USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 681 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 60 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 81 ASN : amide:sc= -0.265 K(o=-0.26,f=-1.1) USER MOD Set 2.1: A 14 MET CE :methyl -167:sc=-0.00242 (180deg=-0.0945) USER MOD Set 2.2: A 57 HIS : no HD1:sc= -0.0274 X(o=-0.03,f=-0.0081) USER MOD Set 3.1: A 28 MET CE :methyl -137:sc= 0 (180deg=-0.00064) USER MOD Set 3.2: A 50 THR OG1 : rot -170:sc= 0 USER MOD Set 4.1: A 8 ASN : amide:sc= 0.627 K(o=1.8,f=-3.7) USER MOD Set 4.2: A 25 LYS NZ :NH3+ -169:sc= 1.13 (180deg=0.576) USER MOD Single : A 1 GLU N :NH3+ 130:sc= 0.0516 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0525 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0255 USER MOD Single : A 13 HIS : no HE2:sc= 1.04 K(o=1,f=-3.2!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 CYS SG : rot 180:sc=-0.000391 USER MOD Single : A 33 ASN : amide:sc= -0.0402 X(o=-0.04,f=-0.04) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -162:sc= 1.27 (180deg=1.13) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.236 K(o=-0.24,f=-1.1) USER MOD Single : A 59 CYS SG : rot -140:sc= -0.0305 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.11 K(o=-0.11,f=-0.63) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 18.725 9.601 9.155 1.00 0.00 N ATOM 2 CA GLU A 1 17.850 8.473 9.572 1.00 0.00 C ATOM 3 C GLU A 1 16.885 8.113 8.428 1.00 0.00 C ATOM 4 O GLU A 1 16.520 8.978 7.627 1.00 0.00 O ATOM 5 CB GLU A 1 17.112 8.808 10.890 1.00 0.00 C ATOM 6 CG GLU A 1 16.470 7.584 11.562 1.00 0.00 C ATOM 7 CD GLU A 1 15.836 7.951 12.915 1.00 0.00 C ATOM 8 OE1 GLU A 1 14.640 8.329 12.930 1.00 0.00 O ATOM 9 OE2 GLU A 1 16.519 7.842 13.960 1.00 0.00 O ATOM 0 H1 GLU A 1 18.714 10.338 9.888 1.00 0.00 H new ATOM 0 H2 GLU A 1 19.698 9.256 9.025 1.00 0.00 H new ATOM 0 H3 GLU A 1 18.376 9.998 8.259 1.00 0.00 H new ATOM 0 HA GLU A 1 18.461 7.594 9.776 1.00 0.00 H new ATOM 0 HB2 GLU A 1 17.816 9.266 11.585 1.00 0.00 H new ATOM 0 HB3 GLU A 1 16.338 9.548 10.686 1.00 0.00 H new ATOM 0 HG2 GLU A 1 15.709 7.164 10.904 1.00 0.00 H new ATOM 0 HG3 GLU A 1 17.225 6.812 11.710 1.00 0.00 H new ATOM 18 N ASP A 2 16.481 6.843 8.325 1.00 0.00 N ATOM 19 CA ASP A 2 15.602 6.357 7.256 1.00 0.00 C ATOM 20 C ASP A 2 14.200 6.969 7.368 1.00 0.00 C ATOM 21 O ASP A 2 13.668 7.105 8.477 1.00 0.00 O ATOM 22 CB ASP A 2 15.512 4.828 7.299 1.00 0.00 C ATOM 23 CG ASP A 2 14.567 4.301 6.204 1.00 0.00 C ATOM 24 OD1 ASP A 2 14.923 4.398 5.005 1.00 0.00 O ATOM 25 OD2 ASP A 2 13.466 3.796 6.535 1.00 0.00 O ATOM 0 H ASP A 2 16.757 6.117 8.986 1.00 0.00 H new ATOM 0 HA ASP A 2 16.031 6.664 6.302 1.00 0.00 H new ATOM 0 HB2 ASP A 2 16.505 4.398 7.166 1.00 0.00 H new ATOM 0 HB3 ASP A 2 15.155 4.508 8.278 1.00 0.00 H new ATOM 30 N ARG A 3 13.602 7.335 6.228 1.00 0.00 N ATOM 31 CA ARG A 3 12.224 7.815 6.124 1.00 0.00 C ATOM 32 C ARG A 3 11.600 7.252 4.847 1.00 0.00 C ATOM 33 O ARG A 3 12.317 6.951 3.885 1.00 0.00 O ATOM 34 CB ARG A 3 12.169 9.356 6.108 1.00 0.00 C ATOM 35 CG ARG A 3 12.469 9.999 7.469 1.00 0.00 C ATOM 36 CD ARG A 3 11.382 9.721 8.520 1.00 0.00 C ATOM 37 NE ARG A 3 11.666 10.410 9.793 1.00 0.00 N ATOM 38 CZ ARG A 3 12.430 9.948 10.794 1.00 0.00 C ATOM 39 NH1 ARG A 3 13.093 8.803 10.688 1.00 0.00 N ATOM 40 NH2 ARG A 3 12.539 10.639 11.924 1.00 0.00 N ATOM 0 H ARG A 3 14.080 7.303 5.327 1.00 0.00 H new ATOM 0 HA ARG A 3 11.664 7.474 6.995 1.00 0.00 H new ATOM 0 HB2 ARG A 3 12.884 9.729 5.375 1.00 0.00 H new ATOM 0 HB3 ARG A 3 11.180 9.672 5.777 1.00 0.00 H new ATOM 0 HG2 ARG A 3 13.425 9.627 7.837 1.00 0.00 H new ATOM 0 HG3 ARG A 3 12.574 11.076 7.340 1.00 0.00 H new ATOM 0 HD2 ARG A 3 10.414 10.046 8.138 1.00 0.00 H new ATOM 0 HD3 ARG A 3 11.311 8.647 8.695 1.00 0.00 H new ATOM 0 HE ARG A 3 11.240 11.327 9.925 1.00 0.00 H new ATOM 0 HH11 ARG A 3 13.028 8.253 9.831 1.00 0.00 H new ATOM 0 HH12 ARG A 3 13.668 8.473 11.463 1.00 0.00 H new ATOM 0 HH21 ARG A 3 12.041 11.523 12.031 1.00 0.00 H new ATOM 0 HH22 ARG A 3 13.121 10.286 12.684 1.00 0.00 H new ATOM 54 N SER A 4 10.271 7.150 4.823 1.00 0.00 N ATOM 55 CA SER A 4 9.511 6.757 3.640 1.00 0.00 C ATOM 56 C SER A 4 9.713 7.781 2.514 1.00 0.00 C ATOM 57 O SER A 4 9.968 8.962 2.774 1.00 0.00 O ATOM 58 CB SER A 4 8.023 6.648 4.002 1.00 0.00 C ATOM 59 OG SER A 4 7.845 5.865 5.180 1.00 0.00 O ATOM 0 H SER A 4 9.686 7.341 5.636 1.00 0.00 H new ATOM 0 HA SER A 4 9.866 5.788 3.290 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.607 7.644 4.156 1.00 0.00 H new ATOM 0 HB3 SER A 4 7.475 6.198 3.174 1.00 0.00 H new ATOM 0 HG SER A 4 6.890 5.809 5.395 1.00 0.00 H new ATOM 65 N LYS A 5 9.551 7.352 1.255 1.00 0.00 N ATOM 66 CA LYS A 5 9.535 8.273 0.119 1.00 0.00 C ATOM 67 C LYS A 5 8.186 8.994 0.136 1.00 0.00 C ATOM 68 O LYS A 5 7.140 8.345 0.056 1.00 0.00 O ATOM 69 CB LYS A 5 9.767 7.529 -1.211 1.00 0.00 C ATOM 70 CG LYS A 5 11.089 6.740 -1.295 1.00 0.00 C ATOM 71 CD LYS A 5 12.379 7.551 -1.080 1.00 0.00 C ATOM 72 CE LYS A 5 12.568 8.642 -2.147 1.00 0.00 C ATOM 73 NZ LYS A 5 13.866 9.357 -1.997 1.00 0.00 N ATOM 0 H LYS A 5 9.429 6.372 1.001 1.00 0.00 H new ATOM 0 HA LYS A 5 10.347 8.995 0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.939 6.839 -1.373 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.742 8.254 -2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.059 5.941 -0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.143 6.264 -2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.355 8.012 -0.093 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.236 6.877 -1.097 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.516 8.191 -3.138 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.750 9.359 -2.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.950 10.083 -2.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.907 9.810 -1.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.649 8.678 -2.087 1.00 0.00 H new ATOM 87 N THR A 6 8.210 10.321 0.241 1.00 0.00 N ATOM 88 CA THR A 6 6.997 11.138 0.257 1.00 0.00 C ATOM 89 C THR A 6 6.433 11.261 -1.162 1.00 0.00 C ATOM 90 O THR A 6 5.222 11.167 -1.359 1.00 0.00 O ATOM 91 CB THR A 6 7.341 12.498 0.900 1.00 0.00 C ATOM 92 OG1 THR A 6 7.909 12.284 2.184 1.00 0.00 O ATOM 93 CG2 THR A 6 6.114 13.406 1.033 1.00 0.00 C ATOM 0 H THR A 6 9.072 10.861 0.318 1.00 0.00 H new ATOM 0 HA THR A 6 6.212 10.675 0.855 1.00 0.00 H new ATOM 0 HB THR A 6 8.053 13.000 0.245 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.129 13.147 2.592 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.408 14.350 1.491 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.694 13.597 0.046 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.366 12.918 1.657 1.00 0.00 H new ATOM 101 N THR A 7 7.298 11.457 -2.150 1.00 0.00 N ATOM 102 CA THR A 7 6.922 11.667 -3.540 1.00 0.00 C ATOM 103 C THR A 7 6.378 10.374 -4.168 1.00 0.00 C ATOM 104 O THR A 7 6.693 9.261 -3.730 1.00 0.00 O ATOM 105 CB THR A 7 8.133 12.251 -4.302 1.00 0.00 C ATOM 106 OG1 THR A 7 9.317 11.541 -3.956 1.00 0.00 O ATOM 107 CG2 THR A 7 8.356 13.723 -3.925 1.00 0.00 C ATOM 0 H THR A 7 8.307 11.474 -2.001 1.00 0.00 H new ATOM 0 HA THR A 7 6.106 12.387 -3.603 1.00 0.00 H new ATOM 0 HB THR A 7 7.923 12.162 -5.368 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.079 11.917 -4.445 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.213 14.113 -4.473 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.468 14.302 -4.179 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.545 13.800 -2.854 1.00 0.00 H new ATOM 115 N ASN A 8 5.559 10.529 -5.212 1.00 0.00 N ATOM 116 CA ASN A 8 5.098 9.442 -6.081 1.00 0.00 C ATOM 117 C ASN A 8 5.627 9.751 -7.465 1.00 0.00 C ATOM 118 O ASN A 8 5.575 10.907 -7.898 1.00 0.00 O ATOM 119 CB ASN A 8 3.562 9.313 -6.081 1.00 0.00 C ATOM 120 CG ASN A 8 3.037 8.600 -4.843 1.00 0.00 C ATOM 121 OD1 ASN A 8 2.482 9.224 -3.945 1.00 0.00 O ATOM 122 ND2 ASN A 8 3.215 7.292 -4.739 1.00 0.00 N ATOM 0 H ASN A 8 5.188 11.439 -5.484 1.00 0.00 H new ATOM 0 HA ASN A 8 5.469 8.482 -5.723 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.117 10.306 -6.140 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.246 8.769 -6.971 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.890 6.797 -3.908 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.677 6.779 -5.490 1.00 0.00 H new ATOM 129 N THR A 9 6.118 8.720 -8.147 1.00 0.00 N ATOM 130 CA THR A 9 6.695 8.821 -9.476 1.00 0.00 C ATOM 131 C THR A 9 5.886 7.913 -10.400 1.00 0.00 C ATOM 132 O THR A 9 5.382 6.878 -9.962 1.00 0.00 O ATOM 133 CB THR A 9 8.192 8.461 -9.409 1.00 0.00 C ATOM 134 OG1 THR A 9 8.853 9.337 -8.511 1.00 0.00 O ATOM 135 CG2 THR A 9 8.895 8.458 -10.776 1.00 0.00 C ATOM 0 H THR A 9 6.124 7.769 -7.778 1.00 0.00 H new ATOM 0 HA THR A 9 6.645 9.834 -9.875 1.00 0.00 H new ATOM 0 HB THR A 9 8.250 7.434 -9.047 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.804 9.105 -8.469 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.945 8.196 -10.645 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.417 7.728 -11.429 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.822 9.449 -11.225 1.00 0.00 H new ATOM 143 N TRP A 10 5.794 8.276 -11.676 1.00 0.00 N ATOM 144 CA TRP A 10 5.125 7.527 -12.724 1.00 0.00 C ATOM 145 C TRP A 10 5.959 7.622 -13.984 1.00 0.00 C ATOM 146 O TRP A 10 6.645 8.616 -14.209 1.00 0.00 O ATOM 147 CB TRP A 10 3.735 8.113 -12.979 1.00 0.00 C ATOM 148 CG TRP A 10 2.797 8.023 -11.824 1.00 0.00 C ATOM 149 CD1 TRP A 10 1.993 6.979 -11.561 1.00 0.00 C ATOM 150 CD2 TRP A 10 2.533 8.991 -10.772 1.00 0.00 C ATOM 151 NE1 TRP A 10 1.268 7.218 -10.411 1.00 0.00 N ATOM 152 CE2 TRP A 10 1.544 8.464 -9.892 1.00 0.00 C ATOM 153 CE3 TRP A 10 3.017 10.282 -10.503 1.00 0.00 C ATOM 154 CZ2 TRP A 10 1.047 9.197 -8.804 1.00 0.00 C ATOM 155 CZ3 TRP A 10 2.506 11.039 -9.437 1.00 0.00 C ATOM 156 CH2 TRP A 10 1.518 10.505 -8.591 1.00 0.00 C ATOM 0 H TRP A 10 6.206 9.144 -12.019 1.00 0.00 H new ATOM 0 HA TRP A 10 5.013 6.485 -12.424 1.00 0.00 H new ATOM 0 HB2 TRP A 10 3.844 9.161 -13.260 1.00 0.00 H new ATOM 0 HB3 TRP A 10 3.290 7.599 -13.831 1.00 0.00 H new ATOM 0 HD1 TRP A 10 1.924 6.084 -12.161 1.00 0.00 H new ATOM 0 HE1 TRP A 10 0.611 6.556 -9.998 1.00 0.00 H new ATOM 0 HE3 TRP A 10 3.794 10.699 -11.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 0.314 8.763 -8.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 2.875 12.040 -9.265 1.00 0.00 H new ATOM 0 HH2 TRP A 10 1.122 11.098 -7.780 1.00 0.00 H new ATOM 167 N VAL A 11 5.858 6.603 -14.824 1.00 0.00 N ATOM 168 CA VAL A 11 6.415 6.580 -16.159 1.00 0.00 C ATOM 169 C VAL A 11 5.253 6.703 -17.144 1.00 0.00 C ATOM 170 O VAL A 11 4.247 6.009 -16.985 1.00 0.00 O ATOM 171 CB VAL A 11 7.246 5.315 -16.369 1.00 0.00 C ATOM 172 CG1 VAL A 11 7.963 5.328 -17.732 1.00 0.00 C ATOM 173 CG2 VAL A 11 8.259 5.096 -15.233 1.00 0.00 C ATOM 0 H VAL A 11 5.368 5.742 -14.582 1.00 0.00 H new ATOM 0 HA VAL A 11 7.100 7.413 -16.319 1.00 0.00 H new ATOM 0 HB VAL A 11 6.547 4.479 -16.358 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.544 4.413 -17.846 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.224 5.391 -18.531 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.629 6.189 -17.785 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.828 4.186 -15.423 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.940 5.946 -15.184 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.728 5.001 -14.286 1.00 0.00 H new ATOM 183 N LEU A 12 5.399 7.545 -18.170 1.00 0.00 N ATOM 184 CA LEU A 12 4.483 7.612 -19.295 1.00 0.00 C ATOM 185 C LEU A 12 5.273 7.299 -20.546 1.00 0.00 C ATOM 186 O LEU A 12 6.203 8.030 -20.877 1.00 0.00 O ATOM 187 CB LEU A 12 3.848 9.007 -19.419 1.00 0.00 C ATOM 188 CG LEU A 12 2.981 9.447 -18.237 1.00 0.00 C ATOM 189 CD1 LEU A 12 2.404 10.831 -18.554 1.00 0.00 C ATOM 190 CD2 LEU A 12 1.851 8.449 -17.981 1.00 0.00 C ATOM 0 H LEU A 12 6.172 8.207 -18.237 1.00 0.00 H new ATOM 0 HA LEU A 12 3.674 6.897 -19.149 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.645 9.738 -19.554 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.238 9.030 -20.322 1.00 0.00 H new ATOM 0 HG LEU A 12 3.591 9.488 -17.335 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.782 11.165 -17.724 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.219 11.539 -18.704 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.801 10.775 -19.460 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.251 8.787 -17.136 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.221 8.378 -18.868 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.274 7.470 -17.757 1.00 0.00 H new ATOM 202 N HIS A 13 4.916 6.221 -21.232 1.00 0.00 N ATOM 203 CA HIS A 13 5.439 5.937 -22.555 1.00 0.00 C ATOM 204 C HIS A 13 4.515 6.657 -23.540 1.00 0.00 C ATOM 205 O HIS A 13 3.301 6.423 -23.522 1.00 0.00 O ATOM 206 CB HIS A 13 5.511 4.422 -22.791 1.00 0.00 C ATOM 207 CG HIS A 13 6.171 4.017 -24.089 1.00 0.00 C ATOM 208 ND1 HIS A 13 7.183 4.678 -24.755 1.00 0.00 N ATOM 209 CD2 HIS A 13 5.915 2.869 -24.790 1.00 0.00 C ATOM 210 CE1 HIS A 13 7.533 3.938 -25.820 1.00 0.00 C ATOM 211 NE2 HIS A 13 6.779 2.824 -25.892 1.00 0.00 N ATOM 0 H HIS A 13 4.258 5.523 -20.885 1.00 0.00 H new ATOM 0 HA HIS A 13 6.461 6.294 -22.683 1.00 0.00 H new ATOM 0 HB2 HIS A 13 6.054 3.964 -21.964 1.00 0.00 H new ATOM 0 HB3 HIS A 13 4.500 4.016 -22.771 1.00 0.00 H new ATOM 0 HD1 HIS A 13 7.593 5.572 -24.486 1.00 0.00 H new ATOM 0 HD2 HIS A 13 5.174 2.125 -24.537 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.311 4.200 -26.522 1.00 0.00 H new ATOM 219 N MET A 14 5.059 7.567 -24.349 1.00 0.00 N ATOM 220 CA MET A 14 4.291 8.466 -25.194 1.00 0.00 C ATOM 221 C MET A 14 5.181 8.895 -26.359 1.00 0.00 C ATOM 222 O MET A 14 6.321 9.298 -26.144 1.00 0.00 O ATOM 223 CB MET A 14 3.834 9.666 -24.344 1.00 0.00 C ATOM 224 CG MET A 14 3.080 10.746 -25.131 1.00 0.00 C ATOM 225 SD MET A 14 2.782 12.274 -24.193 1.00 0.00 S ATOM 226 CE MET A 14 1.752 11.662 -22.830 1.00 0.00 C ATOM 0 H MET A 14 6.067 7.698 -24.433 1.00 0.00 H new ATOM 0 HA MET A 14 3.401 7.984 -25.599 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.193 9.304 -23.540 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.708 10.118 -23.875 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.647 10.989 -26.030 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.123 10.340 -25.458 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.302 12.506 -22.307 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.965 11.021 -23.228 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.369 11.091 -22.136 1.00 0.00 H new ATOM 236 N ASP A 15 4.657 8.811 -27.587 1.00 0.00 N ATOM 237 CA ASP A 15 5.335 9.207 -28.830 1.00 0.00 C ATOM 238 C ASP A 15 6.743 8.600 -28.969 1.00 0.00 C ATOM 239 O ASP A 15 7.683 9.236 -29.460 1.00 0.00 O ATOM 240 CB ASP A 15 5.274 10.730 -29.014 1.00 0.00 C ATOM 241 CG ASP A 15 5.716 11.167 -30.424 1.00 0.00 C ATOM 242 OD1 ASP A 15 5.298 10.536 -31.427 1.00 0.00 O ATOM 243 OD2 ASP A 15 6.431 12.191 -30.547 1.00 0.00 O ATOM 0 H ASP A 15 3.716 8.453 -27.750 1.00 0.00 H new ATOM 0 HA ASP A 15 4.789 8.774 -29.668 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.256 11.075 -28.831 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.911 11.209 -28.271 1.00 0.00 H new ATOM 248 N GLY A 16 6.901 7.353 -28.509 1.00 0.00 N ATOM 249 CA GLY A 16 8.159 6.613 -28.568 1.00 0.00 C ATOM 250 C GLY A 16 9.201 7.073 -27.542 1.00 0.00 C ATOM 251 O GLY A 16 10.325 6.566 -27.558 1.00 0.00 O ATOM 0 H GLY A 16 6.142 6.824 -28.079 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.953 5.554 -28.412 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.581 6.712 -29.568 1.00 0.00 H new ATOM 255 N GLU A 17 8.849 7.996 -26.645 1.00 0.00 N ATOM 256 CA GLU A 17 9.657 8.477 -25.538 1.00 0.00 C ATOM 257 C GLU A 17 9.084 7.946 -24.223 1.00 0.00 C ATOM 258 O GLU A 17 8.009 7.339 -24.194 1.00 0.00 O ATOM 259 CB GLU A 17 9.757 10.016 -25.566 1.00 0.00 C ATOM 260 CG GLU A 17 10.741 10.487 -26.643 1.00 0.00 C ATOM 261 CD GLU A 17 10.939 12.013 -26.608 1.00 0.00 C ATOM 262 OE1 GLU A 17 11.835 12.491 -25.867 1.00 0.00 O ATOM 263 OE2 GLU A 17 10.236 12.746 -27.347 1.00 0.00 O ATOM 0 H GLU A 17 7.937 8.451 -26.680 1.00 0.00 H new ATOM 0 HA GLU A 17 10.676 8.101 -25.631 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.773 10.444 -25.757 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.079 10.380 -24.591 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.702 9.992 -26.499 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.374 10.190 -27.626 1.00 0.00 H new ATOM 270 N ASN A 18 9.824 8.139 -23.130 1.00 0.00 N ATOM 271 CA ASN A 18 9.463 7.702 -21.791 1.00 0.00 C ATOM 272 C ASN A 18 9.678 8.893 -20.866 1.00 0.00 C ATOM 273 O ASN A 18 10.820 9.308 -20.655 1.00 0.00 O ATOM 274 CB ASN A 18 10.302 6.488 -21.362 1.00 0.00 C ATOM 275 CG ASN A 18 10.057 5.273 -22.253 1.00 0.00 C ATOM 276 OD1 ASN A 18 10.823 5.001 -23.174 1.00 0.00 O ATOM 277 ND2 ASN A 18 8.978 4.538 -22.034 1.00 0.00 N ATOM 0 H ASN A 18 10.722 8.622 -23.160 1.00 0.00 H new ATOM 0 HA ASN A 18 8.423 7.377 -21.753 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.359 6.751 -21.392 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.066 6.232 -20.329 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.776 3.737 -22.633 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.348 4.772 -21.267 1.00 0.00 H new ATOM 284 N PHE A 19 8.589 9.449 -20.334 1.00 0.00 N ATOM 285 CA PHE A 19 8.627 10.622 -19.465 1.00 0.00 C ATOM 286 C PHE A 19 8.450 10.161 -18.024 1.00 0.00 C ATOM 287 O PHE A 19 7.525 9.403 -17.736 1.00 0.00 O ATOM 288 CB PHE A 19 7.547 11.638 -19.891 1.00 0.00 C ATOM 289 CG PHE A 19 7.674 12.101 -21.333 1.00 0.00 C ATOM 290 CD1 PHE A 19 8.795 12.856 -21.736 1.00 0.00 C ATOM 291 CD2 PHE A 19 6.686 11.763 -22.279 1.00 0.00 C ATOM 292 CE1 PHE A 19 8.937 13.255 -23.077 1.00 0.00 C ATOM 293 CE2 PHE A 19 6.829 12.170 -23.618 1.00 0.00 C ATOM 294 CZ PHE A 19 7.954 12.911 -24.019 1.00 0.00 C ATOM 0 H PHE A 19 7.647 9.093 -20.497 1.00 0.00 H new ATOM 0 HA PHE A 19 9.587 11.132 -19.550 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.564 11.190 -19.749 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.600 12.507 -19.235 1.00 0.00 H new ATOM 0 HD1 PHE A 19 9.548 13.129 -21.011 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.820 11.192 -21.977 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.802 13.826 -23.382 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.070 11.912 -24.342 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.062 13.215 -25.050 1.00 0.00 H new ATOM 304 N ARG A 20 9.306 10.619 -17.107 1.00 0.00 N ATOM 305 CA ARG A 20 9.118 10.426 -15.676 1.00 0.00 C ATOM 306 C ARG A 20 8.404 11.628 -15.105 1.00 0.00 C ATOM 307 O ARG A 20 8.864 12.755 -15.268 1.00 0.00 O ATOM 308 CB ARG A 20 10.441 10.142 -14.962 1.00 0.00 C ATOM 309 CG ARG A 20 10.804 8.663 -15.162 1.00 0.00 C ATOM 310 CD ARG A 20 11.416 8.130 -13.872 1.00 0.00 C ATOM 311 NE ARG A 20 11.832 6.720 -13.984 1.00 0.00 N ATOM 312 CZ ARG A 20 12.260 5.960 -12.964 1.00 0.00 C ATOM 313 NH1 ARG A 20 12.415 6.468 -11.747 1.00 0.00 N ATOM 314 NH2 ARG A 20 12.515 4.672 -13.151 1.00 0.00 N ATOM 0 H ARG A 20 10.153 11.137 -17.343 1.00 0.00 H new ATOM 0 HA ARG A 20 8.499 9.544 -15.512 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.229 10.781 -15.360 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.353 10.369 -13.899 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.916 8.088 -15.424 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.508 8.555 -15.987 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.279 8.740 -13.604 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.693 8.229 -13.063 1.00 0.00 H new ATOM 0 HE ARG A 20 11.791 6.289 -14.908 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.208 7.452 -11.575 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.741 5.874 -10.984 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.386 4.255 -14.073 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.840 4.098 -12.373 1.00 0.00 H new ATOM 328 N ILE A 21 7.281 11.375 -14.454 1.00 0.00 N ATOM 329 CA ILE A 21 6.514 12.337 -13.691 1.00 0.00 C ATOM 330 C ILE A 21 6.874 12.075 -12.242 1.00 0.00 C ATOM 331 O ILE A 21 6.911 10.915 -11.843 1.00 0.00 O ATOM 332 CB ILE A 21 4.996 12.153 -13.924 1.00 0.00 C ATOM 333 CG1 ILE A 21 4.515 12.544 -15.338 1.00 0.00 C ATOM 334 CG2 ILE A 21 4.141 12.970 -12.927 1.00 0.00 C ATOM 335 CD1 ILE A 21 5.358 12.102 -16.534 1.00 0.00 C ATOM 0 H ILE A 21 6.861 10.445 -14.445 1.00 0.00 H new ATOM 0 HA ILE A 21 6.743 13.360 -13.989 1.00 0.00 H new ATOM 0 HB ILE A 21 4.857 11.082 -13.780 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.511 12.142 -15.471 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.431 13.630 -15.373 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.084 12.805 -13.134 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.365 12.651 -11.909 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.371 14.030 -13.034 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.893 12.451 -17.456 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.359 12.525 -16.450 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.424 11.014 -16.550 1.00 0.00 H new ATOM 347 N VAL A 22 7.060 13.119 -11.448 1.00 0.00 N ATOM 348 CA VAL A 22 7.185 13.036 -10.010 1.00 0.00 C ATOM 349 C VAL A 22 6.269 14.119 -9.443 1.00 0.00 C ATOM 350 O VAL A 22 6.383 15.283 -9.818 1.00 0.00 O ATOM 351 CB VAL A 22 8.655 13.185 -9.564 1.00 0.00 C ATOM 352 CG1 VAL A 22 8.792 12.911 -8.057 1.00 0.00 C ATOM 353 CG2 VAL A 22 9.604 12.240 -10.316 1.00 0.00 C ATOM 0 H VAL A 22 7.129 14.073 -11.802 1.00 0.00 H new ATOM 0 HA VAL A 22 6.884 12.059 -9.631 1.00 0.00 H new ATOM 0 HB VAL A 22 8.938 14.212 -9.796 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.835 13.021 -7.761 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.180 13.621 -7.501 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.458 11.896 -7.840 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.623 12.390 -9.961 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.305 11.207 -10.138 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.557 12.452 -11.384 1.00 0.00 H new ATOM 363 N LEU A 23 5.357 13.751 -8.550 1.00 0.00 N ATOM 364 CA LEU A 23 4.567 14.705 -7.773 1.00 0.00 C ATOM 365 C LEU A 23 5.326 15.010 -6.483 1.00 0.00 C ATOM 366 O LEU A 23 5.682 14.080 -5.761 1.00 0.00 O ATOM 367 CB LEU A 23 3.202 14.065 -7.447 1.00 0.00 C ATOM 368 CG LEU A 23 2.430 14.676 -6.248 1.00 0.00 C ATOM 369 CD1 LEU A 23 1.915 16.095 -6.493 1.00 0.00 C ATOM 370 CD2 LEU A 23 1.264 13.764 -5.864 1.00 0.00 C ATOM 0 H LEU A 23 5.142 12.776 -8.342 1.00 0.00 H new ATOM 0 HA LEU A 23 4.405 15.627 -8.331 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.570 14.134 -8.333 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.359 13.005 -7.249 1.00 0.00 H new ATOM 0 HG LEU A 23 3.149 14.751 -5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.387 16.449 -5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.756 16.756 -6.702 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.234 16.093 -7.344 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.725 14.198 -5.022 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.588 13.661 -6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.647 12.783 -5.584 1.00 0.00 H new ATOM 382 N GLU A 24 5.503 16.287 -6.156 1.00 0.00 N ATOM 383 CA GLU A 24 5.988 16.766 -4.876 1.00 0.00 C ATOM 384 C GLU A 24 4.775 17.176 -4.043 1.00 0.00 C ATOM 385 O GLU A 24 4.070 18.130 -4.376 1.00 0.00 O ATOM 386 CB GLU A 24 7.001 17.906 -5.086 1.00 0.00 C ATOM 387 CG GLU A 24 8.398 17.472 -4.651 1.00 0.00 C ATOM 388 CD GLU A 24 8.583 17.322 -3.122 1.00 0.00 C ATOM 389 OE1 GLU A 24 7.601 17.053 -2.389 1.00 0.00 O ATOM 390 OE2 GLU A 24 9.739 17.461 -2.653 1.00 0.00 O ATOM 0 H GLU A 24 5.302 17.045 -6.808 1.00 0.00 H new ATOM 0 HA GLU A 24 6.527 15.989 -4.334 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.016 18.197 -6.136 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.693 18.783 -4.516 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.632 16.520 -5.127 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.121 18.199 -5.021 1.00 0.00 H new ATOM 397 N LYS A 25 4.499 16.440 -2.962 1.00 0.00 N ATOM 398 CA LYS A 25 3.260 16.600 -2.188 1.00 0.00 C ATOM 399 C LYS A 25 3.275 17.858 -1.323 1.00 0.00 C ATOM 400 O LYS A 25 2.206 18.350 -0.969 1.00 0.00 O ATOM 401 CB LYS A 25 3.017 15.369 -1.305 1.00 0.00 C ATOM 402 CG LYS A 25 2.688 14.131 -2.146 1.00 0.00 C ATOM 403 CD LYS A 25 2.465 12.917 -1.240 1.00 0.00 C ATOM 404 CE LYS A 25 2.190 11.682 -2.110 1.00 0.00 C ATOM 405 NZ LYS A 25 2.434 10.410 -1.378 1.00 0.00 N ATOM 0 H LYS A 25 5.123 15.720 -2.599 1.00 0.00 H new ATOM 0 HA LYS A 25 2.448 16.702 -2.908 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.902 15.174 -0.699 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.197 15.570 -0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.796 14.316 -2.744 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.502 13.929 -2.842 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.342 12.749 -0.615 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.625 13.098 -0.569 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.157 11.707 -2.456 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.824 11.716 -2.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.418 9.615 -2.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.363 10.451 -0.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.692 10.274 -0.662 1.00 0.00 H new ATOM 419 N ASP A 26 4.459 18.387 -0.998 1.00 0.00 N ATOM 420 CA ASP A 26 4.585 19.545 -0.111 1.00 0.00 C ATOM 421 C ASP A 26 3.884 20.773 -0.700 1.00 0.00 C ATOM 422 O ASP A 26 3.252 21.538 0.034 1.00 0.00 O ATOM 423 CB ASP A 26 6.060 19.866 0.139 1.00 0.00 C ATOM 424 CG ASP A 26 6.205 21.099 1.047 1.00 0.00 C ATOM 425 OD1 ASP A 26 5.941 20.982 2.268 1.00 0.00 O ATOM 426 OD2 ASP A 26 6.605 22.180 0.548 1.00 0.00 O ATOM 0 H ASP A 26 5.350 18.027 -1.340 1.00 0.00 H new ATOM 0 HA ASP A 26 4.105 19.293 0.834 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.550 19.009 0.601 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.563 20.047 -0.811 1.00 0.00 H new ATOM 431 N ALA A 27 3.954 20.923 -2.030 1.00 0.00 N ATOM 432 CA ALA A 27 3.348 22.006 -2.786 1.00 0.00 C ATOM 433 C ALA A 27 2.301 21.519 -3.802 1.00 0.00 C ATOM 434 O ALA A 27 1.659 22.354 -4.444 1.00 0.00 O ATOM 435 CB ALA A 27 4.460 22.803 -3.479 1.00 0.00 C ATOM 0 H ALA A 27 4.456 20.263 -2.623 1.00 0.00 H new ATOM 0 HA ALA A 27 2.805 22.644 -2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.020 23.620 -4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.138 23.209 -2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.013 22.147 -4.151 1.00 0.00 H new ATOM 441 N MET A 28 2.118 20.197 -3.956 1.00 0.00 N ATOM 442 CA MET A 28 1.340 19.587 -5.034 1.00 0.00 C ATOM 443 C MET A 28 1.849 20.102 -6.392 1.00 0.00 C ATOM 444 O MET A 28 1.076 20.361 -7.317 1.00 0.00 O ATOM 445 CB MET A 28 -0.182 19.675 -4.812 1.00 0.00 C ATOM 446 CG MET A 28 -0.606 18.986 -3.508 1.00 0.00 C ATOM 447 SD MET A 28 -2.391 18.684 -3.342 1.00 0.00 S ATOM 448 CE MET A 28 -2.592 17.257 -4.449 1.00 0.00 C ATOM 0 H MET A 28 2.519 19.511 -3.316 1.00 0.00 H new ATOM 0 HA MET A 28 1.507 18.510 -5.032 1.00 0.00 H new ATOM 0 HB2 MET A 28 -0.486 20.721 -4.786 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.700 19.213 -5.653 1.00 0.00 H new ATOM 0 HG2 MET A 28 -0.083 18.033 -3.432 1.00 0.00 H new ATOM 0 HG3 MET A 28 -0.277 19.598 -2.668 1.00 0.00 H new ATOM 0 HE1 MET A 28 -3.490 17.388 -5.052 1.00 0.00 H new ATOM 0 HE2 MET A 28 -1.724 17.179 -5.104 1.00 0.00 H new ATOM 0 HE3 MET A 28 -2.682 16.347 -3.856 1.00 0.00 H new ATOM 458 N ASP A 29 3.174 20.271 -6.489 1.00 0.00 N ATOM 459 CA ASP A 29 3.873 20.658 -7.705 1.00 0.00 C ATOM 460 C ASP A 29 4.295 19.379 -8.413 1.00 0.00 C ATOM 461 O ASP A 29 4.560 18.375 -7.747 1.00 0.00 O ATOM 462 CB ASP A 29 5.086 21.547 -7.392 1.00 0.00 C ATOM 463 CG ASP A 29 5.673 22.215 -8.648 1.00 0.00 C ATOM 464 OD1 ASP A 29 4.970 22.312 -9.680 1.00 0.00 O ATOM 465 OD2 ASP A 29 6.826 22.706 -8.572 1.00 0.00 O ATOM 0 H ASP A 29 3.801 20.136 -5.696 1.00 0.00 H new ATOM 0 HA ASP A 29 3.218 21.248 -8.346 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.792 22.318 -6.679 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.858 20.946 -6.911 1.00 0.00 H new ATOM 470 N VAL A 30 4.341 19.366 -9.740 1.00 0.00 N ATOM 471 CA VAL A 30 4.557 18.136 -10.490 1.00 0.00 C ATOM 472 C VAL A 30 5.676 18.388 -11.493 1.00 0.00 C ATOM 473 O VAL A 30 5.581 19.253 -12.369 1.00 0.00 O ATOM 474 CB VAL A 30 3.239 17.626 -11.107 1.00 0.00 C ATOM 475 CG1 VAL A 30 3.441 16.278 -11.810 1.00 0.00 C ATOM 476 CG2 VAL A 30 2.110 17.471 -10.078 1.00 0.00 C ATOM 0 H VAL A 30 4.231 20.198 -10.320 1.00 0.00 H new ATOM 0 HA VAL A 30 4.879 17.323 -9.839 1.00 0.00 H new ATOM 0 HB VAL A 30 2.944 18.389 -11.827 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.495 15.944 -12.235 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.177 16.390 -12.606 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.795 15.541 -11.089 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.211 17.109 -10.576 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.412 16.758 -9.311 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.905 18.436 -9.615 1.00 0.00 H new ATOM 486 N TRP A 31 6.741 17.612 -11.339 1.00 0.00 N ATOM 487 CA TRP A 31 7.883 17.541 -12.214 1.00 0.00 C ATOM 488 C TRP A 31 7.570 16.556 -13.338 1.00 0.00 C ATOM 489 O TRP A 31 7.085 15.461 -13.056 1.00 0.00 O ATOM 490 CB TRP A 31 9.088 17.048 -11.388 1.00 0.00 C ATOM 491 CG TRP A 31 9.241 17.622 -10.004 1.00 0.00 C ATOM 492 CD1 TRP A 31 8.884 17.024 -8.843 1.00 0.00 C ATOM 493 CD2 TRP A 31 9.813 18.898 -9.605 1.00 0.00 C ATOM 494 NE1 TRP A 31 9.215 17.833 -7.778 1.00 0.00 N ATOM 495 CE2 TRP A 31 9.814 18.998 -8.186 1.00 0.00 C ATOM 496 CE3 TRP A 31 10.343 19.980 -10.320 1.00 0.00 C ATOM 497 CZ2 TRP A 31 10.346 20.105 -7.505 1.00 0.00 C ATOM 498 CZ3 TRP A 31 10.907 21.086 -9.657 1.00 0.00 C ATOM 499 CH2 TRP A 31 10.908 21.152 -8.252 1.00 0.00 C ATOM 0 H TRP A 31 6.826 16.978 -10.545 1.00 0.00 H new ATOM 0 HA TRP A 31 8.113 18.515 -12.647 1.00 0.00 H new ATOM 0 HB2 TRP A 31 9.020 15.964 -11.301 1.00 0.00 H new ATOM 0 HB3 TRP A 31 9.997 17.266 -11.949 1.00 0.00 H new ATOM 0 HD1 TRP A 31 8.410 16.057 -8.764 1.00 0.00 H new ATOM 0 HE1 TRP A 31 9.036 17.594 -6.803 1.00 0.00 H new ATOM 0 HE3 TRP A 31 10.318 19.965 -11.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 10.323 20.150 -6.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 11.342 21.890 -10.232 1.00 0.00 H new ATOM 0 HH2 TRP A 31 11.340 22.005 -7.750 1.00 0.00 H new ATOM 510 N CYS A 32 7.846 16.901 -14.591 1.00 0.00 N ATOM 511 CA CYS A 32 7.826 15.983 -15.719 1.00 0.00 C ATOM 512 C CYS A 32 9.171 16.176 -16.420 1.00 0.00 C ATOM 513 O CYS A 32 9.543 17.306 -16.743 1.00 0.00 O ATOM 514 CB CYS A 32 6.638 16.272 -16.636 1.00 0.00 C ATOM 515 SG CYS A 32 6.648 15.154 -18.066 1.00 0.00 S ATOM 0 H CYS A 32 8.096 17.854 -14.855 1.00 0.00 H new ATOM 0 HA CYS A 32 7.699 14.946 -15.409 1.00 0.00 H new ATOM 0 HB2 CYS A 32 5.707 16.154 -16.082 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.678 17.307 -16.976 1.00 0.00 H new ATOM 0 HG CYS A 32 5.629 15.417 -18.829 1.00 0.00 H new ATOM 521 N ASN A 33 9.907 15.081 -16.629 1.00 0.00 N ATOM 522 CA ASN A 33 11.217 15.078 -17.297 1.00 0.00 C ATOM 523 C ASN A 33 12.188 16.100 -16.669 1.00 0.00 C ATOM 524 O ASN A 33 12.962 16.759 -17.360 1.00 0.00 O ATOM 525 CB ASN A 33 11.027 15.217 -18.823 1.00 0.00 C ATOM 526 CG ASN A 33 12.279 14.838 -19.617 1.00 0.00 C ATOM 527 OD1 ASN A 33 12.950 15.687 -20.200 1.00 0.00 O ATOM 528 ND2 ASN A 33 12.604 13.553 -19.691 1.00 0.00 N ATOM 0 H ASN A 33 9.606 14.152 -16.334 1.00 0.00 H new ATOM 0 HA ASN A 33 11.707 14.118 -17.135 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.197 14.585 -19.140 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.752 16.245 -19.057 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.417 13.263 -20.235 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.041 12.856 -19.204 1.00 0.00 H new ATOM 535 N GLY A 34 12.136 16.244 -15.338 1.00 0.00 N ATOM 536 CA GLY A 34 13.070 17.062 -14.563 1.00 0.00 C ATOM 537 C GLY A 34 12.749 18.562 -14.506 1.00 0.00 C ATOM 538 O GLY A 34 13.509 19.300 -13.877 1.00 0.00 O ATOM 0 H GLY A 34 11.430 15.786 -14.762 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.103 16.677 -13.544 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.068 16.938 -14.983 1.00 0.00 H new ATOM 542 N LYS A 35 11.647 19.033 -15.109 1.00 0.00 N ATOM 543 CA LYS A 35 11.181 20.426 -15.013 1.00 0.00 C ATOM 544 C LYS A 35 9.771 20.417 -14.429 1.00 0.00 C ATOM 545 O LYS A 35 9.035 19.460 -14.668 1.00 0.00 O ATOM 546 CB LYS A 35 11.196 21.094 -16.404 1.00 0.00 C ATOM 547 CG LYS A 35 12.574 21.158 -17.087 1.00 0.00 C ATOM 548 CD LYS A 35 13.594 22.032 -16.337 1.00 0.00 C ATOM 549 CE LYS A 35 14.907 22.099 -17.133 1.00 0.00 C ATOM 550 NZ LYS A 35 15.940 22.929 -16.454 1.00 0.00 N ATOM 0 H LYS A 35 11.044 18.447 -15.687 1.00 0.00 H new ATOM 0 HA LYS A 35 11.843 21.001 -14.366 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.510 20.553 -17.056 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.810 22.109 -16.306 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.972 20.147 -17.178 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.451 21.545 -18.099 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.192 23.035 -16.195 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.780 21.620 -15.345 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.293 21.090 -17.278 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.708 22.509 -18.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.807 22.944 -17.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.585 23.900 -16.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.151 22.524 -15.520 1.00 0.00 H new ATOM 564 N LYS A 36 9.359 21.437 -13.664 1.00 0.00 N ATOM 565 CA LYS A 36 7.963 21.505 -13.231 1.00 0.00 C ATOM 566 C LYS A 36 7.074 21.950 -14.388 1.00 0.00 C ATOM 567 O LYS A 36 7.530 22.674 -15.276 1.00 0.00 O ATOM 568 CB LYS A 36 7.722 22.246 -11.904 1.00 0.00 C ATOM 569 CG LYS A 36 7.557 23.778 -11.934 1.00 0.00 C ATOM 570 CD LYS A 36 8.848 24.589 -11.751 1.00 0.00 C ATOM 571 CE LYS A 36 9.555 24.386 -10.394 1.00 0.00 C ATOM 572 NZ LYS A 36 8.685 24.667 -9.221 1.00 0.00 N ATOM 0 H LYS A 36 9.952 22.202 -13.342 1.00 0.00 H new ATOM 0 HA LYS A 36 7.664 20.492 -12.963 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.826 21.825 -11.448 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.555 22.016 -11.240 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.105 24.058 -12.886 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.855 24.065 -11.151 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.542 24.325 -12.549 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.615 25.647 -11.868 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.915 23.359 -10.331 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.431 25.034 -10.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.276 24.811 -8.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.124 25.524 -9.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.046 23.862 -9.062 1.00 0.00 H new ATOM 586 N LEU A 37 5.813 21.525 -14.364 1.00 0.00 N ATOM 587 CA LEU A 37 4.775 21.923 -15.303 1.00 0.00 C ATOM 588 C LEU A 37 3.619 22.592 -14.560 1.00 0.00 C ATOM 589 O LEU A 37 3.554 22.575 -13.327 1.00 0.00 O ATOM 590 CB LEU A 37 4.355 20.764 -16.224 1.00 0.00 C ATOM 591 CG LEU A 37 3.988 19.445 -15.529 1.00 0.00 C ATOM 592 CD1 LEU A 37 2.698 19.498 -14.709 1.00 0.00 C ATOM 593 CD2 LEU A 37 3.857 18.338 -16.576 1.00 0.00 C ATOM 0 H LEU A 37 5.476 20.868 -13.661 1.00 0.00 H new ATOM 0 HA LEU A 37 5.178 22.674 -15.983 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.499 21.089 -16.816 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.169 20.569 -16.922 1.00 0.00 H new ATOM 0 HG LEU A 37 4.796 19.246 -14.825 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.516 18.524 -14.254 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.794 20.252 -13.927 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.863 19.756 -15.361 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.596 17.401 -16.084 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.077 18.602 -17.289 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.805 18.221 -17.102 1.00 0.00 H new ATOM 605 N GLU A 38 2.730 23.226 -15.322 1.00 0.00 N ATOM 606 CA GLU A 38 1.578 23.944 -14.803 1.00 0.00 C ATOM 607 C GLU A 38 0.519 22.959 -14.299 1.00 0.00 C ATOM 608 O GLU A 38 0.357 21.876 -14.863 1.00 0.00 O ATOM 609 CB GLU A 38 1.017 24.897 -15.871 1.00 0.00 C ATOM 610 CG GLU A 38 0.477 24.181 -17.120 1.00 0.00 C ATOM 611 CD GLU A 38 0.073 25.192 -18.210 1.00 0.00 C ATOM 612 OE1 GLU A 38 -1.084 25.680 -18.193 1.00 0.00 O ATOM 613 OE2 GLU A 38 0.907 25.505 -19.096 1.00 0.00 O ATOM 0 H GLU A 38 2.796 23.253 -16.340 1.00 0.00 H new ATOM 0 HA GLU A 38 1.888 24.552 -13.953 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.217 25.491 -15.430 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.801 25.592 -16.172 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.236 23.504 -17.511 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.385 23.571 -16.849 1.00 0.00 H new ATOM 620 N THR A 39 -0.226 23.349 -13.269 1.00 0.00 N ATOM 621 CA THR A 39 -1.255 22.534 -12.634 1.00 0.00 C ATOM 622 C THR A 39 -2.484 23.395 -12.324 1.00 0.00 C ATOM 623 O THR A 39 -2.373 24.596 -12.049 1.00 0.00 O ATOM 624 CB THR A 39 -0.706 21.849 -11.362 1.00 0.00 C ATOM 625 OG1 THR A 39 0.166 22.701 -10.626 1.00 0.00 O ATOM 626 CG2 THR A 39 0.040 20.556 -11.709 1.00 0.00 C ATOM 0 H THR A 39 -0.127 24.269 -12.841 1.00 0.00 H new ATOM 0 HA THR A 39 -1.557 21.744 -13.322 1.00 0.00 H new ATOM 0 HB THR A 39 -1.572 21.619 -10.742 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.489 22.230 -9.830 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.415 20.096 -10.795 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.640 19.867 -12.210 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.876 20.785 -12.370 1.00 0.00 H new ATOM 634 N ALA A 40 -3.654 22.764 -12.365 1.00 0.00 N ATOM 635 CA ALA A 40 -4.934 23.288 -11.900 1.00 0.00 C ATOM 636 C ALA A 40 -5.450 22.270 -10.886 1.00 0.00 C ATOM 637 O ALA A 40 -5.143 21.088 -11.031 1.00 0.00 O ATOM 638 CB ALA A 40 -5.904 23.460 -13.074 1.00 0.00 C ATOM 0 H ALA A 40 -3.739 21.821 -12.745 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.833 24.274 -11.446 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.853 23.852 -12.708 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.480 24.156 -13.798 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.070 22.495 -13.553 1.00 0.00 H new ATOM 644 N GLY A 41 -6.212 22.685 -9.875 1.00 0.00 N ATOM 645 CA GLY A 41 -6.660 21.805 -8.805 1.00 0.00 C ATOM 646 C GLY A 41 -8.164 21.953 -8.686 1.00 0.00 C ATOM 647 O GLY A 41 -8.646 23.005 -8.254 1.00 0.00 O ATOM 0 H GLY A 41 -6.536 23.647 -9.778 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.394 20.771 -9.023 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.174 22.068 -7.865 1.00 0.00 H new ATOM 651 N GLU A 42 -8.898 20.917 -9.086 1.00 0.00 N ATOM 652 CA GLU A 42 -10.325 20.803 -8.852 1.00 0.00 C ATOM 653 C GLU A 42 -10.568 19.871 -7.670 1.00 0.00 C ATOM 654 O GLU A 42 -9.773 18.967 -7.407 1.00 0.00 O ATOM 655 CB GLU A 42 -11.064 20.327 -10.112 1.00 0.00 C ATOM 656 CG GLU A 42 -11.413 21.538 -10.983 1.00 0.00 C ATOM 657 CD GLU A 42 -12.220 21.153 -12.241 1.00 0.00 C ATOM 658 OE1 GLU A 42 -13.390 20.718 -12.113 1.00 0.00 O ATOM 659 OE2 GLU A 42 -11.710 21.339 -13.375 1.00 0.00 O ATOM 0 H GLU A 42 -8.505 20.122 -9.590 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.726 21.787 -8.611 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.440 19.630 -10.672 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.971 19.791 -9.834 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.987 22.252 -10.392 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.494 22.040 -11.285 1.00 0.00 H new ATOM 666 N PHE A 43 -11.676 20.083 -6.962 1.00 0.00 N ATOM 667 CA PHE A 43 -12.049 19.290 -5.795 1.00 0.00 C ATOM 668 C PHE A 43 -13.441 18.703 -6.014 1.00 0.00 C ATOM 669 O PHE A 43 -14.332 19.384 -6.533 1.00 0.00 O ATOM 670 CB PHE A 43 -11.994 20.150 -4.528 1.00 0.00 C ATOM 671 CG PHE A 43 -12.204 19.368 -3.245 1.00 0.00 C ATOM 672 CD1 PHE A 43 -11.147 18.606 -2.705 1.00 0.00 C ATOM 673 CD2 PHE A 43 -13.453 19.380 -2.595 1.00 0.00 C ATOM 674 CE1 PHE A 43 -11.339 17.863 -1.527 1.00 0.00 C ATOM 675 CE2 PHE A 43 -13.643 18.641 -1.414 1.00 0.00 C ATOM 676 CZ PHE A 43 -12.588 17.882 -0.879 1.00 0.00 C ATOM 0 H PHE A 43 -12.346 20.818 -7.186 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.343 18.470 -5.663 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.027 20.651 -4.482 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -12.754 20.929 -4.596 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.186 18.593 -3.198 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -14.268 19.959 -3.005 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -10.528 17.278 -1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -14.602 18.657 -0.917 1.00 0.00 H new ATOM 0 HZ PHE A 43 -12.736 17.314 0.028 1.00 0.00 H new ATOM 686 N VAL A 44 -13.625 17.454 -5.600 1.00 0.00 N ATOM 687 CA VAL A 44 -14.867 16.714 -5.672 1.00 0.00 C ATOM 688 C VAL A 44 -15.165 16.048 -4.330 1.00 0.00 C ATOM 689 O VAL A 44 -14.294 15.924 -3.468 1.00 0.00 O ATOM 690 CB VAL A 44 -14.799 15.675 -6.813 1.00 0.00 C ATOM 691 CG1 VAL A 44 -15.222 16.321 -8.131 1.00 0.00 C ATOM 692 CG2 VAL A 44 -13.448 14.953 -6.949 1.00 0.00 C ATOM 0 H VAL A 44 -12.870 16.908 -5.185 1.00 0.00 H new ATOM 0 HA VAL A 44 -15.683 17.403 -5.891 1.00 0.00 H new ATOM 0 HB VAL A 44 -15.502 14.886 -6.545 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -15.172 15.582 -8.931 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -16.243 16.692 -8.043 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -14.553 17.151 -8.361 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.496 14.244 -7.775 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.663 15.684 -7.143 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -13.226 14.419 -6.025 1.00 0.00 H new ATOM 702 N ASP A 45 -16.399 15.555 -4.182 1.00 0.00 N ATOM 703 CA ASP A 45 -16.875 14.813 -3.010 1.00 0.00 C ATOM 704 C ASP A 45 -16.353 13.364 -3.037 1.00 0.00 C ATOM 705 O ASP A 45 -17.099 12.386 -2.950 1.00 0.00 O ATOM 706 CB ASP A 45 -18.404 14.914 -2.893 1.00 0.00 C ATOM 707 CG ASP A 45 -18.930 14.250 -1.604 1.00 0.00 C ATOM 708 OD1 ASP A 45 -18.316 14.430 -0.523 1.00 0.00 O ATOM 709 OD2 ASP A 45 -20.003 13.599 -1.653 1.00 0.00 O ATOM 0 H ASP A 45 -17.117 15.665 -4.898 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.470 15.264 -2.104 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -18.700 15.963 -2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -18.866 14.440 -3.759 1.00 0.00 H new ATOM 714 N ASP A 46 -15.048 13.240 -3.270 1.00 0.00 N ATOM 715 CA ASP A 46 -14.296 12.015 -3.514 1.00 0.00 C ATOM 716 C ASP A 46 -12.801 12.246 -3.247 1.00 0.00 C ATOM 717 O ASP A 46 -12.113 11.360 -2.739 1.00 0.00 O ATOM 718 CB ASP A 46 -14.493 11.597 -4.978 1.00 0.00 C ATOM 719 CG ASP A 46 -13.571 10.433 -5.370 1.00 0.00 C ATOM 720 OD1 ASP A 46 -13.860 9.277 -4.977 1.00 0.00 O ATOM 721 OD2 ASP A 46 -12.599 10.673 -6.124 1.00 0.00 O ATOM 0 H ASP A 46 -14.443 14.060 -3.295 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.655 11.232 -2.846 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.532 11.307 -5.136 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.298 12.450 -5.628 1.00 0.00 H new ATOM 726 N GLY A 47 -12.290 13.446 -3.540 1.00 0.00 N ATOM 727 CA GLY A 47 -10.886 13.776 -3.416 1.00 0.00 C ATOM 728 C GLY A 47 -10.575 15.012 -4.248 1.00 0.00 C ATOM 729 O GLY A 47 -11.457 15.826 -4.526 1.00 0.00 O ATOM 0 H GLY A 47 -12.860 14.223 -3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.636 13.957 -2.371 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.274 12.938 -3.750 1.00 0.00 H new ATOM 733 N THR A 48 -9.326 15.129 -4.685 1.00 0.00 N ATOM 734 CA THR A 48 -8.846 16.240 -5.486 1.00 0.00 C ATOM 735 C THR A 48 -8.388 15.680 -6.830 1.00 0.00 C ATOM 736 O THR A 48 -7.926 14.539 -6.912 1.00 0.00 O ATOM 737 CB THR A 48 -7.721 17.003 -4.757 1.00 0.00 C ATOM 738 OG1 THR A 48 -7.924 17.047 -3.349 1.00 0.00 O ATOM 739 CG2 THR A 48 -7.575 18.451 -5.231 1.00 0.00 C ATOM 0 H THR A 48 -8.605 14.436 -4.485 1.00 0.00 H new ATOM 0 HA THR A 48 -9.642 16.966 -5.650 1.00 0.00 H new ATOM 0 HB THR A 48 -6.818 16.442 -4.998 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.188 17.538 -2.928 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.768 18.934 -4.681 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.346 18.464 -6.297 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.507 18.988 -5.054 1.00 0.00 H new ATOM 747 N GLU A 49 -8.494 16.487 -7.874 1.00 0.00 N ATOM 748 CA GLU A 49 -8.020 16.194 -9.210 1.00 0.00 C ATOM 749 C GLU A 49 -7.081 17.336 -9.607 1.00 0.00 C ATOM 750 O GLU A 49 -7.524 18.462 -9.846 1.00 0.00 O ATOM 751 CB GLU A 49 -9.201 16.024 -10.180 1.00 0.00 C ATOM 752 CG GLU A 49 -10.071 14.801 -9.857 1.00 0.00 C ATOM 753 CD GLU A 49 -11.307 14.723 -10.775 1.00 0.00 C ATOM 754 OE1 GLU A 49 -12.253 15.530 -10.604 1.00 0.00 O ATOM 755 OE2 GLU A 49 -11.367 13.818 -11.644 1.00 0.00 O ATOM 0 H GLU A 49 -8.933 17.405 -7.806 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.477 15.250 -9.247 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.820 16.921 -10.151 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.819 15.933 -11.197 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.478 13.893 -9.967 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.393 14.848 -8.817 1.00 0.00 H new ATOM 762 N THR A 50 -5.774 17.067 -9.632 1.00 0.00 N ATOM 763 CA THR A 50 -4.777 18.028 -10.095 1.00 0.00 C ATOM 764 C THR A 50 -4.588 17.788 -11.589 1.00 0.00 C ATOM 765 O THR A 50 -3.981 16.784 -11.947 1.00 0.00 O ATOM 766 CB THR A 50 -3.477 17.873 -9.286 1.00 0.00 C ATOM 767 OG1 THR A 50 -3.707 18.228 -7.930 1.00 0.00 O ATOM 768 CG2 THR A 50 -2.321 18.718 -9.835 1.00 0.00 C ATOM 0 H THR A 50 -5.379 16.176 -9.331 1.00 0.00 H new ATOM 0 HA THR A 50 -5.098 19.058 -9.941 1.00 0.00 H new ATOM 0 HB THR A 50 -3.184 16.826 -9.368 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.851 18.281 -7.456 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.434 18.564 -9.221 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.108 18.420 -10.861 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.599 19.772 -9.814 1.00 0.00 H new ATOM 776 N HIS A 51 -5.103 18.666 -12.447 1.00 0.00 N ATOM 777 CA HIS A 51 -5.102 18.511 -13.901 1.00 0.00 C ATOM 778 C HIS A 51 -3.864 19.170 -14.509 1.00 0.00 C ATOM 779 O HIS A 51 -3.417 20.211 -14.016 1.00 0.00 O ATOM 780 CB HIS A 51 -6.376 19.120 -14.506 1.00 0.00 C ATOM 781 CG HIS A 51 -7.646 18.389 -14.149 1.00 0.00 C ATOM 782 ND1 HIS A 51 -8.237 17.379 -14.879 1.00 0.00 N ATOM 783 CD2 HIS A 51 -8.462 18.637 -13.075 1.00 0.00 C ATOM 784 CE1 HIS A 51 -9.372 17.020 -14.251 1.00 0.00 C ATOM 785 NE2 HIS A 51 -9.557 17.764 -13.145 1.00 0.00 N ATOM 0 H HIS A 51 -5.546 19.532 -12.141 1.00 0.00 H new ATOM 0 HA HIS A 51 -5.079 17.446 -14.132 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -6.462 20.155 -14.175 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.275 19.139 -15.591 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -8.291 19.377 -12.307 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -10.042 16.243 -14.588 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -10.337 17.705 -12.490 1.00 0.00 H new ATOM 793 N PHE A 52 -3.340 18.580 -15.588 1.00 0.00 N ATOM 794 CA PHE A 52 -2.275 19.115 -16.433 1.00 0.00 C ATOM 795 C PHE A 52 -2.336 18.407 -17.800 1.00 0.00 C ATOM 796 O PHE A 52 -3.302 17.703 -18.102 1.00 0.00 O ATOM 797 CB PHE A 52 -0.910 18.973 -15.730 1.00 0.00 C ATOM 798 CG PHE A 52 -0.550 17.621 -15.144 1.00 0.00 C ATOM 799 CD1 PHE A 52 -1.036 17.278 -13.867 1.00 0.00 C ATOM 800 CD2 PHE A 52 0.329 16.746 -15.812 1.00 0.00 C ATOM 801 CE1 PHE A 52 -0.653 16.077 -13.257 1.00 0.00 C ATOM 802 CE2 PHE A 52 0.714 15.540 -15.194 1.00 0.00 C ATOM 803 CZ PHE A 52 0.235 15.212 -13.916 1.00 0.00 C ATOM 0 H PHE A 52 -3.666 17.669 -15.910 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.411 20.183 -16.604 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.135 19.244 -16.447 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.870 19.707 -14.925 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.710 17.948 -13.354 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.706 16.998 -16.792 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.040 15.817 -12.283 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.382 14.864 -15.707 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.549 14.295 -13.440 1.00 0.00 H new ATOM 813 N SER A 53 -1.330 18.590 -18.652 1.00 0.00 N ATOM 814 CA SER A 53 -1.248 17.979 -19.975 1.00 0.00 C ATOM 815 C SER A 53 0.221 17.765 -20.355 1.00 0.00 C ATOM 816 O SER A 53 1.098 18.519 -19.919 1.00 0.00 O ATOM 817 CB SER A 53 -2.007 18.828 -21.011 1.00 0.00 C ATOM 818 OG SER A 53 -1.753 20.222 -20.863 1.00 0.00 O ATOM 0 H SER A 53 -0.529 19.183 -18.435 1.00 0.00 H new ATOM 0 HA SER A 53 -1.730 17.002 -19.958 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.720 18.514 -22.014 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.077 18.644 -20.913 1.00 0.00 H new ATOM 0 HG SER A 53 -2.254 20.720 -21.542 1.00 0.00 H new ATOM 824 N ILE A 54 0.487 16.709 -21.127 1.00 0.00 N ATOM 825 CA ILE A 54 1.812 16.291 -21.577 1.00 0.00 C ATOM 826 C ILE A 54 1.604 15.824 -23.022 1.00 0.00 C ATOM 827 O ILE A 54 0.680 15.053 -23.290 1.00 0.00 O ATOM 828 CB ILE A 54 2.388 15.178 -20.660 1.00 0.00 C ATOM 829 CG1 ILE A 54 2.545 15.684 -19.204 1.00 0.00 C ATOM 830 CG2 ILE A 54 3.751 14.675 -21.178 1.00 0.00 C ATOM 831 CD1 ILE A 54 2.929 14.613 -18.183 1.00 0.00 C ATOM 0 H ILE A 54 -0.252 16.095 -21.470 1.00 0.00 H new ATOM 0 HA ILE A 54 2.547 17.095 -21.529 1.00 0.00 H new ATOM 0 HB ILE A 54 1.679 14.350 -20.675 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.303 16.468 -19.188 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.606 16.142 -18.892 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.128 13.897 -20.514 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.631 14.269 -22.182 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.459 15.504 -21.204 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.014 15.066 -17.195 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.162 13.839 -18.162 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.885 14.170 -18.463 1.00 0.00 H new ATOM 843 N GLY A 55 2.432 16.299 -23.954 1.00 0.00 N ATOM 844 CA GLY A 55 2.230 16.034 -25.373 1.00 0.00 C ATOM 845 C GLY A 55 0.835 16.507 -25.789 1.00 0.00 C ATOM 846 O GLY A 55 0.413 17.606 -25.411 1.00 0.00 O ATOM 0 H GLY A 55 3.251 16.871 -23.747 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.990 16.548 -25.961 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.339 14.968 -25.574 1.00 0.00 H new ATOM 850 N ASN A 56 0.106 15.665 -26.529 1.00 0.00 N ATOM 851 CA ASN A 56 -1.281 15.910 -26.931 1.00 0.00 C ATOM 852 C ASN A 56 -2.276 15.147 -26.035 1.00 0.00 C ATOM 853 O ASN A 56 -3.343 14.732 -26.499 1.00 0.00 O ATOM 854 CB ASN A 56 -1.454 15.604 -28.431 1.00 0.00 C ATOM 855 CG ASN A 56 -2.775 16.133 -29.000 1.00 0.00 C ATOM 856 OD1 ASN A 56 -3.346 17.112 -28.517 1.00 0.00 O ATOM 857 ND2 ASN A 56 -3.271 15.528 -30.071 1.00 0.00 N ATOM 0 H ASN A 56 0.472 14.777 -26.872 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.513 16.965 -26.787 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.624 16.044 -28.984 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.404 14.526 -28.585 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.130 15.873 -30.500 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.793 14.718 -30.466 1.00 0.00 H new ATOM 864 N HIS A 57 -1.919 14.896 -24.767 1.00 0.00 N ATOM 865 CA HIS A 57 -2.728 14.143 -23.812 1.00 0.00 C ATOM 866 C HIS A 57 -2.964 14.997 -22.568 1.00 0.00 C ATOM 867 O HIS A 57 -2.063 15.715 -22.126 1.00 0.00 O ATOM 868 CB HIS A 57 -2.029 12.830 -23.416 1.00 0.00 C ATOM 869 CG HIS A 57 -1.654 11.925 -24.565 1.00 0.00 C ATOM 870 ND1 HIS A 57 -2.267 10.743 -24.917 1.00 0.00 N ATOM 871 CD2 HIS A 57 -0.576 12.079 -25.396 1.00 0.00 C ATOM 872 CE1 HIS A 57 -1.578 10.208 -25.941 1.00 0.00 C ATOM 873 NE2 HIS A 57 -0.538 10.993 -26.279 1.00 0.00 N ATOM 0 H HIS A 57 -1.036 15.222 -24.373 1.00 0.00 H new ATOM 0 HA HIS A 57 -3.681 13.895 -24.279 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.125 13.073 -22.857 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.683 12.279 -22.740 1.00 0.00 H new ATOM 0 HD2 HIS A 57 0.126 12.899 -25.374 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.826 9.275 -26.426 1.00 0.00 H new ATOM 0 HE2 HIS A 57 0.138 10.830 -27.025 1.00 0.00 H new ATOM 881 N ASP A 58 -4.155 14.906 -21.974 1.00 0.00 N ATOM 882 CA ASP A 58 -4.418 15.495 -20.662 1.00 0.00 C ATOM 883 C ASP A 58 -4.133 14.442 -19.593 1.00 0.00 C ATOM 884 O ASP A 58 -4.271 13.236 -19.830 1.00 0.00 O ATOM 885 CB ASP A 58 -5.818 16.094 -20.523 1.00 0.00 C ATOM 886 CG ASP A 58 -6.853 15.071 -20.019 1.00 0.00 C ATOM 887 OD1 ASP A 58 -7.414 14.322 -20.855 1.00 0.00 O ATOM 888 OD2 ASP A 58 -7.134 15.045 -18.797 1.00 0.00 O ATOM 0 H ASP A 58 -4.956 14.427 -22.385 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.750 16.347 -20.532 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.781 16.938 -19.834 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.139 16.485 -21.488 1.00 0.00 H new ATOM 893 N CYS A 59 -3.719 14.907 -18.421 1.00 0.00 N ATOM 894 CA CYS A 59 -3.362 14.084 -17.287 1.00 0.00 C ATOM 895 C CYS A 59 -4.002 14.685 -16.049 1.00 0.00 C ATOM 896 O CYS A 59 -4.178 15.903 -15.980 1.00 0.00 O ATOM 897 CB CYS A 59 -1.841 14.077 -17.065 1.00 0.00 C ATOM 898 SG CYS A 59 -0.895 13.987 -18.612 1.00 0.00 S ATOM 0 H CYS A 59 -3.621 15.905 -18.234 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.702 13.065 -17.473 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.555 14.979 -16.523 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.576 13.228 -16.434 1.00 0.00 H new ATOM 0 HG CYS A 59 0.124 13.196 -18.452 1.00 0.00 H new ATOM 904 N TYR A 60 -4.299 13.866 -15.048 1.00 0.00 N ATOM 905 CA TYR A 60 -4.677 14.387 -13.756 1.00 0.00 C ATOM 906 C TYR A 60 -4.191 13.454 -12.667 1.00 0.00 C ATOM 907 O TYR A 60 -4.229 12.238 -12.829 1.00 0.00 O ATOM 908 CB TYR A 60 -6.174 14.711 -13.675 1.00 0.00 C ATOM 909 CG TYR A 60 -7.155 13.552 -13.728 1.00 0.00 C ATOM 910 CD1 TYR A 60 -7.328 12.714 -12.608 1.00 0.00 C ATOM 911 CD2 TYR A 60 -7.954 13.359 -14.869 1.00 0.00 C ATOM 912 CE1 TYR A 60 -8.287 11.688 -12.634 1.00 0.00 C ATOM 913 CE2 TYR A 60 -8.959 12.374 -14.879 1.00 0.00 C ATOM 914 CZ TYR A 60 -9.136 11.536 -13.752 1.00 0.00 C ATOM 915 OH TYR A 60 -10.080 10.548 -13.750 1.00 0.00 O ATOM 0 H TYR A 60 -4.284 12.848 -15.112 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.184 15.347 -13.602 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.349 15.255 -12.747 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.414 15.390 -14.493 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.721 12.861 -11.727 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.795 13.971 -15.744 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.375 11.013 -11.796 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.594 12.258 -15.745 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.584 10.575 -14.590 1.00 0.00 H new ATOM 925 N ILE A 61 -3.729 14.003 -11.549 1.00 0.00 N ATOM 926 CA ILE A 61 -3.453 13.201 -10.370 1.00 0.00 C ATOM 927 C ILE A 61 -4.773 13.156 -9.618 1.00 0.00 C ATOM 928 O ILE A 61 -5.301 14.205 -9.244 1.00 0.00 O ATOM 929 CB ILE A 61 -2.282 13.772 -9.554 1.00 0.00 C ATOM 930 CG1 ILE A 61 -0.964 13.605 -10.344 1.00 0.00 C ATOM 931 CG2 ILE A 61 -2.156 13.092 -8.177 1.00 0.00 C ATOM 932 CD1 ILE A 61 0.105 14.603 -9.895 1.00 0.00 C ATOM 0 H ILE A 61 -3.539 14.999 -11.438 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.118 12.192 -10.611 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.480 14.830 -9.384 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.589 12.590 -10.213 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.160 13.738 -11.408 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.317 13.525 -7.633 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.074 13.246 -7.610 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.988 12.024 -8.313 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.014 14.449 -10.477 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.258 15.619 -10.050 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.322 14.453 -8.837 1.00 0.00 H new ATOM 944 N LYS A 62 -5.303 11.955 -9.404 1.00 0.00 N ATOM 945 CA LYS A 62 -6.445 11.722 -8.537 1.00 0.00 C ATOM 946 C LYS A 62 -5.848 11.535 -7.154 1.00 0.00 C ATOM 947 O LYS A 62 -5.081 10.594 -6.950 1.00 0.00 O ATOM 948 CB LYS A 62 -7.231 10.497 -9.044 1.00 0.00 C ATOM 949 CG LYS A 62 -8.743 10.627 -8.801 1.00 0.00 C ATOM 950 CD LYS A 62 -9.489 9.406 -9.367 1.00 0.00 C ATOM 951 CE LYS A 62 -11.000 9.556 -9.114 1.00 0.00 C ATOM 952 NZ LYS A 62 -11.786 8.412 -9.656 1.00 0.00 N ATOM 0 H LYS A 62 -4.942 11.105 -9.837 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.167 12.539 -8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.047 10.367 -10.111 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.862 9.601 -8.546 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.939 10.716 -7.732 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.115 11.537 -9.271 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.297 9.314 -10.436 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.121 8.494 -8.898 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.179 9.640 -8.042 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.351 10.482 -9.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.796 8.561 -9.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.639 8.345 -10.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.472 7.530 -9.204 1.00 0.00 H new ATOM 966 N ALA A 63 -6.142 12.445 -6.235 1.00 0.00 N ATOM 967 CA ALA A 63 -5.744 12.365 -4.849 1.00 0.00 C ATOM 968 C ALA A 63 -7.025 12.043 -4.088 1.00 0.00 C ATOM 969 O ALA A 63 -7.802 12.940 -3.769 1.00 0.00 O ATOM 970 CB ALA A 63 -5.090 13.681 -4.434 1.00 0.00 C ATOM 0 H ALA A 63 -6.682 13.284 -6.448 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.997 11.598 -4.644 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.789 13.624 -3.388 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.213 13.863 -5.055 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.801 14.497 -4.562 1.00 0.00 H new ATOM 976 N VAL A 64 -7.293 10.761 -3.885 1.00 0.00 N ATOM 977 CA VAL A 64 -8.552 10.243 -3.385 1.00 0.00 C ATOM 978 C VAL A 64 -8.521 10.226 -1.863 1.00 0.00 C ATOM 979 O VAL A 64 -7.628 9.599 -1.296 1.00 0.00 O ATOM 980 CB VAL A 64 -8.812 8.814 -3.925 1.00 0.00 C ATOM 981 CG1 VAL A 64 -10.319 8.567 -4.017 1.00 0.00 C ATOM 982 CG2 VAL A 64 -8.174 8.515 -5.292 1.00 0.00 C ATOM 0 H VAL A 64 -6.610 10.027 -4.072 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.360 10.889 -3.729 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.334 8.142 -3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.500 7.562 -4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.765 8.667 -3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.767 9.296 -4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.410 7.493 -5.588 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -8.567 9.208 -6.036 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.093 8.632 -5.222 1.00 0.00 H new ATOM 992 N SER A 65 -9.494 10.830 -1.190 1.00 0.00 N ATOM 993 CA SER A 65 -9.621 10.825 0.264 1.00 0.00 C ATOM 994 C SER A 65 -10.281 9.520 0.753 1.00 0.00 C ATOM 995 O SER A 65 -11.273 9.542 1.489 1.00 0.00 O ATOM 996 CB SER A 65 -10.347 12.100 0.721 1.00 0.00 C ATOM 997 OG SER A 65 -9.753 13.253 0.130 1.00 0.00 O ATOM 0 H SER A 65 -10.238 11.352 -1.654 1.00 0.00 H new ATOM 0 HA SER A 65 -8.634 10.841 0.727 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.400 12.044 0.445 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.306 12.179 1.807 1.00 0.00 H new ATOM 0 HG SER A 65 -10.228 14.056 0.430 1.00 0.00 H new ATOM 1003 N SER A 66 -9.760 8.380 0.295 1.00 0.00 N ATOM 1004 CA SER A 66 -10.276 7.052 0.589 1.00 0.00 C ATOM 1005 C SER A 66 -10.084 6.680 2.069 1.00 0.00 C ATOM 1006 O SER A 66 -9.215 7.222 2.758 1.00 0.00 O ATOM 1007 CB SER A 66 -9.582 6.035 -0.329 1.00 0.00 C ATOM 1008 OG SER A 66 -9.793 6.369 -1.694 1.00 0.00 O ATOM 0 H SER A 66 -8.940 8.361 -0.311 1.00 0.00 H new ATOM 0 HA SER A 66 -11.350 7.042 0.402 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.513 6.014 -0.115 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.967 5.035 -0.130 1.00 0.00 H new ATOM 0 HG SER A 66 -9.343 5.712 -2.265 1.00 0.00 H new ATOM 1014 N GLY A 67 -10.871 5.704 2.541 1.00 0.00 N ATOM 1015 CA GLY A 67 -10.753 5.131 3.878 1.00 0.00 C ATOM 1016 C GLY A 67 -11.290 6.062 4.970 1.00 0.00 C ATOM 1017 O GLY A 67 -12.046 7.005 4.702 1.00 0.00 O ATOM 0 H GLY A 67 -11.620 5.286 1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -11.295 4.186 3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.706 4.905 4.081 1.00 0.00 H new ATOM 1021 N LYS A 68 -10.922 5.763 6.220 1.00 0.00 N ATOM 1022 CA LYS A 68 -11.307 6.547 7.397 1.00 0.00 C ATOM 1023 C LYS A 68 -10.677 7.942 7.311 1.00 0.00 C ATOM 1024 O LYS A 68 -9.615 8.108 6.707 1.00 0.00 O ATOM 1025 CB LYS A 68 -10.910 5.762 8.668 1.00 0.00 C ATOM 1026 CG LYS A 68 -11.393 6.407 9.981 1.00 0.00 C ATOM 1027 CD LYS A 68 -11.087 5.559 11.226 1.00 0.00 C ATOM 1028 CE LYS A 68 -11.917 4.262 11.272 1.00 0.00 C ATOM 1029 NZ LYS A 68 -11.669 3.485 12.515 1.00 0.00 N ATOM 0 H LYS A 68 -10.339 4.957 6.445 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.385 6.701 7.440 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.316 4.753 8.601 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.825 5.668 8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.923 7.384 10.092 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.468 6.575 9.920 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.026 5.309 11.240 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.288 6.147 12.121 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.977 4.507 11.203 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.676 3.646 10.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.247 2.621 12.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.663 3.228 12.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.924 4.062 13.342 1.00 0.00 H new ATOM 1043 N ARG A 69 -11.295 8.940 7.950 1.00 0.00 N ATOM 1044 CA ARG A 69 -10.811 10.324 7.969 1.00 0.00 C ATOM 1045 C ARG A 69 -9.584 10.408 8.891 1.00 0.00 C ATOM 1046 O ARG A 69 -9.695 10.749 10.068 1.00 0.00 O ATOM 1047 CB ARG A 69 -11.989 11.259 8.346 1.00 0.00 C ATOM 1048 CG ARG A 69 -11.850 12.716 7.862 1.00 0.00 C ATOM 1049 CD ARG A 69 -10.715 13.526 8.501 1.00 0.00 C ATOM 1050 NE ARG A 69 -10.915 13.734 9.946 1.00 0.00 N ATOM 1051 CZ ARG A 69 -9.955 14.047 10.830 1.00 0.00 C ATOM 1052 NH1 ARG A 69 -8.695 14.221 10.440 1.00 0.00 N ATOM 1053 NH2 ARG A 69 -10.265 14.199 12.117 1.00 0.00 N ATOM 0 H ARG A 69 -12.158 8.807 8.476 1.00 0.00 H new ATOM 0 HA ARG A 69 -10.467 10.661 6.991 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.909 10.842 7.935 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.097 11.262 9.431 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -11.702 12.708 6.782 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.791 13.233 8.051 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.769 13.010 8.339 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.639 14.494 8.005 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.864 13.631 10.305 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.447 14.117 9.456 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.977 14.459 11.125 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.229 14.077 12.427 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.538 14.437 12.792 1.00 0.00 H new ATOM 1067 N LYS A 70 -8.413 10.058 8.348 1.00 0.00 N ATOM 1068 CA LYS A 70 -7.100 10.147 9.007 1.00 0.00 C ATOM 1069 C LYS A 70 -6.006 10.611 8.034 1.00 0.00 C ATOM 1070 O LYS A 70 -4.824 10.331 8.234 1.00 0.00 O ATOM 1071 CB LYS A 70 -6.775 8.822 9.730 1.00 0.00 C ATOM 1072 CG LYS A 70 -6.956 7.516 8.931 1.00 0.00 C ATOM 1073 CD LYS A 70 -6.210 7.446 7.584 1.00 0.00 C ATOM 1074 CE LYS A 70 -6.375 6.071 6.906 1.00 0.00 C ATOM 1075 NZ LYS A 70 -5.611 4.983 7.582 1.00 0.00 N ATOM 0 H LYS A 70 -8.349 9.690 7.399 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.138 10.919 9.775 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.740 8.869 10.070 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.401 8.762 10.621 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.625 6.683 9.552 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.020 7.371 8.744 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.585 8.225 6.920 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.151 7.647 7.745 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.432 5.807 6.890 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.049 6.144 5.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.764 4.086 7.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.597 5.215 7.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.938 4.888 8.565 1.00 0.00 H new ATOM 1089 N GLU A 71 -6.413 11.278 6.951 1.00 0.00 N ATOM 1090 CA GLU A 71 -5.566 11.733 5.851 1.00 0.00 C ATOM 1091 C GLU A 71 -4.742 10.592 5.227 1.00 0.00 C ATOM 1092 O GLU A 71 -3.518 10.672 5.096 1.00 0.00 O ATOM 1093 CB GLU A 71 -4.745 12.986 6.235 1.00 0.00 C ATOM 1094 CG GLU A 71 -5.587 14.231 6.553 1.00 0.00 C ATOM 1095 CD GLU A 71 -6.307 14.161 7.913 1.00 0.00 C ATOM 1096 OE1 GLU A 71 -5.652 14.326 8.970 1.00 0.00 O ATOM 1097 OE2 GLU A 71 -7.542 13.957 7.931 1.00 0.00 O ATOM 0 H GLU A 71 -7.393 11.527 6.813 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.223 12.061 5.046 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.129 12.749 7.103 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.065 13.223 5.417 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.941 15.109 6.539 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.329 14.368 5.766 1.00 0.00 H new ATOM 1104 N GLY A 72 -5.436 9.528 4.805 1.00 0.00 N ATOM 1105 CA GLY A 72 -4.871 8.420 4.032 1.00 0.00 C ATOM 1106 C GLY A 72 -5.158 8.609 2.543 1.00 0.00 C ATOM 1107 O GLY A 72 -5.761 7.734 1.920 1.00 0.00 O ATOM 0 H GLY A 72 -6.431 9.413 4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.795 8.364 4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.295 7.476 4.374 1.00 0.00 H new ATOM 1111 N ILE A 73 -4.814 9.776 1.993 1.00 0.00 N ATOM 1112 CA ILE A 73 -5.163 10.151 0.623 1.00 0.00 C ATOM 1113 C ILE A 73 -4.340 9.242 -0.313 1.00 0.00 C ATOM 1114 O ILE A 73 -3.114 9.159 -0.173 1.00 0.00 O ATOM 1115 CB ILE A 73 -4.930 11.666 0.385 1.00 0.00 C ATOM 1116 CG1 ILE A 73 -5.936 12.598 1.108 1.00 0.00 C ATOM 1117 CG2 ILE A 73 -5.056 12.031 -1.102 1.00 0.00 C ATOM 1118 CD1 ILE A 73 -5.953 12.525 2.624 1.00 0.00 C ATOM 0 H ILE A 73 -4.282 10.491 2.490 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.223 10.000 0.420 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.927 11.823 0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.719 13.626 0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.937 12.369 0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.886 13.100 -1.230 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.316 11.475 -1.677 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.055 11.777 -1.456 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.696 13.221 3.013 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.206 11.512 2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.969 12.789 3.012 1.00 0.00 H new ATOM 1130 N ILE A 74 -4.994 8.592 -1.279 1.00 0.00 N ATOM 1131 CA ILE A 74 -4.357 7.736 -2.274 1.00 0.00 C ATOM 1132 C ILE A 74 -4.027 8.640 -3.454 1.00 0.00 C ATOM 1133 O ILE A 74 -4.927 9.296 -3.969 1.00 0.00 O ATOM 1134 CB ILE A 74 -5.299 6.567 -2.655 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -5.688 5.710 -1.429 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -4.702 5.684 -3.768 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -4.529 4.998 -0.717 1.00 0.00 C ATOM 0 H ILE A 74 -6.006 8.650 -1.391 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.446 7.268 -1.901 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.210 7.023 -3.043 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.194 6.351 -0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.410 4.958 -1.749 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.396 4.877 -4.004 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.532 6.288 -4.659 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.756 5.262 -3.429 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.916 4.427 0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.033 4.323 -1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.814 5.738 -0.357 1.00 0.00 H new ATOM 1149 N HIS A 75 -2.770 8.683 -3.898 1.00 0.00 N ATOM 1150 CA HIS A 75 -2.380 9.463 -5.067 1.00 0.00 C ATOM 1151 C HIS A 75 -2.191 8.511 -6.249 1.00 0.00 C ATOM 1152 O HIS A 75 -1.419 7.554 -6.149 1.00 0.00 O ATOM 1153 CB HIS A 75 -1.117 10.285 -4.766 1.00 0.00 C ATOM 1154 CG HIS A 75 -1.362 11.405 -3.784 1.00 0.00 C ATOM 1155 ND1 HIS A 75 -1.426 11.307 -2.409 1.00 0.00 N ATOM 1156 CD2 HIS A 75 -1.579 12.717 -4.100 1.00 0.00 C ATOM 1157 CE1 HIS A 75 -1.662 12.537 -1.918 1.00 0.00 C ATOM 1158 NE2 HIS A 75 -1.763 13.435 -2.913 1.00 0.00 N ATOM 0 H HIS A 75 -1.999 8.180 -3.458 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.160 10.179 -5.325 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -0.346 9.624 -4.370 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -0.732 10.703 -5.696 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.604 13.130 -5.098 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -1.757 12.771 -0.868 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -1.938 14.436 -2.822 1.00 0.00 H new ATOM 1166 N THR A 76 -2.855 8.801 -7.369 1.00 0.00 N ATOM 1167 CA THR A 76 -2.737 8.052 -8.612 1.00 0.00 C ATOM 1168 C THR A 76 -2.598 9.040 -9.759 1.00 0.00 C ATOM 1169 O THR A 76 -3.240 10.084 -9.722 1.00 0.00 O ATOM 1170 CB THR A 76 -3.973 7.160 -8.845 1.00 0.00 C ATOM 1171 OG1 THR A 76 -4.425 6.554 -7.642 1.00 0.00 O ATOM 1172 CG2 THR A 76 -3.655 6.058 -9.854 1.00 0.00 C ATOM 0 H THR A 76 -3.505 9.584 -7.434 1.00 0.00 H new ATOM 0 HA THR A 76 -1.862 7.404 -8.555 1.00 0.00 H new ATOM 0 HB THR A 76 -4.761 7.808 -9.229 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.210 5.998 -7.830 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.539 5.438 -10.006 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.359 6.507 -10.802 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.840 5.441 -9.475 1.00 0.00 H new ATOM 1180 N LEU A 77 -1.821 8.715 -10.790 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.804 9.490 -12.020 1.00 0.00 C ATOM 1182 C LEU A 77 -2.789 8.842 -12.982 1.00 0.00 C ATOM 1183 O LEU A 77 -2.745 7.633 -13.185 1.00 0.00 O ATOM 1184 CB LEU A 77 -0.382 9.539 -12.593 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.284 10.260 -13.945 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -0.630 11.743 -13.810 1.00 0.00 C ATOM 1187 CD2 LEU A 77 1.137 10.133 -14.492 1.00 0.00 C ATOM 0 H LEU A 77 -1.191 7.913 -10.793 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.103 10.523 -11.842 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.271 10.038 -11.877 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.011 8.521 -12.707 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.997 9.795 -14.626 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.551 12.225 -14.784 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.648 11.846 -13.435 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.063 12.216 -13.114 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.205 10.645 -15.452 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.839 10.583 -13.790 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.383 9.079 -14.625 1.00 0.00 H new ATOM 1199 N ILE A 78 -3.672 9.629 -13.572 1.00 0.00 N ATOM 1200 CA ILE A 78 -4.537 9.248 -14.666 1.00 0.00 C ATOM 1201 C ILE A 78 -4.018 10.031 -15.877 1.00 0.00 C ATOM 1202 O ILE A 78 -3.635 11.195 -15.744 1.00 0.00 O ATOM 1203 CB ILE A 78 -6.014 9.551 -14.316 1.00 0.00 C ATOM 1204 CG1 ILE A 78 -6.694 8.437 -13.492 1.00 0.00 C ATOM 1205 CG2 ILE A 78 -6.863 9.793 -15.569 1.00 0.00 C ATOM 1206 CD1 ILE A 78 -6.074 8.226 -12.117 1.00 0.00 C ATOM 0 H ILE A 78 -3.809 10.598 -13.284 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.518 8.179 -14.878 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.966 10.455 -13.709 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.750 8.680 -13.371 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.644 7.502 -14.051 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.892 10.002 -15.276 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.463 10.644 -16.121 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.839 8.906 -16.202 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.604 7.428 -11.597 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.025 7.951 -12.229 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.148 9.147 -11.539 1.00 0.00 H new ATOM 1218 N VAL A 79 -4.030 9.423 -17.061 1.00 0.00 N ATOM 1219 CA VAL A 79 -3.735 10.070 -18.330 1.00 0.00 C ATOM 1220 C VAL A 79 -4.764 9.604 -19.348 1.00 0.00 C ATOM 1221 O VAL A 79 -5.059 8.410 -19.425 1.00 0.00 O ATOM 1222 CB VAL A 79 -2.291 9.778 -18.771 1.00 0.00 C ATOM 1223 CG1 VAL A 79 -1.914 10.494 -20.077 1.00 0.00 C ATOM 1224 CG2 VAL A 79 -1.310 10.205 -17.677 1.00 0.00 C ATOM 0 H VAL A 79 -4.253 8.433 -17.163 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.804 11.154 -18.233 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.231 8.704 -18.945 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.884 10.252 -20.341 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.579 10.167 -20.876 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.010 11.571 -19.942 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.291 9.994 -18.000 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.417 11.273 -17.489 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.523 9.653 -16.762 1.00 0.00 H new ATOM 1234 N ASP A 80 -5.329 10.552 -20.099 1.00 0.00 N ATOM 1235 CA ASP A 80 -6.384 10.330 -21.092 1.00 0.00 C ATOM 1236 C ASP A 80 -7.495 9.412 -20.546 1.00 0.00 C ATOM 1237 O ASP A 80 -7.968 8.488 -21.209 1.00 0.00 O ATOM 1238 CB ASP A 80 -5.778 9.904 -22.439 1.00 0.00 C ATOM 1239 CG ASP A 80 -6.801 9.925 -23.594 1.00 0.00 C ATOM 1240 OD1 ASP A 80 -7.729 10.767 -23.600 1.00 0.00 O ATOM 1241 OD2 ASP A 80 -6.634 9.115 -24.541 1.00 0.00 O ATOM 0 H ASP A 80 -5.055 11.532 -20.030 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.896 11.270 -21.295 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.948 10.567 -22.684 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.366 8.899 -22.344 1.00 0.00 H new ATOM 1246 N ASN A 81 -7.865 9.660 -19.280 1.00 0.00 N ATOM 1247 CA ASN A 81 -8.879 8.951 -18.491 1.00 0.00 C ATOM 1248 C ASN A 81 -8.583 7.468 -18.178 1.00 0.00 C ATOM 1249 O ASN A 81 -9.498 6.732 -17.804 1.00 0.00 O ATOM 1250 CB ASN A 81 -10.290 9.197 -19.065 1.00 0.00 C ATOM 1251 CG ASN A 81 -11.400 8.933 -18.043 1.00 0.00 C ATOM 1252 OD1 ASN A 81 -11.253 9.201 -16.852 1.00 0.00 O ATOM 1253 ND2 ASN A 81 -12.555 8.453 -18.486 1.00 0.00 N ATOM 0 H ASN A 81 -7.432 10.414 -18.746 1.00 0.00 H new ATOM 0 HA ASN A 81 -8.834 9.397 -17.498 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.361 10.227 -19.414 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.441 8.555 -19.933 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -13.328 8.304 -17.837 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -12.670 8.233 -19.475 1.00 0.00 H new ATOM 1260 N ARG A 82 -7.331 7.001 -18.301 1.00 0.00 N ATOM 1261 CA ARG A 82 -6.880 5.692 -17.825 1.00 0.00 C ATOM 1262 C ARG A 82 -5.837 5.836 -16.734 1.00 0.00 C ATOM 1263 O ARG A 82 -5.126 6.834 -16.664 1.00 0.00 O ATOM 1264 CB ARG A 82 -6.375 4.814 -18.983 1.00 0.00 C ATOM 1265 CG ARG A 82 -7.563 4.273 -19.791 1.00 0.00 C ATOM 1266 CD ARG A 82 -7.826 5.019 -21.098 1.00 0.00 C ATOM 1267 NE ARG A 82 -6.787 4.761 -22.114 1.00 0.00 N ATOM 1268 CZ ARG A 82 -6.500 5.566 -23.144 1.00 0.00 C ATOM 1269 NH1 ARG A 82 -7.086 6.752 -23.241 1.00 0.00 N ATOM 1270 NH2 ARG A 82 -5.633 5.182 -24.077 1.00 0.00 N ATOM 0 H ARG A 82 -6.588 7.540 -18.746 1.00 0.00 H new ATOM 0 HA ARG A 82 -7.740 5.184 -17.390 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.719 5.395 -19.631 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -5.784 3.986 -18.591 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -7.386 3.221 -20.016 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -8.459 4.320 -19.173 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.798 4.722 -21.493 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -7.877 6.089 -20.898 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.245 3.902 -22.024 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.755 7.050 -22.531 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -6.868 7.366 -24.026 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -5.183 4.269 -24.010 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -5.419 5.800 -24.859 1.00 0.00 H new ATOM 1284 N GLU A 83 -5.778 4.840 -15.859 1.00 0.00 N ATOM 1285 CA GLU A 83 -4.981 4.847 -14.644 1.00 0.00 C ATOM 1286 C GLU A 83 -3.541 4.406 -14.933 1.00 0.00 C ATOM 1287 O GLU A 83 -3.321 3.451 -15.684 1.00 0.00 O ATOM 1288 CB GLU A 83 -5.693 3.962 -13.609 1.00 0.00 C ATOM 1289 CG GLU A 83 -4.879 3.758 -12.332 1.00 0.00 C ATOM 1290 CD GLU A 83 -5.680 2.969 -11.279 1.00 0.00 C ATOM 1291 OE1 GLU A 83 -6.590 3.546 -10.637 1.00 0.00 O ATOM 1292 OE2 GLU A 83 -5.400 1.761 -11.081 1.00 0.00 O ATOM 0 H GLU A 83 -6.304 3.975 -15.983 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.897 5.854 -14.237 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.652 4.413 -13.353 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.906 2.991 -14.056 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.958 3.224 -12.566 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.591 4.726 -11.923 1.00 0.00 H new ATOM 1299 N ILE A 84 -2.573 5.083 -14.305 1.00 0.00 N ATOM 1300 CA ILE A 84 -1.139 4.868 -14.444 1.00 0.00 C ATOM 1301 C ILE A 84 -0.611 4.491 -13.042 1.00 0.00 C ATOM 1302 O ILE A 84 -0.749 5.300 -12.118 1.00 0.00 O ATOM 1303 CB ILE A 84 -0.472 6.150 -15.018 1.00 0.00 C ATOM 1304 CG1 ILE A 84 -1.150 6.717 -16.285 1.00 0.00 C ATOM 1305 CG2 ILE A 84 1.028 5.950 -15.279 1.00 0.00 C ATOM 1306 CD1 ILE A 84 -1.253 5.769 -17.485 1.00 0.00 C ATOM 0 H ILE A 84 -2.787 5.836 -13.651 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.903 4.065 -15.143 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.610 6.893 -14.233 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.156 7.041 -16.018 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.601 7.605 -16.598 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.454 6.870 -15.679 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.529 5.695 -14.345 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.168 5.143 -15.998 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.747 6.280 -18.311 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.253 5.462 -17.793 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.832 4.889 -17.205 1.00 0.00 H new ATOM 1318 N PRO A 85 -0.029 3.294 -12.840 1.00 0.00 N ATOM 1319 CA PRO A 85 0.481 2.870 -11.538 1.00 0.00 C ATOM 1320 C PRO A 85 1.806 3.571 -11.203 1.00 0.00 C ATOM 1321 O PRO A 85 2.642 3.799 -12.082 1.00 0.00 O ATOM 1322 CB PRO A 85 0.645 1.350 -11.634 1.00 0.00 C ATOM 1323 CG PRO A 85 0.930 1.126 -13.121 1.00 0.00 C ATOM 1324 CD PRO A 85 0.099 2.213 -13.806 1.00 0.00 C ATOM 0 HA PRO A 85 -0.200 3.140 -10.731 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.463 0.992 -11.008 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.255 0.826 -11.312 1.00 0.00 H new ATOM 0 HG2 PRO A 85 1.991 1.229 -13.347 1.00 0.00 H new ATOM 0 HG3 PRO A 85 0.631 0.128 -13.442 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.587 2.560 -14.717 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.880 1.831 -14.095 1.00 0.00 H new ATOM 1332 N GLU A 86 1.997 3.916 -9.927 1.00 0.00 N ATOM 1333 CA GLU A 86 3.204 4.549 -9.415 1.00 0.00 C ATOM 1334 C GLU A 86 4.387 3.571 -9.426 1.00 0.00 C ATOM 1335 O GLU A 86 4.212 2.351 -9.524 1.00 0.00 O ATOM 1336 CB GLU A 86 2.944 5.149 -8.023 1.00 0.00 C ATOM 1337 CG GLU A 86 3.077 4.158 -6.858 1.00 0.00 C ATOM 1338 CD GLU A 86 2.115 2.950 -6.912 1.00 0.00 C ATOM 1339 OE1 GLU A 86 0.959 3.086 -7.386 1.00 0.00 O ATOM 1340 OE2 GLU A 86 2.501 1.859 -6.426 1.00 0.00 O ATOM 0 H GLU A 86 1.294 3.756 -9.206 1.00 0.00 H new ATOM 0 HA GLU A 86 3.479 5.372 -10.075 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.640 5.972 -7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.940 5.573 -8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.101 3.786 -6.833 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.910 4.695 -5.924 1.00 0.00 H new ATOM 1347 N ILE A 87 5.589 4.118 -9.260 1.00 0.00 N ATOM 1348 CA ILE A 87 6.840 3.425 -9.089 1.00 0.00 C ATOM 1349 C ILE A 87 7.614 4.064 -7.932 1.00 0.00 C ATOM 1350 O ILE A 87 7.353 5.210 -7.551 1.00 0.00 O ATOM 1351 CB ILE A 87 7.650 3.473 -10.395 1.00 0.00 C ATOM 1352 CG1 ILE A 87 7.909 4.880 -10.972 1.00 0.00 C ATOM 1353 CG2 ILE A 87 7.015 2.567 -11.456 1.00 0.00 C ATOM 1354 CD1 ILE A 87 9.183 4.907 -11.827 1.00 0.00 C ATOM 0 H ILE A 87 5.710 5.131 -9.242 1.00 0.00 H new ATOM 0 HA ILE A 87 6.656 2.378 -8.849 1.00 0.00 H new ATOM 0 HB ILE A 87 8.637 3.103 -10.118 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.056 5.190 -11.576 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.000 5.598 -10.157 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.602 2.614 -12.373 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.993 1.540 -11.092 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.998 2.902 -11.659 1.00 0.00 H new ATOM 0 HD11 ILE A 87 9.337 5.912 -12.219 1.00 0.00 H new ATOM 0 HD12 ILE A 87 10.038 4.621 -11.215 1.00 0.00 H new ATOM 0 HD13 ILE A 87 9.080 4.207 -12.656 1.00 0.00 H new ATOM 1366 N ALA A 88 8.598 3.323 -7.416 1.00 0.00 N ATOM 1367 CA ALA A 88 9.534 3.771 -6.383 1.00 0.00 C ATOM 1368 C ALA A 88 10.986 3.376 -6.713 1.00 0.00 C ATOM 1369 O ALA A 88 11.829 3.229 -5.820 1.00 0.00 O ATOM 1370 CB ALA A 88 9.077 3.225 -5.030 1.00 0.00 C ATOM 0 H ALA A 88 8.770 2.363 -7.716 1.00 0.00 H new ATOM 0 HA ALA A 88 9.529 4.860 -6.342 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.768 3.553 -4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.077 3.596 -4.807 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.060 2.136 -5.064 1.00 0.00 H new ATOM 1376 N SER A 89 11.255 3.188 -8.003 1.00 0.00 N ATOM 1377 CA SER A 89 12.527 2.736 -8.561 1.00 0.00 C ATOM 1378 C SER A 89 12.876 3.648 -9.743 1.00 0.00 C ATOM 1379 O SER A 89 13.040 3.170 -10.886 1.00 0.00 O ATOM 1380 CB SER A 89 12.432 1.249 -8.942 1.00 0.00 C ATOM 1381 OG SER A 89 11.970 0.456 -7.847 1.00 0.00 O ATOM 1382 OXT SER A 89 12.941 4.881 -9.535 1.00 0.00 O ATOM 0 H SER A 89 10.554 3.356 -8.725 1.00 0.00 H new ATOM 0 HA SER A 89 13.334 2.808 -7.832 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.755 1.132 -9.788 1.00 0.00 H new ATOM 0 HB3 SER A 89 13.410 0.892 -9.264 1.00 0.00 H new ATOM 0 HG SER A 89 11.919 -0.483 -8.122 1.00 0.00 H new TER 1388 SER A 89