CA ALA A 83 6.884 5.634 3.043 1.00 0.36 C ATOM 1322 C ALA A 83 5.836 5.572 4.153 1.00 0.57 C ATOM 1323 O ALA A 83 6.027 4.879 5.151 1.00 -0.57 O ATOM 1324 CB ALA A 83 6.426 4.837 1.812 1.00 0.00 C ATOM 0 H ALA A 83 8.023 4.505 4.367 1.00 -0.73 H new ATOM 0 HA ALA A 83 7.020 6.676 2.755 1.00 0.36 H new ATOM 0 HB1 ALA A 83 5.487 5.248 1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.185 4.904 1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.281 3.793 2.088 1.00 0.00 H new ATOM 1330 N HIS A 84 4.714 6.271 3.988 1.00 -0.73 N ATOM 1331 CA HIS A 84 3.586 6.150 4.901 1.00 0.36 C ATOM 1332 C HIS A 84 2.281 6.267 4.126 1.00 0.57 C ATOM 1333 O HIS A 84 2.269 6.790 3.008 1.00 -0.57 O ATOM 1334 CB HIS A 84 3.696 7.179 6.044 1.00 0.17 C ATOM 1335 CG HIS A 84 3.690 8.640 5.652 1.00 0.18 C ATOM 1336 ND1 HIS A 84 4.545 9.605 6.148 1.00 -0.70 N ATOM 1337 CD2 HIS A 84 2.789 9.290 4.846 1.00 0.20 C ATOM 1338 CE1 HIS A 84 4.170 10.790 5.637 1.00 0.65 C ATOM 1339 NE2 HIS A 84 3.106 10.648 4.832 1.00 -0.70 N ATOM 0 H HIS A 84 4.565 6.930 3.224 1.00 -0.73 H new ATOM 0 HA HIS A 84 3.599 5.166 5.370 1.00 0.36 H new ATOM 0 HB2 HIS A 84 2.869 7.009 6.734 1.00 0.17 H new ATOM 0 HB3 HIS A 84 4.616 6.979 6.593 1.00 0.17 H new ATOM 0 HD2 HIS A 84 1.972 8.828 4.312 1.00 0.20 H new ATOM 0 HE1 HIS A 84 4.659 11.730 5.846 1.00 0.65 H new ATOM 0 HE2 HIS A 84 2.626 11.384 4.314 1.00 -0.70 H new ATOM 1348 N ALA A 85 1.182 5.850 4.759 1.00 -0.73 N ATOM 1349 CA ALA A 85 -0.159 5.881 4.205 1.00 0.36 C ATOM 1350 C ALA A 85 -1.163 6.072 5.330 1.00 0.57 C ATOM 1351 O ALA A 85 -0.898 5.682 6.471 1.00 -0.57 O ATOM 1352 CB ALA A 85 -0.441 4.563 3.484 1.00 0.00 C ATOM 0 H ALA A 85 1.211 5.469 5.705 1.00 -0.73 H new ATOM 0 HA ALA A 85 -0.245 6.706 3.497 1.00 0.36 H new ATOM 0 HB1 ALA A 85 -1.448 4.584 3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.282 4.426 2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.358 3.737 4.190 1.00 0.00 H new ATOM 1358 N PHE A 86 -2.329 6.620 4.986 1.00 -0.73 N ATOM 1359 CA PHE A 86 -3.383 6.927 5.945 1.00 0.36 C ATOM 1360 C PHE A 86 -4.559 5.959 5.764 1.00 0.57 C ATOM 1361 O PHE A 86 -4.675 5.292 4.737 1.00 -0.57 O ATOM 1362 CB PHE A 86 -3.782 8.401 5.772 1.00 0.14 C ATOM 1363 CG PHE A 86 -2.601 9.366 5.733 1.00 -0.14 C ATOM 1364 CD1 PHE A 86 -1.707 9.460 6.818 1.00 -0.15 C ATOM 1365 CD2 PHE A 86 -2.353 10.130 4.578 1.00 -0.15 C ATOM 1366 CE1 PHE A 86 -0.591 10.314 6.745 1.00 -0.15 C ATOM 1367 CE2 PHE A 86 -1.251 10.996 4.507 1.00 -0.15 C ATOM 1368 CZ PHE A 86 -0.367 11.087 5.593 1.00 -0.15 C ATOM 0 H PHE A 86 -2.567 6.864 4.025 1.00 -0.73 H new ATOM 0 HA PHE A 86 -3.034 6.792 6.969 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -4.353 8.506 4.850 1.00 0.14 H new ATOM 0 HB3 PHE A 86 -4.443 8.686 6.591 1.00 0.14 H new ATOM 0 HD1 PHE A 86 -1.879 8.874 7.709 1.00 -0.15 H new ATOM 0 HD2 PHE A 86 -3.021 10.049 3.733 1.00 -0.15 H new ATOM 0 HE1 PHE A 86 0.095 10.376 7.577 1.00 -0.15 H new ATOM 0 HE2 PHE A 86 -1.084 11.590 3.620 1.00 -0.15 H new ATOM 0 HZ PHE A 86 0.484 11.750 5.544 1.00 -0.15 H new ATOM 1378 N ALA A 87 -5.448 5.880 6.760 1.00 -0.73 N ATOM 1379 CA ALA A 87 -6.652 5.049 6.685 1.00 0.36 C ATOM 1380 C ALA A 87 -7.704 5.730 5.798 1.00 0.57 C ATOM 1381 O ALA A 87 -7.689 6.956 5.699 1.00 -0.57 O ATOM 1382 CB ALA A 87 -7.196 4.839 8.100 1.00 0.00 C ATOM 0 H ALA A 87 -5.353 6.390 7.638 1.00 -0.73 H new ATOM 0 HA ALA A 87 -6.410 4.082 6.244 1.00 0.36 H new ATOM 0 HB1 ALA A 87 -8.093 4.221 8.057 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.442 4.341 8.710 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.441 5.804 8.543 1.00 0.00 H new ATOM 1388 N PRO A 88 -8.628 4.989 5.162 1.00 -0.66 N ATOM 1389 CA PRO A 88 -9.641 5.565 4.287 1.00 0.36 C ATOM 1390 C PRO A 88 -10.642 6.430 5.054 1.00 0.57 C ATOM 1391 O PRO A 88 -10.880 6.238 6.248 1.00 -0.57 O ATOM 1392 CB PRO A 88 -10.334 4.386 3.610 1.00 0.00 C ATOM 1393 CG PRO A 88 -10.077 3.212 4.537 1.00 0.00 C ATOM 1394 CD PRO A 88 -8.767 3.548 5.242 1.00 0.30 C ATOM 0 HA PRO A 88 -9.183 6.232 3.557 1.00 0.36 H new ATOM 0 HB2 PRO A 88 -11.402 4.569 3.488 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.926 4.203 2.616 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.890 3.088 5.252 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.998 2.279 3.980 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.786 3.215 6.280 1.00 0.30 H new ATOM 0 HD3 PRO A 88 -7.926 3.048 4.762 1.00 0.30 H new ATOM 1402 N GLY A 89 -11.255 7.367 4.325 1.00 -0.73 N ATOM 1403 CA GLY A 89 -12.195 8.335 4.858 1.00 0.36 C ATOM 1404 C GLY A 89 -12.709 9.187 3.705 1.00 0.57 C ATOM 1405 O GLY A 89 -13.293 8.657 2.763 1.00 -0.57 O ATOM 0 H GLY A 89 -11.101 7.469 3.322 1.00 -0.73 H new ATOM 0 HA2 GLY A 89 -13.023 7.828 5.354 1.00 0.36 H new ATOM 0 HA3 GLY A 89 -11.711 8.962 5.607 1.00 0.36 H new ATOM 1409 N THR A 90 -12.444 10.495 3.775 1.00 -0.73 N ATOM 1410 CA THR A 90 -12.807 11.502 2.786 1.00 0.36 C ATOM 1411 C THR A 90 -11.734 12.584 2.923 1.00 0.57 C ATOM 1412 O THR A 90 -11.693 13.284 3.933 1.00 -0.57 O ATOM 1413 CB THR A 90 -14.236 12.016 3.086 1.00 0.28 C ATOM 1414 OG1 THR A 90 -15.182 11.075 2.616 1.00 -0.68 O ATOM 1415 CG2 THR A 90 -14.610 13.356 2.441 1.00 0.00 C ATOM 0 H THR A 90 -11.943 10.896 4.568 1.00 -0.73 H new ATOM 0 HA THR A 90 -12.836 11.131 1.761 1.00 0.36 H new ATOM 0 HB THR A 90 -14.248 12.157 4.167 1.00 0.28 H new ATOM 0 HG1 THR A 90 -14.735 10.220 2.443 1.00 -0.68 H new ATOM 0 HG21 THR A 90 -15.631 13.620 2.717 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.928 14.131 2.790 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.538 13.271 1.357 1.00 0.00 H new ATOM 1423 N GLY A 91 -10.811 12.670 1.958 1.00 -0.73 N ATOM 1424 CA GLY A 91 -9.752 13.674 1.941 1.00 0.36 C ATOM 1425 C GLY A 91 -8.405 12.986 2.091 1.00 0.57 C ATOM 1426 O GLY A 91 -8.193 12.000 1.395 1.00 -0.57 O ATOM 0 H GLY A 91 -10.782 12.035 1.160 1.00 -0.73 H new ATOM 0 HA2 GLY A 91 -9.784 14.237 1.008 1.00 0.36 H new ATOM 0 HA3 GLY A 91 -9.900 14.389 2.750 1.00 0.36 H new ATOM 1430 N LEU A 92 -7.534 13.486 2.983 1.00 -0.73 N ATOM 1431 CA LEU A 92 -6.189 12.953 3.262 1.00 0.36 C ATOM 1432 C LEU A 92 -6.191 11.442 3.525 1.00 0.57 C ATOM 1433 O LEU A 92 -5.219 10.765 3.201 1.00 -0.57 O ATOM 1434 CB LEU A 92 -5.576 13.715 4.455 1.00 0.00 C ATOM 1435 CG LEU A 92 -4.188 13.191 4.919 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -3.102 14.260 4.806 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -4.255 12.663 6.359 1.00 0.00 C ATOM 0 H LEU A 92 -7.755 14.304 3.551 1.00 -0.73 H new ATOM 0 HA LEU A 92 -5.580 13.106 2.371 1.00 0.36 H new ATOM 0 HB2 LEU A 92 -5.480 14.767 4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.268 13.663 5.296 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.921 12.372 4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.150 13.848 5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.014 14.580 3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.367 15.115 5.428 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.272 12.302 6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.567 13.466 7.027 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.974 11.846 6.414 1.00 0.00 H new ATOM 1449 N GLY A 93 -7.271 10.898 4.093 1.00 -0.73 N ATOM 1450 CA GLY A 93 -7.401 9.461 4.281 1.00 0.36 C ATOM 1451 C GLY A 93 -7.007 8.686 3.019 1.00 0.57 C ATOM 1452 O GLY A 93 -7.222 9.169 1.903 1.00 -0.57 O ATOM 0 H GLY A 93 -8.068 11.438 4.430 1.00 -0.73 H new ATOM 0 HA2 GLY A 93 -6.772 9.145 5.113 1.00 0.36 H new ATOM 0 HA3 GLY A 93 -8.430 9.221 4.549 1.00 0.36 H new ATOM 1456 N GLY A 94 -6.386 7.518 3.213 1.00 -0.73 N ATOM 1457 CA GLY A 94 -5.894 6.613 2.179 1.00 0.36 C ATOM 1458 C GLY A 94 -4.687 7.075 1.386 1.00 0.57 C ATOM 1459 O GLY A 94 -4.054 6.226 0.746 1.00 -0.57 O ATOM 0 H GLY A 94 -6.205 7.162 4.152 1.00 -0.73 H new ATOM 0 HA2 GLY A 94 -5.648 5.661 2.649 1.00 0.36 H new ATOM 0 HA3 GLY A 94 -6.708 6.422 1.479 1.00 0.36 H new ATOM 1463 N ASP A 95 -4.395 8.382 1.399 1.00 -0.73 N ATOM 1464 CA ASP A 95 -3.290 8.951 0.646 1.00 0.36 C ATOM 1465 C ASP A 95 -1.998 8.450 1.268 1.00 0.57 C ATOM 1466 O ASP A 95 -1.957 8.059 2.439 1.00 -0.57 O ATOM 1467 CB ASP A 95 -3.376 10.497 0.616 1.00 0.06 C ATOM 1468 CG ASP A 95 -4.688 10.935 -0.043 1.00 0.66 C ATOM 1469 OD1 ASP A 95 -5.089 10.287 -0.996 1.00 -0.57 O ATOM 1470 OD2 ASP A 95 -5.416 11.945 0.424 1.00 -0.65 O ATOM 0 H ASP A 95 -4.925 9.069 1.936 1.00 -0.73 H new ATOM 0 HA ASP A 95 -3.330 8.633 -0.396 1.00 0.36 H new ATOM 0 HB2 ASP A 95 -3.319 10.893 1.630 1.00 0.06 H new ATOM 0 HB3 ASP A 95 -2.529 10.906 0.066 1.00 0.06 H new ATOM 1476 N ALA A 96 -0.945 8.434 0.458 1.00 -0.73 N ATOM 1477 CA ALA A 96 0.315 7.840 0.830 1.00 0.36 C ATOM 1478 C ALA A 96 1.441 8.651 0.220 1.00 0.57 C ATOM 1479 O ALA A 96 1.351 9.125 -0.918 1.00 -0.57 O ATOM 1480 CB ALA A 96 0.342 6.375 0.377 1.00 0.00 C ATOM 0 H ALA A 96 -0.951 8.838 -0.479 1.00 -0.73 H new ATOM 0 HA ALA A 96 0.443 7.849 1.912 1.00 0.36 H new ATOM 0 HB1 ALA A 96 1.294 5.925 0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.472 5.831 0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.223 6.327 -0.705 1.00 0.00 H new ATOM 1486 N HIS A 97 2.522 8.782 0.983 1.00 -0.73 N ATOM 1487 CA HIS A 97 3.703 9.500 0.547 1.00 0.36 C ATOM 1488 C HIS A 97 4.921 8.615 0.734 1.00 0.57 C ATOM 1489 O HIS A 97 4.880 7.662 1.509 1.00 -0.57 O ATOM 1490 CB HIS A 97 3.840 10.873 1.221 1.00 0.17 C ATOM 1491 CG HIS A 97 2.650 11.774 1.002 1.00 0.18 C ATOM 1492 ND1 HIS A 97 1.948 12.421 1.998 1.00 -0.70 N ATOM 1493 CD2 HIS A 97 2.046 12.042 -0.196 1.00 0.20 C ATOM 1494 CE1 HIS A 97 0.898 13.027 1.412 1.00 0.65 C ATOM 1495 NE2 HIS A 97 0.942 12.823 0.080 1.00 -0.70 N ATOM 0 H HIS A 97 2.598 8.391 1.922 1.00 -0.73 H new ATOM 0 HA HIS A 97 3.608 9.727 -0.515 1.00 0.36 H new ATOM 0 HB2 HIS A 97 3.985 10.730 2.292 1.00 0.17 H new ATOM 0 HB3 HIS A 97 4.734 11.367 0.841 1.00 0.17 H new ATOM 0 HD2 HIS A 97 2.371 11.707 -1.170 1.00 0.20 H new ATOM 0 HE1 HIS A 97 0.136 13.591 1.930 1.00 0.65 H new ATOM 0 HE2 HIS A 97 0.276 13.183 -0.604 1.00 -0.70 H new ATOM 1504 N PHE A 98 5.992 8.935 0.010 1.00 -0.73 N ATOM 1505 CA PHE A 98 7.198 8.132 -0.117 1.00 0.36 C ATOM 1506 C PHE A 98 8.399 9.086 -0.210 1.00 0.57 C ATOM 1507 O PHE A 98 8.246 10.223 -0.671 1.00 -0.57 O ATOM 1508 CB PHE A 98 7.087 7.307 -1.413 1.00 0.14 C ATOM 1509 CG PHE A 98 5.952 6.287 -1.509 1.00 -0.14 C ATOM 1510 CD1 PHE A 98 4.618 6.708 -1.673 1.00 -0.15 C ATOM 1511 CD2 PHE A 98 6.222 4.906 -1.451 1.00 -0.15 C ATOM 1512 CE1 PHE A 98 3.563 5.784 -1.636 1.00 -0.15 C ATOM 1513 CE2 PHE A 98 5.167 3.976 -1.464 1.00 -0.15 C ATOM 1514 CZ PHE A 98 3.837 4.414 -1.541 1.00 -0.15 C ATOM 0 H PHE A 98 6.041 9.801 -0.527 1.00 -0.73 H new ATOM 0 HA PHE A 98 7.323 7.465 0.736 1.00 0.36 H new ATOM 0 HB2 PHE A 98 6.985 8.003 -2.246 1.00 0.14 H new ATOM 0 HB3 PHE A 98 8.028 6.776 -1.555 1.00 0.14 H new ATOM 0 HD1 PHE A 98 4.405 7.755 -1.829 1.00 -0.15 H new ATOM 0 HD2 PHE A 98 7.243 4.560 -1.396 1.00 -0.15 H new ATOM 0 HE1 PHE A 98 2.541 6.129 -1.681 1.00 -0.15 H new ATOM 0 HE2 PHE A 98 5.382 2.919 -1.414 1.00 -0.15 H new ATOM 0 HZ PHE A 98 3.028 3.698 -1.527 1.00 -0.15 H new ATOM 1524 N ASP A 99 9.593 8.627 0.177 1.00 -0.73 N ATOM 1525 CA ASP A 99 10.825 9.405 0.029 1.00 0.36 C ATOM 1526 C ASP A 99 11.478 9.115 -1.332 1.00 0.57 C ATOM 1527 O ASP A 99 12.205 8.138 -1.479 1.00 -0.57 O ATOM 1528 CB ASP A 99 11.819 9.072 1.142 1.00 0.06 C ATOM 1529 CG ASP A 99 11.396 9.581 2.508 1.00 0.66 C ATOM 1530 OD1 ASP A 99 11.140 8.723 3.337 1.00 -0.57 O ATOM 1531 OD2 ASP A 99 11.420 10.895 2.712 1.00 -0.65 O ATOM 0 H ASP A 99 9.732 7.709 0.600 1.00 -0.73 H new ATOM 0 HA ASP A 99 10.562 10.461 0.093 1.00 0.36 H new ATOM 0 HB2 ASP A 99 11.948 7.991 1.191 1.00 0.06 H new ATOM 0 HB3 ASP A 99 12.790 9.498 0.890 1.00 0.06 H new ATOM 1537 N GLU A 100 11.284 9.980 -2.334 1.00 -0.73 N ATOM 1538 CA GLU A 100 11.974 9.912 -3.633 1.00 0.36 C ATOM 1539 C GLU A 100 13.505 9.896 -3.472 1.00 0.57 C ATOM 1540 O GLU A 100 14.214 9.351 -4.313 1.00 -0.57 O ATOM 1541 CB GLU A 100 11.571 11.124 -4.498 1.00 0.00 C ATOM 1542 CG GLU A 100 12.113 11.045 -5.939 1.00 0.06 C ATOM 1543 CD GLU A 100 11.902 12.350 -6.724 1.00 0.66 C ATOM 1544 OE1 GLU A 100 10.765 12.789 -6.772 1.00 -0.57 O ATOM 1545 OE2 GLU A 100 12.969 12.941 -7.254 1.00 -0.65 O ATOM 0 H GLU A 100 10.632 10.762 -2.267 1.00 -0.73 H new ATOM 0 HA GLU A 100 11.674 8.982 -4.115 1.00 0.36 H new ATOM 0 HB2 GLU A 100 10.484 11.196 -4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.938 12.036 -4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 100 13.177 10.811 -5.910 1.00 0.06 H new ATOM 0 HG3 GLU A 100 11.621 10.226 -6.464 1.00 0.06 H new ATOM 1553 N ASP A 101 14.005 10.500 -2.388 1.00 -0.73 N ATOM 1554 CA ASP A 101 15.424 10.580 -2.028 1.00 0.36 C ATOM 1555 C ASP A 101 16.051 9.171 -1.976 1.00 0.57 C ATOM 1556 O ASP A 101 17.185 8.941 -2.419 1.00 -0.57 O ATOM 1557 CB ASP A 101 15.500 11.301 -0.661 1.00 0.06 C ATOM 1558 CG ASP A 101 16.817 12.029 -0.360 1.00 0.66 C ATOM 1559 OD1 ASP A 101 16.741 13.098 0.223 1.00 -0.57 O ATOM 1560 OD2 ASP A 101 17.954 11.418 -0.682 1.00 -0.65 O ATOM 0 H ASP A 101 13.405 10.967 -1.708 1.00 -0.73 H new ATOM 0 HA ASP A 101 15.992 11.137 -2.773 1.00 0.36 H new ATOM 0 HB2 ASP A 101 14.687 12.025 -0.608 1.00 0.06 H new ATOM 0 HB3 ASP A 101 15.325 10.567 0.125 1.00 0.06 H new ATOM 1566 N GLU A 102 15.274 8.212 -1.466 1.00 -0.73 N ATOM 1567 CA GLU A 102 15.651 6.815 -1.344 1.00 0.36 C ATOM 1568 C GLU A 102 15.578 6.134 -2.717 1.00 0.57 C ATOM 1569 O GLU A 102 14.796 6.530 -3.580 1.00 -0.57 O ATOM 1570 CB GLU A 102 14.721 6.133 -0.338 1.00 0.00 C ATOM 1571 CG GLU A 102 14.765 6.789 1.051 1.00 0.06 C ATOM 1572 CD GLU A 102 13.747 6.210 2.024 1.00 0.66 C ATOM 1573 OE1 GLU A 102 13.944 6.411 3.211 1.00 -0.57 O ATOM 1574 OE2 GLU A 102 12.699 5.557 1.529 1.00 -0.65 O ATOM 0 H GLU A 102 14.334 8.401 -1.117 1.00 -0.73 H new ATOM 0 HA GLU A 102 16.676 6.734 -0.984 1.00 0.36 H new ATOM 0 HB2 GLU A 102 13.699 6.162 -0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.998 5.083 -0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 102 15.765 6.671 1.469 1.00 0.06 H new ATOM 0 HG3 GLU A 102 14.588 7.859 0.945 1.00 0.06 H new ATOM 1582 N ARG A 103 16.393 5.101 -2.956 1.00 -0.73 N ATOM 1583 CA ARG A 103 16.402 4.437 -4.260 1.00 0.36 C ATOM 1584 C ARG A 103 15.234 3.468 -4.350 1.00 0.57 C ATOM 1585 O ARG A 103 15.157 2.542 -3.550 1.00 -0.57 O ATOM 1586 CB ARG A 103 17.706 3.662 -4.495 1.00 0.00 C ATOM 1587 CG ARG A 103 18.683 4.454 -5.368 1.00 0.00 C ATOM 1588 CD ARG A 103 19.821 3.532 -5.824 1.00 0.33 C ATOM 1589 NE ARG A 103 21.142 4.154 -5.655 1.00 -0.84 N ATOM 1590 CZ ARG A 103 22.298 3.485 -5.568 1.00 1.20 C ATOM 1591 NH1 ARG A 103 22.337 2.169 -5.787 1.00 -0.97 N ATOM 1592 NH2 ARG A 103 23.410 4.146 -5.247 1.00 -0.97 N ATOM 0 H ARG A 103 17.045 4.713 -2.274 1.00 -0.73 H new ATOM 0 HA ARG A 103 16.318 5.211 -5.023 1.00 0.36 H new ATOM 0 HB2 ARG A 103 18.174 3.437 -3.537 1.00 0.00 H new ATOM 0 HB3 ARG A 103 17.482 2.708 -4.972 1.00 0.00 H new ATOM 0 HG2 ARG A 103 18.164 4.865 -6.234 1.00 0.00 H new ATOM 0 HG3 ARG A 103 19.086 5.298 -4.808 1.00 0.00 H new ATOM 0 HD2 ARG A 103 19.783 2.603 -5.255 1.00 0.33 H new ATOM 0 HD3 ARG A 103 19.676 3.270 -6.872 1.00 0.33 H new ATOM 0 HE ARG A 103 21.181 5.172 -5.600 1.00 -0.84 H new ATOM 0 HH11 ARG A 103 21.482 1.666 -6.023 1.00 -0.97 H new ATOM 0 HH12 ARG A 103 23.222 1.667 -5.719 1.00 -0.97 H new ATOM 0 HH21 ARG A 103 23.374 5.150 -5.071 1.00 -0.97 H new ATOM 0 HH22 ARG A 103 24.297 3.648 -5.177 1.00 -0.97 H new ATOM 1606 N TRP A 104 14.401 3.610 -5.381 1.00 -0.73 N ATOM 1607 CA TRP A 104 13.281 2.714 -5.650 1.00 0.36 C ATOM 1608 C TRP A 104 13.618 1.839 -6.864 1.00 0.57 C ATOM 1609 O TRP A 104 14.573 2.139 -7.577 1.00 -0.57 O ATOM 1610 CB TRP A 104 12.003 3.541 -5.857 1.00 0.18 C ATOM 1611 CG TRP A 104 11.666 4.444 -4.704 1.00 -0.18 C ATOM 1612 CD1 TRP A 104 12.119 5.708 -4.536 1.00 -0.30 C ATOM 1613 CD2 TRP A 104 10.928 4.130 -3.479 1.00 0.00 C ATOM 1614 NE1 TRP A 104 11.742 6.176 -3.300 1.00 0.03 N ATOM 1615 CE2 TRP A 104 11.024 5.244 -2.594 1.00 -0.15 C ATOM 1616 CE3 TRP A 104 10.240 2.997 -2.991 1.00 -0.15 C ATOM 1617 CZ2 TRP A 104 10.505 5.235 -1.295 1.00 -0.15 C ATOM 1618 CZ3 TRP A 104 9.674 2.992 -1.700 1.00 -0.15 C ATOM 1619 CH2 TRP A 104 9.819 4.099 -0.847 1.00 -0.15 C ATOM 0 H TRP A 104 14.489 4.364 -6.063 1.00 -0.73 H new ATOM 0 HA TRP A 104 13.104 2.050 -4.804 1.00 0.36 H new ATOM 0 HB2 TRP A 104 12.115 4.145 -6.757 1.00 0.18 H new ATOM 0 HB3 TRP A 104 11.168 2.863 -6.030 1.00 0.18 H new ATOM 0 HD1 TRP A 104 12.691 6.265 -5.264 1.00 -0.30 H new ATOM 0 HE1 TRP A 104 11.969 7.106 -2.949 1.00 0.03 H new ATOM 0 HE3 TRP A 104 10.146 2.121 -3.616 1.00 -0.15 H new ATOM 0 HZ2 TRP A 104 10.631 6.090 -0.648 1.00 -0.15 H new ATOM 0 HZ3 TRP A 104 9.122 2.127 -1.363 1.00 -0.15 H new ATOM 0 HH2 TRP A 104 9.403 4.074 0.150 1.00 -0.15 H new ATOM 1630 N THR A 105 12.858 0.766 -7.105 1.00 -0.73 N ATOM 1631 CA THR A 105 13.008 -0.091 -8.283 1.00 0.36 C ATOM 1632 C THR A 105 11.704 -0.865 -8.521 1.00 0.57 C ATOM 1633 O THR A 105 10.867 -0.949 -7.620 1.00 -0.57 O ATOM 1634 CB THR A 105 14.217 -1.023 -8.092 1.00 0.28 C ATOM 1635 OG1 THR A 105 14.553 -1.714 -9.273 1.00 -0.68 O ATOM 1636 CG2 THR A 105 14.052 -2.078 -7.005 1.00 0.00 C ATOM 0 H THR A 105 12.112 0.465 -6.478 1.00 -0.73 H new ATOM 0 HA THR A 105 13.199 0.512 -9.171 1.00 0.36 H new ATOM 0 HB THR A 105 15.004 -0.331 -7.793 1.00 0.28 H new ATOM 0 HG1 THR A 105 15.517 -1.892 -9.285 1.00 -0.68 H new ATOM 0 HG21 THR A 105 14.956 -2.685 -6.947 1.00 0.00 H new ATOM 0 HG22 THR A 105 13.881 -1.589 -6.046 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.201 -2.716 -7.244 1.00 0.00 H new ATOM 1644 N ASP A 106 11.540 -1.445 -9.714 1.00 -0.73 N ATOM 1645 CA ASP A 106 10.446 -2.370 -10.015 1.00 0.36 C ATOM 1646 C ASP A 106 10.581 -3.642 -9.173 1.00 0.57 C ATOM 1647 O ASP A 106 9.620 -4.060 -8.528 1.00 -0.57 O ATOM 1648 CB ASP A 106 10.388 -2.698 -11.529 1.00 0.06 C ATOM 1649 CG ASP A 106 11.634 -3.357 -12.165 1.00 0.66 C ATOM 1650 OD1 ASP A 106 12.688 -3.283 -11.556 1.00 -0.57 O ATOM 1651 OD2 ASP A 106 11.476 -3.972 -13.333 1.00 -0.65 O ATOM 0 H ASP A 106 12.167 -1.284 -10.502 1.00 -0.73 H new ATOM 0 HA ASP A 106 9.505 -1.886 -9.754 1.00 0.36 H new ATOM 0 HB2 ASP A 106 9.536 -3.356 -11.698 1.00 0.06 H new ATOM 0 HB3 ASP A 106 10.186 -1.771 -12.066 1.00 0.06 H new ATOM 1657 N GLY A 107 11.783 -4.225 -9.141 1.00 -0.73 N ATOM 1658 CA GLY A 107 12.069 -5.449 -8.410 1.00 0.36 C ATOM 1659 C GLY A 107 13.350 -6.135 -8.883 1.00 0.57 C ATOM 1660 O GLY A 107 13.370 -7.359 -8.987 1.00 -0.57 O ATOM 0 H GLY A 107 12.594 -3.848 -9.633 1.00 -0.73 H new ATOM 0 HA2 GLY A 107 12.155 -5.221 -7.348 1.00 0.36 H new ATOM 0 HA3 GLY A 107 11.231 -6.137 -8.521 1.00 0.36 H new ATOM 1664 N SER A 108 14.418 -5.383 -9.181 1.00 -0.73 N ATOM 1665 CA SER A 108 15.694 -5.918 -9.680 1.00 0.36 C ATOM 1666 C SER A 108 16.574 -6.562 -8.582 1.00 0.57 C ATOM 1667 O SER A 108 17.805 -6.510 -8.665 1.00 -0.57 O ATOM 1668 CB SER A 108 16.415 -4.801 -10.457 1.00 0.28 C ATOM 1669 OG SER A 108 15.942 -4.763 -11.791 1.00 -0.68 O ATOM 0 H SER A 108 14.420 -4.368 -9.081 1.00 -0.73 H new ATOM 0 HA SER A 108 15.485 -6.750 -10.353 1.00 0.36 H new ATOM 0 HB2 SER A 108 16.243 -3.840 -9.973 1.00 0.28 H new ATOM 0 HB3 SER A 108 17.491 -4.975 -10.448 1.00 0.28 H new ATOM 0 HG SER A 108 16.402 -4.050 -12.281 1.00 -0.68 H new ATOM 1675 N SER A 109 15.959 -7.176 -7.558 1.00 -0.73 N ATOM 1676 CA SER A 109 16.627 -7.779 -6.392 1.00 0.36 C ATOM 1677 C SER A 109 17.582 -6.817 -5.665 1.00 0.57 C ATOM 1678 O SER A 109 18.641 -7.220 -5.182 1.00 -0.57 O ATOM 1679 CB SER A 109 17.306 -9.097 -6.796 1.00 0.28 C ATOM 1680 OG SER A 109 16.341 -10.010 -7.284 1.00 -0.68 O ATOM 0 H SER A 109 14.944 -7.270 -7.518 1.00 -0.73 H new ATOM 0 HA SER A 109 15.856 -8.003 -5.655 1.00 0.36 H new ATOM 0 HB2 SER A 109 18.059 -8.908 -7.561 1.00 0.28 H new ATOM 0 HB3 SER A 109 17.824 -9.527 -5.938 1.00 0.28 H new ATOM 0 HG SER A 109 16.782 -10.846 -7.541 1.00 -0.68 H new ATOM 1686 N LEU A 110 17.221 -5.529 -5.620 1.00 -0.73 N ATOM 1687 CA LEU A 110 18.034 -4.438 -5.093 1.00 0.36 C ATOM 1688 C LEU A 110 17.116 -3.252 -4.777 1.00 0.57 C ATOM 1689 O LEU A 110 15.899 -3.373 -4.919 1.00 -0.57 O ATOM 1690 CB LEU A 110 19.124 -4.071 -6.132 1.00 0.00 C ATOM 1691 CG LEU A 110 20.535 -4.493 -5.681 1.00 0.00 C ATOM 1692 CD1 LEU A 110 21.526 -4.317 -6.838 1.00 0.00 C ATOM 1693 CD2 LEU A 110 21.019 -3.689 -4.462 1.00 0.00 C ATOM 0 H LEU A 110 16.316 -5.210 -5.965 1.00 -0.73 H new ATOM 0 HA LEU A 110 18.539 -4.731 -4.173 1.00 0.36 H new ATOM 0 HB2 LEU A 110 18.891 -4.551 -7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 110 19.108 -2.995 -6.306 1.00 0.00 H new ATOM 0 HG LEU A 110 20.484 -5.542 -5.388 1.00 0.00 H new ATOM 0 HD11 LEU A 110 22.522 -4.617 -6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 110 21.217 -4.937 -7.679 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.544 -3.271 -7.145 1.00 0.00 H new ATOM 0 HD21 LEU A 110 22.018 -4.021 -4.180 1.00 0.00 H new ATOM 0 HD22 LEU A 110 21.047 -2.629 -4.713 1.00 0.00 H new ATOM 0 HD23 LEU A 110 20.336 -3.846 -3.628 1.00 0.00 H new ATOM 1705 N GLY A 111 17.698 -2.112 -4.373 1.00 -0.73 N ATOM 1706 CA GLY A 111 16.978 -0.867 -4.119 1.00 0.36 C ATOM 1707 C GLY A 111 15.819 -1.064 -3.143 1.00 0.57 C ATOM 1708 O GLY A 111 15.917 -1.862 -2.211 1.00 -0.57 O ATOM 0 H GLY A 111 18.702 -2.035 -4.212 1.00 -0.73 H new ATOM 0 HA2 GLY A 111 17.668 -0.125 -3.717 1.00 0.36 H new ATOM 0 HA3 GLY A 111 16.596 -0.471 -5.060 1.00 0.36 H new ATOM 1712 N ILE A 112 14.729 -0.326 -3.365 1.00 -0.73 N ATOM 1713 CA ILE A 112 13.490 -0.458 -2.616 1.00 0.36 C ATOM 1714 C ILE A 112 12.400 -0.808 -3.624 1.00 0.57 C ATOM 1715 O ILE A 112 12.051 -0.013 -4.497 1.00 -0.57 O ATOM 1716 CB ILE A 112 13.160 0.825 -1.828 1.00 0.00 C ATOM 1717 CG1 ILE A 112 14.275 1.215 -0.835 1.00 0.00 C ATOM 1718 CG2 ILE A 112 11.852 0.599 -1.063 1.00 0.00 C ATOM 1719 CD1 ILE A 112 14.135 2.663 -0.366 1.00 0.00 C ATOM 0 H ILE A 112 14.688 0.393 -4.087 1.00 -0.73 H new ATOM 0 HA ILE A 112 13.576 -1.242 -1.864 1.00 0.36 H new ATOM 0 HB ILE A 112 13.067 1.645 -2.540 1.00 0.00 H new ATOM 0 HG12 ILE A 112 14.243 0.549 0.027 1.00 0.00 H new ATOM 0 HG13 ILE A 112 15.247 1.078 -1.308 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.601 1.497 -0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.051 0.379 -1.769 1.00 0.00 H new ATOM 0 HG23 ILE A 112 11.972 -0.239 -0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 112 14.939 2.899 0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.193 3.331 -1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.173 2.793 0.131 1.00 0.00 H new ATOM 1731 N ASN A 113 11.877 -2.022 -3.496 1.00 -0.73 N ATOM 1732 CA ASN A 113 10.839 -2.557 -4.358 1.00 0.36 C ATOM 1733 C ASN A 113 9.558 -1.713 -4.279 1.00 0.57 C ATOM 1734 O ASN A 113 8.841 -1.743 -3.275 1.00 -0.57 O ATOM 1735 CB ASN A 113 10.593 -3.995 -3.920 1.00 0.06 C ATOM 1736 CG ASN A 113 9.589 -4.730 -4.790 1.00 0.57 C ATOM 1737 OD1 ASN A 113 8.617 -4.160 -5.239 1.00 -0.57 O ATOM 1738 ND2 ASN A 113 9.746 -6.020 -4.999 1.00 -0.80 N ATOM 0 H ASN A 113 12.173 -2.675 -2.770 1.00 -0.73 H new ATOM 0 HA ASN A 113 11.153 -2.528 -5.402 1.00 0.36 H new ATOM 0 HB2 ASN A 113 11.539 -4.537 -3.933 1.00 0.06 H new ATOM 0 HB3 ASN A 113 10.239 -3.997 -2.889 1.00 0.06 H new ATOM 0 HD21 ASN A 113 9.051 -6.538 -5.537 1.00 -0.80 H new ATOM 0 HD22 ASN A 113 10.562 -6.502 -4.623 1.00 -0.80 H new ATOM 1745 N PHE A 114 9.255 -1.006 -5.369 1.00 -0.73 N ATOM 1746 CA PHE A 114 8.059 -0.196 -5.518 1.00 0.36 C ATOM 1747 C PHE A 114 6.798 -1.052 -5.462 1.00 0.57 C ATOM 1748 O PHE A 114 5.824 -0.650 -4.832 1.00 -0.57 O ATOM 1749 CB PHE A 114 8.116 0.538 -6.865 1.00 0.14 C ATOM 1750 CG PHE A 114 7.060 1.613 -6.999 1.00 -0.14 C ATOM 1751 CD1 PHE A 114 5.696 1.280 -7.131 1.00 -0.15 C ATOM 1752 CD2 PHE A 114 7.444 2.964 -6.932 1.00 -0.15 C ATOM 1753 CE1 PHE A 114 4.719 2.282 -7.092 1.00 -0.15 C ATOM 1754 CE2 PHE A 114 6.467 3.968 -6.956 1.00 -0.15 C ATOM 1755 CZ PHE A 114 5.105 3.626 -6.993 1.00 -0.15 C ATOM 0 H PHE A 114 9.856 -0.985 -6.193 1.00 -0.73 H new ATOM 0 HA PHE A 114 8.021 0.518 -4.695 1.00 0.36 H new ATOM 0 HB2 PHE A 114 9.101 0.988 -6.986 1.00 0.14 H new ATOM 0 HB3 PHE A 114 7.995 -0.185 -7.672 1.00 0.14 H new ATOM 0 HD1 PHE A 114 5.404 0.249 -7.263 1.00 -0.15 H new ATOM 0 HD2 PHE A 114 8.489 3.227 -6.862 1.00 -0.15 H new ATOM 0 HE1 PHE A 114 3.672 2.021 -7.138 1.00 -0.15 H new ATOM 0 HE2 PHE A 114 6.762 5.007 -6.946 1.00 -0.15 H new ATOM 0 HZ PHE A 114 4.354 4.400 -6.945 1.00 -0.15 H new ATOM 1765 N LEU A 115 6.806 -2.209 -6.133 1.00 -0.73 N ATOM 1766 CA LEU A 115 5.691 -3.146 -6.171 1.00 0.36 C ATOM 1767 C LEU A 115 5.273 -3.439 -4.724 1.00 0.57 C ATOM 1768 O LEU A 115 4.123 -3.208 -4.364 1.00 -0.57 O ATOM 1769 CB LEU A 115 6.127 -4.411 -6.964 1.00 0.00 C ATOM 1770 CG LEU A 115 5.515 -4.580 -8.359 1.00 0.00 C ATOM 1771 CD1 LEU A 115 6.413 -5.455 -9.241 1.00 0.00 C ATOM 1772 CD2 LEU A 115 4.106 -5.183 -8.318 1.00 0.00 C ATOM 0 H LEU A 115 7.610 -2.522 -6.676 1.00 -0.73 H new ATOM 0 HA LEU A 115 4.821 -2.740 -6.688 1.00 0.36 H new ATOM 0 HB2 LEU A 115 7.212 -4.394 -7.066 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.876 -5.290 -6.371 1.00 0.00 H new ATOM 0 HG LEU A 115 5.438 -3.579 -8.783 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.961 -5.563 -10.227 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.393 -4.987 -9.340 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.525 -6.438 -8.784 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.722 -5.280 -9.334 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.145 -6.166 -7.849 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.448 -4.532 -7.742 1.00 0.00 H new ATOM 1784 N TYR A 116 6.210 -3.885 -3.883 1.00 -0.73 N ATOM 1785 CA TYR A 116 5.933 -4.215 -2.489 1.00 0.36 C ATOM 1786 C TYR A 116 5.511 -2.975 -1.707 1.00 0.57 C ATOM 1787 O TYR A 116 4.541 -3.042 -0.955 1.00 -0.57 O ATOM 1788 CB TYR A 116 7.163 -4.856 -1.846 1.00 0.14 C ATOM 1789 CG TYR A 116 6.869 -5.708 -0.625 1.00 -0.14 C ATOM 1790 CD1 TYR A 116 6.190 -6.932 -0.791 1.00 -0.15 C ATOM 1791 CD2 TYR A 116 7.392 -5.361 0.637 1.00 -0.15 C ATOM 1792 CE1 TYR A 116 6.110 -7.848 0.273 1.00 -0.15 C ATOM 1793 CE2 TYR A 116 7.306 -6.269 1.709 1.00 -0.15 C ATOM 1794 CZ TYR A 116 6.695 -7.530 1.521 1.00 0.08 C ATOM 1795 OH TYR A 116 6.717 -8.449 2.527 1.00 -0.53 O ATOM 0 H TYR A 116 7.183 -4.027 -4.154 1.00 -0.73 H new ATOM 0 HA TYR A 116 5.108 -4.927 -2.463 1.00 0.36 H new ATOM 0 HB2 TYR A 116 7.665 -5.474 -2.591 1.00 0.14 H new ATOM 0 HB3 TYR A 116 7.860 -4.068 -1.563 1.00 0.14 H new ATOM 0 HD1 TYR A 116 5.729 -7.167 -1.739 1.00 -0.15 H new ATOM 0 HD2 TYR A 116 7.859 -4.398 0.782 1.00 -0.15 H new ATOM 0 HE1 TYR A 116 5.603 -8.792 0.138 1.00 -0.15 H new ATOM 0 HE2 TYR A 116 7.707 -6.002 2.676 1.00 -0.15 H new ATOM 0 HH TYR A 116 7.157 -8.063 3.313 1.00 -0.53 H new ATOM 1805 N ALA A 117 6.202 -1.844 -1.915 1.00 -0.73 N ATOM 1806 CA ALA A 117 5.882 -0.584 -1.257 1.00 0.36 C ATOM 1807 C ALA A 117 4.435 -0.192 -1.510 1.00 0.57 C ATOM 1808 O ALA A 117 3.691 0.077 -0.570 1.00 -0.57 O ATOM 1809 CB ALA A 117 6.828 0.521 -1.743 1.00 0.00 C ATOM 0 H ALA A 117 7.000 -1.785 -2.548 1.00 -0.73 H new ATOM 0 HA ALA A 117 6.014 -0.714 -0.183 1.00 0.36 H new ATOM 0 HB1 ALA A 117 6.579 1.458 -1.245 1.00 0.00 H new ATOM 0 HB2 ALA A 117 7.857 0.248 -1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 117 6.721 0.644 -2.821 1.00 0.00 H new ATOM 1815 N ALA A 118 4.024 -0.212 -2.777 1.00 -0.73 N ATOM 1816 CA ALA A 118 2.677 0.114 -3.172 1.00 0.36 C ATOM 1817 C ALA A 118 1.701 -0.847 -2.503 1.00 0.57 C ATOM 1818 O ALA A 118 0.842 -0.380 -1.770 1.00 -0.57 O ATOM 1819 CB ALA A 118 2.575 0.084 -4.696 1.00 0.00 C ATOM 0 H ALA A 118 4.632 -0.459 -3.558 1.00 -0.73 H new ATOM 0 HA ALA A 118 2.416 1.120 -2.845 1.00 0.36 H new ATOM 0 HB1 ALA A 118 1.557 0.330 -4.997 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.266 0.812 -5.121 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.830 -0.912 -5.058 1.00 0.00 H new ATOM 1825 N THR A 119 1.860 -2.163 -2.672 1.00 -0.73 N ATOM 1826 CA THR A 119 0.977 -3.168 -2.072 1.00 0.36 C ATOM 1827 C THR A 119 0.860 -2.984 -0.564 1.00 0.57 C ATOM 1828 O THR A 119 -0.233 -3.122 -0.014 1.00 -0.57 O ATOM 1829 CB THR A 119 1.525 -4.562 -2.396 1.00 0.28 C ATOM 1830 OG1 THR A 119 1.786 -4.584 -3.766 1.00 -0.68 O ATOM 1831 CG2 THR A 119 0.564 -5.720 -2.132 1.00 0.00 C ATOM 0 H THR A 119 2.611 -2.564 -3.234 1.00 -0.73 H new ATOM 0 HA THR A 119 -0.023 -3.051 -2.490 1.00 0.36 H new ATOM 0 HB THR A 119 2.390 -4.709 -1.749 1.00 0.28 H new ATOM 0 HG1 THR A 119 2.474 -5.255 -3.957 1.00 -0.68 H new ATOM 0 HG21 THR A 119 1.048 -6.661 -2.394 1.00 0.00 H new ATOM 0 HG22 THR A 119 0.291 -5.733 -1.077 1.00 0.00 H new ATOM 0 HG23 THR A 119 -0.334 -5.593 -2.737 1.00 0.00 H new ATOM 1839 N HIS A 120 1.974 -2.633 0.090 1.00 -0.73 N ATOM 1840 CA HIS A 120 2.006 -2.354 1.507 1.00 0.36 C ATOM 1841 C HIS A 120 1.145 -1.125 1.813 1.00 0.57 C ATOM 1842 O HIS A 120 0.189 -1.226 2.583 1.00 -0.57 O ATOM 1843 CB HIS A 120 3.481 -2.231 1.955 1.00 0.17 C ATOM 1844 CG HIS A 120 3.699 -2.127 3.443 1.00 0.18 C ATOM 1845 ND1 HIS A 120 4.589 -2.857 4.212 1.00 -0.70 N ATOM 1846 CD2 HIS A 120 3.022 -1.302 4.287 1.00 0.20 C ATOM 1847 CE1 HIS A 120 4.418 -2.487 5.501 1.00 0.65 C ATOM 1848 NE2 HIS A 120 3.459 -1.546 5.561 1.00 -0.70 N ATOM 0 H HIS A 120 2.881 -2.537 -0.366 1.00 -0.73 H new ATOM 0 HA HIS A 120 1.570 -3.167 2.087 1.00 0.36 H new ATOM 0 HB2 HIS A 120 4.029 -3.097 1.584 1.00 0.17 H new ATOM 0 HB3 HIS A 120 3.915 -1.352 1.479 1.00 0.17 H new ATOM 0 HD1 HIS A 120 5.254 -3.550 3.868 1.00 -0.70 H new ATOM 0 HD2 HIS A 120 2.271 -0.580 4.002 1.00 0.20 H new ATOM 0 HE1 HIS A 120 4.963 -2.883 6.345 1.00 0.65 H new ATOM 1857 N GLU A 121 1.459 0.030 1.220 1.00 -0.73 N ATOM 1858 CA GLU A 121 0.781 1.286 1.531 1.00 0.36 C ATOM 1859 C GLU A 121 -0.699 1.230 1.127 1.00 0.57 C ATOM 1860 O GLU A 121 -1.573 1.561 1.930 1.00 -0.57 O ATOM 1861 CB GLU A 121 1.499 2.455 0.833 1.00 0.00 C ATOM 1862 CG GLU A 121 2.939 2.746 1.304 1.00 0.06 C ATOM 1863 CD GLU A 121 3.181 2.517 2.796 1.00 0.66 C ATOM 1864 OE1 GLU A 121 2.970 3.443 3.562 1.00 -0.57 O ATOM 1865 OE2 GLU A 121 3.589 1.315 3.194 1.00 -0.65 O ATOM 0 H GLU A 121 2.189 0.118 0.513 1.00 -0.73 H new ATOM 0 HA GLU A 121 0.820 1.445 2.609 1.00 0.36 H new ATOM 0 HB2 GLU A 121 1.523 2.253 -0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 121 0.903 3.357 0.974 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.626 2.117 0.738 1.00 0.06 H new ATOM 0 HG3 GLU A 121 3.183 3.781 1.065 1.00 0.06 H new ATOM 1873 N LEU A 122 -0.988 0.750 -0.085 1.00 -0.73 N ATOM 1874 CA LEU A 122 -2.342 0.579 -0.603 1.00 0.36 C ATOM 1875 C LEU A 122 -3.150 -0.405 0.224 1.00 0.57 C ATOM 1876 O LEU A 122 -4.364 -0.230 0.350 1.00 -0.57 O ATOM 1877 CB LEU A 122 -2.299 0.090 -2.055 1.00 0.00 C ATOM 1878 CG LEU A 122 -2.116 1.263 -3.040 1.00 0.00 C ATOM 1879 CD1 LEU A 122 -0.904 1.080 -3.960 1.00 0.00 C ATOM 1880 CD2 LEU A 122 -3.425 1.442 -3.813 1.00 0.00 C ATOM 0 H LEU A 122 -0.267 0.463 -0.747 1.00 -0.73 H new ATOM 0 HA LEU A 122 -2.827 1.553 -0.548 1.00 0.36 H new ATOM 0 HB2 LEU A 122 -1.481 -0.620 -2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.221 -0.442 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 122 -1.898 2.174 -2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -0.824 1.935 -4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 122 0.002 1.006 -3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -1.026 0.169 -4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.322 2.267 -4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.654 0.526 -4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.233 1.660 -3.115 1.00 0.00 H new ATOM 1892 N GLY A 123 -2.498 -1.409 0.814 1.00 -0.73 N ATOM 1893 CA GLY A 123 -3.155 -2.293 1.749 1.00 0.36 C ATOM 1894 C GLY A 123 -3.787 -1.513 2.894 1.00 0.57 C ATOM 1895 O GLY A 123 -4.943 -1.753 3.247 1.00 -0.57 O ATOM 0 H GLY A 123 -1.513 -1.622 0.653 1.00 -0.73 H new ATOM 0 HA2 GLY A 123 -3.922 -2.869 1.231 1.00 0.36 H new ATOM 0 HA3 GLY A 123 -2.434 -3.007 2.147 1.00 0.36 H new ATOM 1899 N HIS A 124 -3.075 -0.507 3.409 1.00 -0.73 N ATOM 1900 CA HIS A 124 -3.635 0.387 4.405 1.00 0.36 C ATOM 1901 C HIS A 124 -4.666 1.333 3.801 1.00 0.57 C ATOM 1902 O HIS A 124 -5.681 1.572 4.450 1.00 -0.57 O ATOM 1903 CB HIS A 124 -2.536 1.163 5.129 1.00 0.17 C ATOM 1904 CG HIS A 124 -1.508 0.258 5.747 1.00 0.18 C ATOM 1905 ND1 HIS A 124 -1.734 -0.686 6.718 1.00 -0.70 N ATOM 1906 CD2 HIS A 124 -0.181 0.196 5.427 1.00 0.20 C ATOM 1907 CE1 HIS A 124 -0.567 -1.290 6.977 1.00 0.65 C ATOM 1908 NE2 HIS A 124 0.419 -0.785 6.222 1.00 -0.70 N ATOM 0 H HIS A 124 -2.111 -0.298 3.148 1.00 -0.73 H new ATOM 0 HA HIS A 124 -4.152 -0.231 5.139 1.00 0.36 H new ATOM 0 HB2 HIS A 124 -2.047 1.837 4.425 1.00 0.17 H new ATOM 0 HB3 HIS A 124 -2.984 1.783 5.905 1.00 0.17 H new ATOM 0 HD2 HIS A 124 0.319 0.802 4.686 1.00 0.20 H new ATOM 0 HE1 HIS A 124 -0.437 -2.081 7.700 1.00 0.65 H new ATOM 0 HE2 HIS A 124 1.401 -1.059 6.227 1.00 -0.70 H new ATOM 1917 N SER A 125 -4.473 1.809 2.564 1.00 -0.73 N ATOM 1918 CA SER A 125 -5.485 2.624 1.901 1.00 0.36 C ATOM 1919 C SER A 125 -6.839 1.914 1.817 1.00 0.57 C ATOM 1920 O SER A 125 -7.864 2.573 1.955 1.00 -0.57 O ATOM 1921 CB SER A 125 -5.063 3.029 0.490 1.00 0.28 C ATOM 1922 OG SER A 125 -3.800 3.664 0.441 1.00 -0.68 O ATOM 0 H SER A 125 -3.632 1.643 2.011 1.00 -0.73 H new ATOM 0 HA SER A 125 -5.586 3.516 2.519 1.00 0.36 H new ATOM 0 HB2 SER A 125 -5.040 2.142 -0.143 1.00 0.28 H new ATOM 0 HB3 SER A 125 -5.815 3.699 0.072 1.00 0.28 H new ATOM 0 HG SER A 125 -3.876 4.571 0.804 1.00 -0.68 H new ATOM 1928 N LEU A 126 -6.881 0.590 1.612 1.00 -0.73 N ATOM 1929 CA LEU A 126 -8.142 -0.161 1.604 1.00 0.36 C ATOM 1930 C LEU A 126 -8.837 -0.179 2.974 1.00 0.57 C ATOM 1931 O LEU A 126 -10.053 -0.401 3.051 1.00 -0.57 O ATOM 1932 CB LEU A 126 -7.919 -1.603 1.098 1.00 0.00 C ATOM 1933 CG LEU A 126 -8.109 -1.810 -0.417 1.00 0.00 C ATOM 1934 CD1 LEU A 126 -9.440 -1.234 -0.920 1.00 0.00 C ATOM 1935 CD2 LEU A 126 -6.961 -1.237 -1.250 1.00 0.00 C ATOM 0 H LEU A 126 -6.053 0.017 1.449 1.00 -0.73 H new ATOM 0 HA LEU A 126 -8.807 0.362 0.917 1.00 0.36 H new ATOM 0 HB2 LEU A 126 -6.908 -1.911 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -8.605 -2.265 1.627 1.00 0.00 H new ATOM 0 HG LEU A 126 -8.117 -2.891 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.528 -1.404 -1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -10.266 -1.725 -0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -9.472 -0.163 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -7.155 -1.415 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -6.882 -0.165 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.027 -1.722 -0.965 1.00 0.00 H new ATOM 1947 N GLY A 127 -8.083 0.068 4.048 1.00 -0.73 N ATOM 1948 CA GLY A 127 -8.584 0.112 5.404 1.00 0.36 C ATOM 1949 C GLY A 127 -7.444 0.031 6.406 1.00 0.57 C ATOM 1950 O GLY A 127 -7.330 0.900 7.268 1.00 -0.57 O ATOM 0 H GLY A 127 -7.081 0.246 3.985 1.00 -0.73 H new ATOM 0 HA2 GLY A 127 -9.145 1.034 5.559 1.00 0.36 H new ATOM 0 HA3 GLY A 127 -9.276 -0.714 5.567 1.00 0.36 H new ATOM 1954 N MET A 128 -6.618 -1.012 6.277 1.00 -0.73 N ATOM 1955 CA MET A 128 -5.531 -1.397 7.171 1.00 0.36 C ATOM 1956 C MET A 128 -4.998 -2.757 6.699 1.00 0.57 C ATOM 1957 O MET A 128 -5.573 -3.380 5.806 1.00 -0.57 O ATOM 1958 CB MET A 128 -5.985 -1.498 8.642 1.00 0.00 C ATOM 1959 CG MET A 128 -7.154 -2.468 8.819 1.00 0.23 C ATOM 1960 SD MET A 128 -8.743 -1.671 9.144 1.00 -0.46 S ATOM 1961 CE MET A 128 -9.680 -2.413 7.795 1.00 0.23 C ATOM 0 H MET A 128 -6.701 -1.652 5.487 1.00 -0.73 H new ATOM 0 HA MET A 128 -4.758 -0.629 7.134 1.00 0.36 H new ATOM 0 HB2 MET A 128 -5.147 -1.825 9.258 1.00 0.00 H new ATOM 0 HB3 MET A 128 -6.277 -0.510 8.999 1.00 0.00 H new ATOM 0 HG2 MET A 128 -7.244 -3.077 7.920 1.00 0.23 H new ATOM 0 HG3 MET A 128 -6.926 -3.146 9.642 1.00 0.23 H new ATOM 0 HE1 MET A 128 -10.616 -1.871 7.661 1.00 0.23 H new ATOM 0 HE2 MET A 128 -9.097 -2.362 6.876 1.00 0.23 H new ATOM 0 HE3 MET A 128 -9.894 -3.455 8.031 1.00 0.23 H new ATOM 1971 N GLY A 129 -3.950 -3.246 7.361 1.00 -0.73 N ATOM 1972 CA GLY A 129 -3.306 -4.507 7.048 1.00 0.36 C ATOM 1973 C GLY A 129 -1.920 -4.467 7.665 1.00 0.57 C ATOM 1974 O GLY A 129 -0.967 -4.244 6.940 1.00 -0.57 O ATOM 0 H GLY A 129 -3.520 -2.759 8.148 1.00 -0.73 H new ATOM 0 HA2 GLY A 129 -3.881 -5.342 7.447 1.00 0.36 H new ATOM 0 HA3 GLY A 129 -3.243 -4.650 5.969 1.00 0.36 H new ATOM 1978 N HIS A 130 -1.814 -4.531 8.995 1.00 -0.73 N ATOM 1979 CA HIS A 130 -0.548 -4.497 9.715 1.00 0.36 C ATOM 1980 C HIS A 130 -0.501 -5.682 10.676 1.00 0.57 C ATOM 1981 O HIS A 130 -1.539 -6.249 11.031 1.00 -0.57 O ATOM 1982 CB HIS A 130 -0.401 -3.174 10.504 1.00 0.17 C ATOM 1983 CG HIS A 130 0.643 -2.201 10.022 1.00 0.18 C ATOM 1984 ND1 HIS A 130 0.732 -0.874 10.383 1.00 -0.70 N ATOM 1985 CD2 HIS A 130 1.726 -2.467 9.230 1.00 0.20 C ATOM 1986 CE1 HIS A 130 1.837 -0.362 9.822 1.00 0.65 C ATOM 1987 NE2 HIS A 130 2.480 -1.301 9.116 1.00 -0.70 N ATOM 0 H HIS A 130 -2.625 -4.609 9.609 1.00 -0.73 H new ATOM 0 HA HIS A 130 0.274 -4.558 9.002 1.00 0.36 H new ATOM 0 HB2 HIS A 130 -1.366 -2.667 10.497 1.00 0.17 H new ATOM 0 HB3 HIS A 130 -0.179 -3.422 11.542 1.00 0.17 H new ATOM 0 HD2 HIS A 130 1.957 -3.417 8.772 1.00 0.20 H new ATOM 0 HE1 HIS A 130 2.162 0.663 9.925 1.00 0.65 H new ATOM 0 HE2 HIS A 130 3.350 -1.185 8.597 1.00 -0.70 H new ATOM 1996 N SER A 131 0.713 -6.004 11.126 1.00 -0.73 N ATOM 1997 CA SER A 131 1.005 -7.120 12.005 1.00 0.36 C ATOM 1998 C SER A 131 2.339 -6.840 12.718 1.00 0.57 C ATOM 1999 O SER A 131 2.786 -5.687 12.783 1.00 -0.57 O ATOM 2000 CB SER A 131 1.029 -8.408 11.162 1.00 0.28 C ATOM 2001 OG SER A 131 0.983 -9.550 11.997 1.00 -0.68 O ATOM 0 H SER A 131 1.545 -5.470 10.875 1.00 -0.73 H new ATOM 0 HA SER A 131 0.244 -7.248 12.775 1.00 0.36 H new ATOM 0 HB2 SER A 131 0.181 -8.417 10.477 1.00 0.28 H new ATOM 0 HB3 SER A 131 1.932 -8.433 10.552 1.00 0.28 H new ATOM 0 HG SER A 131 0.997 -10.360 11.445 1.00 -0.68 H new ATOM 2007 N SER A 132 2.946 -7.898 13.267 1.00 -0.73 N ATOM 2008 CA SER A 132 4.211 -7.883 13.990 1.00 0.36 C ATOM 2009 C SER A 132 4.888 -9.263 13.861 1.00 0.57 C ATOM 2010 O SER A 132 5.123 -9.946 14.860 1.00 -0.57 O ATOM 2011 CB SER A 132 3.948 -7.464 15.449 1.00 0.28 C ATOM 2012 OG SER A 132 5.132 -6.980 16.051 1.00 -0.68 O ATOM 0 H SER A 132 2.543 -8.833 13.213 1.00 -0.73 H new ATOM 0 HA SER A 132 4.902 -7.154 13.567 1.00 0.36 H new ATOM 0 HB2 SER A 132 3.178 -6.693 15.478 1.00 0.28 H new ATOM 0 HB3 SER A 132 3.568 -8.315 16.014 1.00 0.28 H new ATOM 0 HG SER A 132 4.945 -6.717 16.976 1.00 -0.68 H new ATOM 2018 N ASP A 133 5.159 -9.708 12.623 1.00 -0.73 N ATOM 2019 CA ASP A 133 5.860 -10.969 12.344 1.00 0.36 C ATOM 2020 C ASP A 133 6.766 -10.770 11.118 1.00 0.57 C ATOM 2021 O ASP A 133 6.276 -10.186 10.147 1.00 -0.57 O ATOM 2022 CB ASP A 133 4.857 -12.104 12.066 1.00 0.06 C ATOM 2023 CG ASP A 133 5.499 -13.484 12.277 1.00 0.66 C ATOM 2024 OD1 ASP A 133 6.058 -14.016 11.332 1.00 -0.57 O ATOM 2025 OD2 ASP A 133 5.419 -13.995 13.502 1.00 -0.65 O ATOM 0 H ASP A 133 4.895 -9.197 11.781 1.00 -0.73 H new ATOM 0 HA ASP A 133 6.455 -11.246 13.214 1.00 0.36 H new ATOM 0 HB2 ASP A 133 3.994 -11.998 12.724 1.00 0.06 H new ATOM 0 HB3 ASP A 133 4.490 -12.025 11.043 1.00 0.06 H new ATOM 2031 N PRO A 134 8.040 -11.234 11.120 1.00 -0.66 N ATOM 2032 CA PRO A 134 9.045 -11.011 10.064 1.00 0.36 C ATOM 2033 C PRO A 134 8.769 -11.789 8.758 1.00 0.57 C ATOM 2034 O PRO A 134 9.670 -12.363 8.150 1.00 -0.57 O ATOM 2035 CB PRO A 134 10.399 -11.335 10.715 1.00 0.00 C ATOM 2036 CG PRO A 134 10.067 -12.323 11.829 1.00 0.00 C ATOM 2037 CD PRO A 134 8.642 -11.959 12.233 1.00 0.30 C ATOM 0 HA PRO A 134 9.020 -9.979 9.713 1.00 0.36 H new ATOM 0 HB2 PRO A 134 11.091 -11.769 9.994 1.00 0.00 H new ATOM 0 HB3 PRO A 134 10.873 -10.437 11.111 1.00 0.00 H new ATOM 0 HG2 PRO A 134 10.132 -13.354 11.481 1.00 0.00 H new ATOM 0 HG3 PRO A 134 10.757 -12.226 12.667 1.00 0.00 H new ATOM 0 HD2 PRO A 134 8.067 -12.857 12.461 1.00 0.30 H new ATOM 0 HD3 PRO A 134 8.644 -11.345 13.134 1.00 0.30 H new ATOM 2045 N ASN A 135 7.501 -11.816 8.347 1.00 -0.73 N ATOM 2046 CA ASN A 135 6.934 -12.572 7.233 1.00 0.36 C ATOM 2047 C ASN A 135 5.677 -11.903 6.683 1.00 0.57 C ATOM 2048 O ASN A 135 5.336 -12.132 5.521 1.00 -0.57 O ATOM 2049 CB ASN A 135 6.469 -13.950 7.717 1.00 0.06 C ATOM 2050 CG ASN A 135 7.611 -14.902 8.014 1.00 0.57 C ATOM 2051 OD1 ASN A 135 8.409 -15.200 7.133 1.00 -0.57 O ATOM 2052 ND2 ASN A 135 7.676 -15.408 9.242 1.00 -0.80 N ATOM 0 H ASN A 135 6.787 -11.265 8.824 1.00 -0.73 H new ATOM 0 HA ASN A 135 7.714 -12.632 6.474 1.00 0.36 H new ATOM 0 HB2 ASN A 135 5.866 -13.826 8.617 1.00 0.06 H new ATOM 0 HB3 ASN A 135 5.824 -14.394 6.959 1.00 0.06 H new ATOM 0 HD21 ASN A 135 8.412 -16.073 9.481 1.00 -0.80 H new ATOM 0 HD22 ASN A 135 6.990 -15.132 9.944 1.00 -0.80 H new ATOM 2059 N ALA A 136 4.959 -11.144 7.523 1.00 -0.73 N ATOM 2060 CA ALA A 136 3.776 -10.407 7.124 1.00 0.36 C ATOM 2061 C ALA A 136 4.108 -9.584 5.874 1.00 0.57 C ATOM 2062 O ALA A 136 5.149 -8.928 5.818 1.00 -0.57 O ATOM 2063 CB ALA A 136 3.323 -9.556 8.317 1.00 0.00 C ATOM 0 H ALA A 136 5.196 -11.031 8.509 1.00 -0.73 H new ATOM 0 HA ALA A 136 2.947 -11.063 6.857 1.00 0.36 H new ATOM 0 HB1 ALA A 136 2.433 -8.990 8.043 1.00 0.00 H new ATOM 0 HB2 ALA A 136 3.094 -10.206 9.162 1.00 0.00 H new ATOM 0 HB3 ALA A 136 4.120 -8.866 8.595 1.00 0.00 H new ATOM 2069 N VAL A 137 3.244 -9.620 4.860 1.00 -0.73 N ATOM 2070 CA VAL A 137 3.439 -8.860 3.628 1.00 0.36 C ATOM 2071 C VAL A 137 3.484 -7.347 3.921 1.00 0.57 C ATOM 2072 O VAL A 137 4.149 -6.594 3.209 1.00 -0.57 O ATOM 2073 CB VAL A 137 2.365 -9.273 2.611 1.00 0.00 C ATOM 2074 CG1 VAL A 137 0.977 -9.012 3.183 1.00 0.00 C ATOM 2075 CG2 VAL A 137 2.507 -8.608 1.233 1.00 0.00 C ATOM 0 H VAL A 137 2.390 -10.177 4.871 1.00 -0.73 H new ATOM 0 HA VAL A 137 4.406 -9.091 3.181 1.00 0.36 H new ATOM 0 HB VAL A 137 2.511 -10.339 2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 137 0.222 -9.308 2.455 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.846 -9.590 4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 137 0.869 -7.951 3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 137 1.709 -8.956 0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 137 2.441 -7.526 1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 137 3.472 -8.871 0.800 1.00 0.00 H new ATOM 2085 N MET A 138 2.854 -6.911 5.022 1.00 -0.73 N ATOM 2086 CA MET A 138 2.954 -5.562 5.543 1.00 0.36 C ATOM 2087 C MET A 138 3.754 -5.523 6.857 1.00 0.57 C ATOM 2088 O MET A 138 3.553 -4.633 7.679 1.00 -0.57 O ATOM 2089 CB MET A 138 1.561 -4.927 5.653 1.00 0.00 C ATOM 2090 CG MET A 138 1.036 -4.362 4.331 1.00 0.23 C ATOM 2091 SD MET A 138 0.226 -5.472 3.151 1.00 -0.46 S ATOM 2092 CE MET A 138 -1.202 -5.990 4.139 1.00 0.23 C ATOM 0 H MET A 138 2.248 -7.512 5.581 1.00 -0.73 H new ATOM 0 HA MET A 138 3.521 -4.952 4.840 1.00 0.36 H new ATOM 0 HB2 MET A 138 0.859 -5.674 6.023 1.00 0.00 H new ATOM 0 HB3 MET A 138 1.594 -4.127 6.392 1.00 0.00 H new ATOM 0 HG2 MET A 138 0.329 -3.568 4.572 1.00 0.23 H new ATOM 0 HG3 MET A 138 1.877 -3.895 3.818 1.00 0.23 H new ATOM 0 HE1 MET A 138 -1.935 -6.473 3.493 1.00 0.23 H new ATOM 0 HE2 MET A 138 -0.877 -6.691 4.908 1.00 0.23 H new ATOM 0 HE3 MET A 138 -1.654 -5.117 4.611 1.00 0.23 H new ATOM 2102 N TYR A 139 4.698 -6.447 7.068 1.00 -0.73 N ATOM 2103 CA TYR A 139 5.651 -6.383 8.174 1.00 0.36 C ATOM 2104 C TYR A 139 6.323 -4.991 8.215 1.00 0.57 C ATOM 2105 O TYR A 139 6.802 -4.520 7.177 1.00 -0.57 O ATOM 2106 CB TYR A 139 6.676 -7.520 8.012 1.00 0.14 C ATOM 2107 CG TYR A 139 7.924 -7.462 8.870 1.00 -0.14 C ATOM 2108 CD1 TYR A 139 7.865 -7.568 10.276 1.00 -0.15 C ATOM 2109 CD2 TYR A 139 9.169 -7.333 8.232 1.00 -0.15 C ATOM 2110 CE1 TYR A 139 9.045 -7.499 11.046 1.00 -0.15 C ATOM 2111 CE2 TYR A 139 10.351 -7.278 8.988 1.00 -0.15 C ATOM 2112 CZ TYR A 139 10.294 -7.327 10.400 1.00 0.08 C ATOM 2113 OH TYR A 139 11.452 -7.194 11.117 1.00 -0.53 O ATOM 0 H TYR A 139 4.820 -7.264 6.470 1.00 -0.73 H new ATOM 0 HA TYR A 139 5.140 -6.517 9.127 1.00 0.36 H new ATOM 0 HB2 TYR A 139 6.169 -8.462 8.219 1.00 0.14 H new ATOM 0 HB3 TYR A 139 6.986 -7.547 6.967 1.00 0.14 H new ATOM 0 HD1 TYR A 139 6.912 -7.703 10.765 1.00 -0.15 H new ATOM 0 HD2 TYR A 139 9.217 -7.276 7.155 1.00 -0.15 H new ATOM 0 HE1 TYR A 139 8.996 -7.577 12.122 1.00 -0.15 H new ATOM 0 HE2 TYR A 139 11.306 -7.198 8.490 1.00 -0.15 H new ATOM 0 HH TYR A 139 12.207 -7.087 10.502 1.00 -0.53 H new ATOM 2123 N PRO A 140 6.338 -4.301 9.374 1.00 -0.66 N ATOM 2124 CA PRO A 140 7.132 -3.092 9.569 1.00 0.36 C ATOM 2125 C PRO A 140 8.628 -3.436 9.647 1.00 0.57 C ATOM 2126 O PRO A 140 8.971 -4.598 9.821 1.00 -0.57 O ATOM 2127 CB PRO A 140 6.613 -2.469 10.871 1.00 0.00 C ATOM 2128 CG PRO A 140 6.001 -3.633 11.654 1.00 0.00 C ATOM 2129 CD PRO A 140 5.641 -4.674 10.598 1.00 0.30 C ATOM 0 HA PRO A 140 7.033 -2.392 8.739 1.00 0.36 H new ATOM 0 HB2 PRO A 140 7.420 -1.998 11.432 1.00 0.00 H new ATOM 0 HB3 PRO A 140 5.871 -1.696 10.670 1.00 0.00 H new ATOM 0 HG2 PRO A 140 6.708 -4.035 12.380 1.00 0.00 H new ATOM 0 HG3 PRO A 140 5.120 -3.314 12.210 1.00 0.00 H new ATOM 0 HD2 PRO A 140 5.939 -5.671 10.923 1.00 0.30 H new ATOM 0 HD3 PRO A 140 4.564 -4.701 10.435 1.00 0.30 H new ATOM 2137 N THR A 141 9.524 -2.443 9.582 1.00 -0.73 N ATOM 2138 CA THR A 141 10.978 -2.657 9.630 1.00 0.36 C ATOM 2139 C THR A 141 11.440 -3.512 8.430 1.00 0.57 C ATOM 2140 O THR A 141 11.806 -4.677 8.585 1.00 -0.57 O ATOM 2141 CB THR A 141 11.407 -3.220 11.012 1.00 0.28 C ATOM 2142 OG1 THR A 141 10.869 -2.441 12.072 1.00 -0.68 O ATOM 2143 CG2 THR A 141 12.932 -3.250 11.193 1.00 0.00 C ATOM 0 H THR A 141 9.260 -1.462 9.494 1.00 -0.73 H new ATOM 0 HA THR A 141 11.491 -1.700 9.530 1.00 0.36 H new ATOM 0 HB THR A 141 11.021 -4.239 11.042 1.00 0.28 H new ATOM 0 HG1 THR A 141 11.153 -2.818 12.931 1.00 -0.68 H new ATOM 0 HG21 THR A 141 13.174 -3.653 12.177 1.00 0.00 H new ATOM 0 HG22 THR A 141 13.377 -3.880 10.423 1.00 0.00 H new ATOM 0 HG23 THR A 141 13.329 -2.238 11.108 1.00 0.00 H new ATOM 2151 N TYR A 142 11.396 -2.919 7.226 1.00 -0.73 N ATOM 2152 CA TYR A 142 11.804 -3.526 5.953 1.00 0.36 C ATOM 2153 C TYR A 142 13.090 -4.345 6.091 1.00 0.57 C ATOM 2154 O TYR A 142 14.115 -3.822 6.530 1.00 -0.57 O ATOM 2155 CB TYR A 142 11.994 -2.410 4.919 1.00 0.14 C ATOM 2156 CG TYR A 142 12.291 -2.846 3.497 1.00 -0.14 C ATOM 2157 CD1 TYR A 142 11.291 -3.489 2.743 1.00 -0.15 C ATOM 2158 CD2 TYR A 142 13.528 -2.532 2.897 1.00 -0.15 C ATOM 2159 CE1 TYR A 142 11.506 -3.780 1.385 1.00 -0.15 C ATOM 2160 CE2 TYR A 142 13.752 -2.829 1.539 1.00 -0.15 C ATOM 2161 CZ TYR A 142 12.736 -3.440 0.773 1.00 0.08 C ATOM 2162 OH TYR A 142 12.938 -3.687 -0.552 1.00 -0.53 O ATOM 0 H TYR A 142 11.060 -1.963 7.111 1.00 -0.73 H new ATOM 0 HA TYR A 142 11.024 -4.216 5.631 1.00 0.36 H new ATOM 0 HB2 TYR A 142 11.091 -1.799 4.907 1.00 0.14 H new ATOM 0 HB3 TYR A 142 12.808 -1.768 5.256 1.00 0.14 H new ATOM 0 HD1 TYR A 142 10.355 -3.760 3.210 1.00 -0.15 H new ATOM 0 HD2 TYR A 142 14.306 -2.062 3.481 1.00 -0.15 H new ATOM 0 HE1 TYR A 142 10.732 -4.264 0.808 1.00 -0.15 H new ATOM 0 HE2 TYR A 142 14.701 -2.589 1.083 1.00 -0.15 H new ATOM 0 HH TYR A 142 13.836 -3.390 -0.807 1.00 -0.53 H new ATOM 2172 N GLY A 143 13.038 -5.628 5.716 1.00 -0.73 N ATOM 2173 CA GLY A 143 14.128 -6.555 5.970 1.00 0.36 C ATOM 2174 C GLY A 143 13.755 -7.942 5.471 1.00 0.57 C ATOM 2175 O GLY A 143 13.644 -8.132 4.263 1.00 -0.57 O ATOM 0 H GLY A 143 12.242 -6.043 5.232 1.00 -0.73 H new ATOM 0 HA2 GLY A 143 15.034 -6.211 5.470 1.00 0.36 H new ATOM 0 HA3 GLY A 143 14.346 -6.590 7.037 1.00 0.36 H new ATOM 2179 N ASN A 144 13.554 -8.897 6.392 1.00 -0.73 N ATOM 2180 CA ASN A 144 13.231 -10.294 6.070 1.00 0.36 C ATOM 2181 C ASN A 144 12.068 -10.445 5.080 1.00 0.57 C ATOM 2182 O ASN A 144 12.118 -11.341 4.241 1.00 -0.57 O ATOM 2183 CB ASN A 144 12.865 -11.064 7.356 1.00 0.06 C ATOM 2184 CG ASN A 144 13.950 -12.012 7.865 1.00 0.57 C ATOM 2185 OD1 ASN A 144 15.123 -11.667 7.987 1.00 -0.57 O ATOM 2186 ND2 ASN A 144 13.568 -13.232 8.216 1.00 -0.80 N ATOM 0 H ASN A 144 13.612 -8.717 7.394 1.00 -0.73 H new ATOM 0 HA ASN A 144 14.126 -10.702 5.600 1.00 0.36 H new ATOM 0 HB2 ASN A 144 12.634 -10.344 8.141 1.00 0.06 H new ATOM 0 HB3 ASN A 144 11.957 -11.638 7.173 1.00 0.06 H new ATOM 0 HD21 ASN A 144 14.250 -13.892 8.590 1.00 -0.80 H new ATOM 0 HD22 ASN A 144 12.592 -13.511 8.112 1.00 -0.80 H new ATOM 2193 N GLY A 145 11.022 -9.617 5.227 1.00 -0.73 N ATOM 2194 CA GLY A 145 9.804 -9.610 4.416 1.00 0.36 C ATOM 2195 C GLY A 145 10.107 -9.477 2.924 1.00 0.57 C ATOM 2196 O GLY A 145 10.204 -8.350 2.442 1.00 -0.57 O ATOM 0 H GLY A 145 11.006 -8.900 5.952 1.00 -0.73 H new ATOM 0 HA2 GLY A 145 9.247 -10.530 4.592 1.00 0.36 H new ATOM 0 HA3 GLY A 145 9.164 -8.785 4.730 1.00 0.36 H new ATOM 2200 N ASP A 146 10.302 -10.615 2.236 1.00 -0.73 N ATOM 2201 CA ASP A 146 10.818 -10.682 0.867 1.00 0.36 C ATOM 2202 C ASP A 146 9.928 -9.858 -0.069 1.00 0.57 C ATOM 2203 O ASP A 146 8.796 -10.256 -0.355 1.00 -0.57 O ATOM 2204 CB ASP A 146 10.961 -12.131 0.376 1.00 0.06 C ATOM 2205 CG ASP A 146 11.665 -12.243 -0.996 1.00 0.66 C ATOM 2206 OD1 ASP A 146 11.221 -11.636 -1.957 1.00 -0.57 O ATOM 2207 OD2 ASP A 146 12.711 -13.057 -1.108 1.00 -0.65 O ATOM 0 H ASP A 146 10.099 -11.534 2.630 1.00 -0.73 H new ATOM 0 HA ASP A 146 11.820 -10.253 0.862 1.00 0.36 H new ATOM 0 HB2 ASP A 146 11.523 -12.704 1.113 1.00 0.06 H new ATOM 0 HB3 ASP A 146 9.972 -12.584 0.308 1.00 0.06 H new ATOM 2213 N PRO A 147 10.408 -8.697 -0.543 1.00 -0.66 N ATOM 2214 CA PRO A 147 9.570 -7.785 -1.293 1.00 0.36 C ATOM 2215 C PRO A 147 9.258 -8.310 -2.697 1.00 0.57 C ATOM 2216 O PRO A 147 8.239 -7.952 -3.290 1.00 -0.57 O ATOM 2217 CB PRO A 147 10.335 -6.468 -1.330 1.00 0.00 C ATOM 2218 CG PRO A 147 11.774 -6.772 -0.908 1.00 0.00 C ATOM 2219 CD PRO A 147 11.759 -8.191 -0.370 1.00 0.30 C ATOM 0 HA PRO A 147 8.594 -7.665 -0.822 1.00 0.36 H new ATOM 0 HB2 PRO A 147 10.310 -6.036 -2.330 1.00 0.00 H new ATOM 0 HB3 PRO A 147 9.882 -5.740 -0.657 1.00 0.00 H new ATOM 0 HG2 PRO A 147 12.456 -6.682 -1.753 1.00 0.00 H new ATOM 0 HG3 PRO A 147 12.115 -6.070 -0.147 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.476 -8.814 -0.905 1.00 0.30 H new ATOM 0 HD3 PRO A 147 12.045 -8.208 0.682 1.00 0.30 H new ATOM 2227 N GLN A 148 10.129 -9.170 -3.237 1.00 -0.73 N ATOM 2228 CA GLN A 148 9.976 -9.744 -4.563 1.00 0.36 C ATOM 2229 C GLN A 148 9.055 -10.976 -4.526 1.00 0.57 C ATOM 2230 O GLN A 148 8.808 -11.555 -5.583 1.00 -0.57 O ATOM 2231 CB GLN A 148 11.368 -10.036 -5.172 1.00 0.00 C ATOM 2232 CG GLN A 148 12.089 -8.772 -5.683 1.00 0.06 C ATOM 2233 CD GLN A 148 12.716 -7.938 -4.567 1.00 0.57 C ATOM 2234 OE1 GLN A 148 12.200 -6.882 -4.229 1.00 -0.57 O ATOM 2235 NE2 GLN A 148 13.818 -8.378 -3.977 1.00 -0.80 N ATOM 0 H GLN A 148 10.969 -9.486 -2.752 1.00 -0.73 H new ATOM 0 HA GLN A 148 9.485 -9.026 -5.219 1.00 0.36 H new ATOM 0 HB2 GLN A 148 11.991 -10.522 -4.421 1.00 0.00 H new ATOM 0 HB3 GLN A 148 11.255 -10.740 -5.997 1.00 0.00 H new ATOM 0 HG2 GLN A 148 12.867 -9.066 -6.387 1.00 0.06 H new ATOM 0 HG3 GLN A 148 11.378 -8.155 -6.232 1.00 0.06 H new ATOM 0 HE21 GLN A 148 14.236 -9.261 -4.271 1.00 -0.80 H new ATOM 0 HE22 GLN A 148 14.248 -7.834 -3.229 1.00 -0.80 H new ATOM 2244 N ASN A 149 8.484 -11.340 -3.364 1.00 -0.73 N ATOM 2245 CA ASN A 149 7.663 -12.532 -3.139 1.00 0.36 C ATOM 2246 C ASN A 149 6.374 -12.105 -2.420 1.00 0.57 C ATOM 2247 O ASN A 149 6.223 -12.305 -1.218 1.00 -0.57 O ATOM 2248 CB ASN A 149 8.444 -13.586 -2.325 1.00 0.06 C ATOM 2249 CG ASN A 149 9.297 -14.521 -3.171 1.00 0.57 C ATOM 2250 OD1 ASN A 149 8.852 -15.612 -3.528 1.00 -0.57 O ATOM 2251 ND2 ASN A 149 10.532 -14.130 -3.474 1.00 -0.80 N ATOM 0 H ASN A 149 8.591 -10.780 -2.518 1.00 -0.73 H new ATOM 0 HA ASN A 149 7.406 -12.995 -4.092 1.00 0.36 H new ATOM 0 HB2 ASN A 149 9.087 -13.073 -1.610 1.00 0.06 H new ATOM 0 HB3 ASN A 149 7.736 -14.181 -1.748 1.00 0.06 H new ATOM 0 HD21 ASN A 149 11.141 -14.741 -4.018 1.00 -0.80 H new ATOM 0 HD22 ASN A 149 10.869 -13.219 -3.162 1.00 -0.80 H new ATOM 2258 N PHE A 150 5.450 -11.491 -3.167 1.00 -0.73 N ATOM 2259 CA PHE A 150 4.194 -10.935 -2.651 1.00 0.36 C ATOM 2260 C PHE A 150 3.377 -11.939 -1.841 1.00 0.57 C ATOM 2261 O PHE A 150 3.152 -11.728 -0.653 1.00 -0.57 O ATOM 2262 CB PHE A 150 3.337 -10.474 -3.837 1.00 0.14 C ATOM 2263 CG PHE A 150 3.508 -9.040 -4.240 1.00 -0.14 C ATOM 2264 CD1 PHE A 150 4.777 -8.430 -4.285 1.00 -0.15 C ATOM 2265 CD2 PHE A 150 2.359 -8.320 -4.596 1.00 -0.15 C ATOM 2266 CE1 PHE A 150 4.885 -7.100 -4.701 1.00 -0.15 C ATOM 2267 CE2 PHE A 150 2.480 -7.019 -5.083 1.00 -0.15 C ATOM 2268 CZ PHE A 150 3.739 -6.408 -5.131 1.00 -0.15 C ATOM 0 H PHE A 150 5.558 -11.364 -4.173 1.00 -0.73 H new ATOM 0 HA PHE A 150 4.460 -10.113 -1.987 1.00 0.36 H new ATOM 0 HB2 PHE A 150 3.568 -11.104 -4.696 1.00 0.14 H new ATOM 0 HB3 PHE A 150 2.288 -10.641 -3.591 1.00 0.14 H new ATOM 0 HD1 PHE A 150 5.659 -8.985 -4.001 1.00 -0.15 H new ATOM 0 HD2 PHE A 150 1.383 -8.772 -4.493 1.00 -0.15 H new ATOM 0 HE1 PHE A 150 5.845 -6.606 -4.692 1.00 -0.15 H new ATOM 0 HE2 PHE A 150 1.605 -6.484 -5.422 1.00 -0.15 H new ATOM 0 HZ PHE A 150 3.831 -5.398 -5.501 1.00 -0.15 H new ATOM 2278 N LYS A 151 2.922 -12.984 -2.551 1.00 -0.73 N ATOM 2279 CA LYS A 151 2.214 -14.175 -2.092 1.00 0.36 C ATOM 2280 C LYS A 151 1.508 -13.961 -0.753 1.00 0.57 C ATOM 2281 O LYS A 151 2.027 -14.389 0.273 1.00 -0.57 O ATOM 2282 CB LYS A 151 3.202 -15.357 -2.062 1.00 0.00 C ATOM 2283 CG LYS A 151 3.849 -15.649 -3.431 1.00 0.00 C ATOM 2284 CD LYS A 151 2.850 -16.175 -4.478 1.00 0.00 C ATOM 2285 CE LYS A 151 3.024 -17.681 -4.703 1.00 0.50 C ATOM 2286 NZ LYS A 151 3.609 -17.998 -6.025 1.00 -0.85 N ATOM 0 H LYS A 151 3.058 -13.012 -3.561 1.00 -0.73 H new ATOM 0 HA LYS A 151 1.412 -14.403 -2.794 1.00 0.36 H new ATOM 0 HB2 LYS A 151 3.987 -15.147 -1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 151 2.679 -16.249 -1.718 1.00 0.00 H new ATOM 0 HG2 LYS A 151 4.313 -14.737 -3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 151 4.646 -16.381 -3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 151 1.832 -15.969 -4.148 1.00 0.00 H new ATOM 0 HD3 LYS A 151 2.993 -15.645 -5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 151 3.663 -18.090 -3.920 1.00 0.50 H new ATOM 0 HE3 LYS A 151 2.055 -18.172 -4.612 1.00 0.50 H new ATOM 0 HZ1 LYS A 151 3.705 -19.029 -6.124 1.00 -0.85 H new ATOM 0 HZ2 LYS A 151 2.988 -17.634 -6.776 1.00 -0.85 H new ATOM 0 HZ3 LYS A 151 4.546 -17.554 -6.105 1.00 -0.85 H new ATOM 2300 N LEU A 152 0.353 -13.274 -0.810 1.00 -0.73 N ATOM 2301 CA LEU A 152 -0.492 -12.856 0.308 1.00 0.36 C ATOM 2302 C LEU A 152 -0.525 -13.958 1.383 1.00 0.57 C ATOM 2303 O LEU A 152 -1.245 -14.938 1.218 1.00 -0.57 O ATOM 2304 CB LEU A 152 -1.913 -12.490 -0.201 1.00 0.00 C ATOM 2305 CG LEU A 152 -2.028 -11.201 -1.057 1.00 0.00 C ATOM 2306 CD1 LEU A 152 -1.802 -11.457 -2.554 1.00 0.00 C ATOM 2307 CD2 LEU A 152 -3.420 -10.546 -0.952 1.00 0.00 C ATOM 0 H LEU A 152 -0.036 -12.978 -1.705 1.00 -0.73 H new ATOM 0 HA LEU A 152 -0.073 -11.961 0.768 1.00 0.36 H new ATOM 0 HB2 LEU A 152 -2.291 -13.326 -0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -2.569 -12.386 0.663 1.00 0.00 H new ATOM 0 HG LEU A 152 -1.253 -10.550 -0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -1.895 -10.519 -3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -0.804 -11.869 -2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.546 -12.165 -2.918 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -3.447 -9.648 -1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -4.179 -11.247 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -3.619 -10.279 0.086 1.00 0.00 H new ATOM 2319 N SER A 153 0.311 -13.833 2.428 1.00 -0.73 N ATOM 2320 CA SER A 153 0.668 -14.942 3.317 1.00 0.36 C ATOM 2321 C SER A 153 -0.471 -15.318 4.276 1.00 0.57 C ATOM 2322 O SER A 153 -1.272 -16.206 3.983 1.00 -0.57 O ATOM 2323 CB SER A 153 1.945 -14.572 4.095 1.00 0.28 C ATOM 2324 OG SER A 153 3.068 -14.523 3.250 1.00 -0.68 O ATOM 0 H SER A 153 0.759 -12.951 2.678 1.00 -0.73 H new ATOM 0 HA SER A 153 0.851 -15.824 2.704 1.00 0.36 H new ATOM 0 HB2 SER A 153 1.810 -13.605 4.579 1.00 0.28 H new ATOM 0 HB3 SER A 153 2.115 -15.303 4.886 1.00 0.28 H new ATOM 0 HG SER A 153 2.773 -14.482 2.316 1.00 -0.68 H new ATOM 2330 N GLN A 154 -0.527 -14.646 5.431 1.00 -0.73 N ATOM 2331 CA GLN A 154 -1.645 -14.685 6.361 1.00 0.36 C ATOM 2332 C GLN A 154 -1.946 -13.285 6.883 1.00 0.57 C ATOM 2333 O GLN A 154 -3.105 -13.037 7.147 1.00 -0.57 O ATOM 2334 CB GLN A 154 -1.439 -15.661 7.537 1.00 0.00 C ATOM 2335 CG GLN A 154 -1.388 -17.141 7.104 1.00 0.06 C ATOM 2336 CD GLN A 154 -1.738 -18.159 8.206 1.00 0.57 C ATOM 2337 OE1 GLN A 154 -2.206 -17.823 9.290 1.00 -0.57 O ATOM 2338 NE2 GLN A 154 -1.542 -19.453 7.961 1.00 -0.80 N ATOM 0 H GLN A 154 0.232 -14.043 5.748 1.00 -0.73 H new ATOM 0 HA GLN A 154 -2.498 -15.063 5.797 1.00 0.36 H new ATOM 0 HB2 GLN A 154 -0.511 -15.408 8.051 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -2.248 -15.528 8.256 1.00 0.00 H new ATOM 0 HG2 GLN A 154 -2.075 -17.283 6.269 1.00 0.06 H new ATOM 0 HG3 GLN A 154 -0.387 -17.360 6.734 1.00 0.06 H new ATOM 0 HE21 GLN A 154 -1.154 -19.749 7.065 1.00 -0.80 H new ATOM 0 HE22 GLN A 154 -1.780 -20.148 8.669 1.00 -0.80 H new ATOM 2347 N ASP A 155 -0.984 -12.354 6.967 1.00 -0.73 N ATOM 2348 CA ASP A 155 -1.244 -10.951 7.311 1.00 0.36 C ATOM 2349 C ASP A 155 -2.247 -10.316 6.340 1.00 0.57 C ATOM 2350 O ASP A 155 -3.305 -9.838 6.760 1.00 -0.57 O ATOM 2351 CB ASP A 155 0.106 -10.228 7.292 1.00 0.06 C ATOM 2352 CG ASP A 155 0.027 -8.703 7.221 1.00 0.66 C ATOM 2353 OD1 ASP A 155 0.757 -8.190 6.389 1.00 -0.57 O ATOM 2354 OD2 ASP A 155 -0.731 -8.056 8.101 1.00 -0.65 O ATOM 0 H ASP A 155 0.001 -12.556 6.797 1.00 -0.73 H new ATOM 0 HA ASP A 155 -1.698 -10.873 8.299 1.00 0.36 H new ATOM 0 HB2 ASP A 155 0.661 -10.506 8.188 1.00 0.06 H new ATOM 0 HB3 ASP A 155 0.680 -10.586 6.437 1.00 0.06 H new ATOM 2360 N ASP A 156 -1.952 -10.399 5.035 1.00 -0.73 N ATOM 2361 CA ASP A 156 -2.818 -9.835 4.004 1.00 0.36 C ATOM 2362 C ASP A 156 -4.170 -10.529 4.031 1.00 0.57 C ATOM 2363 O ASP A 156 -5.207 -9.884 4.149 1.00 -0.57 O ATOM 2364 CB ASP A 156 -2.226 -10.025 2.597 1.00 0.06 C ATOM 2365 CG ASP A 156 -2.360 -8.762 1.746 1.00 0.66 C ATOM 2366 OD1 ASP A 156 -3.370 -8.102 1.927 1.00 -0.57 O ATOM 2367 OD2 ASP A 156 -1.422 -8.495 0.841 1.00 -0.65 O ATOM 0 H ASP A 156 -1.115 -10.855 4.673 1.00 -0.73 H new ATOM 0 HA ASP A 156 -2.916 -8.770 4.214 1.00 0.36 H new ATOM 0 HB2 ASP A 156 -1.174 -10.297 2.680 1.00 0.06 H new ATOM 0 HB3 ASP A 156 -2.731 -10.853 2.100 1.00 0.06 H new ATOM 2373 N ILE A 157 -4.132 -11.865 3.959 1.00 -0.73 N ATOM 2374 CA ILE A 157 -5.314 -12.705 3.876 1.00 0.36 C ATOM 2375 C ILE A 157 -6.175 -12.478 5.112 1.00 0.57 C ATOM 2376 O ILE A 157 -7.386 -12.387 4.975 1.00 -0.57 O ATOM 2377 CB ILE A 157 -4.906 -14.184 3.700 1.00 0.00 C ATOM 2378 CG1 ILE A 157 -4.180 -14.441 2.363 1.00 0.00 C ATOM 2379 CG2 ILE A 157 -6.100 -15.139 3.831 1.00 0.00 C ATOM 2380 CD1 ILE A 157 -4.952 -14.063 1.088 1.00 0.00 C ATOM 0 H ILE A 157 -3.260 -12.394 3.957 1.00 -0.73 H new ATOM 0 HA ILE A 157 -5.908 -12.438 3.002 1.00 0.36 H new ATOM 0 HB ILE A 157 -4.209 -14.390 4.513 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -3.241 -13.888 2.371 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -3.926 -15.500 2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -5.760 -16.166 3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -6.548 -15.029 4.819 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -6.841 -14.901 3.068 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -4.342 -14.288 0.213 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -5.879 -14.634 1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -5.183 -12.998 1.105 1.00 0.00 H new ATOM 2392 N LYS A 158 -5.587 -12.350 6.301 1.00 -0.73 N ATOM 2393 CA LYS A 158 -6.317 -12.089 7.530 1.00 0.36 C ATOM 2394 C LYS A 158 -6.980 -10.727 7.479 1.00 0.57 C ATOM 2395 O LYS A 158 -8.129 -10.634 7.896 1.00 -0.57 O ATOM 2396 CB LYS A 158 -5.362 -12.184 8.720 1.00 0.00 C ATOM 2397 CG LYS A 158 -6.029 -11.903 10.066 1.00 0.00 C ATOM 2398 CD LYS A 158 -5.248 -12.527 11.229 1.00 0.00 C ATOM 2399 CE LYS A 158 -5.454 -14.049 11.334 1.00 0.50 C ATOM 2400 NZ LYS A 158 -4.437 -14.855 10.616 1.00 -0.85 N ATOM 0 H LYS A 158 -4.579 -12.426 6.434 1.00 -0.73 H new ATOM 0 HA LYS A 158 -7.102 -12.837 7.645 1.00 0.36 H new ATOM 0 HB2 LYS A 158 -4.923 -13.181 8.743 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -4.544 -11.478 8.575 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -6.106 -10.826 10.216 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -7.045 -12.297 10.058 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -4.186 -12.316 11.103 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -5.558 -12.057 12.163 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -5.448 -14.333 12.386 1.00 0.50 H new ATOM 0 HE3 LYS A 158 -6.440 -14.298 10.942 1.00 0.50 H new ATOM 0 HZ1 LYS A 158 -4.897 -15.400 9.859 1.00 -0.85 H new ATOM 0 HZ2 LYS A 158 -3.722 -14.223 10.202 1.00 -0.85 H new ATOM 0 HZ3 LYS A 158 -3.978 -15.508 11.282 1.00 -0.85 H new ATOM 2414 N GLY A 159 -6.293 -9.689 6.992 1.00 -0.73 N ATOM 2415 CA GLY A 159 -6.928 -8.404 6.753 1.00 0.36 C ATOM 2416 C GLY A 159 -8.084 -8.585 5.773 1.00 0.57 C ATOM 2417 O GLY A 159 -9.234 -8.389 6.145 1.00 -0.57 O ATOM 0 H GLY A 159 -5.301 -9.720 6.758 1.00 -0.73 H new ATOM 0 HA2 GLY A 159 -7.294 -7.987 7.691 1.00 0.36 H new ATOM 0 HA3 GLY A 159 -6.203 -7.697 6.351 1.00 0.36 H new ATOM 2421 N ILE A 160 -7.795 -9.035 4.555 1.00 -0.73 N ATOM 2422 CA ILE A 160 -8.749 -9.186 3.462 1.00 0.36 C ATOM 2423 C ILE A 160 -9.974 -10.022 3.855 1.00 0.57 C ATOM 2424 O ILE A 160 -11.113 -9.610 3.607 1.00 -0.57 O ATOM 2425 CB ILE A 160 -7.965 -9.745 2.246 1.00 0.00 C ATOM 2426 CG1 ILE A 160 -7.293 -8.607 1.449 1.00 0.00 C ATOM 2427 CG2 ILE A 160 -8.778 -10.669 1.332 1.00 0.00 C ATOM 2428 CD1 ILE A 160 -8.284 -7.691 0.725 1.00 0.00 C ATOM 0 H ILE A 160 -6.850 -9.316 4.293 1.00 -0.73 H new ATOM 0 HA ILE A 160 -9.183 -8.222 3.196 1.00 0.36 H new ATOM 0 HB ILE A 160 -7.190 -10.384 2.670 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -6.689 -8.007 2.129 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -6.612 -9.041 0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -8.150 -11.012 0.510 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -9.129 -11.528 1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -9.634 -10.125 0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -7.737 -6.916 0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -8.872 -8.277 0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -8.949 -7.227 1.453 1.00 0.00 H new ATOM 2440 N GLN A 161 -9.762 -11.175 4.496 1.00 -0.73 N ATOM 2441 CA GLN A 161 -10.838 -12.050 4.929 1.00 0.36 C ATOM 2442 C GLN A 161 -11.622 -11.425 6.088 1.00 0.57 C ATOM 2443 O GLN A 161 -12.832 -11.623 6.171 1.00 -0.57 O ATOM 2444 CB GLN A 161 -10.311 -13.446 5.311 1.00 0.00 C ATOM 2445 CG GLN A 161 -9.928 -14.307 4.090 1.00 0.06 C ATOM 2446 CD GLN A 161 -9.382 -15.689 4.475 1.00 0.57 C ATOM 2447 OE1 GLN A 161 -9.250 -16.030 5.647 1.00 -0.57 O ATOM 2448 NE2 GLN A 161 -9.060 -16.534 3.501 1.00 -0.80 N ATOM 0 H GLN A 161 -8.831 -11.523 4.727 1.00 -0.73 H new ATOM 0 HA GLN A 161 -11.519 -12.174 4.087 1.00 0.36 H new ATOM 0 HB2 GLN A 161 -9.439 -13.334 5.956 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -11.072 -13.968 5.891 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -10.804 -14.433 3.453 1.00 0.06 H new ATOM 0 HG3 GLN A 161 -9.179 -13.778 3.501 1.00 0.06 H new ATOM 0 HE21 GLN A 161 -9.168 -16.254 2.526 1.00 -0.80 H new ATOM 0 HE22 GLN A 161 -8.704 -17.463 3.728 1.00 -0.80 H new ATOM 2457 N LYS A 162 -10.972 -10.635 6.952 1.00 -0.73 N ATOM 2458 CA LYS A 162 -11.662 -9.870 7.991 1.00 0.36 C ATOM 2459 C LYS A 162 -12.449 -8.702 7.388 1.00 0.57 C ATOM 2460 O LYS A 162 -13.468 -8.306 7.944 1.00 -0.57 O ATOM 2461 CB LYS A 162 -10.623 -9.395 9.016 1.00 0.00 C ATOM 2462 CG LYS A 162 -11.210 -8.802 10.302 1.00 0.00 C ATOM 2463 CD LYS A 162 -10.824 -9.610 11.553 1.00 0.00 C ATOM 2464 CE LYS A 162 -9.431 -9.282 12.121 1.00 0.50 C ATOM 2465 NZ LYS A 162 -8.291 -9.735 11.290 1.00 -0.85 N ATOM 0 H LYS A 162 -9.960 -10.510 6.949 1.00 -0.73 H new ATOM 0 HA LYS A 162 -12.394 -10.503 8.493 1.00 0.36 H new ATOM 0 HB2 LYS A 162 -9.983 -10.237 9.280 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -9.986 -8.646 8.546 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -10.864 -7.775 10.416 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -12.296 -8.765 10.218 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -11.569 -9.433 12.328 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -10.862 -10.672 11.310 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -9.356 -8.203 12.256 1.00 0.50 H new ATOM 0 HE3 LYS A 162 -9.343 -9.734 13.109 1.00 0.50 H new ATOM 0 HZ1 LYS A 162 -7.399 -9.546 11.791 1.00 -0.85 H new ATOM 0 HZ2 LYS A 162 -8.377 -10.756 11.109 1.00 -0.85 H new ATOM 0 HZ3 LYS A 162 -8.295 -9.222 10.386 1.00 -0.85 H new ATOM 2479 N LEU A 163 -11.993 -8.147 6.258 1.00 -0.73 N ATOM 2480 CA LEU A 163 -12.706 -7.090 5.559 1.00 0.36 C ATOM 2481 C LEU A 163 -13.984 -7.654 4.937 1.00 0.57 C ATOM 2482 O LEU A 163 -15.067 -7.204 5.311 1.00 -0.57 O ATOM 2483 CB LEU A 163 -11.815 -6.416 4.493 1.00 0.00 C ATOM 2484 CG LEU A 163 -11.075 -5.128 4.896 1.00 0.00 C ATOM 2485 CD1 LEU A 163 -11.998 -4.040 5.447 1.00 0.00 C ATOM 2486 CD2 LEU A 163 -9.959 -5.364 5.909 1.00 0.00 C ATOM 0 H LEU A 163 -11.120 -8.423 5.809 1.00 -0.73 H new ATOM 0 HA LEU A 163 -12.977 -6.319 6.280 1.00 0.36 H new ATOM 0 HB2 LEU A 163 -11.071 -7.143 4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -12.438 -6.189 3.628 1.00 0.00 H new ATOM 0 HG LEU A 163 -10.641 -4.783 3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -11.409 -3.162 5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -12.734 -3.769 4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -12.510 -4.412 6.334 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -9.479 -4.415 6.149 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -10.377 -5.799 6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -9.222 -6.047 5.486 1.00 0.00 H new ATOM 2498 N TYR A 164 -13.873 -8.615 4.005 1.00 -0.73 N ATOM 2499 CA TYR A 164 -15.029 -9.090 3.228 1.00 0.36 C ATOM 2500 C TYR A 164 -14.975 -10.602 2.950 1.00 0.57 C ATOM 2501 O TYR A 164 -15.619 -11.066 2.003 1.00 -0.57 O ATOM 2502 CB TYR A 164 -15.215 -8.287 1.914 1.00 0.14 C ATOM 2503 CG TYR A 164 -14.812 -6.821 1.934 1.00 -0.14 C ATOM 2504 CD1 TYR A 164 -15.491 -5.874 2.724 1.00 -0.15 C ATOM 2505 CD2 TYR A 164 -13.678 -6.430 1.207 1.00 -0.15 C ATOM 2506 CE1 TYR A 164 -14.971 -4.571 2.866 1.00 -0.15 C ATOM 2507 CE2 TYR A 164 -13.150 -5.142 1.335 1.00 -0.15 C ATOM 2508 CZ TYR A 164 -13.779 -4.217 2.185 1.00 0.08 C ATOM 2509 OH TYR A 164 -13.190 -3.007 2.355 1.00 -0.53 O ATOM 0 H TYR A 164 -12.995 -9.078 3.772 1.00 -0.73 H new ATOM 0 HA TYR A 164 -15.904 -8.912 3.853 1.00 0.36 H new ATOM 0 HB2 TYR A 164 -14.643 -8.784 1.130 1.00 0.14 H new ATOM 0 HB3 TYR A 164 -16.265 -8.345 1.628 1.00 0.14 H new ATOM 0 HD1 TYR A 164 -16.410 -6.146 3.221 1.00 -0.15 H new ATOM 0 HD2 TYR A 164 -13.206 -7.135 0.538 1.00 -0.15 H new ATOM 0 HE1 TYR A 164 -15.477 -3.848 3.489 1.00 -0.15 H new ATOM 0 HE2 TYR A 164 -12.265 -4.860 0.784 1.00 -0.15 H new ATOM 0 HH TYR A 164 -12.382 -2.956 1.803 1.00 -0.53 H new