USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 648 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 70 HIS : no HE2:sc= -0.346 X(o=-1.3,f=-0.88) USER MOD Set 1.2: A 90 TYR OH : rot 95:sc= -0.953 USER MOD Single : A 11 SER OG : rot 180:sc= -0.195 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -147:sc= -5.08! (180deg=-9.21!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot -34:sc= 0.805 USER MOD Single : A 32 THR OG1 : rot 79:sc= 1.04 USER MOD Single : A 33 MET CE :methyl 180:sc= -0.984 (180deg=-0.984) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -163:sc= -0.0362 (180deg=-0.343) USER MOD Single : A 39 SER OG : rot -17:sc= 0.69 USER MOD Single : A 41 LYS NZ :NH3+ 179:sc= 1.17 (180deg=1.1) USER MOD Single : A 45 ASN : amide:sc= 0.235 K(o=0.24,f=-4!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.935 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.922 USER MOD Single : A 55 CYS SG : rot -110:sc= -1.03 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.723) USER MOD Single : A 68 CYS SG : rot -160:sc= -1.7 USER MOD Single : A 71 LYS NZ :NH3+ -133:sc= -1.45! (180deg=-3.67!) USER MOD Single : A 73 ASN : amide:sc= -1.19! C(o=-1.2!,f=-1.8!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.0904) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.089 X(o=-0.089,f=0.2) USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 9 8.396 3.468 -14.871 1.00 0.00 N ATOM 84 CA ALA A 9 7.491 4.608 -14.938 1.00 0.00 C ATOM 85 C ALA A 9 6.038 4.164 -14.804 1.00 0.00 C ATOM 86 O ALA A 9 5.331 4.588 -13.890 1.00 0.00 O ATOM 87 CB ALA A 9 7.694 5.368 -16.240 1.00 0.00 C ATOM 0 HA ALA A 9 7.720 5.271 -14.104 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.011 6.217 -16.276 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.722 5.726 -16.296 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.495 4.706 -17.083 1.00 0.00 H new ATOM 93 N ALA A 10 5.599 3.308 -15.721 1.00 0.00 N ATOM 94 CA ALA A 10 4.231 2.805 -15.703 1.00 0.00 C ATOM 95 C ALA A 10 4.110 1.572 -14.815 1.00 0.00 C ATOM 96 O ALA A 10 3.251 0.718 -15.035 1.00 0.00 O ATOM 97 CB ALA A 10 3.768 2.487 -17.117 1.00 0.00 C ATOM 0 H ALA A 10 6.171 2.949 -16.485 1.00 0.00 H new ATOM 0 HA ALA A 10 3.590 3.583 -15.288 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.745 2.112 -17.089 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.807 3.391 -17.725 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.420 1.729 -17.552 1.00 0.00 H new ATOM 103 N SER A 11 4.976 1.485 -13.811 1.00 0.00 N ATOM 104 CA SER A 11 4.969 0.353 -12.891 1.00 0.00 C ATOM 105 C SER A 11 4.568 0.796 -11.488 1.00 0.00 C ATOM 106 O SER A 11 4.545 1.989 -11.183 1.00 0.00 O ATOM 107 CB SER A 11 6.347 -0.310 -12.855 1.00 0.00 C ATOM 108 OG SER A 11 6.653 -0.920 -14.097 1.00 0.00 O ATOM 0 H SER A 11 5.692 2.185 -13.613 1.00 0.00 H new ATOM 0 HA SER A 11 4.235 -0.370 -13.248 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.106 0.435 -12.615 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.373 -1.058 -12.063 1.00 0.00 H new ATOM 0 HG SER A 11 7.539 -1.335 -14.048 1.00 0.00 H new ATOM 114 N LEU A 12 4.252 -0.174 -10.636 1.00 0.00 N ATOM 115 CA LEU A 12 3.851 0.114 -9.263 1.00 0.00 C ATOM 116 C LEU A 12 4.590 -0.787 -8.280 1.00 0.00 C ATOM 117 O LEU A 12 5.057 -1.867 -8.643 1.00 0.00 O ATOM 118 CB LEU A 12 2.340 -0.068 -9.103 1.00 0.00 C ATOM 119 CG LEU A 12 1.461 0.805 -10.000 1.00 0.00 C ATOM 120 CD1 LEU A 12 0.095 0.165 -10.192 1.00 0.00 C ATOM 121 CD2 LEU A 12 1.320 2.201 -9.412 1.00 0.00 C ATOM 0 H LEU A 12 4.266 -1.166 -10.872 1.00 0.00 H new ATOM 0 HA LEU A 12 4.111 1.150 -9.044 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.097 -1.113 -9.296 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.078 0.133 -8.064 1.00 0.00 H new ATOM 0 HG LEU A 12 1.940 0.890 -10.975 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.517 0.800 -10.833 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.214 -0.814 -10.657 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.392 0.050 -9.224 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.691 2.808 -10.063 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.863 2.135 -8.425 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.305 2.661 -9.326 1.00 0.00 H new ATOM 133 N TRP A 13 4.689 -0.338 -7.034 1.00 0.00 N ATOM 134 CA TRP A 13 5.370 -1.106 -5.997 1.00 0.00 C ATOM 135 C TRP A 13 4.367 -1.870 -5.139 1.00 0.00 C ATOM 136 O TRP A 13 3.330 -1.332 -4.753 1.00 0.00 O ATOM 137 CB TRP A 13 6.211 -0.180 -5.117 1.00 0.00 C ATOM 138 CG TRP A 13 6.585 -0.789 -3.800 1.00 0.00 C ATOM 139 CD1 TRP A 13 7.771 -1.386 -3.480 1.00 0.00 C ATOM 140 CD2 TRP A 13 5.767 -0.863 -2.627 1.00 0.00 C ATOM 141 NE1 TRP A 13 7.740 -1.827 -2.179 1.00 0.00 N ATOM 142 CE2 TRP A 13 6.522 -1.517 -1.634 1.00 0.00 C ATOM 143 CE3 TRP A 13 4.472 -0.439 -2.319 1.00 0.00 C ATOM 144 CZ2 TRP A 13 6.022 -1.756 -0.356 1.00 0.00 C ATOM 145 CZ3 TRP A 13 3.977 -0.677 -1.050 1.00 0.00 C ATOM 146 CH2 TRP A 13 4.751 -1.330 -0.082 1.00 0.00 C ATOM 0 H TRP A 13 4.307 0.553 -6.717 1.00 0.00 H new ATOM 0 HA TRP A 13 6.026 -1.827 -6.485 1.00 0.00 H new ATOM 0 HB2 TRP A 13 7.120 0.093 -5.654 1.00 0.00 H new ATOM 0 HB3 TRP A 13 5.657 0.742 -4.939 1.00 0.00 H new ATOM 0 HD1 TRP A 13 8.610 -1.495 -4.151 1.00 0.00 H new ATOM 0 HE1 TRP A 13 8.500 -2.307 -1.697 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.868 0.066 -3.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.616 -2.260 0.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.977 -0.354 -0.801 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.336 -1.501 0.900 1.00 0.00 H new ATOM 157 N MET A 14 4.684 -3.127 -4.845 1.00 0.00 N ATOM 158 CA MET A 14 3.810 -3.964 -4.031 1.00 0.00 C ATOM 159 C MET A 14 4.609 -4.713 -2.969 1.00 0.00 C ATOM 160 O MET A 14 5.235 -5.733 -3.255 1.00 0.00 O ATOM 161 CB MET A 14 3.054 -4.959 -4.914 1.00 0.00 C ATOM 162 CG MET A 14 2.233 -5.967 -4.127 1.00 0.00 C ATOM 163 SD MET A 14 1.537 -7.262 -5.171 1.00 0.00 S ATOM 164 CE MET A 14 0.022 -7.630 -4.290 1.00 0.00 C ATOM 0 H MET A 14 5.539 -3.588 -5.158 1.00 0.00 H new ATOM 0 HA MET A 14 3.091 -3.316 -3.529 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.394 -4.409 -5.584 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.769 -5.494 -5.539 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.861 -6.422 -3.361 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.425 -5.448 -3.611 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.522 -8.416 -4.814 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.260 -7.965 -3.281 1.00 0.00 H new ATOM 0 HE3 MET A 14 -0.596 -6.733 -4.238 1.00 0.00 H new ATOM 174 N GLY A 15 4.584 -4.199 -1.743 1.00 0.00 N ATOM 175 CA GLY A 15 5.311 -4.833 -0.658 1.00 0.00 C ATOM 176 C GLY A 15 4.423 -5.714 0.197 1.00 0.00 C ATOM 177 O GLY A 15 3.393 -6.204 -0.265 1.00 0.00 O ATOM 0 H GLY A 15 4.074 -3.355 -1.482 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.123 -5.432 -1.070 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.767 -4.065 -0.032 1.00 0.00 H new ATOM 181 N ASP A 16 4.822 -5.916 1.448 1.00 0.00 N ATOM 182 CA ASP A 16 4.055 -6.745 2.371 1.00 0.00 C ATOM 183 C ASP A 16 3.658 -8.064 1.715 1.00 0.00 C ATOM 184 O ASP A 16 2.511 -8.500 1.817 1.00 0.00 O ATOM 185 CB ASP A 16 2.806 -5.999 2.842 1.00 0.00 C ATOM 186 CG ASP A 16 2.015 -6.785 3.869 1.00 0.00 C ATOM 187 OD1 ASP A 16 2.615 -7.643 4.551 1.00 0.00 O ATOM 188 OD2 ASP A 16 0.797 -6.542 3.993 1.00 0.00 O ATOM 0 H ASP A 16 5.672 -5.517 1.846 1.00 0.00 H new ATOM 0 HA ASP A 16 4.685 -6.964 3.233 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.099 -5.040 3.269 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.169 -5.784 1.984 1.00 0.00 H new ATOM 193 N LEU A 17 4.614 -8.695 1.042 1.00 0.00 N ATOM 194 CA LEU A 17 4.365 -9.965 0.368 1.00 0.00 C ATOM 195 C LEU A 17 4.897 -11.132 1.192 1.00 0.00 C ATOM 196 O LEU A 17 5.890 -10.998 1.906 1.00 0.00 O ATOM 197 CB LEU A 17 5.014 -9.965 -1.017 1.00 0.00 C ATOM 198 CG LEU A 17 4.632 -8.806 -1.938 1.00 0.00 C ATOM 199 CD1 LEU A 17 5.439 -8.859 -3.226 1.00 0.00 C ATOM 200 CD2 LEU A 17 3.141 -8.832 -2.239 1.00 0.00 C ATOM 0 H LEU A 17 5.569 -8.348 0.948 1.00 0.00 H new ATOM 0 HA LEU A 17 3.287 -10.085 0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.096 -9.959 -0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.757 -10.899 -1.516 1.00 0.00 H new ATOM 0 HG LEU A 17 4.862 -7.871 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.153 -8.026 -3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.501 -8.790 -2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.241 -9.799 -3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.888 -8.000 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.885 -9.772 -2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.580 -8.743 -1.308 1.00 0.00 H new ATOM 212 N GLU A 18 4.230 -12.278 1.086 1.00 0.00 N ATOM 213 CA GLU A 18 4.638 -13.469 1.821 1.00 0.00 C ATOM 214 C GLU A 18 5.791 -14.176 1.114 1.00 0.00 C ATOM 215 O GLU A 18 6.033 -13.985 -0.078 1.00 0.00 O ATOM 216 CB GLU A 18 3.456 -14.428 1.977 1.00 0.00 C ATOM 217 CG GLU A 18 2.580 -14.124 3.180 1.00 0.00 C ATOM 218 CD GLU A 18 3.281 -14.396 4.497 1.00 0.00 C ATOM 219 OE1 GLU A 18 4.155 -13.591 4.881 1.00 0.00 O ATOM 220 OE2 GLU A 18 2.955 -15.414 5.143 1.00 0.00 O ATOM 0 H GLU A 18 3.406 -12.406 0.499 1.00 0.00 H new ATOM 0 HA GLU A 18 4.977 -13.157 2.809 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.846 -14.389 1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.834 -15.447 2.062 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.272 -13.079 3.146 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.673 -14.725 3.125 1.00 0.00 H new ATOM 227 N PRO A 19 6.521 -15.013 1.867 1.00 0.00 N ATOM 228 CA PRO A 19 7.661 -15.766 1.334 1.00 0.00 C ATOM 229 C PRO A 19 7.231 -16.858 0.362 1.00 0.00 C ATOM 230 O PRO A 19 8.062 -17.608 -0.153 1.00 0.00 O ATOM 231 CB PRO A 19 8.294 -16.381 2.584 1.00 0.00 C ATOM 232 CG PRO A 19 7.180 -16.470 3.569 1.00 0.00 C ATOM 233 CD PRO A 19 6.290 -15.290 3.294 1.00 0.00 C ATOM 0 HA PRO A 19 8.339 -15.131 0.764 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.714 -17.364 2.372 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.107 -15.761 2.961 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.633 -17.406 3.456 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.559 -16.443 4.591 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.244 -15.521 3.494 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.553 -14.435 3.917 1.00 0.00 H new ATOM 241 N TYR A 20 5.929 -16.944 0.114 1.00 0.00 N ATOM 242 CA TYR A 20 5.388 -17.947 -0.796 1.00 0.00 C ATOM 243 C TYR A 20 4.593 -17.290 -1.921 1.00 0.00 C ATOM 244 O TYR A 20 3.640 -17.869 -2.442 1.00 0.00 O ATOM 245 CB TYR A 20 4.498 -18.930 -0.034 1.00 0.00 C ATOM 246 CG TYR A 20 3.041 -18.528 -0.002 1.00 0.00 C ATOM 247 CD1 TYR A 20 2.668 -17.214 0.251 1.00 0.00 C ATOM 248 CD2 TYR A 20 2.037 -19.463 -0.224 1.00 0.00 C ATOM 249 CE1 TYR A 20 1.338 -16.842 0.282 1.00 0.00 C ATOM 250 CE2 TYR A 20 0.705 -19.100 -0.196 1.00 0.00 C ATOM 251 CZ TYR A 20 0.360 -17.789 0.057 1.00 0.00 C ATOM 252 OH TYR A 20 -0.966 -17.423 0.087 1.00 0.00 O ATOM 0 H TYR A 20 5.228 -16.331 0.531 1.00 0.00 H new ATOM 0 HA TYR A 20 6.224 -18.490 -1.236 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.584 -19.915 -0.492 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.864 -19.021 0.989 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.431 -16.470 0.427 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.303 -20.491 -0.422 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.065 -15.816 0.481 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.063 -19.839 -0.371 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.526 -18.207 -0.092 1.00 0.00 H new ATOM 262 N MET A 21 4.994 -16.078 -2.290 1.00 0.00 N ATOM 263 CA MET A 21 4.320 -15.342 -3.354 1.00 0.00 C ATOM 264 C MET A 21 5.229 -15.193 -4.570 1.00 0.00 C ATOM 265 O MET A 21 6.220 -14.465 -4.531 1.00 0.00 O ATOM 266 CB MET A 21 3.887 -13.963 -2.854 1.00 0.00 C ATOM 267 CG MET A 21 2.966 -14.016 -1.646 1.00 0.00 C ATOM 268 SD MET A 21 1.900 -12.567 -1.522 1.00 0.00 S ATOM 269 CE MET A 21 0.563 -13.215 -0.521 1.00 0.00 C ATOM 0 H MET A 21 5.781 -15.585 -1.869 1.00 0.00 H new ATOM 0 HA MET A 21 3.436 -15.907 -3.650 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.774 -13.383 -2.599 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.382 -13.434 -3.663 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.349 -14.913 -1.704 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.566 -14.100 -0.740 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.374 -12.741 -0.814 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.486 -14.292 -0.670 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.762 -13.007 0.530 1.00 0.00 H new ATOM 279 N ASP A 22 4.884 -15.887 -5.649 1.00 0.00 N ATOM 280 CA ASP A 22 5.668 -15.831 -6.878 1.00 0.00 C ATOM 281 C ASP A 22 4.908 -15.090 -7.974 1.00 0.00 C ATOM 282 O ASP A 22 3.707 -14.850 -7.855 1.00 0.00 O ATOM 283 CB ASP A 22 6.020 -17.243 -7.349 1.00 0.00 C ATOM 284 CG ASP A 22 6.534 -18.117 -6.222 1.00 0.00 C ATOM 285 OD1 ASP A 22 5.702 -18.710 -5.505 1.00 0.00 O ATOM 286 OD2 ASP A 22 7.769 -18.208 -6.058 1.00 0.00 O ATOM 0 H ASP A 22 4.067 -16.495 -5.698 1.00 0.00 H new ATOM 0 HA ASP A 22 6.589 -15.287 -6.668 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.138 -17.706 -7.791 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.775 -17.184 -8.133 1.00 0.00 H new ATOM 291 N GLU A 23 5.617 -14.730 -9.039 1.00 0.00 N ATOM 292 CA GLU A 23 5.009 -14.015 -10.155 1.00 0.00 C ATOM 293 C GLU A 23 3.596 -14.525 -10.422 1.00 0.00 C ATOM 294 O GLU A 23 2.657 -13.741 -10.552 1.00 0.00 O ATOM 295 CB GLU A 23 5.865 -14.168 -11.414 1.00 0.00 C ATOM 296 CG GLU A 23 7.207 -13.460 -11.327 1.00 0.00 C ATOM 297 CD GLU A 23 8.143 -13.845 -12.456 1.00 0.00 C ATOM 298 OE1 GLU A 23 7.671 -13.952 -13.608 1.00 0.00 O ATOM 299 OE2 GLU A 23 9.347 -14.040 -12.189 1.00 0.00 O ATOM 0 H GLU A 23 6.612 -14.922 -9.153 1.00 0.00 H new ATOM 0 HA GLU A 23 4.952 -12.959 -9.890 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.035 -15.228 -11.601 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.312 -13.778 -12.269 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.047 -12.382 -11.344 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.678 -13.697 -10.373 1.00 0.00 H new ATOM 306 N ASN A 24 3.455 -15.844 -10.504 1.00 0.00 N ATOM 307 CA ASN A 24 2.157 -16.459 -10.757 1.00 0.00 C ATOM 308 C ASN A 24 1.139 -16.035 -9.702 1.00 0.00 C ATOM 309 O ASN A 24 -0.023 -15.776 -10.015 1.00 0.00 O ATOM 310 CB ASN A 24 2.286 -17.984 -10.773 1.00 0.00 C ATOM 311 CG ASN A 24 2.651 -18.518 -12.145 1.00 0.00 C ATOM 312 OD1 ASN A 24 1.779 -18.880 -12.935 1.00 0.00 O ATOM 313 ND2 ASN A 24 3.946 -18.570 -12.434 1.00 0.00 N ATOM 0 H ASN A 24 4.223 -16.507 -10.399 1.00 0.00 H new ATOM 0 HA ASN A 24 1.806 -16.120 -11.732 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.045 -18.289 -10.053 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.344 -18.429 -10.451 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.252 -18.921 -13.342 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.634 -18.259 -11.748 1.00 0.00 H new ATOM 320 N PHE A 25 1.584 -15.967 -8.452 1.00 0.00 N ATOM 321 CA PHE A 25 0.712 -15.575 -7.351 1.00 0.00 C ATOM 322 C PHE A 25 0.250 -14.130 -7.511 1.00 0.00 C ATOM 323 O PHE A 25 -0.949 -13.847 -7.511 1.00 0.00 O ATOM 324 CB PHE A 25 1.437 -15.745 -6.014 1.00 0.00 C ATOM 325 CG PHE A 25 0.582 -15.418 -4.823 1.00 0.00 C ATOM 326 CD1 PHE A 25 0.360 -14.101 -4.453 1.00 0.00 C ATOM 327 CD2 PHE A 25 0.001 -16.428 -4.073 1.00 0.00 C ATOM 328 CE1 PHE A 25 -0.427 -13.797 -3.358 1.00 0.00 C ATOM 329 CE2 PHE A 25 -0.787 -16.129 -2.977 1.00 0.00 C ATOM 330 CZ PHE A 25 -1.000 -14.813 -2.619 1.00 0.00 C ATOM 0 H PHE A 25 2.543 -16.178 -8.176 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.165 -16.222 -7.367 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.788 -16.773 -5.928 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.320 -15.105 -6.004 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.807 -13.303 -5.027 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.165 -17.460 -4.347 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.593 -12.767 -3.081 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.236 -16.925 -2.401 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.614 -14.578 -1.762 1.00 0.00 H new ATOM 340 N ILE A 26 1.208 -13.220 -7.647 1.00 0.00 N ATOM 341 CA ILE A 26 0.900 -11.804 -7.809 1.00 0.00 C ATOM 342 C ILE A 26 -0.013 -11.574 -9.009 1.00 0.00 C ATOM 343 O ILE A 26 -1.023 -10.877 -8.909 1.00 0.00 O ATOM 344 CB ILE A 26 2.179 -10.966 -7.984 1.00 0.00 C ATOM 345 CG1 ILE A 26 3.146 -11.224 -6.826 1.00 0.00 C ATOM 346 CG2 ILE A 26 1.835 -9.486 -8.074 1.00 0.00 C ATOM 347 CD1 ILE A 26 2.566 -10.892 -5.469 1.00 0.00 C ATOM 0 H ILE A 26 2.205 -13.438 -7.648 1.00 0.00 H new ATOM 0 HA ILE A 26 0.389 -11.486 -6.900 1.00 0.00 H new ATOM 0 HB ILE A 26 2.666 -11.263 -8.913 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.443 -12.273 -6.838 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.050 -10.635 -6.980 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.750 -8.907 -8.198 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.180 -9.316 -8.928 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.329 -9.174 -7.161 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.306 -11.099 -4.696 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.295 -9.837 -5.438 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.679 -11.500 -5.294 1.00 0.00 H new ATOM 359 N SER A 27 0.348 -12.166 -10.142 1.00 0.00 N ATOM 360 CA SER A 27 -0.437 -12.024 -11.363 1.00 0.00 C ATOM 361 C SER A 27 -1.876 -12.479 -11.139 1.00 0.00 C ATOM 362 O SER A 27 -2.806 -11.962 -11.758 1.00 0.00 O ATOM 363 CB SER A 27 0.194 -12.833 -12.498 1.00 0.00 C ATOM 364 OG SER A 27 0.000 -14.223 -12.303 1.00 0.00 O ATOM 0 H SER A 27 1.179 -12.749 -10.241 1.00 0.00 H new ATOM 0 HA SER A 27 -0.446 -10.970 -11.639 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.243 -12.532 -13.450 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.261 -12.616 -12.554 1.00 0.00 H new ATOM 0 HG SER A 27 0.027 -14.426 -11.345 1.00 0.00 H new ATOM 370 N ARG A 28 -2.051 -13.450 -10.249 1.00 0.00 N ATOM 371 CA ARG A 28 -3.376 -13.976 -9.943 1.00 0.00 C ATOM 372 C ARG A 28 -4.138 -13.029 -9.021 1.00 0.00 C ATOM 373 O ARG A 28 -5.361 -12.922 -9.098 1.00 0.00 O ATOM 374 CB ARG A 28 -3.262 -15.356 -9.292 1.00 0.00 C ATOM 375 CG ARG A 28 -3.248 -16.502 -10.291 1.00 0.00 C ATOM 376 CD ARG A 28 -3.852 -17.765 -9.699 1.00 0.00 C ATOM 377 NE ARG A 28 -3.548 -18.946 -10.503 1.00 0.00 N ATOM 378 CZ ARG A 28 -4.055 -20.150 -10.262 1.00 0.00 C ATOM 379 NH1 ARG A 28 -4.887 -20.331 -9.246 1.00 0.00 N ATOM 380 NH2 ARG A 28 -3.731 -21.175 -11.039 1.00 0.00 N ATOM 0 H ARG A 28 -1.292 -13.888 -9.727 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.928 -14.067 -10.879 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.350 -15.393 -8.697 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.097 -15.494 -8.605 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.805 -16.215 -11.183 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.223 -16.700 -10.605 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.473 -17.908 -8.687 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.933 -17.648 -9.621 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.911 -18.840 -11.293 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.139 -19.545 -8.647 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.275 -21.256 -9.063 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.092 -21.039 -11.822 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.121 -22.099 -10.853 1.00 0.00 H new ATOM 394 N ALA A 29 -3.406 -12.344 -8.149 1.00 0.00 N ATOM 395 CA ALA A 29 -4.012 -11.404 -7.214 1.00 0.00 C ATOM 396 C ALA A 29 -4.624 -10.217 -7.948 1.00 0.00 C ATOM 397 O ALA A 29 -5.801 -9.902 -7.768 1.00 0.00 O ATOM 398 CB ALA A 29 -2.980 -10.927 -6.202 1.00 0.00 C ATOM 0 H ALA A 29 -2.392 -12.422 -8.070 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.812 -11.921 -6.684 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.446 -10.226 -5.510 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.593 -11.781 -5.647 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.161 -10.432 -6.723 1.00 0.00 H new ATOM 404 N PHE A 30 -3.819 -9.559 -8.776 1.00 0.00 N ATOM 405 CA PHE A 30 -4.282 -8.405 -9.537 1.00 0.00 C ATOM 406 C PHE A 30 -5.451 -8.782 -10.442 1.00 0.00 C ATOM 407 O PHE A 30 -6.502 -8.143 -10.415 1.00 0.00 O ATOM 408 CB PHE A 30 -3.139 -7.828 -10.375 1.00 0.00 C ATOM 409 CG PHE A 30 -2.284 -6.845 -9.627 1.00 0.00 C ATOM 410 CD1 PHE A 30 -2.593 -5.495 -9.631 1.00 0.00 C ATOM 411 CD2 PHE A 30 -1.171 -7.272 -8.921 1.00 0.00 C ATOM 412 CE1 PHE A 30 -1.807 -4.588 -8.945 1.00 0.00 C ATOM 413 CE2 PHE A 30 -0.382 -6.371 -8.232 1.00 0.00 C ATOM 414 CZ PHE A 30 -0.701 -5.027 -8.243 1.00 0.00 C ATOM 0 H PHE A 30 -2.842 -9.806 -8.937 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.623 -7.649 -8.830 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.512 -8.645 -10.731 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.556 -7.339 -11.255 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.458 -5.147 -10.176 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.917 -8.322 -8.909 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.057 -3.537 -8.958 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.483 -6.717 -7.686 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.087 -4.321 -7.704 1.00 0.00 H new ATOM 424 N ALA A 31 -5.259 -9.826 -11.241 1.00 0.00 N ATOM 425 CA ALA A 31 -6.297 -10.291 -12.153 1.00 0.00 C ATOM 426 C ALA A 31 -7.607 -10.540 -11.413 1.00 0.00 C ATOM 427 O ALA A 31 -8.669 -10.086 -11.839 1.00 0.00 O ATOM 428 CB ALA A 31 -5.844 -11.555 -12.869 1.00 0.00 C ATOM 0 H ALA A 31 -4.394 -10.366 -11.275 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.471 -9.510 -12.894 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.629 -11.891 -13.547 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.938 -11.346 -13.438 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.640 -12.335 -12.136 1.00 0.00 H new ATOM 434 N THR A 32 -7.524 -11.267 -10.303 1.00 0.00 N ATOM 435 CA THR A 32 -8.703 -11.578 -9.504 1.00 0.00 C ATOM 436 C THR A 32 -9.486 -10.315 -9.163 1.00 0.00 C ATOM 437 O THR A 32 -10.701 -10.258 -9.350 1.00 0.00 O ATOM 438 CB THR A 32 -8.322 -12.301 -8.198 1.00 0.00 C ATOM 439 OG1 THR A 32 -7.686 -13.549 -8.497 1.00 0.00 O ATOM 440 CG2 THR A 32 -9.552 -12.546 -7.337 1.00 0.00 C ATOM 0 H THR A 32 -6.653 -11.651 -9.937 1.00 0.00 H new ATOM 0 HA THR A 32 -9.328 -12.237 -10.107 1.00 0.00 H new ATOM 0 HB THR A 32 -7.631 -11.665 -7.644 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.753 -13.388 -8.749 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.258 -13.058 -6.420 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.017 -11.592 -7.087 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.263 -13.164 -7.886 1.00 0.00 H new ATOM 448 N MET A 33 -8.782 -9.306 -8.663 1.00 0.00 N ATOM 449 CA MET A 33 -9.412 -8.042 -8.297 1.00 0.00 C ATOM 450 C MET A 33 -9.989 -7.347 -9.526 1.00 0.00 C ATOM 451 O MET A 33 -10.917 -6.547 -9.420 1.00 0.00 O ATOM 452 CB MET A 33 -8.401 -7.125 -7.605 1.00 0.00 C ATOM 453 CG MET A 33 -8.240 -7.409 -6.121 1.00 0.00 C ATOM 454 SD MET A 33 -9.787 -7.242 -5.210 1.00 0.00 S ATOM 455 CE MET A 33 -9.691 -5.531 -4.690 1.00 0.00 C ATOM 0 H MET A 33 -7.775 -9.338 -8.502 1.00 0.00 H new ATOM 0 HA MET A 33 -10.228 -8.257 -7.607 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.433 -7.231 -8.094 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.713 -6.089 -7.737 1.00 0.00 H new ATOM 0 HG2 MET A 33 -7.852 -8.419 -5.988 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.501 -6.726 -5.702 1.00 0.00 H new ATOM 0 HE1 MET A 33 -10.580 -5.276 -4.113 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.804 -5.388 -4.073 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.630 -4.887 -5.567 1.00 0.00 H new ATOM 465 N GLY A 34 -9.431 -7.658 -10.693 1.00 0.00 N ATOM 466 CA GLY A 34 -9.903 -7.053 -11.925 1.00 0.00 C ATOM 467 C GLY A 34 -8.889 -6.104 -12.531 1.00 0.00 C ATOM 468 O GLY A 34 -9.254 -5.077 -13.101 1.00 0.00 O ATOM 0 H GLY A 34 -8.661 -8.318 -10.807 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.137 -7.837 -12.645 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.829 -6.513 -11.729 1.00 0.00 H new ATOM 472 N GLU A 35 -7.611 -6.448 -12.407 1.00 0.00 N ATOM 473 CA GLU A 35 -6.541 -5.617 -12.945 1.00 0.00 C ATOM 474 C GLU A 35 -5.644 -6.423 -13.880 1.00 0.00 C ATOM 475 O GLU A 35 -5.102 -7.461 -13.499 1.00 0.00 O ATOM 476 CB GLU A 35 -5.707 -5.021 -11.809 1.00 0.00 C ATOM 477 CG GLU A 35 -6.524 -4.216 -10.812 1.00 0.00 C ATOM 478 CD GLU A 35 -7.054 -5.064 -9.672 1.00 0.00 C ATOM 479 OE1 GLU A 35 -6.332 -5.221 -8.665 1.00 0.00 O ATOM 480 OE2 GLU A 35 -8.189 -5.570 -9.787 1.00 0.00 O ATOM 0 H GLU A 35 -7.292 -7.296 -11.939 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.997 -4.807 -13.515 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.198 -5.828 -11.282 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.934 -4.380 -12.234 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.908 -3.414 -10.407 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.360 -3.745 -11.329 1.00 0.00 H new ATOM 487 N THR A 36 -5.491 -5.938 -15.109 1.00 0.00 N ATOM 488 CA THR A 36 -4.663 -6.612 -16.100 1.00 0.00 C ATOM 489 C THR A 36 -3.193 -6.243 -15.931 1.00 0.00 C ATOM 490 O THR A 36 -2.739 -5.217 -16.439 1.00 0.00 O ATOM 491 CB THR A 36 -5.106 -6.266 -17.533 1.00 0.00 C ATOM 492 OG1 THR A 36 -6.485 -6.607 -17.716 1.00 0.00 O ATOM 493 CG2 THR A 36 -4.256 -7.003 -18.556 1.00 0.00 C ATOM 0 H THR A 36 -5.931 -5.080 -15.441 1.00 0.00 H new ATOM 0 HA THR A 36 -4.787 -7.683 -15.939 1.00 0.00 H new ATOM 0 HB THR A 36 -4.975 -5.194 -17.681 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.759 -6.382 -18.630 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.588 -6.742 -19.561 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.211 -6.718 -18.434 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.359 -8.078 -18.408 1.00 0.00 H new ATOM 501 N VAL A 37 -2.454 -7.084 -15.215 1.00 0.00 N ATOM 502 CA VAL A 37 -1.035 -6.846 -14.981 1.00 0.00 C ATOM 503 C VAL A 37 -0.214 -7.148 -16.230 1.00 0.00 C ATOM 504 O VAL A 37 -0.499 -8.098 -16.958 1.00 0.00 O ATOM 505 CB VAL A 37 -0.507 -7.702 -13.815 1.00 0.00 C ATOM 506 CG1 VAL A 37 -0.197 -9.115 -14.286 1.00 0.00 C ATOM 507 CG2 VAL A 37 0.723 -7.056 -13.194 1.00 0.00 C ATOM 0 H VAL A 37 -2.815 -7.937 -14.787 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.929 -5.792 -14.725 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.283 -7.762 -13.051 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.175 -9.705 -13.448 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.104 -9.575 -14.679 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.560 -9.080 -15.069 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.083 -7.674 -12.372 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.505 -6.964 -13.948 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.463 -6.067 -12.817 1.00 0.00 H new ATOM 517 N MET A 38 0.807 -6.332 -16.472 1.00 0.00 N ATOM 518 CA MET A 38 1.671 -6.512 -17.633 1.00 0.00 C ATOM 519 C MET A 38 2.853 -7.416 -17.295 1.00 0.00 C ATOM 520 O MET A 38 3.182 -8.330 -18.050 1.00 0.00 O ATOM 521 CB MET A 38 2.176 -5.158 -18.135 1.00 0.00 C ATOM 522 CG MET A 38 1.108 -4.334 -18.835 1.00 0.00 C ATOM 523 SD MET A 38 0.470 -5.138 -20.317 1.00 0.00 S ATOM 524 CE MET A 38 -1.295 -5.036 -20.024 1.00 0.00 C ATOM 0 H MET A 38 1.056 -5.540 -15.880 1.00 0.00 H new ATOM 0 HA MET A 38 1.086 -6.987 -18.420 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.567 -4.590 -17.291 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.006 -5.321 -18.822 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.286 -4.150 -18.144 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.522 -3.362 -19.103 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.813 -5.738 -20.677 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.506 -5.285 -18.984 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.640 -4.023 -20.232 1.00 0.00 H new ATOM 534 N SER A 39 3.487 -7.153 -16.157 1.00 0.00 N ATOM 535 CA SER A 39 4.635 -7.940 -15.722 1.00 0.00 C ATOM 536 C SER A 39 4.848 -7.804 -14.218 1.00 0.00 C ATOM 537 O SER A 39 4.462 -6.804 -13.612 1.00 0.00 O ATOM 538 CB SER A 39 5.895 -7.498 -16.469 1.00 0.00 C ATOM 539 OG SER A 39 5.734 -7.643 -17.870 1.00 0.00 O ATOM 0 H SER A 39 3.225 -6.401 -15.519 1.00 0.00 H new ATOM 0 HA SER A 39 4.434 -8.987 -15.950 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.117 -6.458 -16.231 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.747 -8.090 -16.134 1.00 0.00 H new ATOM 0 HG SER A 39 4.973 -8.233 -18.053 1.00 0.00 H new ATOM 545 N VAL A 40 5.466 -8.818 -13.620 1.00 0.00 N ATOM 546 CA VAL A 40 5.733 -8.813 -12.187 1.00 0.00 C ATOM 547 C VAL A 40 7.135 -9.329 -11.887 1.00 0.00 C ATOM 548 O VAL A 40 7.506 -10.428 -12.299 1.00 0.00 O ATOM 549 CB VAL A 40 4.707 -9.670 -11.422 1.00 0.00 C ATOM 550 CG1 VAL A 40 4.452 -10.978 -12.156 1.00 0.00 C ATOM 551 CG2 VAL A 40 5.185 -9.932 -10.002 1.00 0.00 C ATOM 0 H VAL A 40 5.791 -9.654 -14.106 1.00 0.00 H new ATOM 0 HA VAL A 40 5.651 -7.778 -11.854 1.00 0.00 H new ATOM 0 HB VAL A 40 3.767 -9.120 -11.369 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.725 -11.571 -11.601 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.064 -10.766 -13.152 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.385 -11.535 -12.241 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.448 -10.539 -9.476 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.137 -10.462 -10.031 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.313 -8.984 -9.480 1.00 0.00 H new ATOM 561 N LYS A 41 7.913 -8.528 -11.165 1.00 0.00 N ATOM 562 CA LYS A 41 9.275 -8.904 -10.807 1.00 0.00 C ATOM 563 C LYS A 41 9.412 -9.082 -9.298 1.00 0.00 C ATOM 564 O LYS A 41 9.111 -8.170 -8.526 1.00 0.00 O ATOM 565 CB LYS A 41 10.264 -7.844 -11.297 1.00 0.00 C ATOM 566 CG LYS A 41 11.661 -8.384 -11.547 1.00 0.00 C ATOM 567 CD LYS A 41 12.451 -8.507 -10.255 1.00 0.00 C ATOM 568 CE LYS A 41 13.677 -9.390 -10.433 1.00 0.00 C ATOM 569 NZ LYS A 41 14.415 -9.578 -9.154 1.00 0.00 N ATOM 0 H LYS A 41 7.623 -7.614 -10.817 1.00 0.00 H new ATOM 0 HA LYS A 41 9.501 -9.855 -11.290 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.884 -7.403 -12.219 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.320 -7.043 -10.560 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.594 -9.360 -12.028 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.189 -7.725 -12.236 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.760 -7.517 -9.921 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.813 -8.922 -9.475 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.372 -10.361 -10.822 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.341 -8.944 -11.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.234 -10.199 -9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.743 -8.655 -8.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.784 -10.011 -8.450 1.00 0.00 H new ATOM 583 N ILE A 42 9.868 -10.259 -8.884 1.00 0.00 N ATOM 584 CA ILE A 42 10.046 -10.555 -7.468 1.00 0.00 C ATOM 585 C ILE A 42 11.484 -10.298 -7.030 1.00 0.00 C ATOM 586 O ILE A 42 12.426 -10.837 -7.611 1.00 0.00 O ATOM 587 CB ILE A 42 9.676 -12.015 -7.147 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.328 -12.372 -7.775 1.00 0.00 C ATOM 589 CG2 ILE A 42 9.640 -12.232 -5.641 1.00 0.00 C ATOM 590 CD1 ILE A 42 7.140 -11.904 -6.963 1.00 0.00 C ATOM 0 H ILE A 42 10.121 -11.024 -9.510 1.00 0.00 H new ATOM 0 HA ILE A 42 9.377 -9.891 -6.920 1.00 0.00 H new ATOM 0 HB ILE A 42 10.437 -12.670 -7.571 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.273 -11.933 -8.771 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.269 -13.453 -7.900 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.377 -13.268 -5.429 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.620 -12.012 -5.218 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.897 -11.571 -5.196 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.218 -12.192 -7.468 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.171 -12.363 -5.975 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.174 -10.819 -6.860 1.00 0.00 H new ATOM 602 N ILE A 43 11.645 -9.472 -6.002 1.00 0.00 N ATOM 603 CA ILE A 43 12.967 -9.146 -5.484 1.00 0.00 C ATOM 604 C ILE A 43 13.401 -10.145 -4.416 1.00 0.00 C ATOM 605 O ILE A 43 12.906 -10.120 -3.290 1.00 0.00 O ATOM 606 CB ILE A 43 13.005 -7.727 -4.887 1.00 0.00 C ATOM 607 CG1 ILE A 43 12.535 -6.703 -5.922 1.00 0.00 C ATOM 608 CG2 ILE A 43 14.408 -7.393 -4.403 1.00 0.00 C ATOM 609 CD1 ILE A 43 13.206 -6.854 -7.270 1.00 0.00 C ATOM 0 H ILE A 43 10.876 -9.016 -5.511 1.00 0.00 H new ATOM 0 HA ILE A 43 13.656 -9.195 -6.327 1.00 0.00 H new ATOM 0 HB ILE A 43 12.329 -7.690 -4.033 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.457 -6.796 -6.050 1.00 0.00 H new ATOM 0 HG13 ILE A 43 12.725 -5.700 -5.541 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.418 -6.387 -3.984 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.709 -8.108 -3.637 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.104 -7.444 -5.241 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.824 -6.095 -7.953 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.283 -6.731 -7.156 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.995 -7.845 -7.673 1.00 0.00 H new ATOM 621 N ARG A 44 14.331 -11.023 -4.779 1.00 0.00 N ATOM 622 CA ARG A 44 14.833 -12.031 -3.852 1.00 0.00 C ATOM 623 C ARG A 44 16.353 -11.961 -3.744 1.00 0.00 C ATOM 624 O ARG A 44 17.032 -11.527 -4.673 1.00 0.00 O ATOM 625 CB ARG A 44 14.407 -13.429 -4.306 1.00 0.00 C ATOM 626 CG ARG A 44 12.990 -13.486 -4.852 1.00 0.00 C ATOM 627 CD ARG A 44 12.669 -14.858 -5.426 1.00 0.00 C ATOM 628 NE ARG A 44 13.059 -14.968 -6.829 1.00 0.00 N ATOM 629 CZ ARG A 44 12.880 -16.064 -7.558 1.00 0.00 C ATOM 630 NH1 ARG A 44 12.319 -17.138 -7.018 1.00 0.00 N ATOM 631 NH2 ARG A 44 13.261 -16.088 -8.829 1.00 0.00 N ATOM 0 H ARG A 44 14.752 -11.057 -5.708 1.00 0.00 H new ATOM 0 HA ARG A 44 14.406 -11.830 -2.869 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.097 -13.779 -5.073 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.491 -14.117 -3.464 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.283 -13.248 -4.057 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.866 -12.728 -5.626 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.184 -15.624 -4.845 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.600 -15.050 -5.330 1.00 0.00 H new ATOM 0 HE ARG A 44 13.493 -14.159 -7.274 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.024 -17.123 -6.042 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.182 -17.979 -7.579 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.692 -15.264 -9.248 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.123 -16.931 -9.387 1.00 0.00 H new ATOM 645 N ASN A 45 16.880 -12.391 -2.602 1.00 0.00 N ATOM 646 CA ASN A 45 18.320 -12.377 -2.371 1.00 0.00 C ATOM 647 C ASN A 45 19.028 -13.370 -3.288 1.00 0.00 C ATOM 648 O ASN A 45 18.388 -14.200 -3.933 1.00 0.00 O ATOM 649 CB ASN A 45 18.627 -12.706 -0.909 1.00 0.00 C ATOM 650 CG ASN A 45 19.899 -12.041 -0.421 1.00 0.00 C ATOM 651 OD1 ASN A 45 20.970 -12.648 -0.422 1.00 0.00 O ATOM 652 ND2 ASN A 45 19.787 -10.787 0.000 1.00 0.00 N ATOM 0 H ASN A 45 16.331 -12.753 -1.822 1.00 0.00 H new ATOM 0 HA ASN A 45 18.689 -11.376 -2.596 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.792 -12.388 -0.285 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.718 -13.786 -0.794 1.00 0.00 H new ATOM 0 HD21 ASN A 45 20.609 -10.288 0.340 1.00 0.00 H new ATOM 0 HD22 ASN A 45 18.879 -10.323 -0.017 1.00 0.00 H new ATOM 659 N ARG A 46 20.353 -13.279 -3.339 1.00 0.00 N ATOM 660 CA ARG A 46 21.148 -14.169 -4.176 1.00 0.00 C ATOM 661 C ARG A 46 21.667 -15.355 -3.369 1.00 0.00 C ATOM 662 O ARG A 46 21.944 -16.421 -3.920 1.00 0.00 O ATOM 663 CB ARG A 46 22.321 -13.407 -4.796 1.00 0.00 C ATOM 664 CG ARG A 46 23.042 -12.496 -3.816 1.00 0.00 C ATOM 665 CD ARG A 46 24.452 -12.176 -4.287 1.00 0.00 C ATOM 666 NE ARG A 46 25.303 -13.362 -4.311 1.00 0.00 N ATOM 667 CZ ARG A 46 26.623 -13.317 -4.453 1.00 0.00 C ATOM 668 NH1 ARG A 46 27.240 -12.150 -4.580 1.00 0.00 N ATOM 669 NH2 ARG A 46 27.329 -14.440 -4.466 1.00 0.00 N ATOM 0 H ARG A 46 20.898 -12.598 -2.811 1.00 0.00 H new ATOM 0 HA ARG A 46 20.507 -14.547 -4.973 1.00 0.00 H new ATOM 0 HB2 ARG A 46 23.034 -14.124 -5.204 1.00 0.00 H new ATOM 0 HB3 ARG A 46 21.955 -12.810 -5.631 1.00 0.00 H new ATOM 0 HG2 ARG A 46 22.479 -11.571 -3.696 1.00 0.00 H new ATOM 0 HG3 ARG A 46 23.084 -12.973 -2.837 1.00 0.00 H new ATOM 0 HD2 ARG A 46 24.411 -11.739 -5.285 1.00 0.00 H new ATOM 0 HD3 ARG A 46 24.893 -11.427 -3.629 1.00 0.00 H new ATOM 0 HE ARG A 46 24.860 -14.275 -4.213 1.00 0.00 H new ATOM 0 HH11 ARG A 46 26.701 -11.284 -4.569 1.00 0.00 H new ATOM 0 HH12 ARG A 46 28.254 -12.118 -4.689 1.00 0.00 H new ATOM 0 HH21 ARG A 46 26.858 -15.339 -4.367 1.00 0.00 H new ATOM 0 HH22 ARG A 46 28.343 -14.404 -4.575 1.00 0.00 H new ATOM 683 N LEU A 47 21.798 -15.162 -2.061 1.00 0.00 N ATOM 684 CA LEU A 47 22.285 -16.216 -1.177 1.00 0.00 C ATOM 685 C LEU A 47 21.124 -16.946 -0.510 1.00 0.00 C ATOM 686 O LEU A 47 21.064 -18.176 -0.514 1.00 0.00 O ATOM 687 CB LEU A 47 23.212 -15.627 -0.113 1.00 0.00 C ATOM 688 CG LEU A 47 24.697 -15.567 -0.475 1.00 0.00 C ATOM 689 CD1 LEU A 47 25.313 -16.956 -0.433 1.00 0.00 C ATOM 690 CD2 LEU A 47 24.885 -14.939 -1.848 1.00 0.00 C ATOM 0 H LEU A 47 21.574 -14.286 -1.589 1.00 0.00 H new ATOM 0 HA LEU A 47 22.843 -16.933 -1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 47 22.873 -14.617 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.104 -16.214 0.799 1.00 0.00 H new ATOM 0 HG LEU A 47 25.206 -14.944 0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.370 -16.893 -0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 47 25.210 -17.369 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 47 24.801 -17.603 -1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 47 25.947 -14.904 -2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 47 24.362 -15.535 -2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 47 24.480 -13.927 -1.844 1.00 0.00 H new ATOM 702 N THR A 48 20.200 -16.180 0.062 1.00 0.00 N ATOM 703 CA THR A 48 19.040 -16.753 0.733 1.00 0.00 C ATOM 704 C THR A 48 17.917 -17.037 -0.258 1.00 0.00 C ATOM 705 O THR A 48 17.008 -17.816 0.026 1.00 0.00 O ATOM 706 CB THR A 48 18.511 -15.818 1.837 1.00 0.00 C ATOM 707 OG1 THR A 48 18.112 -14.566 1.269 1.00 0.00 O ATOM 708 CG2 THR A 48 19.572 -15.583 2.902 1.00 0.00 C ATOM 0 H THR A 48 20.233 -15.161 0.074 1.00 0.00 H new ATOM 0 HA THR A 48 19.367 -17.689 1.186 1.00 0.00 H new ATOM 0 HB THR A 48 17.650 -16.295 2.304 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.775 -13.978 1.977 1.00 0.00 H new ATOM 0 HG21 THR A 48 19.175 -14.920 3.671 1.00 0.00 H new ATOM 0 HG22 THR A 48 19.852 -16.535 3.353 1.00 0.00 H new ATOM 0 HG23 THR A 48 20.450 -15.126 2.446 1.00 0.00 H new ATOM 716 N GLY A 49 17.987 -16.400 -1.423 1.00 0.00 N ATOM 717 CA GLY A 49 16.969 -16.599 -2.439 1.00 0.00 C ATOM 718 C GLY A 49 15.577 -16.274 -1.936 1.00 0.00 C ATOM 719 O GLY A 49 14.582 -16.643 -2.561 1.00 0.00 O ATOM 0 H GLY A 49 18.730 -15.750 -1.681 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.195 -15.974 -3.303 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.997 -17.634 -2.779 1.00 0.00 H new ATOM 723 N ILE A 50 15.505 -15.582 -0.803 1.00 0.00 N ATOM 724 CA ILE A 50 14.224 -15.209 -0.217 1.00 0.00 C ATOM 725 C ILE A 50 13.760 -13.850 -0.730 1.00 0.00 C ATOM 726 O ILE A 50 14.542 -12.908 -0.862 1.00 0.00 O ATOM 727 CB ILE A 50 14.299 -15.166 1.320 1.00 0.00 C ATOM 728 CG1 ILE A 50 14.681 -16.541 1.872 1.00 0.00 C ATOM 729 CG2 ILE A 50 12.971 -14.705 1.903 1.00 0.00 C ATOM 730 CD1 ILE A 50 14.796 -16.576 3.380 1.00 0.00 C ATOM 0 H ILE A 50 16.319 -15.269 -0.273 1.00 0.00 H new ATOM 0 HA ILE A 50 13.506 -15.973 -0.516 1.00 0.00 H new ATOM 0 HB ILE A 50 15.069 -14.451 1.612 1.00 0.00 H new ATOM 0 HG12 ILE A 50 13.936 -17.271 1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.632 -16.847 1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.040 -14.680 2.991 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.737 -13.707 1.531 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.183 -15.397 1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.069 -17.581 3.701 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.562 -15.871 3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 50 13.839 -16.301 3.824 1.00 0.00 H new ATOM 742 N PRO A 51 12.456 -13.742 -1.025 1.00 0.00 N ATOM 743 CA PRO A 51 11.857 -12.501 -1.526 1.00 0.00 C ATOM 744 C PRO A 51 11.806 -11.411 -0.461 1.00 0.00 C ATOM 745 O PRO A 51 11.106 -11.543 0.542 1.00 0.00 O ATOM 746 CB PRO A 51 10.442 -12.926 -1.925 1.00 0.00 C ATOM 747 CG PRO A 51 10.151 -14.117 -1.078 1.00 0.00 C ATOM 748 CD PRO A 51 11.465 -14.823 -0.892 1.00 0.00 C ATOM 0 HA PRO A 51 12.434 -12.071 -2.345 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.723 -12.127 -1.745 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.387 -13.171 -2.986 1.00 0.00 H new ATOM 0 HG2 PRO A 51 9.728 -13.820 -0.118 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.422 -14.769 -1.559 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.527 -15.307 0.083 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.614 -15.599 -1.643 1.00 0.00 H new ATOM 756 N ALA A 52 12.553 -10.335 -0.686 1.00 0.00 N ATOM 757 CA ALA A 52 12.590 -9.221 0.253 1.00 0.00 C ATOM 758 C ALA A 52 11.216 -8.971 0.864 1.00 0.00 C ATOM 759 O ALA A 52 11.104 -8.477 1.985 1.00 0.00 O ATOM 760 CB ALA A 52 13.099 -7.964 -0.438 1.00 0.00 C ATOM 0 H ALA A 52 13.141 -10.211 -1.511 1.00 0.00 H new ATOM 0 HA ALA A 52 13.275 -9.482 1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.121 -7.140 0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.105 -8.141 -0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.436 -7.710 -1.265 1.00 0.00 H new ATOM 766 N GLY A 53 10.170 -9.315 0.117 1.00 0.00 N ATOM 767 CA GLY A 53 8.816 -9.119 0.602 1.00 0.00 C ATOM 768 C GLY A 53 8.038 -8.125 -0.236 1.00 0.00 C ATOM 769 O GLY A 53 6.979 -7.651 0.174 1.00 0.00 O ATOM 0 H GLY A 53 10.237 -9.725 -0.814 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.293 -10.075 0.605 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.850 -8.771 1.634 1.00 0.00 H new ATOM 773 N TYR A 54 8.565 -7.806 -1.413 1.00 0.00 N ATOM 774 CA TYR A 54 7.915 -6.857 -2.310 1.00 0.00 C ATOM 775 C TYR A 54 8.231 -7.181 -3.767 1.00 0.00 C ATOM 776 O TYR A 54 9.250 -7.802 -4.070 1.00 0.00 O ATOM 777 CB TYR A 54 8.359 -5.430 -1.985 1.00 0.00 C ATOM 778 CG TYR A 54 9.787 -5.135 -2.383 1.00 0.00 C ATOM 779 CD1 TYR A 54 10.839 -5.393 -1.512 1.00 0.00 C ATOM 780 CD2 TYR A 54 10.086 -4.597 -3.628 1.00 0.00 C ATOM 781 CE1 TYR A 54 12.146 -5.124 -1.870 1.00 0.00 C ATOM 782 CE2 TYR A 54 11.389 -4.326 -3.996 1.00 0.00 C ATOM 783 CZ TYR A 54 12.416 -4.591 -3.114 1.00 0.00 C ATOM 784 OH TYR A 54 13.716 -4.322 -3.476 1.00 0.00 O ATOM 0 H TYR A 54 9.440 -8.190 -1.768 1.00 0.00 H new ATOM 0 HA TYR A 54 6.838 -6.937 -2.164 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.697 -4.728 -2.492 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.246 -5.258 -0.915 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.631 -5.811 -0.538 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.285 -4.387 -4.321 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.951 -5.330 -1.181 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.603 -3.909 -4.969 1.00 0.00 H new ATOM 0 HH TYR A 54 13.733 -3.951 -4.383 1.00 0.00 H new ATOM 794 N CYS A 55 7.350 -6.755 -4.665 1.00 0.00 N ATOM 795 CA CYS A 55 7.533 -6.998 -6.091 1.00 0.00 C ATOM 796 C CYS A 55 7.016 -5.823 -6.914 1.00 0.00 C ATOM 797 O CYS A 55 6.113 -5.102 -6.488 1.00 0.00 O ATOM 798 CB CYS A 55 6.814 -8.282 -6.507 1.00 0.00 C ATOM 799 SG CYS A 55 5.052 -8.063 -6.853 1.00 0.00 S ATOM 0 H CYS A 55 6.502 -6.239 -4.431 1.00 0.00 H new ATOM 0 HA CYS A 55 8.601 -7.109 -6.281 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.300 -8.687 -7.395 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.929 -9.023 -5.715 1.00 0.00 H new ATOM 0 HG CYS A 55 4.352 -8.641 -5.923 1.00 0.00 H new ATOM 805 N PHE A 56 7.597 -5.633 -8.095 1.00 0.00 N ATOM 806 CA PHE A 56 7.197 -4.543 -8.977 1.00 0.00 C ATOM 807 C PHE A 56 6.241 -5.040 -10.057 1.00 0.00 C ATOM 808 O PHE A 56 6.408 -6.135 -10.594 1.00 0.00 O ATOM 809 CB PHE A 56 8.428 -3.905 -9.624 1.00 0.00 C ATOM 810 CG PHE A 56 9.314 -3.186 -8.646 1.00 0.00 C ATOM 811 CD1 PHE A 56 8.940 -1.959 -8.124 1.00 0.00 C ATOM 812 CD2 PHE A 56 10.522 -3.738 -8.251 1.00 0.00 C ATOM 813 CE1 PHE A 56 9.752 -1.296 -7.224 1.00 0.00 C ATOM 814 CE2 PHE A 56 11.339 -3.079 -7.351 1.00 0.00 C ATOM 815 CZ PHE A 56 10.954 -1.856 -6.838 1.00 0.00 C ATOM 0 H PHE A 56 8.346 -6.220 -8.463 1.00 0.00 H new ATOM 0 HA PHE A 56 6.681 -3.794 -8.377 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.008 -4.680 -10.126 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.103 -3.203 -10.392 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.002 -1.515 -8.424 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.829 -4.693 -8.650 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.447 -0.341 -6.823 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.277 -3.520 -7.049 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.592 -1.339 -6.136 1.00 0.00 H new ATOM 825 N VAL A 57 5.238 -4.226 -10.371 1.00 0.00 N ATOM 826 CA VAL A 57 4.254 -4.582 -11.387 1.00 0.00 C ATOM 827 C VAL A 57 4.212 -3.540 -12.499 1.00 0.00 C ATOM 828 O VAL A 57 4.103 -2.343 -12.237 1.00 0.00 O ATOM 829 CB VAL A 57 2.846 -4.725 -10.779 1.00 0.00 C ATOM 830 CG1 VAL A 57 2.585 -6.167 -10.371 1.00 0.00 C ATOM 831 CG2 VAL A 57 2.680 -3.788 -9.593 1.00 0.00 C ATOM 0 H VAL A 57 5.085 -3.316 -9.937 1.00 0.00 H new ATOM 0 HA VAL A 57 4.561 -5.542 -11.803 1.00 0.00 H new ATOM 0 HB VAL A 57 2.112 -4.448 -11.536 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.586 -6.249 -9.944 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.659 -6.812 -11.247 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.323 -6.475 -9.630 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.679 -3.903 -9.176 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.421 -4.031 -8.831 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.821 -2.758 -9.921 1.00 0.00 H new ATOM 841 N GLU A 58 4.299 -4.005 -13.741 1.00 0.00 N ATOM 842 CA GLU A 58 4.271 -3.112 -14.894 1.00 0.00 C ATOM 843 C GLU A 58 2.855 -2.982 -15.447 1.00 0.00 C ATOM 844 O GLU A 58 2.023 -3.872 -15.270 1.00 0.00 O ATOM 845 CB GLU A 58 5.212 -3.624 -15.987 1.00 0.00 C ATOM 846 CG GLU A 58 5.678 -2.542 -16.945 1.00 0.00 C ATOM 847 CD GLU A 58 7.044 -2.833 -17.535 1.00 0.00 C ATOM 848 OE1 GLU A 58 7.197 -3.887 -18.187 1.00 0.00 O ATOM 849 OE2 GLU A 58 7.961 -2.006 -17.345 1.00 0.00 O ATOM 0 H GLU A 58 4.389 -4.994 -13.975 1.00 0.00 H new ATOM 0 HA GLU A 58 4.607 -2.128 -14.567 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.083 -4.083 -15.519 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.706 -4.406 -16.554 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.952 -2.440 -17.752 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.709 -1.587 -16.421 1.00 0.00 H new ATOM 856 N PHE A 59 2.589 -1.865 -16.117 1.00 0.00 N ATOM 857 CA PHE A 59 1.273 -1.616 -16.695 1.00 0.00 C ATOM 858 C PHE A 59 1.394 -0.870 -18.021 1.00 0.00 C ATOM 859 O PHE A 59 2.495 -0.543 -18.463 1.00 0.00 O ATOM 860 CB PHE A 59 0.409 -0.813 -15.722 1.00 0.00 C ATOM 861 CG PHE A 59 -0.096 -1.621 -14.560 1.00 0.00 C ATOM 862 CD1 PHE A 59 -1.264 -2.359 -14.669 1.00 0.00 C ATOM 863 CD2 PHE A 59 0.597 -1.643 -13.361 1.00 0.00 C ATOM 864 CE1 PHE A 59 -1.730 -3.103 -13.601 1.00 0.00 C ATOM 865 CE2 PHE A 59 0.136 -2.385 -12.290 1.00 0.00 C ATOM 866 CZ PHE A 59 -1.029 -3.117 -12.411 1.00 0.00 C ATOM 0 H PHE A 59 3.267 -1.119 -16.273 1.00 0.00 H new ATOM 0 HA PHE A 59 0.798 -2.579 -16.882 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.989 0.029 -15.344 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.442 -0.397 -16.262 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.816 -2.353 -15.597 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.509 -1.073 -13.262 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.642 -3.673 -13.697 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.686 -2.392 -11.360 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.391 -3.699 -11.577 1.00 0.00 H new ATOM 876 N ALA A 60 0.254 -0.606 -18.650 1.00 0.00 N ATOM 877 CA ALA A 60 0.230 0.102 -19.924 1.00 0.00 C ATOM 878 C ALA A 60 0.911 1.462 -19.809 1.00 0.00 C ATOM 879 O ALA A 60 1.834 1.770 -20.562 1.00 0.00 O ATOM 880 CB ALA A 60 -1.202 0.266 -20.411 1.00 0.00 C ATOM 0 H ALA A 60 -0.666 -0.872 -18.298 1.00 0.00 H new ATOM 0 HA ALA A 60 0.783 -0.492 -20.652 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.204 0.796 -21.363 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.657 -0.716 -20.542 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.773 0.835 -19.677 1.00 0.00 H new ATOM 886 N ASP A 61 0.449 2.271 -18.862 1.00 0.00 N ATOM 887 CA ASP A 61 1.014 3.598 -18.648 1.00 0.00 C ATOM 888 C ASP A 61 0.756 4.075 -17.222 1.00 0.00 C ATOM 889 O ASP A 61 0.018 3.440 -16.467 1.00 0.00 O ATOM 890 CB ASP A 61 0.422 4.595 -19.646 1.00 0.00 C ATOM 891 CG ASP A 61 0.276 4.005 -21.035 1.00 0.00 C ATOM 892 OD1 ASP A 61 1.264 4.032 -21.798 1.00 0.00 O ATOM 893 OD2 ASP A 61 -0.826 3.515 -21.359 1.00 0.00 O ATOM 0 H ASP A 61 -0.315 2.031 -18.230 1.00 0.00 H new ATOM 0 HA ASP A 61 2.091 3.536 -18.803 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.554 4.925 -19.290 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.059 5.478 -19.694 1.00 0.00 H new ATOM 898 N LEU A 62 1.371 5.195 -16.858 1.00 0.00 N ATOM 899 CA LEU A 62 1.209 5.757 -15.521 1.00 0.00 C ATOM 900 C LEU A 62 -0.265 5.979 -15.198 1.00 0.00 C ATOM 901 O LEU A 62 -0.752 5.555 -14.151 1.00 0.00 O ATOM 902 CB LEU A 62 1.973 7.077 -15.406 1.00 0.00 C ATOM 903 CG LEU A 62 1.978 7.731 -14.024 1.00 0.00 C ATOM 904 CD1 LEU A 62 2.750 6.875 -13.031 1.00 0.00 C ATOM 905 CD2 LEU A 62 2.572 9.130 -14.098 1.00 0.00 C ATOM 0 H LEU A 62 1.986 5.732 -17.469 1.00 0.00 H new ATOM 0 HA LEU A 62 1.615 5.045 -14.803 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.006 6.903 -15.707 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.547 7.783 -16.119 1.00 0.00 H new ATOM 0 HG LEU A 62 0.947 7.813 -13.679 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.743 7.356 -12.053 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.282 5.893 -12.956 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.779 6.761 -13.372 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.567 9.580 -13.105 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.597 9.071 -14.465 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.978 9.742 -14.777 1.00 0.00 H new ATOM 917 N ALA A 63 -0.970 6.646 -16.106 1.00 0.00 N ATOM 918 CA ALA A 63 -2.389 6.920 -15.920 1.00 0.00 C ATOM 919 C ALA A 63 -3.116 5.701 -15.364 1.00 0.00 C ATOM 920 O ALA A 63 -3.734 5.764 -14.301 1.00 0.00 O ATOM 921 CB ALA A 63 -3.019 7.359 -17.234 1.00 0.00 C ATOM 0 H ALA A 63 -0.581 7.006 -16.977 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.485 7.729 -15.196 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.079 7.560 -17.080 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.526 8.264 -17.590 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.904 6.568 -17.975 1.00 0.00 H new ATOM 927 N THR A 64 -3.040 4.590 -16.091 1.00 0.00 N ATOM 928 CA THR A 64 -3.692 3.356 -15.671 1.00 0.00 C ATOM 929 C THR A 64 -3.155 2.880 -14.326 1.00 0.00 C ATOM 930 O THR A 64 -3.912 2.413 -13.475 1.00 0.00 O ATOM 931 CB THR A 64 -3.500 2.237 -16.712 1.00 0.00 C ATOM 932 OG1 THR A 64 -4.033 2.647 -17.976 1.00 0.00 O ATOM 933 CG2 THR A 64 -4.183 0.954 -16.260 1.00 0.00 C ATOM 0 H THR A 64 -2.533 4.520 -16.973 1.00 0.00 H new ATOM 0 HA THR A 64 -4.755 3.577 -15.577 1.00 0.00 H new ATOM 0 HB THR A 64 -2.432 2.045 -16.814 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.905 1.931 -18.633 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.034 0.178 -17.011 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.755 0.628 -15.312 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.250 1.135 -16.133 1.00 0.00 H new ATOM 941 N ALA A 65 -1.845 3.002 -14.140 1.00 0.00 N ATOM 942 CA ALA A 65 -1.207 2.586 -12.897 1.00 0.00 C ATOM 943 C ALA A 65 -1.855 3.265 -11.695 1.00 0.00 C ATOM 944 O ALA A 65 -2.063 2.640 -10.656 1.00 0.00 O ATOM 945 CB ALA A 65 0.282 2.893 -12.940 1.00 0.00 C ATOM 0 H ALA A 65 -1.204 3.386 -14.835 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.341 1.510 -12.790 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.746 2.577 -12.005 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.740 2.357 -13.772 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.429 3.965 -13.074 1.00 0.00 H new ATOM 951 N GLU A 66 -2.170 4.548 -11.844 1.00 0.00 N ATOM 952 CA GLU A 66 -2.792 5.311 -10.769 1.00 0.00 C ATOM 953 C GLU A 66 -4.159 4.734 -10.412 1.00 0.00 C ATOM 954 O GLU A 66 -4.355 4.199 -9.321 1.00 0.00 O ATOM 955 CB GLU A 66 -2.936 6.780 -11.173 1.00 0.00 C ATOM 956 CG GLU A 66 -1.738 7.635 -10.796 1.00 0.00 C ATOM 957 CD GLU A 66 -1.784 9.013 -11.427 1.00 0.00 C ATOM 958 OE1 GLU A 66 -2.375 9.927 -10.816 1.00 0.00 O ATOM 959 OE2 GLU A 66 -1.227 9.177 -12.533 1.00 0.00 O ATOM 0 H GLU A 66 -2.005 5.080 -12.698 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.148 5.244 -9.892 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.089 6.838 -12.251 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.828 7.192 -10.702 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.696 7.737 -9.712 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.823 7.129 -11.104 1.00 0.00 H new ATOM 966 N LYS A 67 -5.103 4.846 -11.341 1.00 0.00 N ATOM 967 CA LYS A 67 -6.452 4.336 -11.128 1.00 0.00 C ATOM 968 C LYS A 67 -6.419 2.869 -10.711 1.00 0.00 C ATOM 969 O LYS A 67 -7.337 2.380 -10.052 1.00 0.00 O ATOM 970 CB LYS A 67 -7.287 4.498 -12.399 1.00 0.00 C ATOM 971 CG LYS A 67 -7.535 5.946 -12.784 1.00 0.00 C ATOM 972 CD LYS A 67 -6.442 6.476 -13.696 1.00 0.00 C ATOM 973 CE LYS A 67 -6.972 7.545 -14.639 1.00 0.00 C ATOM 974 NZ LYS A 67 -5.891 8.458 -15.105 1.00 0.00 N ATOM 0 H LYS A 67 -4.958 5.286 -12.250 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.910 4.913 -10.325 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.781 3.993 -13.222 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.246 3.999 -12.260 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.500 6.030 -13.284 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.588 6.559 -11.884 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.633 6.889 -13.094 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.020 5.655 -14.276 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.442 7.069 -15.500 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.744 8.125 -14.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.120 8.810 -16.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.808 9.261 -14.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.989 7.941 -15.135 1.00 0.00 H new ATOM 988 N CYS A 68 -5.356 2.173 -11.099 1.00 0.00 N ATOM 989 CA CYS A 68 -5.203 0.761 -10.765 1.00 0.00 C ATOM 990 C CYS A 68 -4.556 0.593 -9.394 1.00 0.00 C ATOM 991 O CYS A 68 -4.645 -0.471 -8.779 1.00 0.00 O ATOM 992 CB CYS A 68 -4.364 0.052 -11.828 1.00 0.00 C ATOM 993 SG CYS A 68 -4.601 -1.740 -11.882 1.00 0.00 S ATOM 0 H CYS A 68 -4.588 2.563 -11.645 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.195 0.311 -10.736 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.607 0.469 -12.805 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.311 0.263 -11.644 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.585 -2.294 -12.475 1.00 0.00 H new ATOM 999 N LEU A 69 -3.905 1.649 -8.920 1.00 0.00 N ATOM 1000 CA LEU A 69 -3.240 1.619 -7.621 1.00 0.00 C ATOM 1001 C LEU A 69 -4.158 2.156 -6.528 1.00 0.00 C ATOM 1002 O LEU A 69 -4.011 1.811 -5.355 1.00 0.00 O ATOM 1003 CB LEU A 69 -1.950 2.439 -7.668 1.00 0.00 C ATOM 1004 CG LEU A 69 -1.532 3.108 -6.357 1.00 0.00 C ATOM 1005 CD1 LEU A 69 -0.909 2.091 -5.414 1.00 0.00 C ATOM 1006 CD2 LEU A 69 -0.565 4.251 -6.627 1.00 0.00 C ATOM 0 H LEU A 69 -3.823 2.537 -9.415 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.996 0.582 -7.388 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.140 1.787 -7.994 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.062 3.212 -8.428 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.422 3.517 -5.880 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.618 2.585 -4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.633 1.306 -5.195 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.029 1.652 -5.883 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.278 4.715 -5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.324 3.865 -7.127 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.047 4.992 -7.265 1.00 0.00 H new ATOM 1018 N HIS A 70 -5.107 3.000 -6.920 1.00 0.00 N ATOM 1019 CA HIS A 70 -6.052 3.582 -5.973 1.00 0.00 C ATOM 1020 C HIS A 70 -7.296 2.709 -5.840 1.00 0.00 C ATOM 1021 O HIS A 70 -8.097 2.887 -4.923 1.00 0.00 O ATOM 1022 CB HIS A 70 -6.449 4.990 -6.417 1.00 0.00 C ATOM 1023 CG HIS A 70 -5.354 6.000 -6.257 1.00 0.00 C ATOM 1024 ND1 HIS A 70 -5.435 7.066 -5.386 1.00 0.00 N ATOM 1025 CD2 HIS A 70 -4.147 6.100 -6.861 1.00 0.00 C ATOM 1026 CE1 HIS A 70 -4.325 7.779 -5.463 1.00 0.00 C ATOM 1027 NE2 HIS A 70 -3.527 7.214 -6.351 1.00 0.00 N ATOM 0 H HIS A 70 -5.242 3.296 -7.887 1.00 0.00 H new ATOM 0 HA HIS A 70 -5.564 3.639 -5.000 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.754 4.960 -7.463 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.316 5.313 -5.841 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -6.227 7.272 -4.778 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.746 5.428 -7.606 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.107 8.672 -4.896 1.00 0.00 H new ATOM 1035 N LYS A 71 -7.451 1.764 -6.761 1.00 0.00 N ATOM 1036 CA LYS A 71 -8.596 0.861 -6.747 1.00 0.00 C ATOM 1037 C LYS A 71 -8.326 -0.347 -5.857 1.00 0.00 C ATOM 1038 O LYS A 71 -9.251 -1.052 -5.453 1.00 0.00 O ATOM 1039 CB LYS A 71 -8.924 0.398 -8.169 1.00 0.00 C ATOM 1040 CG LYS A 71 -7.822 -0.430 -8.808 1.00 0.00 C ATOM 1041 CD LYS A 71 -7.996 -1.911 -8.515 1.00 0.00 C ATOM 1042 CE LYS A 71 -9.167 -2.498 -9.289 1.00 0.00 C ATOM 1043 NZ LYS A 71 -10.447 -2.373 -8.538 1.00 0.00 N ATOM 0 H LYS A 71 -6.797 1.603 -7.527 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.450 1.404 -6.342 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.842 -0.189 -8.148 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.118 1.272 -8.791 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.823 -0.269 -9.886 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.853 -0.096 -8.437 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.082 -2.445 -8.776 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.156 -2.055 -7.446 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.258 -1.991 -10.249 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.972 -3.549 -9.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.952 -3.282 -8.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.247 -2.111 -7.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.038 -1.639 -8.978 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.053 -0.580 -5.554 1.00 0.00 N ATOM 1058 CA ILE A 72 -6.663 -1.702 -4.709 1.00 0.00 C ATOM 1059 C ILE A 72 -5.844 -1.230 -3.512 1.00 0.00 C ATOM 1060 O ILE A 72 -5.532 -2.011 -2.614 1.00 0.00 O ATOM 1061 CB ILE A 72 -5.845 -2.742 -5.497 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -5.070 -2.064 -6.629 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -6.759 -3.826 -6.049 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -4.351 -3.036 -7.537 1.00 0.00 C ATOM 0 H ILE A 72 -6.275 -0.007 -5.881 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.584 -2.167 -4.356 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.128 -3.207 -4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.761 -1.467 -7.224 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.343 -1.376 -6.199 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.167 -4.554 -6.604 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.270 -4.325 -5.226 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.496 -3.376 -6.714 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.824 -2.485 -8.315 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.635 -3.616 -6.955 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.075 -3.709 -7.996 1.00 0.00 H new ATOM 1076 N ASN A 73 -5.503 0.054 -3.505 1.00 0.00 N ATOM 1077 CA ASN A 73 -4.722 0.632 -2.417 1.00 0.00 C ATOM 1078 C ASN A 73 -5.467 0.516 -1.091 1.00 0.00 C ATOM 1079 O ASN A 73 -6.177 1.434 -0.684 1.00 0.00 O ATOM 1080 CB ASN A 73 -4.406 2.100 -2.711 1.00 0.00 C ATOM 1081 CG ASN A 73 -4.263 2.924 -1.446 1.00 0.00 C ATOM 1082 OD1 ASN A 73 -5.161 3.682 -1.081 1.00 0.00 O ATOM 1083 ND2 ASN A 73 -3.128 2.780 -0.772 1.00 0.00 N ATOM 0 H ASN A 73 -5.755 0.714 -4.240 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.788 0.075 -2.338 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.483 2.162 -3.288 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.198 2.523 -3.329 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.974 3.310 0.086 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.411 2.140 -1.112 1.00 0.00 H new ATOM 1090 N GLY A 74 -5.300 -0.621 -0.421 1.00 0.00 N ATOM 1091 CA GLY A 74 -5.962 -0.837 0.852 1.00 0.00 C ATOM 1092 C GLY A 74 -6.963 -1.974 0.799 1.00 0.00 C ATOM 1093 O GLY A 74 -7.361 -2.510 1.833 1.00 0.00 O ATOM 0 H GLY A 74 -4.718 -1.396 -0.738 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.214 -1.051 1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.472 0.078 1.153 1.00 0.00 H new ATOM 1097 N LYS A 75 -7.374 -2.342 -0.410 1.00 0.00 N ATOM 1098 CA LYS A 75 -8.336 -3.423 -0.595 1.00 0.00 C ATOM 1099 C LYS A 75 -7.750 -4.756 -0.142 1.00 0.00 C ATOM 1100 O LYS A 75 -6.534 -4.945 -0.099 1.00 0.00 O ATOM 1101 CB LYS A 75 -8.758 -3.511 -2.063 1.00 0.00 C ATOM 1102 CG LYS A 75 -9.761 -2.446 -2.473 1.00 0.00 C ATOM 1103 CD LYS A 75 -11.159 -2.776 -1.978 1.00 0.00 C ATOM 1104 CE LYS A 75 -12.075 -1.564 -2.046 1.00 0.00 C ATOM 1105 NZ LYS A 75 -12.516 -1.279 -3.439 1.00 0.00 N ATOM 0 H LYS A 75 -7.056 -1.908 -1.276 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.212 -3.206 0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.872 -3.426 -2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.188 -4.495 -2.250 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.451 -1.480 -2.074 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.771 -2.353 -3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.577 -3.584 -2.578 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.107 -3.137 -0.951 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.948 -1.733 -1.416 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.556 -0.694 -1.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.139 -0.446 -3.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.684 -1.092 -4.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.034 -2.099 -3.814 1.00 0.00 H new ATOM 1119 N PRO A 76 -8.633 -5.705 0.202 1.00 0.00 N ATOM 1120 CA PRO A 76 -8.226 -7.038 0.656 1.00 0.00 C ATOM 1121 C PRO A 76 -7.619 -7.872 -0.467 1.00 0.00 C ATOM 1122 O PRO A 76 -8.200 -7.995 -1.547 1.00 0.00 O ATOM 1123 CB PRO A 76 -9.536 -7.664 1.139 1.00 0.00 C ATOM 1124 CG PRO A 76 -10.600 -6.953 0.376 1.00 0.00 C ATOM 1125 CD PRO A 76 -10.097 -5.550 0.175 1.00 0.00 C ATOM 0 HA PRO A 76 -7.453 -6.989 1.423 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.558 -8.736 0.944 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.665 -7.533 2.213 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.787 -7.441 -0.580 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.542 -6.955 0.925 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.439 -5.132 -0.772 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.445 -4.882 0.963 1.00 0.00 H new ATOM 1133 N LEU A 77 -6.449 -8.445 -0.207 1.00 0.00 N ATOM 1134 CA LEU A 77 -5.764 -9.269 -1.197 1.00 0.00 C ATOM 1135 C LEU A 77 -6.295 -10.698 -1.177 1.00 0.00 C ATOM 1136 O LEU A 77 -6.281 -11.378 -0.151 1.00 0.00 O ATOM 1137 CB LEU A 77 -4.257 -9.269 -0.933 1.00 0.00 C ATOM 1138 CG LEU A 77 -3.475 -10.451 -1.509 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -3.552 -10.453 -3.027 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -2.026 -10.407 -1.046 1.00 0.00 C ATOM 0 H LEU A 77 -5.955 -8.354 0.681 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.955 -8.844 -2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.837 -8.349 -1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.097 -9.244 0.145 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.925 -11.374 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.990 -11.301 -3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.594 -10.533 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.128 -9.527 -3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.484 -11.255 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.564 -9.479 -1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.990 -10.455 0.042 1.00 0.00 H new ATOM 1152 N PRO A 78 -6.773 -11.168 -2.339 1.00 0.00 N ATOM 1153 CA PRO A 78 -7.315 -12.523 -2.482 1.00 0.00 C ATOM 1154 C PRO A 78 -6.234 -13.594 -2.381 1.00 0.00 C ATOM 1155 O PRO A 78 -5.049 -13.311 -2.552 1.00 0.00 O ATOM 1156 CB PRO A 78 -7.928 -12.513 -3.884 1.00 0.00 C ATOM 1157 CG PRO A 78 -7.172 -11.462 -4.622 1.00 0.00 C ATOM 1158 CD PRO A 78 -6.820 -10.414 -3.603 1.00 0.00 C ATOM 0 HA PRO A 78 -8.027 -12.763 -1.692 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -7.828 -13.485 -4.367 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -8.993 -12.283 -3.849 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.275 -11.877 -5.082 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.775 -11.039 -5.425 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.863 -9.943 -3.826 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.566 -9.620 -3.569 1.00 0.00 H new ATOM 1166 N GLY A 79 -6.651 -14.825 -2.102 1.00 0.00 N ATOM 1167 CA GLY A 79 -5.706 -15.920 -1.983 1.00 0.00 C ATOM 1168 C GLY A 79 -4.981 -15.917 -0.652 1.00 0.00 C ATOM 1169 O GLY A 79 -4.954 -16.928 0.049 1.00 0.00 O ATOM 0 H GLY A 79 -7.627 -15.084 -1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.234 -16.866 -2.104 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.977 -15.856 -2.791 1.00 0.00 H new ATOM 1173 N ALA A 80 -4.390 -14.779 -0.304 1.00 0.00 N ATOM 1174 CA ALA A 80 -3.661 -14.650 0.952 1.00 0.00 C ATOM 1175 C ALA A 80 -4.422 -15.307 2.098 1.00 0.00 C ATOM 1176 O ALA A 80 -5.650 -15.242 2.161 1.00 0.00 O ATOM 1177 CB ALA A 80 -3.399 -13.183 1.261 1.00 0.00 C ATOM 0 H ALA A 80 -4.402 -13.933 -0.874 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.706 -15.163 0.844 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.854 -13.101 2.201 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.807 -12.742 0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.348 -12.654 1.344 1.00 0.00 H new ATOM 1183 N THR A 81 -3.685 -15.941 3.005 1.00 0.00 N ATOM 1184 CA THR A 81 -4.290 -16.611 4.149 1.00 0.00 C ATOM 1185 C THR A 81 -3.659 -16.147 5.456 1.00 0.00 C ATOM 1186 O THR A 81 -2.438 -16.131 5.613 1.00 0.00 O ATOM 1187 CB THR A 81 -4.152 -18.142 4.040 1.00 0.00 C ATOM 1188 OG1 THR A 81 -4.901 -18.623 2.919 1.00 0.00 O ATOM 1189 CG2 THR A 81 -4.639 -18.821 5.312 1.00 0.00 C ATOM 0 H THR A 81 -2.668 -16.004 2.969 1.00 0.00 H new ATOM 0 HA THR A 81 -5.348 -16.347 4.147 1.00 0.00 H new ATOM 0 HB THR A 81 -3.098 -18.381 3.901 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.807 -19.596 2.856 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.532 -19.901 5.212 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.047 -18.475 6.159 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.688 -18.574 5.478 1.00 0.00 H new ATOM 1197 N PRO A 82 -4.508 -15.759 6.419 1.00 0.00 N ATOM 1198 CA PRO A 82 -5.964 -15.773 6.244 1.00 0.00 C ATOM 1199 C PRO A 82 -6.439 -14.709 5.261 1.00 0.00 C ATOM 1200 O PRO A 82 -7.245 -14.987 4.373 1.00 0.00 O ATOM 1201 CB PRO A 82 -6.493 -15.477 7.649 1.00 0.00 C ATOM 1202 CG PRO A 82 -5.393 -14.727 8.318 1.00 0.00 C ATOM 1203 CD PRO A 82 -4.113 -15.277 7.753 1.00 0.00 C ATOM 0 HA PRO A 82 -6.316 -16.719 5.832 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.409 -14.887 7.611 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.728 -16.396 8.185 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.477 -13.657 8.125 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -5.431 -14.860 9.399 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.340 -14.511 7.691 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.715 -16.083 8.370 1.00 0.00 H new ATOM 1211 N ALA A 83 -5.935 -13.490 5.425 1.00 0.00 N ATOM 1212 CA ALA A 83 -6.306 -12.386 4.550 1.00 0.00 C ATOM 1213 C ALA A 83 -5.378 -11.192 4.748 1.00 0.00 C ATOM 1214 O ALA A 83 -5.287 -10.638 5.844 1.00 0.00 O ATOM 1215 CB ALA A 83 -7.751 -11.979 4.797 1.00 0.00 C ATOM 0 H ALA A 83 -5.268 -13.243 6.156 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.206 -12.724 3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.014 -11.153 4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.407 -12.826 4.598 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.868 -11.665 5.834 1.00 0.00 H new ATOM 1221 N LYS A 84 -4.690 -10.800 3.681 1.00 0.00 N ATOM 1222 CA LYS A 84 -3.768 -9.672 3.737 1.00 0.00 C ATOM 1223 C LYS A 84 -4.351 -8.457 3.022 1.00 0.00 C ATOM 1224 O LYS A 84 -5.349 -8.565 2.309 1.00 0.00 O ATOM 1225 CB LYS A 84 -2.426 -10.051 3.107 1.00 0.00 C ATOM 1226 CG LYS A 84 -1.229 -9.425 3.802 1.00 0.00 C ATOM 1227 CD LYS A 84 0.044 -9.608 2.993 1.00 0.00 C ATOM 1228 CE LYS A 84 0.709 -10.943 3.295 1.00 0.00 C ATOM 1229 NZ LYS A 84 1.448 -10.915 4.587 1.00 0.00 N ATOM 0 H LYS A 84 -4.754 -11.247 2.766 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.611 -9.415 4.785 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.319 -11.136 3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.427 -9.748 2.060 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.413 -8.362 3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.103 -9.874 4.787 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.188 -9.548 1.930 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.737 -8.797 3.215 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.048 -11.727 3.327 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.397 -11.197 2.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.461 -11.869 5.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.424 -10.596 4.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.976 -10.260 5.243 1.00 0.00 H new ATOM 1243 N ARG A 85 -3.723 -7.302 3.218 1.00 0.00 N ATOM 1244 CA ARG A 85 -4.180 -6.068 2.592 1.00 0.00 C ATOM 1245 C ARG A 85 -3.314 -5.717 1.386 1.00 0.00 C ATOM 1246 O ARG A 85 -2.133 -6.061 1.335 1.00 0.00 O ATOM 1247 CB ARG A 85 -4.156 -4.919 3.602 1.00 0.00 C ATOM 1248 CG ARG A 85 -5.041 -3.747 3.213 1.00 0.00 C ATOM 1249 CD ARG A 85 -5.593 -3.035 4.438 1.00 0.00 C ATOM 1250 NE ARG A 85 -4.651 -2.054 4.971 1.00 0.00 N ATOM 1251 CZ ARG A 85 -4.682 -1.610 6.223 1.00 0.00 C ATOM 1252 NH1 ARG A 85 -5.602 -2.058 7.066 1.00 0.00 N ATOM 1253 NH2 ARG A 85 -3.791 -0.717 6.633 1.00 0.00 N ATOM 0 H ARG A 85 -2.896 -7.196 3.806 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.204 -6.221 2.250 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.473 -5.295 4.575 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.131 -4.567 3.715 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.469 -3.043 2.608 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.866 -4.102 2.595 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.527 -2.537 4.178 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.827 -3.769 5.209 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.930 -1.690 4.348 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.288 -2.745 6.754 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.624 -1.716 8.027 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.082 -0.371 5.987 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.815 -0.377 7.594 1.00 0.00 H new ATOM 1267 N PHE A 86 -3.910 -5.031 0.416 1.00 0.00 N ATOM 1268 CA PHE A 86 -3.193 -4.635 -0.791 1.00 0.00 C ATOM 1269 C PHE A 86 -2.289 -3.436 -0.518 1.00 0.00 C ATOM 1270 O PHE A 86 -2.749 -2.296 -0.464 1.00 0.00 O ATOM 1271 CB PHE A 86 -4.182 -4.297 -1.909 1.00 0.00 C ATOM 1272 CG PHE A 86 -4.515 -5.469 -2.789 1.00 0.00 C ATOM 1273 CD1 PHE A 86 -3.519 -6.133 -3.486 1.00 0.00 C ATOM 1274 CD2 PHE A 86 -5.823 -5.905 -2.918 1.00 0.00 C ATOM 1275 CE1 PHE A 86 -3.822 -7.211 -4.297 1.00 0.00 C ATOM 1276 CE2 PHE A 86 -6.133 -6.982 -3.727 1.00 0.00 C ATOM 1277 CZ PHE A 86 -5.131 -7.636 -4.416 1.00 0.00 C ATOM 0 H PHE A 86 -4.887 -4.738 0.442 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.571 -5.473 -1.106 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.101 -3.912 -1.466 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.765 -3.499 -2.523 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.494 -5.805 -3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.610 -5.398 -2.380 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.037 -7.720 -4.836 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.157 -7.311 -3.820 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.370 -8.479 -5.047 1.00 0.00 H new ATOM 1287 N LYS A 87 -0.999 -3.704 -0.347 1.00 0.00 N ATOM 1288 CA LYS A 87 -0.027 -2.650 -0.080 1.00 0.00 C ATOM 1289 C LYS A 87 0.646 -2.191 -1.370 1.00 0.00 C ATOM 1290 O LYS A 87 1.577 -2.832 -1.858 1.00 0.00 O ATOM 1291 CB LYS A 87 1.029 -3.140 0.912 1.00 0.00 C ATOM 1292 CG LYS A 87 1.683 -2.023 1.707 1.00 0.00 C ATOM 1293 CD LYS A 87 0.751 -1.482 2.778 1.00 0.00 C ATOM 1294 CE LYS A 87 1.157 -0.083 3.215 1.00 0.00 C ATOM 1295 NZ LYS A 87 2.189 -0.114 4.288 1.00 0.00 N ATOM 0 H LYS A 87 -0.602 -4.643 -0.389 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.558 -1.803 0.354 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.566 -3.844 1.604 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.800 -3.687 0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.597 -2.393 2.172 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.972 -1.216 1.033 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.270 -1.463 2.398 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.758 -2.150 3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.542 0.468 2.357 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.279 0.455 3.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.439 0.859 4.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.813 -0.618 5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.037 -0.605 3.940 1.00 0.00 H new ATOM 1309 N LEU A 88 0.170 -1.077 -1.916 1.00 0.00 N ATOM 1310 CA LEU A 88 0.727 -0.532 -3.149 1.00 0.00 C ATOM 1311 C LEU A 88 1.148 0.922 -2.959 1.00 0.00 C ATOM 1312 O LEU A 88 0.581 1.641 -2.137 1.00 0.00 O ATOM 1313 CB LEU A 88 -0.295 -0.635 -4.283 1.00 0.00 C ATOM 1314 CG LEU A 88 -0.967 -1.997 -4.459 1.00 0.00 C ATOM 1315 CD1 LEU A 88 -2.003 -1.941 -5.571 1.00 0.00 C ATOM 1316 CD2 LEU A 88 0.072 -3.070 -4.749 1.00 0.00 C ATOM 0 H LEU A 88 -0.600 -0.534 -1.525 1.00 0.00 H new ATOM 0 HA LEU A 88 1.610 -1.116 -3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.071 0.112 -4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.201 -0.374 -5.218 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.475 -2.253 -3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.471 -2.919 -5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.764 -1.201 -5.323 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.518 -1.663 -6.507 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.424 -4.033 -4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.608 -2.819 -5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.777 -3.128 -3.920 1.00 0.00 H new ATOM 1328 N ASN A 89 2.145 1.349 -3.727 1.00 0.00 N ATOM 1329 CA ASN A 89 2.642 2.718 -3.645 1.00 0.00 C ATOM 1330 C ASN A 89 3.314 3.132 -4.951 1.00 0.00 C ATOM 1331 O ASN A 89 3.494 2.316 -5.855 1.00 0.00 O ATOM 1332 CB ASN A 89 3.629 2.855 -2.484 1.00 0.00 C ATOM 1333 CG ASN A 89 2.946 3.243 -1.187 1.00 0.00 C ATOM 1334 OD1 ASN A 89 2.689 2.397 -0.331 1.00 0.00 O ATOM 1335 ND2 ASN A 89 2.647 4.528 -1.037 1.00 0.00 N ATOM 0 H ASN A 89 2.625 0.767 -4.413 1.00 0.00 H new ATOM 0 HA ASN A 89 1.792 3.377 -3.470 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.156 1.911 -2.346 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.379 3.605 -2.735 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.186 4.848 -0.186 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.879 5.195 -1.773 1.00 0.00 H new ATOM 1342 N TYR A 90 3.682 4.405 -5.042 1.00 0.00 N ATOM 1343 CA TYR A 90 4.332 4.929 -6.237 1.00 0.00 C ATOM 1344 C TYR A 90 5.780 4.456 -6.321 1.00 0.00 C ATOM 1345 O TYR A 90 6.496 4.430 -5.320 1.00 0.00 O ATOM 1346 CB TYR A 90 4.282 6.458 -6.242 1.00 0.00 C ATOM 1347 CG TYR A 90 2.948 7.018 -6.678 1.00 0.00 C ATOM 1348 CD1 TYR A 90 2.291 6.514 -7.794 1.00 0.00 C ATOM 1349 CD2 TYR A 90 2.344 8.053 -5.974 1.00 0.00 C ATOM 1350 CE1 TYR A 90 1.072 7.024 -8.196 1.00 0.00 C ATOM 1351 CE2 TYR A 90 1.124 8.568 -6.369 1.00 0.00 C ATOM 1352 CZ TYR A 90 0.492 8.050 -7.480 1.00 0.00 C ATOM 1353 OH TYR A 90 -0.722 8.561 -7.877 1.00 0.00 O ATOM 0 H TYR A 90 3.541 5.093 -4.302 1.00 0.00 H new ATOM 0 HA TYR A 90 3.794 4.552 -7.107 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.511 6.824 -5.241 1.00 0.00 H new ATOM 0 HB3 TYR A 90 5.060 6.837 -6.905 1.00 0.00 H new ATOM 0 HD1 TYR A 90 2.741 5.710 -8.357 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.836 8.462 -5.104 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.576 6.621 -9.067 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.668 9.372 -5.811 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.441 8.123 -7.375 1.00 0.00 H new ATOM 1363 N ALA A 91 6.205 4.082 -7.524 1.00 0.00 N ATOM 1364 CA ALA A 91 7.568 3.612 -7.741 1.00 0.00 C ATOM 1365 C ALA A 91 8.580 4.722 -7.476 1.00 0.00 C ATOM 1366 O ALA A 91 9.790 4.495 -7.508 1.00 0.00 O ATOM 1367 CB ALA A 91 7.723 3.081 -9.158 1.00 0.00 C ATOM 0 H ALA A 91 5.625 4.095 -8.363 1.00 0.00 H new ATOM 0 HA ALA A 91 7.764 2.802 -7.038 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.745 2.733 -9.306 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.032 2.253 -9.314 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.503 3.876 -9.871 1.00 0.00 H new