USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 779 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 20 LYS NZ :NH3+ -137:sc= -4.49! (180deg=-1.12) USER MOD Set 1.2: A 83 ASN : amide:sc= -1.38 K(o=-5.9,f=-8.7!) USER MOD Single : A 2 GLN : amide:sc= -0.638 K(o=-0.64,f=-4!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 166:sc=-0.00505 (180deg=-0.165) USER MOD Single : A 18 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.4) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -127:sc= -3.47! USER MOD Single : A 36 MET CE :methyl 134:sc= -0.275 (180deg=-1.55!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 156:sc=-0.00943 (180deg=-0.638) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -1.18! K(o=-1.2!,f=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.293 USER MOD Single : A 88 ASN : amide:sc= -0.0332 K(o=-0.033,f=-1.9!) USER MOD Single : A 91 THR OG1 : rot 100:sc= 0.528 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.0083) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 59.737 6.902 -1.533 1.00 0.00 N ATOM 2 CA PRO A 1 60.788 7.929 -1.327 1.00 0.00 C ATOM 3 C PRO A 1 60.968 8.741 -2.605 1.00 0.00 C ATOM 4 O PRO A 1 61.391 9.897 -2.562 1.00 0.00 O ATOM 5 CB PRO A 1 62.088 7.215 -0.966 1.00 0.00 C ATOM 6 CG PRO A 1 61.805 5.759 -1.165 1.00 0.00 C ATOM 7 CD PRO A 1 60.280 5.577 -1.127 1.00 0.00 C ATOM 0 H2 PRO A 1 59.449 6.882 -2.511 1.00 0.00 H new ATOM 0 H3 PRO A 1 58.908 7.128 -0.983 1.00 0.00 H new ATOM 0 HA PRO A 1 60.505 8.609 -0.524 1.00 0.00 H new ATOM 0 HB2 PRO A 1 62.909 7.547 -1.602 1.00 0.00 H new ATOM 0 HB3 PRO A 1 62.378 7.422 0.064 1.00 0.00 H new ATOM 0 HG2 PRO A 1 62.209 5.416 -2.118 1.00 0.00 H new ATOM 0 HG3 PRO A 1 62.282 5.165 -0.385 1.00 0.00 H new ATOM 0 HD2 PRO A 1 59.957 4.790 -1.808 1.00 0.00 H new ATOM 0 HD3 PRO A 1 59.938 5.296 -0.131 1.00 0.00 H new ATOM 17 N GLN A 2 60.641 8.131 -3.738 1.00 0.00 N ATOM 18 CA GLN A 2 60.768 8.810 -5.023 1.00 0.00 C ATOM 19 C GLN A 2 59.389 9.103 -5.608 1.00 0.00 C ATOM 20 O GLN A 2 58.453 8.324 -5.431 1.00 0.00 O ATOM 21 CB GLN A 2 61.557 7.936 -6.001 1.00 0.00 C ATOM 22 CG GLN A 2 62.951 7.652 -5.436 1.00 0.00 C ATOM 23 CD GLN A 2 63.839 8.883 -5.582 1.00 0.00 C ATOM 24 OE1 GLN A 2 63.348 9.972 -5.884 1.00 0.00 O ATOM 25 NE2 GLN A 2 65.126 8.774 -5.396 1.00 0.00 N ATOM 0 H GLN A 2 60.289 7.175 -3.794 1.00 0.00 H new ATOM 0 HA GLN A 2 61.297 9.750 -4.866 1.00 0.00 H new ATOM 0 HB2 GLN A 2 61.027 6.999 -6.174 1.00 0.00 H new ATOM 0 HB3 GLN A 2 61.641 8.438 -6.965 1.00 0.00 H new ATOM 0 HG2 GLN A 2 62.875 7.372 -4.385 1.00 0.00 H new ATOM 0 HG3 GLN A 2 63.399 6.807 -5.960 1.00 0.00 H new ATOM 0 HE21 GLN A 2 65.531 7.872 -5.146 1.00 0.00 H new ATOM 0 HE22 GLN A 2 65.727 9.591 -5.501 1.00 0.00 H new ATOM 34 N ILE A 3 59.274 10.226 -6.308 1.00 0.00 N ATOM 35 CA ILE A 3 58.004 10.605 -6.918 1.00 0.00 C ATOM 36 C ILE A 3 57.684 9.688 -8.092 1.00 0.00 C ATOM 37 O ILE A 3 56.569 9.695 -8.614 1.00 0.00 O ATOM 38 CB ILE A 3 58.064 12.064 -7.385 1.00 0.00 C ATOM 39 CG1 ILE A 3 59.012 12.195 -8.583 1.00 0.00 C ATOM 40 CG2 ILE A 3 58.570 12.944 -6.242 1.00 0.00 C ATOM 41 CD1 ILE A 3 59.062 13.657 -9.032 1.00 0.00 C ATOM 0 H ILE A 3 60.037 10.885 -6.467 1.00 0.00 H new ATOM 0 HA ILE A 3 57.213 10.503 -6.175 1.00 0.00 H new ATOM 0 HB ILE A 3 57.065 12.383 -7.682 1.00 0.00 H new ATOM 0 HG12 ILE A 3 60.010 11.852 -8.311 1.00 0.00 H new ATOM 0 HG13 ILE A 3 58.670 11.563 -9.402 1.00 0.00 H new ATOM 0 HG21 ILE A 3 58.613 13.982 -6.573 1.00 0.00 H new ATOM 0 HG22 ILE A 3 57.892 12.862 -5.392 1.00 0.00 H new ATOM 0 HG23 ILE A 3 59.566 12.617 -5.944 1.00 0.00 H new ATOM 0 HD11 ILE A 3 59.735 13.753 -9.884 1.00 0.00 H new ATOM 0 HD12 ILE A 3 58.063 13.983 -9.321 1.00 0.00 H new ATOM 0 HD13 ILE A 3 59.423 14.277 -8.212 1.00 0.00 H new ATOM 53 N THR A 4 58.674 8.902 -8.502 1.00 0.00 N ATOM 54 CA THR A 4 58.497 7.978 -9.617 1.00 0.00 C ATOM 55 C THR A 4 58.271 6.559 -9.106 1.00 0.00 C ATOM 56 O THR A 4 58.549 5.586 -9.806 1.00 0.00 O ATOM 57 CB THR A 4 59.733 8.008 -10.518 1.00 0.00 C ATOM 58 OG1 THR A 4 60.857 7.528 -9.795 1.00 0.00 O ATOM 59 CG2 THR A 4 59.994 9.442 -10.981 1.00 0.00 C ATOM 0 H THR A 4 59.603 8.886 -8.081 1.00 0.00 H new ATOM 0 HA THR A 4 57.622 8.289 -10.189 1.00 0.00 H new ATOM 0 HB THR A 4 59.564 7.373 -11.388 1.00 0.00 H new ATOM 0 HG1 THR A 4 61.649 7.545 -10.372 1.00 0.00 H new ATOM 0 HG21 THR A 4 60.875 9.462 -11.623 1.00 0.00 H new ATOM 0 HG22 THR A 4 59.131 9.807 -11.537 1.00 0.00 H new ATOM 0 HG23 THR A 4 60.163 10.080 -10.113 1.00 0.00 H new ATOM 67 N LEU A 5 57.773 6.452 -7.879 1.00 0.00 N ATOM 68 CA LEU A 5 57.519 5.147 -7.280 1.00 0.00 C ATOM 69 C LEU A 5 56.669 4.282 -8.207 1.00 0.00 C ATOM 70 O LEU A 5 56.859 3.069 -8.281 1.00 0.00 O ATOM 71 CB LEU A 5 56.801 5.315 -5.939 1.00 0.00 C ATOM 72 CG LEU A 5 55.504 6.100 -6.148 1.00 0.00 C ATOM 73 CD1 LEU A 5 54.307 5.160 -5.995 1.00 0.00 C ATOM 74 CD2 LEU A 5 55.412 7.214 -5.104 1.00 0.00 C ATOM 0 H LEU A 5 57.539 7.246 -7.284 1.00 0.00 H new ATOM 0 HA LEU A 5 58.478 4.654 -7.120 1.00 0.00 H new ATOM 0 HB2 LEU A 5 56.582 4.338 -5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 5 57.445 5.838 -5.233 1.00 0.00 H new ATOM 0 HG LEU A 5 55.499 6.534 -7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 5 53.384 5.720 -6.144 1.00 0.00 H new ATOM 0 HD12 LEU A 5 54.372 4.364 -6.737 1.00 0.00 H new ATOM 0 HD13 LEU A 5 54.311 4.726 -4.995 1.00 0.00 H new ATOM 0 HD21 LEU A 5 54.489 7.775 -5.251 1.00 0.00 H new ATOM 0 HD22 LEU A 5 55.417 6.778 -4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 5 56.265 7.884 -5.211 1.00 0.00 H new ATOM 86 N TRP A 6 55.732 4.909 -8.910 1.00 0.00 N ATOM 87 CA TRP A 6 54.863 4.175 -9.825 1.00 0.00 C ATOM 88 C TRP A 6 55.695 3.381 -10.824 1.00 0.00 C ATOM 89 O TRP A 6 55.337 2.263 -11.197 1.00 0.00 O ATOM 90 CB TRP A 6 53.950 5.146 -10.579 1.00 0.00 C ATOM 91 CG TRP A 6 53.035 5.822 -9.610 1.00 0.00 C ATOM 92 CD1 TRP A 6 52.137 5.190 -8.820 1.00 0.00 C ATOM 93 CD2 TRP A 6 52.908 7.243 -9.318 1.00 0.00 C ATOM 94 NE1 TRP A 6 51.470 6.134 -8.059 1.00 0.00 N ATOM 95 CE2 TRP A 6 51.910 7.414 -8.331 1.00 0.00 C ATOM 96 CE3 TRP A 6 53.558 8.391 -9.811 1.00 0.00 C ATOM 97 CZ2 TRP A 6 51.568 8.678 -7.847 1.00 0.00 C ATOM 98 CZ3 TRP A 6 53.216 9.664 -9.326 1.00 0.00 C ATOM 99 CH2 TRP A 6 52.223 9.807 -8.347 1.00 0.00 C ATOM 0 H TRP A 6 55.555 5.913 -8.866 1.00 0.00 H new ATOM 0 HA TRP A 6 54.253 3.486 -9.241 1.00 0.00 H new ATOM 0 HB2 TRP A 6 54.548 5.887 -11.109 1.00 0.00 H new ATOM 0 HB3 TRP A 6 53.370 4.609 -11.329 1.00 0.00 H new ATOM 0 HD1 TRP A 6 51.968 4.124 -8.788 1.00 0.00 H new ATOM 0 HE1 TRP A 6 50.742 5.911 -7.380 1.00 0.00 H new ATOM 0 HE3 TRP A 6 54.324 8.292 -10.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 50.803 8.783 -7.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 53.721 10.538 -9.710 1.00 0.00 H new ATOM 0 HH2 TRP A 6 51.964 10.789 -7.979 1.00 0.00 H new ATOM 110 N LYS A 7 56.811 3.962 -11.250 1.00 0.00 N ATOM 111 CA LYS A 7 57.691 3.298 -12.204 1.00 0.00 C ATOM 112 C LYS A 7 58.925 2.747 -11.498 1.00 0.00 C ATOM 113 O LYS A 7 59.426 3.344 -10.546 1.00 0.00 O ATOM 114 CB LYS A 7 58.127 4.280 -13.292 1.00 0.00 C ATOM 115 CG LYS A 7 56.911 4.720 -14.109 1.00 0.00 C ATOM 116 CD LYS A 7 57.373 5.602 -15.270 1.00 0.00 C ATOM 117 CE LYS A 7 56.156 6.147 -16.019 1.00 0.00 C ATOM 118 NZ LYS A 7 56.586 6.679 -17.342 1.00 0.00 N ATOM 0 H LYS A 7 57.126 4.885 -10.952 1.00 0.00 H new ATOM 0 HA LYS A 7 57.141 2.474 -12.658 1.00 0.00 H new ATOM 0 HB2 LYS A 7 58.607 5.148 -12.840 1.00 0.00 H new ATOM 0 HB3 LYS A 7 58.864 3.811 -13.944 1.00 0.00 H new ATOM 0 HG2 LYS A 7 56.379 3.848 -14.489 1.00 0.00 H new ATOM 0 HG3 LYS A 7 56.213 5.268 -13.476 1.00 0.00 H new ATOM 0 HD2 LYS A 7 57.980 6.426 -14.894 1.00 0.00 H new ATOM 0 HD3 LYS A 7 58.002 5.026 -15.949 1.00 0.00 H new ATOM 0 HE2 LYS A 7 55.416 5.358 -16.155 1.00 0.00 H new ATOM 0 HE3 LYS A 7 55.679 6.935 -15.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 55.759 7.050 -17.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 57.277 7.443 -17.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 57.022 5.916 -17.898 1.00 0.00 H new ATOM 132 N ARG A 8 59.415 1.610 -11.978 1.00 0.00 N ATOM 133 CA ARG A 8 60.597 0.993 -11.390 1.00 0.00 C ATOM 134 C ARG A 8 61.860 1.519 -12.083 1.00 0.00 C ATOM 135 O ARG A 8 62.047 1.285 -13.277 1.00 0.00 O ATOM 136 CB ARG A 8 60.525 -0.527 -11.554 1.00 0.00 C ATOM 137 CG ARG A 8 60.654 -1.196 -10.185 1.00 0.00 C ATOM 138 CD ARG A 8 60.814 -2.707 -10.365 1.00 0.00 C ATOM 139 NE ARG A 8 62.086 -3.007 -11.012 1.00 0.00 N ATOM 140 CZ ARG A 8 62.591 -4.236 -10.998 1.00 0.00 C ATOM 141 NH1 ARG A 8 61.946 -5.201 -10.402 1.00 0.00 N ATOM 142 NH2 ARG A 8 63.732 -4.478 -11.584 1.00 0.00 N ATOM 0 H ARG A 8 59.016 1.100 -12.766 1.00 0.00 H new ATOM 0 HA ARG A 8 60.635 1.243 -10.330 1.00 0.00 H new ATOM 0 HB2 ARG A 8 59.581 -0.808 -12.020 1.00 0.00 H new ATOM 0 HB3 ARG A 8 61.321 -0.870 -12.214 1.00 0.00 H new ATOM 0 HG2 ARG A 8 61.513 -0.790 -9.650 1.00 0.00 H new ATOM 0 HG3 ARG A 8 59.772 -0.983 -9.580 1.00 0.00 H new ATOM 0 HD2 ARG A 8 60.765 -3.203 -9.396 1.00 0.00 H new ATOM 0 HD3 ARG A 8 59.992 -3.098 -10.965 1.00 0.00 H new ATOM 0 HE ARG A 8 62.597 -2.261 -11.483 1.00 0.00 H new ATOM 0 HH11 ARG A 8 61.053 -5.012 -9.946 1.00 0.00 H new ATOM 0 HH12 ARG A 8 62.335 -6.144 -10.392 1.00 0.00 H new ATOM 0 HH21 ARG A 8 64.235 -3.724 -12.052 1.00 0.00 H new ATOM 0 HH22 ARG A 8 64.121 -5.421 -11.574 1.00 0.00 H new ATOM 156 N PRO A 9 62.726 2.220 -11.383 1.00 0.00 N ATOM 157 CA PRO A 9 63.971 2.764 -11.993 1.00 0.00 C ATOM 158 C PRO A 9 64.698 1.721 -12.836 1.00 0.00 C ATOM 159 O PRO A 9 64.755 0.546 -12.474 1.00 0.00 O ATOM 160 CB PRO A 9 64.821 3.177 -10.791 1.00 0.00 C ATOM 161 CG PRO A 9 63.854 3.436 -9.683 1.00 0.00 C ATOM 162 CD PRO A 9 62.620 2.572 -9.954 1.00 0.00 C ATOM 0 HA PRO A 9 63.763 3.589 -12.674 1.00 0.00 H new ATOM 0 HB2 PRO A 9 65.525 2.390 -10.520 1.00 0.00 H new ATOM 0 HB3 PRO A 9 65.409 4.068 -11.014 1.00 0.00 H new ATOM 0 HG2 PRO A 9 64.296 3.185 -8.719 1.00 0.00 H new ATOM 0 HG3 PRO A 9 63.585 4.492 -9.645 1.00 0.00 H new ATOM 0 HD2 PRO A 9 62.612 1.682 -9.325 1.00 0.00 H new ATOM 0 HD3 PRO A 9 61.699 3.117 -9.746 1.00 0.00 H new ATOM 170 N LEU A 10 65.253 2.163 -13.958 1.00 0.00 N ATOM 171 CA LEU A 10 65.975 1.260 -14.844 1.00 0.00 C ATOM 172 C LEU A 10 67.445 1.202 -14.452 1.00 0.00 C ATOM 173 O LEU A 10 68.070 2.230 -14.188 1.00 0.00 O ATOM 174 CB LEU A 10 65.852 1.737 -16.293 1.00 0.00 C ATOM 175 CG LEU A 10 64.928 0.795 -17.066 1.00 0.00 C ATOM 176 CD1 LEU A 10 65.566 -0.593 -17.148 1.00 0.00 C ATOM 177 CD2 LEU A 10 63.582 0.696 -16.347 1.00 0.00 C ATOM 0 H LEU A 10 65.218 3.132 -14.274 1.00 0.00 H new ATOM 0 HA LEU A 10 65.541 0.264 -14.754 1.00 0.00 H new ATOM 0 HB2 LEU A 10 65.458 2.753 -16.320 1.00 0.00 H new ATOM 0 HB3 LEU A 10 66.835 1.764 -16.762 1.00 0.00 H new ATOM 0 HG LEU A 10 64.774 1.184 -18.073 1.00 0.00 H new ATOM 0 HD11 LEU A 10 64.907 -1.264 -17.699 1.00 0.00 H new ATOM 0 HD12 LEU A 10 66.525 -0.523 -17.662 1.00 0.00 H new ATOM 0 HD13 LEU A 10 65.721 -0.982 -16.142 1.00 0.00 H new ATOM 0 HD21 LEU A 10 62.924 0.025 -16.898 1.00 0.00 H new ATOM 0 HD22 LEU A 10 63.735 0.308 -15.340 1.00 0.00 H new ATOM 0 HD23 LEU A 10 63.127 1.685 -16.290 1.00 0.00 H new ATOM 189 N VAL A 11 67.993 -0.007 -14.411 1.00 0.00 N ATOM 190 CA VAL A 11 69.391 -0.184 -14.046 1.00 0.00 C ATOM 191 C VAL A 11 70.196 -0.678 -15.239 1.00 0.00 C ATOM 192 O VAL A 11 69.809 -1.635 -15.910 1.00 0.00 O ATOM 193 CB VAL A 11 69.508 -1.190 -12.901 1.00 0.00 C ATOM 194 CG1 VAL A 11 70.970 -1.298 -12.463 1.00 0.00 C ATOM 195 CG2 VAL A 11 68.658 -0.722 -11.717 1.00 0.00 C ATOM 0 H VAL A 11 67.495 -0.871 -14.624 1.00 0.00 H new ATOM 0 HA VAL A 11 69.788 0.779 -13.726 1.00 0.00 H new ATOM 0 HB VAL A 11 69.155 -2.164 -13.240 1.00 0.00 H new ATOM 0 HG11 VAL A 11 71.053 -2.015 -11.647 1.00 0.00 H new ATOM 0 HG12 VAL A 11 71.578 -1.633 -13.304 1.00 0.00 H new ATOM 0 HG13 VAL A 11 71.322 -0.323 -12.126 1.00 0.00 H new ATOM 0 HG21 VAL A 11 68.743 -1.441 -10.902 1.00 0.00 H new ATOM 0 HG22 VAL A 11 69.010 0.253 -11.379 1.00 0.00 H new ATOM 0 HG23 VAL A 11 67.615 -0.645 -12.026 1.00 0.00 H new ATOM 205 N THR A 12 71.322 -0.023 -15.495 1.00 0.00 N ATOM 206 CA THR A 12 72.179 -0.411 -16.605 1.00 0.00 C ATOM 207 C THR A 12 73.576 -0.741 -16.094 1.00 0.00 C ATOM 208 O THR A 12 74.014 -0.211 -15.074 1.00 0.00 O ATOM 209 CB THR A 12 72.258 0.723 -17.629 1.00 0.00 C ATOM 210 OG1 THR A 12 73.068 1.769 -17.113 1.00 0.00 O ATOM 211 CG2 THR A 12 70.852 1.256 -17.911 1.00 0.00 C ATOM 0 H THR A 12 71.660 0.773 -14.953 1.00 0.00 H new ATOM 0 HA THR A 12 71.756 -1.294 -17.084 1.00 0.00 H new ATOM 0 HB THR A 12 72.695 0.348 -18.555 1.00 0.00 H new ATOM 0 HG1 THR A 12 73.121 2.495 -17.769 1.00 0.00 H new ATOM 0 HG21 THR A 12 70.909 2.064 -18.641 1.00 0.00 H new ATOM 0 HG22 THR A 12 70.231 0.452 -18.307 1.00 0.00 H new ATOM 0 HG23 THR A 12 70.413 1.632 -16.987 1.00 0.00 H new ATOM 219 N ILE A 13 74.267 -1.622 -16.804 1.00 0.00 N ATOM 220 CA ILE A 13 75.609 -2.017 -16.403 1.00 0.00 C ATOM 221 C ILE A 13 76.581 -1.915 -17.572 1.00 0.00 C ATOM 222 O ILE A 13 76.173 -1.866 -18.733 1.00 0.00 O ATOM 223 CB ILE A 13 75.588 -3.450 -15.865 1.00 0.00 C ATOM 224 CG1 ILE A 13 75.216 -4.423 -16.988 1.00 0.00 C ATOM 225 CG2 ILE A 13 74.554 -3.556 -14.743 1.00 0.00 C ATOM 226 CD1 ILE A 13 75.240 -5.854 -16.449 1.00 0.00 C ATOM 0 H ILE A 13 73.924 -2.073 -17.652 1.00 0.00 H new ATOM 0 HA ILE A 13 75.947 -1.339 -15.619 1.00 0.00 H new ATOM 0 HB ILE A 13 76.577 -3.703 -15.482 1.00 0.00 H new ATOM 0 HG12 ILE A 13 74.226 -4.186 -17.377 1.00 0.00 H new ATOM 0 HG13 ILE A 13 75.916 -4.323 -17.817 1.00 0.00 H new ATOM 0 HG21 ILE A 13 74.538 -4.576 -14.359 1.00 0.00 H new ATOM 0 HG22 ILE A 13 74.818 -2.869 -13.939 1.00 0.00 H new ATOM 0 HG23 ILE A 13 73.568 -3.299 -15.131 1.00 0.00 H new ATOM 0 HD11 ILE A 13 74.975 -6.548 -17.247 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.239 -6.088 -16.081 1.00 0.00 H new ATOM 0 HD13 ILE A 13 74.522 -5.948 -15.634 1.00 0.00 H new ATOM 238 N LYS A 14 77.870 -1.907 -17.255 1.00 0.00 N ATOM 239 CA LYS A 14 78.899 -1.836 -18.283 1.00 0.00 C ATOM 240 C LYS A 14 79.828 -3.039 -18.164 1.00 0.00 C ATOM 241 O LYS A 14 80.531 -3.199 -17.162 1.00 0.00 O ATOM 242 CB LYS A 14 79.698 -0.539 -18.143 1.00 0.00 C ATOM 243 CG LYS A 14 78.779 0.656 -18.406 1.00 0.00 C ATOM 244 CD LYS A 14 79.595 1.949 -18.361 1.00 0.00 C ATOM 245 CE LYS A 14 78.656 3.149 -18.517 1.00 0.00 C ATOM 246 NZ LYS A 14 77.902 3.358 -17.249 1.00 0.00 N ATOM 0 H LYS A 14 78.226 -1.949 -16.300 1.00 0.00 H new ATOM 0 HA LYS A 14 78.423 -1.847 -19.264 1.00 0.00 H new ATOM 0 HB2 LYS A 14 80.126 -0.469 -17.143 1.00 0.00 H new ATOM 0 HB3 LYS A 14 80.530 -0.534 -18.847 1.00 0.00 H new ATOM 0 HG2 LYS A 14 78.298 0.551 -19.379 1.00 0.00 H new ATOM 0 HG3 LYS A 14 77.985 0.689 -17.660 1.00 0.00 H new ATOM 0 HD2 LYS A 14 80.137 2.017 -17.418 1.00 0.00 H new ATOM 0 HD3 LYS A 14 80.340 1.950 -19.157 1.00 0.00 H new ATOM 0 HE2 LYS A 14 79.229 4.043 -18.763 1.00 0.00 H new ATOM 0 HE3 LYS A 14 77.963 2.977 -19.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 77.449 4.294 -17.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 77.173 2.622 -17.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 78.557 3.303 -16.443 1.00 0.00 H new ATOM 260 N ILE A 15 79.821 -3.887 -19.185 1.00 0.00 N ATOM 261 CA ILE A 15 80.660 -5.077 -19.181 1.00 0.00 C ATOM 262 C ILE A 15 81.317 -5.291 -20.543 1.00 0.00 C ATOM 263 O ILE A 15 80.648 -5.278 -21.576 1.00 0.00 O ATOM 264 CB ILE A 15 79.815 -6.297 -18.801 1.00 0.00 C ATOM 265 CG1 ILE A 15 80.615 -7.583 -19.061 1.00 0.00 C ATOM 266 CG2 ILE A 15 78.517 -6.303 -19.615 1.00 0.00 C ATOM 267 CD1 ILE A 15 80.176 -8.222 -20.383 1.00 0.00 C ATOM 0 H ILE A 15 79.247 -3.774 -20.021 1.00 0.00 H new ATOM 0 HA ILE A 15 81.453 -4.941 -18.446 1.00 0.00 H new ATOM 0 HB ILE A 15 79.564 -6.247 -17.742 1.00 0.00 H new ATOM 0 HG12 ILE A 15 81.681 -7.356 -19.095 1.00 0.00 H new ATOM 0 HG13 ILE A 15 80.464 -8.286 -18.241 1.00 0.00 H new ATOM 0 HG21 ILE A 15 77.920 -7.173 -19.341 1.00 0.00 H new ATOM 0 HG22 ILE A 15 77.952 -5.394 -19.406 1.00 0.00 H new ATOM 0 HG23 ILE A 15 78.754 -6.346 -20.678 1.00 0.00 H new ATOM 0 HD11 ILE A 15 80.750 -9.132 -20.556 1.00 0.00 H new ATOM 0 HD12 ILE A 15 79.115 -8.466 -20.334 1.00 0.00 H new ATOM 0 HD13 ILE A 15 80.350 -7.523 -21.201 1.00 0.00 H new ATOM 279 N GLY A 16 82.630 -5.497 -20.533 1.00 0.00 N ATOM 280 CA GLY A 16 83.372 -5.727 -21.769 1.00 0.00 C ATOM 281 C GLY A 16 83.565 -4.433 -22.552 1.00 0.00 C ATOM 282 O GLY A 16 84.082 -4.447 -23.670 1.00 0.00 O ATOM 0 H GLY A 16 83.201 -5.510 -19.688 1.00 0.00 H new ATOM 0 HA2 GLY A 16 84.344 -6.161 -21.536 1.00 0.00 H new ATOM 0 HA3 GLY A 16 82.839 -6.451 -22.386 1.00 0.00 H new ATOM 286 N GLY A 17 83.147 -3.317 -21.965 1.00 0.00 N ATOM 287 CA GLY A 17 83.280 -2.025 -22.630 1.00 0.00 C ATOM 288 C GLY A 17 82.014 -1.689 -23.410 1.00 0.00 C ATOM 289 O GLY A 17 81.965 -0.698 -24.139 1.00 0.00 O ATOM 0 H GLY A 17 82.718 -3.279 -21.040 1.00 0.00 H new ATOM 0 HA2 GLY A 17 83.475 -1.248 -21.891 1.00 0.00 H new ATOM 0 HA3 GLY A 17 84.135 -2.044 -23.305 1.00 0.00 H new ATOM 293 N GLN A 18 80.989 -2.521 -23.244 1.00 0.00 N ATOM 294 CA GLN A 18 79.719 -2.309 -23.930 1.00 0.00 C ATOM 295 C GLN A 18 78.598 -2.115 -22.916 1.00 0.00 C ATOM 296 O GLN A 18 78.691 -2.579 -21.780 1.00 0.00 O ATOM 297 CB GLN A 18 79.397 -3.509 -24.823 1.00 0.00 C ATOM 298 CG GLN A 18 80.522 -3.708 -25.840 1.00 0.00 C ATOM 299 CD GLN A 18 80.666 -2.462 -26.706 1.00 0.00 C ATOM 300 OE1 GLN A 18 79.674 -1.941 -27.216 1.00 0.00 O ATOM 301 NE2 GLN A 18 81.849 -1.949 -26.903 1.00 0.00 N ATOM 0 H GLN A 18 81.013 -3.345 -22.643 1.00 0.00 H new ATOM 0 HA GLN A 18 79.803 -1.414 -24.546 1.00 0.00 H new ATOM 0 HB2 GLN A 18 79.279 -4.406 -24.215 1.00 0.00 H new ATOM 0 HB3 GLN A 18 78.451 -3.347 -25.339 1.00 0.00 H new ATOM 0 HG2 GLN A 18 81.459 -3.912 -25.323 1.00 0.00 H new ATOM 0 HG3 GLN A 18 80.308 -4.574 -26.466 1.00 0.00 H new ATOM 0 HE21 GLN A 18 82.670 -2.382 -26.480 1.00 0.00 H new ATOM 0 HE22 GLN A 18 81.953 -1.115 -27.480 1.00 0.00 H new ATOM 310 N LEU A 19 77.539 -1.429 -23.331 1.00 0.00 N ATOM 311 CA LEU A 19 76.411 -1.186 -22.440 1.00 0.00 C ATOM 312 C LEU A 19 75.394 -2.318 -22.546 1.00 0.00 C ATOM 313 O LEU A 19 74.940 -2.657 -23.638 1.00 0.00 O ATOM 314 CB LEU A 19 75.734 0.139 -22.800 1.00 0.00 C ATOM 315 CG LEU A 19 76.720 1.296 -22.600 1.00 0.00 C ATOM 316 CD1 LEU A 19 77.789 1.276 -23.698 1.00 0.00 C ATOM 317 CD2 LEU A 19 75.959 2.622 -22.660 1.00 0.00 C ATOM 0 H LEU A 19 77.438 -1.036 -24.267 1.00 0.00 H new ATOM 0 HA LEU A 19 76.785 -1.138 -21.417 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.393 0.114 -23.835 1.00 0.00 H new ATOM 0 HB3 LEU A 19 74.852 0.289 -22.177 1.00 0.00 H new ATOM 0 HG LEU A 19 77.205 1.188 -21.630 1.00 0.00 H new ATOM 0 HD11 LEU A 19 78.483 2.102 -23.545 1.00 0.00 H new ATOM 0 HD12 LEU A 19 78.334 0.333 -23.659 1.00 0.00 H new ATOM 0 HD13 LEU A 19 77.312 1.379 -24.672 1.00 0.00 H new ATOM 0 HD21 LEU A 19 76.656 3.448 -22.518 1.00 0.00 H new ATOM 0 HD22 LEU A 19 75.474 2.719 -23.631 1.00 0.00 H new ATOM 0 HD23 LEU A 19 75.205 2.645 -21.873 1.00 0.00 H new ATOM 329 N LYS A 20 75.043 -2.899 -21.403 1.00 0.00 N ATOM 330 CA LYS A 20 74.080 -3.994 -21.375 1.00 0.00 C ATOM 331 C LYS A 20 73.086 -3.785 -20.233 1.00 0.00 C ATOM 332 O LYS A 20 73.392 -3.108 -19.252 1.00 0.00 O ATOM 333 CB LYS A 20 74.818 -5.327 -21.193 1.00 0.00 C ATOM 334 CG LYS A 20 73.887 -6.509 -21.500 1.00 0.00 C ATOM 335 CD LYS A 20 73.793 -6.727 -23.016 1.00 0.00 C ATOM 336 CE LYS A 20 73.005 -8.009 -23.298 1.00 0.00 C ATOM 337 NZ LYS A 20 72.231 -8.392 -22.084 1.00 0.00 N ATOM 0 H LYS A 20 75.409 -2.632 -20.489 1.00 0.00 H new ATOM 0 HA LYS A 20 73.533 -4.015 -22.318 1.00 0.00 H new ATOM 0 HB2 LYS A 20 75.686 -5.361 -21.851 1.00 0.00 H new ATOM 0 HB3 LYS A 20 75.190 -5.406 -20.171 1.00 0.00 H new ATOM 0 HG2 LYS A 20 74.262 -7.412 -21.018 1.00 0.00 H new ATOM 0 HG3 LYS A 20 72.895 -6.317 -21.090 1.00 0.00 H new ATOM 0 HD2 LYS A 20 73.303 -5.875 -23.487 1.00 0.00 H new ATOM 0 HD3 LYS A 20 74.792 -6.799 -23.447 1.00 0.00 H new ATOM 0 HE2 LYS A 20 72.330 -7.856 -24.140 1.00 0.00 H new ATOM 0 HE3 LYS A 20 73.686 -8.813 -23.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 72.308 -9.418 -21.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 72.612 -7.890 -21.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 71.232 -8.135 -22.214 1.00 0.00 H new ATOM 351 N GLU A 21 71.904 -4.379 -20.357 1.00 0.00 N ATOM 352 CA GLU A 21 70.887 -4.260 -19.319 1.00 0.00 C ATOM 353 C GLU A 21 70.631 -5.625 -18.686 1.00 0.00 C ATOM 354 O GLU A 21 70.709 -6.653 -19.360 1.00 0.00 O ATOM 355 CB GLU A 21 69.589 -3.719 -19.920 1.00 0.00 C ATOM 356 CG GLU A 21 69.846 -2.346 -20.545 1.00 0.00 C ATOM 357 CD GLU A 21 68.545 -1.774 -21.099 1.00 0.00 C ATOM 358 OE1 GLU A 21 67.573 -2.508 -21.153 1.00 0.00 O ATOM 359 OE2 GLU A 21 68.541 -0.609 -21.464 1.00 0.00 O ATOM 0 H GLU A 21 71.628 -4.944 -21.160 1.00 0.00 H new ATOM 0 HA GLU A 21 71.241 -3.570 -18.553 1.00 0.00 H new ATOM 0 HB2 GLU A 21 69.211 -4.408 -20.675 1.00 0.00 H new ATOM 0 HB3 GLU A 21 68.824 -3.641 -19.148 1.00 0.00 H new ATOM 0 HG2 GLU A 21 70.262 -1.669 -19.798 1.00 0.00 H new ATOM 0 HG3 GLU A 21 70.584 -2.433 -21.343 1.00 0.00 H new ATOM 366 N ALA A 22 70.332 -5.636 -17.391 1.00 0.00 N ATOM 367 CA ALA A 22 70.078 -6.892 -16.693 1.00 0.00 C ATOM 368 C ALA A 22 68.998 -6.722 -15.630 1.00 0.00 C ATOM 369 O ALA A 22 68.811 -5.633 -15.088 1.00 0.00 O ATOM 370 CB ALA A 22 71.366 -7.391 -16.034 1.00 0.00 C ATOM 0 H ALA A 22 70.260 -4.801 -16.809 1.00 0.00 H new ATOM 0 HA ALA A 22 69.731 -7.621 -17.425 1.00 0.00 H new ATOM 0 HB1 ALA A 22 71.169 -8.329 -15.515 1.00 0.00 H new ATOM 0 HB2 ALA A 22 72.127 -7.552 -16.798 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.721 -6.648 -15.319 1.00 0.00 H new ATOM 376 N LEU A 23 68.297 -7.812 -15.331 1.00 0.00 N ATOM 377 CA LEU A 23 67.244 -7.783 -14.324 1.00 0.00 C ATOM 378 C LEU A 23 67.739 -8.414 -13.026 1.00 0.00 C ATOM 379 O LEU A 23 68.551 -9.341 -13.045 1.00 0.00 O ATOM 380 CB LEU A 23 66.011 -8.538 -14.827 1.00 0.00 C ATOM 381 CG LEU A 23 65.555 -7.953 -16.167 1.00 0.00 C ATOM 382 CD1 LEU A 23 64.270 -8.649 -16.618 1.00 0.00 C ATOM 383 CD2 LEU A 23 65.290 -6.454 -16.009 1.00 0.00 C ATOM 0 H LEU A 23 68.439 -8.722 -15.770 1.00 0.00 H new ATOM 0 HA LEU A 23 66.973 -6.744 -14.135 1.00 0.00 H new ATOM 0 HB2 LEU A 23 66.244 -9.597 -14.942 1.00 0.00 H new ATOM 0 HB3 LEU A 23 65.206 -8.466 -14.096 1.00 0.00 H new ATOM 0 HG LEU A 23 66.335 -8.108 -16.912 1.00 0.00 H new ATOM 0 HD11 LEU A 23 63.946 -8.232 -17.572 1.00 0.00 H new ATOM 0 HD12 LEU A 23 64.456 -9.717 -16.733 1.00 0.00 H new ATOM 0 HD13 LEU A 23 63.491 -8.495 -15.871 1.00 0.00 H new ATOM 0 HD21 LEU A 23 64.966 -6.039 -16.963 1.00 0.00 H new ATOM 0 HD22 LEU A 23 64.511 -6.299 -15.262 1.00 0.00 H new ATOM 0 HD23 LEU A 23 66.204 -5.955 -15.688 1.00 0.00 H new ATOM 395 N LEU A 24 67.254 -7.903 -11.901 1.00 0.00 N ATOM 396 CA LEU A 24 67.663 -8.422 -10.602 1.00 0.00 C ATOM 397 C LEU A 24 66.763 -9.580 -10.177 1.00 0.00 C ATOM 398 O LEU A 24 65.541 -9.517 -10.322 1.00 0.00 O ATOM 399 CB LEU A 24 67.593 -7.306 -9.557 1.00 0.00 C ATOM 400 CG LEU A 24 68.407 -6.101 -10.039 1.00 0.00 C ATOM 401 CD1 LEU A 24 68.425 -5.028 -8.948 1.00 0.00 C ATOM 402 CD2 LEU A 24 69.842 -6.537 -10.344 1.00 0.00 C ATOM 0 H LEU A 24 66.583 -7.136 -11.861 1.00 0.00 H new ATOM 0 HA LEU A 24 68.687 -8.788 -10.680 1.00 0.00 H new ATOM 0 HB2 LEU A 24 66.556 -7.014 -9.390 1.00 0.00 H new ATOM 0 HB3 LEU A 24 67.981 -7.662 -8.603 1.00 0.00 H new ATOM 0 HG LEU A 24 67.951 -5.697 -10.943 1.00 0.00 H new ATOM 0 HD11 LEU A 24 69.004 -4.170 -9.291 1.00 0.00 H new ATOM 0 HD12 LEU A 24 67.404 -4.713 -8.730 1.00 0.00 H new ATOM 0 HD13 LEU A 24 68.879 -5.435 -8.045 1.00 0.00 H new ATOM 0 HD21 LEU A 24 70.418 -5.678 -10.687 1.00 0.00 H new ATOM 0 HD22 LEU A 24 70.298 -6.943 -9.441 1.00 0.00 H new ATOM 0 HD23 LEU A 24 69.833 -7.301 -11.121 1.00 0.00 H new ATOM 414 N ASP A 25 67.377 -10.635 -9.651 1.00 0.00 N ATOM 415 CA ASP A 25 66.627 -11.805 -9.205 1.00 0.00 C ATOM 416 C ASP A 25 66.400 -11.749 -7.697 1.00 0.00 C ATOM 417 O ASP A 25 67.226 -11.217 -6.956 1.00 0.00 O ATOM 418 CB ASP A 25 67.386 -13.083 -9.564 1.00 0.00 C ATOM 419 CG ASP A 25 66.508 -14.303 -9.307 1.00 0.00 C ATOM 420 OD1 ASP A 25 65.726 -14.640 -10.182 1.00 0.00 O ATOM 421 OD2 ASP A 25 66.629 -14.881 -8.240 1.00 0.00 O ATOM 0 H ASP A 25 68.387 -10.705 -9.523 1.00 0.00 H new ATOM 0 HA ASP A 25 65.660 -11.808 -9.708 1.00 0.00 H new ATOM 0 HB2 ASP A 25 67.686 -13.055 -10.612 1.00 0.00 H new ATOM 0 HB3 ASP A 25 68.299 -13.151 -8.973 1.00 0.00 H new ATOM 426 N THR A 26 65.279 -12.305 -7.250 1.00 0.00 N ATOM 427 CA THR A 26 64.953 -12.320 -5.829 1.00 0.00 C ATOM 428 C THR A 26 65.920 -13.217 -5.060 1.00 0.00 C ATOM 429 O THR A 26 66.199 -12.979 -3.885 1.00 0.00 O ATOM 430 CB THR A 26 63.518 -12.815 -5.630 1.00 0.00 C ATOM 431 OG1 THR A 26 62.634 -12.020 -6.410 1.00 0.00 O ATOM 432 CG2 THR A 26 63.135 -12.708 -4.154 1.00 0.00 C ATOM 0 H THR A 26 64.583 -12.750 -7.849 1.00 0.00 H new ATOM 0 HA THR A 26 65.044 -11.304 -5.444 1.00 0.00 H new ATOM 0 HB THR A 26 63.447 -13.856 -5.944 1.00 0.00 H new ATOM 0 HG1 THR A 26 61.715 -12.336 -6.286 1.00 0.00 H new ATOM 0 HG21 THR A 26 62.113 -13.061 -4.017 1.00 0.00 H new ATOM 0 HG22 THR A 26 63.813 -13.318 -3.557 1.00 0.00 H new ATOM 0 HG23 THR A 26 63.206 -11.668 -3.834 1.00 0.00 H new ATOM 440 N GLY A 27 66.426 -14.249 -5.728 1.00 0.00 N ATOM 441 CA GLY A 27 67.356 -15.174 -5.088 1.00 0.00 C ATOM 442 C GLY A 27 68.446 -15.624 -6.054 1.00 0.00 C ATOM 443 O GLY A 27 69.526 -15.035 -6.104 1.00 0.00 O ATOM 0 H GLY A 27 66.211 -14.465 -6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 27 67.811 -14.694 -4.222 1.00 0.00 H new ATOM 0 HA3 GLY A 27 66.811 -16.044 -4.721 1.00 0.00 H new ATOM 447 N ALA A 28 68.161 -16.679 -6.811 1.00 0.00 N ATOM 448 CA ALA A 28 69.132 -17.209 -7.762 1.00 0.00 C ATOM 449 C ALA A 28 70.492 -17.365 -7.090 1.00 0.00 C ATOM 450 O ALA A 28 71.212 -16.387 -6.886 1.00 0.00 O ATOM 451 CB ALA A 28 69.255 -16.274 -8.966 1.00 0.00 C ATOM 0 H ALA A 28 67.273 -17.180 -6.785 1.00 0.00 H new ATOM 0 HA ALA A 28 68.789 -18.185 -8.104 1.00 0.00 H new ATOM 0 HB1 ALA A 28 69.982 -16.680 -9.669 1.00 0.00 H new ATOM 0 HB2 ALA A 28 68.286 -16.184 -9.458 1.00 0.00 H new ATOM 0 HB3 ALA A 28 69.584 -15.290 -8.631 1.00 0.00 H new ATOM 457 N ASP A 29 70.838 -18.601 -6.740 1.00 0.00 N ATOM 458 CA ASP A 29 72.111 -18.871 -6.083 1.00 0.00 C ATOM 459 C ASP A 29 73.279 -18.376 -6.932 1.00 0.00 C ATOM 460 O ASP A 29 74.257 -17.845 -6.407 1.00 0.00 O ATOM 461 CB ASP A 29 72.261 -20.373 -5.835 1.00 0.00 C ATOM 462 CG ASP A 29 71.239 -20.839 -4.803 1.00 0.00 C ATOM 463 OD1 ASP A 29 70.633 -19.989 -4.171 1.00 0.00 O ATOM 464 OD2 ASP A 29 71.077 -22.040 -4.659 1.00 0.00 O ATOM 0 H ASP A 29 70.259 -19.425 -6.899 1.00 0.00 H new ATOM 0 HA ASP A 29 72.122 -18.339 -5.132 1.00 0.00 H new ATOM 0 HB2 ASP A 29 72.122 -20.919 -6.768 1.00 0.00 H new ATOM 0 HB3 ASP A 29 73.269 -20.593 -5.484 1.00 0.00 H new ATOM 469 N ASP A 30 73.175 -18.564 -8.244 1.00 0.00 N ATOM 470 CA ASP A 30 74.237 -18.142 -9.151 1.00 0.00 C ATOM 471 C ASP A 30 73.727 -17.112 -10.155 1.00 0.00 C ATOM 472 O ASP A 30 72.541 -16.785 -10.178 1.00 0.00 O ATOM 473 CB ASP A 30 74.795 -19.353 -9.899 1.00 0.00 C ATOM 474 CG ASP A 30 75.486 -20.298 -8.922 1.00 0.00 C ATOM 475 OD1 ASP A 30 75.732 -19.883 -7.801 1.00 0.00 O ATOM 476 OD2 ASP A 30 75.759 -21.422 -9.308 1.00 0.00 O ATOM 0 H ASP A 30 72.374 -19.002 -8.700 1.00 0.00 H new ATOM 0 HA ASP A 30 75.026 -17.682 -8.556 1.00 0.00 H new ATOM 0 HB2 ASP A 30 73.989 -19.875 -10.414 1.00 0.00 H new ATOM 0 HB3 ASP A 30 75.501 -19.026 -10.662 1.00 0.00 H new ATOM 481 N THR A 31 74.639 -16.604 -10.979 1.00 0.00 N ATOM 482 CA THR A 31 74.290 -15.607 -11.987 1.00 0.00 C ATOM 483 C THR A 31 74.483 -16.171 -13.393 1.00 0.00 C ATOM 484 O THR A 31 75.468 -16.855 -13.667 1.00 0.00 O ATOM 485 CB THR A 31 75.168 -14.366 -11.805 1.00 0.00 C ATOM 486 OG1 THR A 31 74.859 -13.750 -10.564 1.00 0.00 O ATOM 487 CG2 THR A 31 74.925 -13.380 -12.950 1.00 0.00 C ATOM 0 H THR A 31 75.625 -16.866 -10.969 1.00 0.00 H new ATOM 0 HA THR A 31 73.241 -15.337 -11.863 1.00 0.00 H new ATOM 0 HB THR A 31 76.217 -14.662 -11.813 1.00 0.00 H new ATOM 0 HG1 THR A 31 74.656 -12.803 -10.711 1.00 0.00 H new ATOM 0 HG21 THR A 31 75.554 -12.500 -12.812 1.00 0.00 H new ATOM 0 HG22 THR A 31 75.171 -13.857 -13.899 1.00 0.00 H new ATOM 0 HG23 THR A 31 73.877 -13.080 -12.955 1.00 0.00 H new ATOM 495 N VAL A 32 73.538 -15.872 -14.280 1.00 0.00 N ATOM 496 CA VAL A 32 73.617 -16.350 -15.657 1.00 0.00 C ATOM 497 C VAL A 32 73.408 -15.196 -16.632 1.00 0.00 C ATOM 498 O VAL A 32 72.486 -14.397 -16.468 1.00 0.00 O ATOM 499 CB VAL A 32 72.556 -17.426 -15.899 1.00 0.00 C ATOM 500 CG1 VAL A 32 72.718 -17.993 -17.311 1.00 0.00 C ATOM 501 CG2 VAL A 32 72.731 -18.550 -14.876 1.00 0.00 C ATOM 0 H VAL A 32 72.715 -15.306 -14.073 1.00 0.00 H new ATOM 0 HA VAL A 32 74.607 -16.776 -15.820 1.00 0.00 H new ATOM 0 HB VAL A 32 71.563 -16.989 -15.795 1.00 0.00 H new ATOM 0 HG11 VAL A 32 71.963 -18.760 -17.484 1.00 0.00 H new ATOM 0 HG12 VAL A 32 72.597 -17.192 -18.041 1.00 0.00 H new ATOM 0 HG13 VAL A 32 73.710 -18.432 -17.415 1.00 0.00 H new ATOM 0 HG21 VAL A 32 71.976 -19.318 -15.046 1.00 0.00 H new ATOM 0 HG22 VAL A 32 73.724 -18.987 -14.982 1.00 0.00 H new ATOM 0 HG23 VAL A 32 72.618 -18.147 -13.870 1.00 0.00 H new ATOM 511 N ILE A 33 74.267 -15.107 -17.645 1.00 0.00 N ATOM 512 CA ILE A 33 74.153 -14.036 -18.629 1.00 0.00 C ATOM 513 C ILE A 33 74.114 -14.588 -20.054 1.00 0.00 C ATOM 514 O ILE A 33 74.630 -15.672 -20.325 1.00 0.00 O ATOM 515 CB ILE A 33 75.326 -13.061 -18.475 1.00 0.00 C ATOM 516 CG1 ILE A 33 76.640 -13.762 -18.836 1.00 0.00 C ATOM 517 CG2 ILE A 33 75.394 -12.575 -17.026 1.00 0.00 C ATOM 518 CD1 ILE A 33 77.794 -12.759 -18.739 1.00 0.00 C ATOM 0 H ILE A 33 75.039 -15.754 -17.804 1.00 0.00 H new ATOM 0 HA ILE A 33 73.216 -13.510 -18.449 1.00 0.00 H new ATOM 0 HB ILE A 33 75.176 -12.213 -19.143 1.00 0.00 H new ATOM 0 HG12 ILE A 33 76.815 -14.601 -18.162 1.00 0.00 H new ATOM 0 HG13 ILE A 33 76.582 -14.170 -19.845 1.00 0.00 H new ATOM 0 HG21 ILE A 33 76.227 -11.881 -16.914 1.00 0.00 H new ATOM 0 HG22 ILE A 33 74.464 -12.069 -16.768 1.00 0.00 H new ATOM 0 HG23 ILE A 33 75.540 -13.428 -16.363 1.00 0.00 H new ATOM 0 HD11 ILE A 33 78.730 -13.255 -18.995 1.00 0.00 H new ATOM 0 HD12 ILE A 33 77.619 -11.935 -19.431 1.00 0.00 H new ATOM 0 HD13 ILE A 33 77.855 -12.372 -17.722 1.00 0.00 H new ATOM 530 N GLU A 34 73.505 -13.824 -20.959 1.00 0.00 N ATOM 531 CA GLU A 34 73.408 -14.232 -22.358 1.00 0.00 C ATOM 532 C GLU A 34 74.793 -14.259 -23.001 1.00 0.00 C ATOM 533 O GLU A 34 75.700 -13.546 -22.570 1.00 0.00 O ATOM 534 CB GLU A 34 72.499 -13.262 -23.121 1.00 0.00 C ATOM 535 CG GLU A 34 72.289 -13.762 -24.552 1.00 0.00 C ATOM 536 CD GLU A 34 71.428 -12.771 -25.327 1.00 0.00 C ATOM 537 OE1 GLU A 34 71.060 -11.760 -24.752 1.00 0.00 O ATOM 538 OE2 GLU A 34 71.148 -13.039 -26.485 1.00 0.00 O ATOM 0 H GLU A 34 73.074 -12.924 -20.750 1.00 0.00 H new ATOM 0 HA GLU A 34 72.982 -15.234 -22.402 1.00 0.00 H new ATOM 0 HB2 GLU A 34 71.539 -13.174 -22.613 1.00 0.00 H new ATOM 0 HB3 GLU A 34 72.945 -12.267 -23.136 1.00 0.00 H new ATOM 0 HG2 GLU A 34 73.252 -13.886 -25.048 1.00 0.00 H new ATOM 0 HG3 GLU A 34 71.809 -14.741 -24.538 1.00 0.00 H new ATOM 545 N GLU A 35 74.948 -15.081 -24.034 1.00 0.00 N ATOM 546 CA GLU A 35 76.227 -15.187 -24.729 1.00 0.00 C ATOM 547 C GLU A 35 76.491 -13.930 -25.556 1.00 0.00 C ATOM 548 O GLU A 35 75.577 -13.371 -26.163 1.00 0.00 O ATOM 549 CB GLU A 35 76.224 -16.413 -25.645 1.00 0.00 C ATOM 550 CG GLU A 35 77.634 -16.656 -26.188 1.00 0.00 C ATOM 551 CD GLU A 35 77.932 -15.676 -27.318 1.00 0.00 C ATOM 552 OE1 GLU A 35 76.997 -15.059 -27.801 1.00 0.00 O ATOM 553 OE2 GLU A 35 79.089 -15.557 -27.683 1.00 0.00 O ATOM 0 H GLU A 35 74.211 -15.679 -24.406 1.00 0.00 H new ATOM 0 HA GLU A 35 77.017 -15.293 -23.986 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.880 -17.289 -25.095 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.528 -16.261 -26.470 1.00 0.00 H new ATOM 0 HG2 GLU A 35 78.366 -16.537 -25.389 1.00 0.00 H new ATOM 0 HG3 GLU A 35 77.722 -17.680 -26.551 1.00 0.00 H new ATOM 560 N MET A 36 77.748 -13.500 -25.580 1.00 0.00 N ATOM 561 CA MET A 36 78.142 -12.317 -26.342 1.00 0.00 C ATOM 562 C MET A 36 79.637 -12.362 -26.630 1.00 0.00 C ATOM 563 O MET A 36 80.359 -13.179 -26.060 1.00 0.00 O ATOM 564 CB MET A 36 77.832 -11.034 -25.564 1.00 0.00 C ATOM 565 CG MET A 36 76.321 -10.854 -25.426 1.00 0.00 C ATOM 566 SD MET A 36 75.977 -9.203 -24.767 1.00 0.00 S ATOM 567 CE MET A 36 76.497 -8.256 -26.221 1.00 0.00 C ATOM 0 H MET A 36 78.513 -13.953 -25.080 1.00 0.00 H new ATOM 0 HA MET A 36 77.577 -12.315 -27.274 1.00 0.00 H new ATOM 0 HB2 MET A 36 78.292 -11.078 -24.577 1.00 0.00 H new ATOM 0 HB3 MET A 36 78.263 -10.175 -26.078 1.00 0.00 H new ATOM 0 HG2 MET A 36 75.838 -10.980 -26.395 1.00 0.00 H new ATOM 0 HG3 MET A 36 75.911 -11.616 -24.763 1.00 0.00 H new ATOM 0 HE1 MET A 36 75.750 -7.494 -26.445 1.00 0.00 H new ATOM 0 HE2 MET A 36 77.455 -7.777 -26.020 1.00 0.00 H new ATOM 0 HE3 MET A 36 76.599 -8.926 -27.074 1.00 0.00 H new ATOM 577 N SER A 37 80.103 -11.473 -27.500 1.00 0.00 N ATOM 578 CA SER A 37 81.522 -11.432 -27.818 1.00 0.00 C ATOM 579 C SER A 37 82.322 -11.314 -26.525 1.00 0.00 C ATOM 580 O SER A 37 82.410 -10.237 -25.935 1.00 0.00 O ATOM 581 CB SER A 37 81.823 -10.237 -28.722 1.00 0.00 C ATOM 582 OG SER A 37 81.186 -10.427 -29.979 1.00 0.00 O ATOM 0 H SER A 37 79.531 -10.784 -27.988 1.00 0.00 H new ATOM 0 HA SER A 37 81.801 -12.347 -28.341 1.00 0.00 H new ATOM 0 HB2 SER A 37 81.469 -9.317 -28.257 1.00 0.00 H new ATOM 0 HB3 SER A 37 82.899 -10.132 -28.859 1.00 0.00 H new ATOM 0 HG SER A 37 81.376 -9.662 -30.561 1.00 0.00 H new ATOM 588 N LEU A 38 82.886 -12.430 -26.080 1.00 0.00 N ATOM 589 CA LEU A 38 83.658 -12.445 -24.842 1.00 0.00 C ATOM 590 C LEU A 38 85.132 -12.725 -25.136 1.00 0.00 C ATOM 591 O LEU A 38 85.463 -13.233 -26.204 1.00 0.00 O ATOM 592 CB LEU A 38 83.100 -13.528 -23.906 1.00 0.00 C ATOM 593 CG LEU A 38 82.209 -12.896 -22.828 1.00 0.00 C ATOM 594 CD1 LEU A 38 80.915 -12.382 -23.462 1.00 0.00 C ATOM 595 CD2 LEU A 38 81.865 -13.950 -21.773 1.00 0.00 C ATOM 0 H LEU A 38 82.825 -13.331 -26.554 1.00 0.00 H new ATOM 0 HA LEU A 38 83.578 -11.469 -24.362 1.00 0.00 H new ATOM 0 HB2 LEU A 38 82.526 -14.254 -24.481 1.00 0.00 H new ATOM 0 HB3 LEU A 38 83.921 -14.070 -23.437 1.00 0.00 H new ATOM 0 HG LEU A 38 82.741 -12.066 -22.364 1.00 0.00 H new ATOM 0 HD11 LEU A 38 80.286 -11.934 -22.693 1.00 0.00 H new ATOM 0 HD12 LEU A 38 81.153 -11.633 -24.218 1.00 0.00 H new ATOM 0 HD13 LEU A 38 80.383 -13.212 -23.928 1.00 0.00 H new ATOM 0 HD21 LEU A 38 81.232 -13.504 -21.006 1.00 0.00 H new ATOM 0 HD22 LEU A 38 81.335 -14.777 -22.245 1.00 0.00 H new ATOM 0 HD23 LEU A 38 82.783 -14.320 -21.316 1.00 0.00 H new ATOM 607 N PRO A 39 86.005 -12.401 -24.211 1.00 0.00 N ATOM 608 CA PRO A 39 87.483 -12.616 -24.341 1.00 0.00 C ATOM 609 C PRO A 39 87.863 -13.901 -25.082 1.00 0.00 C ATOM 610 O PRO A 39 87.478 -14.117 -26.229 1.00 0.00 O ATOM 611 CB PRO A 39 87.932 -12.665 -22.883 1.00 0.00 C ATOM 612 CG PRO A 39 87.023 -11.718 -22.177 1.00 0.00 C ATOM 613 CD PRO A 39 85.680 -11.773 -22.913 1.00 0.00 C ATOM 0 HA PRO A 39 87.958 -11.837 -24.938 1.00 0.00 H new ATOM 0 HB2 PRO A 39 87.848 -13.673 -22.476 1.00 0.00 H new ATOM 0 HB3 PRO A 39 88.975 -12.365 -22.779 1.00 0.00 H new ATOM 0 HG2 PRO A 39 86.904 -12.001 -21.131 1.00 0.00 H new ATOM 0 HG3 PRO A 39 87.431 -10.707 -22.189 1.00 0.00 H new ATOM 0 HD2 PRO A 39 84.946 -12.359 -22.360 1.00 0.00 H new ATOM 0 HD3 PRO A 39 85.258 -10.777 -23.047 1.00 0.00 H new ATOM 621 N GLY A 40 88.637 -14.742 -24.417 1.00 0.00 N ATOM 622 CA GLY A 40 89.076 -15.999 -25.011 1.00 0.00 C ATOM 623 C GLY A 40 89.308 -17.049 -23.931 1.00 0.00 C ATOM 624 O GLY A 40 90.255 -17.831 -24.005 1.00 0.00 O ATOM 0 H GLY A 40 88.975 -14.580 -23.468 1.00 0.00 H new ATOM 0 HA2 GLY A 40 88.326 -16.355 -25.717 1.00 0.00 H new ATOM 0 HA3 GLY A 40 89.995 -15.840 -25.575 1.00 0.00 H new ATOM 628 N ARG A 41 88.433 -17.061 -22.930 1.00 0.00 N ATOM 629 CA ARG A 41 88.551 -18.024 -21.840 1.00 0.00 C ATOM 630 C ARG A 41 87.185 -18.594 -21.473 1.00 0.00 C ATOM 631 O ARG A 41 86.298 -17.867 -21.028 1.00 0.00 O ATOM 632 CB ARG A 41 89.173 -17.347 -20.617 1.00 0.00 C ATOM 633 CG ARG A 41 89.377 -18.380 -19.507 1.00 0.00 C ATOM 634 CD ARG A 41 89.971 -17.689 -18.276 1.00 0.00 C ATOM 635 NE ARG A 41 90.368 -18.677 -17.263 1.00 0.00 N ATOM 636 CZ ARG A 41 89.532 -19.600 -16.790 1.00 0.00 C ATOM 637 NH1 ARG A 41 88.260 -19.556 -17.079 1.00 0.00 N ATOM 638 NH2 ARG A 41 89.978 -20.524 -15.984 1.00 0.00 N ATOM 0 H ARG A 41 87.642 -16.422 -22.851 1.00 0.00 H new ATOM 0 HA ARG A 41 89.191 -18.842 -22.169 1.00 0.00 H new ATOM 0 HB2 ARG A 41 90.127 -16.894 -20.886 1.00 0.00 H new ATOM 0 HB3 ARG A 41 88.526 -16.543 -20.265 1.00 0.00 H new ATOM 0 HG2 ARG A 41 88.427 -18.849 -19.252 1.00 0.00 H new ATOM 0 HG3 ARG A 41 90.042 -19.173 -19.850 1.00 0.00 H new ATOM 0 HD2 ARG A 41 90.836 -17.095 -18.569 1.00 0.00 H new ATOM 0 HD3 ARG A 41 89.240 -17.000 -17.852 1.00 0.00 H new ATOM 0 HE ARG A 41 91.324 -18.655 -16.907 1.00 0.00 H new ATOM 0 HH11 ARG A 41 87.897 -18.810 -17.672 1.00 0.00 H new ATOM 0 HH12 ARG A 41 87.629 -20.268 -16.712 1.00 0.00 H new ATOM 0 HH21 ARG A 41 90.963 -20.537 -15.719 1.00 0.00 H new ATOM 0 HH22 ARG A 41 89.342 -21.233 -15.619 1.00 0.00 H new ATOM 652 N TRP A 42 87.025 -19.899 -21.658 1.00 0.00 N ATOM 653 CA TRP A 42 85.765 -20.559 -21.337 1.00 0.00 C ATOM 654 C TRP A 42 86.002 -22.029 -21.005 1.00 0.00 C ATOM 655 O TRP A 42 87.045 -22.590 -21.341 1.00 0.00 O ATOM 656 CB TRP A 42 84.800 -20.450 -22.520 1.00 0.00 C ATOM 657 CG TRP A 42 85.293 -21.298 -23.649 1.00 0.00 C ATOM 658 CD1 TRP A 42 86.117 -20.876 -24.634 1.00 0.00 C ATOM 659 CD2 TRP A 42 85.012 -22.701 -23.924 1.00 0.00 C ATOM 660 NE1 TRP A 42 86.360 -21.929 -25.498 1.00 0.00 N ATOM 661 CE2 TRP A 42 85.701 -23.076 -25.102 1.00 0.00 C ATOM 662 CE3 TRP A 42 84.234 -23.676 -23.273 1.00 0.00 C ATOM 663 CZ2 TRP A 42 85.621 -24.372 -25.616 1.00 0.00 C ATOM 664 CZ3 TRP A 42 84.151 -24.980 -23.788 1.00 0.00 C ATOM 665 CH2 TRP A 42 84.842 -25.326 -24.956 1.00 0.00 C ATOM 0 H TRP A 42 87.747 -20.518 -22.026 1.00 0.00 H new ATOM 0 HA TRP A 42 85.329 -20.066 -20.468 1.00 0.00 H new ATOM 0 HB2 TRP A 42 83.803 -20.771 -22.219 1.00 0.00 H new ATOM 0 HB3 TRP A 42 84.718 -19.412 -22.841 1.00 0.00 H new ATOM 0 HD1 TRP A 42 86.520 -19.879 -24.731 1.00 0.00 H new ATOM 0 HE1 TRP A 42 86.953 -21.866 -26.326 1.00 0.00 H new ATOM 0 HE3 TRP A 42 83.697 -23.420 -22.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 86.157 -24.635 -26.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 83.551 -25.720 -23.280 1.00 0.00 H new ATOM 0 HH2 TRP A 42 84.773 -26.330 -25.347 1.00 0.00 H new ATOM 676 N LYS A 43 85.026 -22.652 -20.352 1.00 0.00 N ATOM 677 CA LYS A 43 85.147 -24.060 -19.996 1.00 0.00 C ATOM 678 C LYS A 43 83.778 -24.741 -20.040 1.00 0.00 C ATOM 679 O LYS A 43 82.754 -24.104 -19.784 1.00 0.00 O ATOM 680 CB LYS A 43 85.749 -24.199 -18.595 1.00 0.00 C ATOM 681 CG LYS A 43 87.277 -24.213 -18.695 1.00 0.00 C ATOM 682 CD LYS A 43 87.880 -24.452 -17.309 1.00 0.00 C ATOM 683 CE LYS A 43 89.217 -25.182 -17.454 1.00 0.00 C ATOM 684 NZ LYS A 43 90.036 -24.516 -18.507 1.00 0.00 N ATOM 0 H LYS A 43 84.153 -22.210 -20.062 1.00 0.00 H new ATOM 0 HA LYS A 43 85.805 -24.544 -20.718 1.00 0.00 H new ATOM 0 HB2 LYS A 43 85.423 -23.372 -17.964 1.00 0.00 H new ATOM 0 HB3 LYS A 43 85.396 -25.117 -18.125 1.00 0.00 H new ATOM 0 HG2 LYS A 43 87.599 -24.995 -19.383 1.00 0.00 H new ATOM 0 HG3 LYS A 43 87.634 -23.266 -19.099 1.00 0.00 H new ATOM 0 HD2 LYS A 43 88.026 -23.502 -16.795 1.00 0.00 H new ATOM 0 HD3 LYS A 43 87.195 -25.042 -16.700 1.00 0.00 H new ATOM 0 HE2 LYS A 43 89.752 -25.176 -16.504 1.00 0.00 H new ATOM 0 HE3 LYS A 43 89.047 -26.226 -17.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 91.043 -24.717 -18.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 89.759 -24.877 -19.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 89.878 -23.489 -18.472 1.00 0.00 H new ATOM 698 N PRO A 44 83.740 -26.012 -20.363 1.00 0.00 N ATOM 699 CA PRO A 44 82.463 -26.783 -20.444 1.00 0.00 C ATOM 700 C PRO A 44 81.837 -27.028 -19.073 1.00 0.00 C ATOM 701 O PRO A 44 82.527 -27.382 -18.118 1.00 0.00 O ATOM 702 CB PRO A 44 82.877 -28.106 -21.095 1.00 0.00 C ATOM 703 CG PRO A 44 84.325 -28.267 -20.773 1.00 0.00 C ATOM 704 CD PRO A 44 84.906 -26.857 -20.680 1.00 0.00 C ATOM 0 HA PRO A 44 81.701 -26.242 -21.005 1.00 0.00 H new ATOM 0 HB2 PRO A 44 82.292 -28.938 -20.702 1.00 0.00 H new ATOM 0 HB3 PRO A 44 82.714 -28.082 -22.172 1.00 0.00 H new ATOM 0 HG2 PRO A 44 84.456 -28.804 -19.834 1.00 0.00 H new ATOM 0 HG3 PRO A 44 84.832 -28.846 -21.545 1.00 0.00 H new ATOM 0 HD2 PRO A 44 85.670 -26.790 -19.905 1.00 0.00 H new ATOM 0 HD3 PRO A 44 85.375 -26.556 -21.617 1.00 0.00 H new ATOM 712 N LYS A 45 80.521 -26.852 -18.991 1.00 0.00 N ATOM 713 CA LYS A 45 79.797 -27.072 -17.743 1.00 0.00 C ATOM 714 C LYS A 45 78.375 -27.538 -18.053 1.00 0.00 C ATOM 715 O LYS A 45 77.734 -27.013 -18.963 1.00 0.00 O ATOM 716 CB LYS A 45 79.757 -25.784 -16.915 1.00 0.00 C ATOM 717 CG LYS A 45 79.097 -26.067 -15.561 1.00 0.00 C ATOM 718 CD LYS A 45 79.010 -24.771 -14.751 1.00 0.00 C ATOM 719 CE LYS A 45 78.451 -25.076 -13.359 1.00 0.00 C ATOM 720 NZ LYS A 45 79.568 -25.123 -12.373 1.00 0.00 N ATOM 0 H LYS A 45 79.935 -26.558 -19.773 1.00 0.00 H new ATOM 0 HA LYS A 45 80.312 -27.839 -17.165 1.00 0.00 H new ATOM 0 HB2 LYS A 45 80.767 -25.403 -16.766 1.00 0.00 H new ATOM 0 HB3 LYS A 45 79.201 -25.013 -17.449 1.00 0.00 H new ATOM 0 HG2 LYS A 45 78.100 -26.482 -15.711 1.00 0.00 H new ATOM 0 HG3 LYS A 45 79.673 -26.812 -15.013 1.00 0.00 H new ATOM 0 HD2 LYS A 45 79.997 -24.315 -14.667 1.00 0.00 H new ATOM 0 HD3 LYS A 45 78.370 -24.052 -15.262 1.00 0.00 H new ATOM 0 HE2 LYS A 45 77.729 -24.312 -13.070 1.00 0.00 H new ATOM 0 HE3 LYS A 45 77.921 -26.028 -13.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 79.188 -25.330 -11.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 80.241 -25.867 -12.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 80.055 -24.204 -12.356 1.00 0.00 H new ATOM 734 N MET A 46 77.885 -28.522 -17.305 1.00 0.00 N ATOM 735 CA MET A 46 76.535 -29.032 -17.535 1.00 0.00 C ATOM 736 C MET A 46 75.619 -28.707 -16.362 1.00 0.00 C ATOM 737 O MET A 46 76.043 -28.711 -15.206 1.00 0.00 O ATOM 738 CB MET A 46 76.579 -30.545 -17.757 1.00 0.00 C ATOM 739 CG MET A 46 77.220 -30.834 -19.114 1.00 0.00 C ATOM 740 SD MET A 46 77.176 -32.612 -19.443 1.00 0.00 S ATOM 741 CE MET A 46 78.720 -33.033 -18.601 1.00 0.00 C ATOM 0 H MET A 46 78.392 -28.977 -16.546 1.00 0.00 H new ATOM 0 HA MET A 46 76.135 -28.546 -18.425 1.00 0.00 H new ATOM 0 HB2 MET A 46 77.150 -31.025 -16.962 1.00 0.00 H new ATOM 0 HB3 MET A 46 75.572 -30.960 -17.721 1.00 0.00 H new ATOM 0 HG2 MET A 46 76.690 -30.296 -19.900 1.00 0.00 H new ATOM 0 HG3 MET A 46 78.250 -30.478 -19.124 1.00 0.00 H new ATOM 0 HE1 MET A 46 78.896 -34.106 -18.679 1.00 0.00 H new ATOM 0 HE2 MET A 46 79.546 -32.495 -19.065 1.00 0.00 H new ATOM 0 HE3 MET A 46 78.649 -32.753 -17.550 1.00 0.00 H new ATOM 751 N ILE A 47 74.357 -28.428 -16.673 1.00 0.00 N ATOM 752 CA ILE A 47 73.376 -28.101 -15.643 1.00 0.00 C ATOM 753 C ILE A 47 72.085 -28.883 -15.866 1.00 0.00 C ATOM 754 O ILE A 47 71.714 -29.175 -17.004 1.00 0.00 O ATOM 755 CB ILE A 47 73.083 -26.600 -15.663 1.00 0.00 C ATOM 756 CG1 ILE A 47 72.182 -26.243 -14.479 1.00 0.00 C ATOM 757 CG2 ILE A 47 72.379 -26.235 -16.969 1.00 0.00 C ATOM 758 CD1 ILE A 47 72.201 -24.728 -14.266 1.00 0.00 C ATOM 0 H ILE A 47 73.990 -28.422 -17.625 1.00 0.00 H new ATOM 0 HA ILE A 47 73.787 -28.376 -14.671 1.00 0.00 H new ATOM 0 HB ILE A 47 74.018 -26.045 -15.589 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.163 -26.582 -14.667 1.00 0.00 H new ATOM 0 HG13 ILE A 47 72.526 -26.752 -13.579 1.00 0.00 H new ATOM 0 HG21 ILE A 47 72.170 -25.165 -16.983 1.00 0.00 H new ATOM 0 HG22 ILE A 47 73.021 -26.491 -17.812 1.00 0.00 H new ATOM 0 HG23 ILE A 47 71.443 -26.788 -17.045 1.00 0.00 H new ATOM 0 HD11 ILE A 47 71.560 -24.471 -13.423 1.00 0.00 H new ATOM 0 HD12 ILE A 47 73.220 -24.402 -14.059 1.00 0.00 H new ATOM 0 HD13 ILE A 47 71.836 -24.230 -15.164 1.00 0.00 H new ATOM 770 N GLY A 48 71.403 -29.216 -14.774 1.00 0.00 N ATOM 771 CA GLY A 48 70.152 -29.962 -14.865 1.00 0.00 C ATOM 772 C GLY A 48 68.993 -29.165 -14.275 1.00 0.00 C ATOM 773 O GLY A 48 69.176 -28.382 -13.342 1.00 0.00 O ATOM 0 H GLY A 48 71.692 -28.984 -13.824 1.00 0.00 H new ATOM 0 HA2 GLY A 48 69.941 -30.198 -15.908 1.00 0.00 H new ATOM 0 HA3 GLY A 48 70.251 -30.910 -14.337 1.00 0.00 H new ATOM 777 N GLY A 49 67.801 -29.370 -14.825 1.00 0.00 N ATOM 778 CA GLY A 49 66.616 -28.665 -14.350 1.00 0.00 C ATOM 779 C GLY A 49 65.473 -28.788 -15.353 1.00 0.00 C ATOM 780 O GLY A 49 64.580 -29.620 -15.192 1.00 0.00 O ATOM 0 H GLY A 49 67.630 -30.015 -15.596 1.00 0.00 H new ATOM 0 HA2 GLY A 49 66.306 -29.072 -13.388 1.00 0.00 H new ATOM 0 HA3 GLY A 49 66.853 -27.613 -14.189 1.00 0.00 H new ATOM 784 N ILE A 50 65.508 -27.954 -16.387 1.00 0.00 N ATOM 785 CA ILE A 50 64.470 -27.979 -17.410 1.00 0.00 C ATOM 786 C ILE A 50 65.070 -28.357 -18.761 1.00 0.00 C ATOM 787 O ILE A 50 66.121 -27.849 -19.148 1.00 0.00 O ATOM 788 CB ILE A 50 63.808 -26.604 -17.508 1.00 0.00 C ATOM 789 CG1 ILE A 50 62.646 -26.662 -18.506 1.00 0.00 C ATOM 790 CG2 ILE A 50 64.835 -25.575 -17.984 1.00 0.00 C ATOM 791 CD1 ILE A 50 61.856 -25.351 -18.460 1.00 0.00 C ATOM 0 H ILE A 50 66.238 -27.258 -16.538 1.00 0.00 H new ATOM 0 HA ILE A 50 63.722 -28.723 -17.135 1.00 0.00 H new ATOM 0 HB ILE A 50 63.430 -26.315 -16.527 1.00 0.00 H new ATOM 0 HG12 ILE A 50 63.028 -26.832 -19.513 1.00 0.00 H new ATOM 0 HG13 ILE A 50 61.991 -27.500 -18.267 1.00 0.00 H new ATOM 0 HG21 ILE A 50 64.363 -24.595 -18.054 1.00 0.00 H new ATOM 0 HG22 ILE A 50 65.661 -25.530 -17.274 1.00 0.00 H new ATOM 0 HG23 ILE A 50 65.214 -25.866 -18.964 1.00 0.00 H new ATOM 0 HD11 ILE A 50 61.031 -25.398 -19.171 1.00 0.00 H new ATOM 0 HD12 ILE A 50 61.461 -25.200 -17.456 1.00 0.00 H new ATOM 0 HD13 ILE A 50 62.513 -24.521 -18.720 1.00 0.00 H new ATOM 803 N GLY A 51 64.397 -29.258 -19.470 1.00 0.00 N ATOM 804 CA GLY A 51 64.879 -29.701 -20.772 1.00 0.00 C ATOM 805 C GLY A 51 66.013 -30.708 -20.613 1.00 0.00 C ATOM 806 O GLY A 51 66.921 -30.773 -21.443 1.00 0.00 O ATOM 0 H GLY A 51 63.525 -29.692 -19.168 1.00 0.00 H new ATOM 0 HA2 GLY A 51 64.061 -30.152 -21.334 1.00 0.00 H new ATOM 0 HA3 GLY A 51 65.226 -28.843 -21.348 1.00 0.00 H new ATOM 810 N GLY A 52 65.956 -31.490 -19.539 1.00 0.00 N ATOM 811 CA GLY A 52 66.986 -32.490 -19.276 1.00 0.00 C ATOM 812 C GLY A 52 68.312 -31.827 -18.922 1.00 0.00 C ATOM 813 O GLY A 52 68.365 -30.944 -18.066 1.00 0.00 O ATOM 0 H GLY A 52 65.213 -31.452 -18.841 1.00 0.00 H new ATOM 0 HA2 GLY A 52 66.669 -33.137 -18.458 1.00 0.00 H new ATOM 0 HA3 GLY A 52 67.115 -33.124 -20.153 1.00 0.00 H new ATOM 817 N PHE A 53 69.378 -32.254 -19.589 1.00 0.00 N ATOM 818 CA PHE A 53 70.698 -31.690 -19.340 1.00 0.00 C ATOM 819 C PHE A 53 71.150 -30.853 -20.532 1.00 0.00 C ATOM 820 O PHE A 53 71.045 -31.288 -21.679 1.00 0.00 O ATOM 821 CB PHE A 53 71.708 -32.812 -19.094 1.00 0.00 C ATOM 822 CG PHE A 53 71.293 -33.606 -17.881 1.00 0.00 C ATOM 823 CD1 PHE A 53 71.695 -33.197 -16.603 1.00 0.00 C ATOM 824 CD2 PHE A 53 70.504 -34.751 -18.033 1.00 0.00 C ATOM 825 CE1 PHE A 53 71.309 -33.935 -15.478 1.00 0.00 C ATOM 826 CE2 PHE A 53 70.117 -35.490 -16.908 1.00 0.00 C ATOM 827 CZ PHE A 53 70.519 -35.081 -15.631 1.00 0.00 C ATOM 0 H PHE A 53 69.355 -32.984 -20.301 1.00 0.00 H new ATOM 0 HA PHE A 53 70.642 -31.053 -18.458 1.00 0.00 H new ATOM 0 HB2 PHE A 53 71.764 -33.463 -19.966 1.00 0.00 H new ATOM 0 HB3 PHE A 53 72.703 -32.393 -18.945 1.00 0.00 H new ATOM 0 HD1 PHE A 53 72.303 -32.312 -16.486 1.00 0.00 H new ATOM 0 HD2 PHE A 53 70.193 -35.065 -19.018 1.00 0.00 H new ATOM 0 HE1 PHE A 53 71.620 -33.621 -14.493 1.00 0.00 H new ATOM 0 HE2 PHE A 53 69.509 -36.375 -17.026 1.00 0.00 H new ATOM 0 HZ PHE A 53 70.220 -35.650 -14.763 1.00 0.00 H new ATOM 837 N ILE A 54 71.647 -29.653 -20.258 1.00 0.00 N ATOM 838 CA ILE A 54 72.106 -28.769 -21.324 1.00 0.00 C ATOM 839 C ILE A 54 73.547 -28.335 -21.080 1.00 0.00 C ATOM 840 O ILE A 54 73.977 -28.193 -19.933 1.00 0.00 O ATOM 841 CB ILE A 54 71.205 -27.537 -21.403 1.00 0.00 C ATOM 842 CG1 ILE A 54 71.603 -26.694 -22.617 1.00 0.00 C ATOM 843 CG2 ILE A 54 71.366 -26.707 -20.130 1.00 0.00 C ATOM 844 CD1 ILE A 54 70.435 -25.791 -23.019 1.00 0.00 C ATOM 0 H ILE A 54 71.742 -29.272 -19.317 1.00 0.00 H new ATOM 0 HA ILE A 54 72.060 -29.314 -22.267 1.00 0.00 H new ATOM 0 HB ILE A 54 70.166 -27.850 -21.503 1.00 0.00 H new ATOM 0 HG12 ILE A 54 72.479 -26.090 -22.381 1.00 0.00 H new ATOM 0 HG13 ILE A 54 71.878 -27.343 -23.449 1.00 0.00 H new ATOM 0 HG21 ILE A 54 70.724 -25.828 -20.185 1.00 0.00 H new ATOM 0 HG22 ILE A 54 71.085 -27.308 -19.266 1.00 0.00 H new ATOM 0 HG23 ILE A 54 72.405 -26.392 -20.030 1.00 0.00 H new ATOM 0 HD11 ILE A 54 70.720 -25.191 -23.884 1.00 0.00 H new ATOM 0 HD12 ILE A 54 69.571 -26.405 -23.272 1.00 0.00 H new ATOM 0 HD13 ILE A 54 70.181 -25.133 -22.188 1.00 0.00 H new ATOM 856 N LYS A 55 74.291 -28.124 -22.162 1.00 0.00 N ATOM 857 CA LYS A 55 75.683 -27.704 -22.051 1.00 0.00 C ATOM 858 C LYS A 55 75.790 -26.182 -22.076 1.00 0.00 C ATOM 859 O LYS A 55 75.256 -25.527 -22.971 1.00 0.00 O ATOM 860 CB LYS A 55 76.502 -28.287 -23.209 1.00 0.00 C ATOM 861 CG LYS A 55 76.544 -29.813 -23.101 1.00 0.00 C ATOM 862 CD LYS A 55 77.473 -30.374 -24.182 1.00 0.00 C ATOM 863 CE LYS A 55 77.446 -31.903 -24.137 1.00 0.00 C ATOM 864 NZ LYS A 55 76.498 -32.415 -25.167 1.00 0.00 N ATOM 0 H LYS A 55 73.956 -28.236 -23.119 1.00 0.00 H new ATOM 0 HA LYS A 55 76.075 -28.072 -21.103 1.00 0.00 H new ATOM 0 HB2 LYS A 55 76.061 -27.993 -24.162 1.00 0.00 H new ATOM 0 HB3 LYS A 55 77.515 -27.884 -23.189 1.00 0.00 H new ATOM 0 HG2 LYS A 55 76.897 -30.109 -22.113 1.00 0.00 H new ATOM 0 HG3 LYS A 55 75.542 -30.225 -23.218 1.00 0.00 H new ATOM 0 HD2 LYS A 55 77.158 -30.023 -25.165 1.00 0.00 H new ATOM 0 HD3 LYS A 55 78.490 -30.013 -24.026 1.00 0.00 H new ATOM 0 HE2 LYS A 55 78.445 -32.300 -24.318 1.00 0.00 H new ATOM 0 HE3 LYS A 55 77.142 -32.243 -23.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 76.480 -33.454 -25.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 75.545 -32.046 -24.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 76.807 -32.102 -26.109 1.00 0.00 H new ATOM 878 N VAL A 56 76.490 -25.627 -21.091 1.00 0.00 N ATOM 879 CA VAL A 56 76.670 -24.181 -21.008 1.00 0.00 C ATOM 880 C VAL A 56 78.145 -23.842 -20.827 1.00 0.00 C ATOM 881 O VAL A 56 78.950 -24.709 -20.485 1.00 0.00 O ATOM 882 CB VAL A 56 75.866 -23.613 -19.835 1.00 0.00 C ATOM 883 CG1 VAL A 56 74.387 -23.961 -20.008 1.00 0.00 C ATOM 884 CG2 VAL A 56 76.377 -24.214 -18.525 1.00 0.00 C ATOM 0 H VAL A 56 76.940 -26.154 -20.342 1.00 0.00 H new ATOM 0 HA VAL A 56 76.312 -23.735 -21.936 1.00 0.00 H new ATOM 0 HB VAL A 56 75.984 -22.530 -19.810 1.00 0.00 H new ATOM 0 HG11 VAL A 56 73.818 -23.555 -19.172 1.00 0.00 H new ATOM 0 HG12 VAL A 56 74.019 -23.532 -20.940 1.00 0.00 H new ATOM 0 HG13 VAL A 56 74.269 -25.044 -20.036 1.00 0.00 H new ATOM 0 HG21 VAL A 56 75.804 -23.809 -17.691 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.262 -25.298 -18.552 1.00 0.00 H new ATOM 0 HG23 VAL A 56 77.430 -23.965 -18.397 1.00 0.00 H new ATOM 894 N ARG A 57 78.498 -22.582 -21.057 1.00 0.00 N ATOM 895 CA ARG A 57 79.886 -22.157 -20.913 1.00 0.00 C ATOM 896 C ARG A 57 80.033 -21.191 -19.743 1.00 0.00 C ATOM 897 O ARG A 57 79.167 -20.349 -19.506 1.00 0.00 O ATOM 898 CB ARG A 57 80.365 -21.479 -22.199 1.00 0.00 C ATOM 899 CG ARG A 57 80.340 -22.489 -23.347 1.00 0.00 C ATOM 900 CD ARG A 57 80.938 -21.848 -24.601 1.00 0.00 C ATOM 901 NE ARG A 57 80.593 -22.629 -25.796 1.00 0.00 N ATOM 902 CZ ARG A 57 80.807 -23.941 -25.881 1.00 0.00 C ATOM 903 NH1 ARG A 57 81.512 -24.560 -24.974 1.00 0.00 N ATOM 904 NH2 ARG A 57 80.357 -24.604 -26.911 1.00 0.00 N ATOM 0 H ARG A 57 77.852 -21.845 -21.340 1.00 0.00 H new ATOM 0 HA ARG A 57 80.496 -23.040 -20.720 1.00 0.00 H new ATOM 0 HB2 ARG A 57 79.725 -20.629 -22.435 1.00 0.00 H new ATOM 0 HB3 ARG A 57 81.374 -21.091 -22.064 1.00 0.00 H new ATOM 0 HG2 ARG A 57 80.907 -23.380 -23.075 1.00 0.00 H new ATOM 0 HG3 ARG A 57 79.317 -22.810 -23.542 1.00 0.00 H new ATOM 0 HD2 ARG A 57 80.567 -20.828 -24.707 1.00 0.00 H new ATOM 0 HD3 ARG A 57 82.022 -21.784 -24.502 1.00 0.00 H new ATOM 0 HE ARG A 57 80.173 -22.148 -26.592 1.00 0.00 H new ATOM 0 HH11 ARG A 57 81.905 -24.039 -24.190 1.00 0.00 H new ATOM 0 HH12 ARG A 57 81.670 -25.565 -25.049 1.00 0.00 H new ATOM 0 HH21 ARG A 57 79.844 -24.117 -27.646 1.00 0.00 H new ATOM 0 HH22 ARG A 57 80.518 -25.609 -26.981 1.00 0.00 H new ATOM 918 N GLN A 58 81.132 -21.327 -19.011 1.00 0.00 N ATOM 919 CA GLN A 58 81.383 -20.468 -17.860 1.00 0.00 C ATOM 920 C GLN A 58 82.654 -19.651 -18.059 1.00 0.00 C ATOM 921 O GLN A 58 83.663 -20.165 -18.541 1.00 0.00 O ATOM 922 CB GLN A 58 81.513 -21.325 -16.598 1.00 0.00 C ATOM 923 CG GLN A 58 82.732 -22.242 -16.722 1.00 0.00 C ATOM 924 CD GLN A 58 82.830 -23.144 -15.497 1.00 0.00 C ATOM 925 OE1 GLN A 58 82.312 -22.806 -14.432 1.00 0.00 O ATOM 926 NE2 GLN A 58 83.463 -24.282 -15.583 1.00 0.00 N ATOM 0 H GLN A 58 81.859 -22.019 -19.192 1.00 0.00 H new ATOM 0 HA GLN A 58 80.545 -19.780 -17.753 1.00 0.00 H new ATOM 0 HB2 GLN A 58 81.614 -20.686 -15.721 1.00 0.00 H new ATOM 0 HB3 GLN A 58 80.611 -21.920 -16.456 1.00 0.00 H new ATOM 0 HG2 GLN A 58 82.652 -22.848 -17.625 1.00 0.00 H new ATOM 0 HG3 GLN A 58 83.639 -21.645 -16.818 1.00 0.00 H new ATOM 0 HE21 GLN A 58 83.892 -24.562 -16.465 1.00 0.00 H new ATOM 0 HE22 GLN A 58 83.529 -24.892 -14.768 1.00 0.00 H new ATOM 935 N TYR A 59 82.602 -18.376 -17.683 1.00 0.00 N ATOM 936 CA TYR A 59 83.764 -17.506 -17.825 1.00 0.00 C ATOM 937 C TYR A 59 84.201 -16.980 -16.463 1.00 0.00 C ATOM 938 O TYR A 59 83.371 -16.561 -15.657 1.00 0.00 O ATOM 939 CB TYR A 59 83.430 -16.334 -18.748 1.00 0.00 C ATOM 940 CG TYR A 59 83.189 -16.841 -20.151 1.00 0.00 C ATOM 941 CD1 TYR A 59 82.043 -17.593 -20.440 1.00 0.00 C ATOM 942 CD2 TYR A 59 84.111 -16.554 -21.165 1.00 0.00 C ATOM 943 CE1 TYR A 59 81.821 -18.057 -21.742 1.00 0.00 C ATOM 944 CE2 TYR A 59 83.889 -17.020 -22.467 1.00 0.00 C ATOM 945 CZ TYR A 59 82.744 -17.770 -22.755 1.00 0.00 C ATOM 946 OH TYR A 59 82.525 -18.230 -24.038 1.00 0.00 O ATOM 0 H TYR A 59 81.778 -17.927 -17.283 1.00 0.00 H new ATOM 0 HA TYR A 59 84.580 -18.083 -18.259 1.00 0.00 H new ATOM 0 HB2 TYR A 59 82.545 -15.812 -18.383 1.00 0.00 H new ATOM 0 HB3 TYR A 59 84.248 -15.614 -18.747 1.00 0.00 H new ATOM 0 HD1 TYR A 59 81.331 -17.815 -19.659 1.00 0.00 H new ATOM 0 HD2 TYR A 59 84.994 -15.973 -20.943 1.00 0.00 H new ATOM 0 HE1 TYR A 59 80.937 -18.637 -21.965 1.00 0.00 H new ATOM 0 HE2 TYR A 59 84.602 -16.800 -23.248 1.00 0.00 H new ATOM 0 HH TYR A 59 83.260 -17.942 -24.619 1.00 0.00 H new ATOM 956 N ASP A 60 85.505 -17.018 -16.203 1.00 0.00 N ATOM 957 CA ASP A 60 86.026 -16.553 -14.922 1.00 0.00 C ATOM 958 C ASP A 60 87.054 -15.440 -15.107 1.00 0.00 C ATOM 959 O ASP A 60 87.500 -15.163 -16.220 1.00 0.00 O ATOM 960 CB ASP A 60 86.676 -17.719 -14.172 1.00 0.00 C ATOM 961 CG ASP A 60 85.628 -18.771 -13.831 1.00 0.00 C ATOM 962 OD1 ASP A 60 84.455 -18.481 -13.990 1.00 0.00 O ATOM 963 OD2 ASP A 60 86.014 -19.854 -13.421 1.00 0.00 O ATOM 0 H ASP A 60 86.212 -17.361 -16.853 1.00 0.00 H new ATOM 0 HA ASP A 60 85.189 -16.157 -14.347 1.00 0.00 H new ATOM 0 HB2 ASP A 60 87.462 -18.162 -14.784 1.00 0.00 H new ATOM 0 HB3 ASP A 60 87.149 -17.356 -13.259 1.00 0.00 H new ATOM 968 N GLN A 61 87.425 -14.817 -13.992 1.00 0.00 N ATOM 969 CA GLN A 61 88.409 -13.737 -13.991 1.00 0.00 C ATOM 970 C GLN A 61 87.928 -12.526 -14.789 1.00 0.00 C ATOM 971 O GLN A 61 88.720 -11.862 -15.458 1.00 0.00 O ATOM 972 CB GLN A 61 89.737 -14.237 -14.568 1.00 0.00 C ATOM 973 CG GLN A 61 90.241 -15.418 -13.739 1.00 0.00 C ATOM 974 CD GLN A 61 91.629 -15.837 -14.214 1.00 0.00 C ATOM 975 OE1 GLN A 61 92.232 -16.748 -13.648 1.00 0.00 O ATOM 976 NE2 GLN A 61 92.175 -15.221 -15.227 1.00 0.00 N ATOM 0 H GLN A 61 87.055 -15.044 -13.069 1.00 0.00 H new ATOM 0 HA GLN A 61 88.549 -13.423 -12.957 1.00 0.00 H new ATOM 0 HB2 GLN A 61 89.604 -14.539 -15.607 1.00 0.00 H new ATOM 0 HB3 GLN A 61 90.474 -13.434 -14.562 1.00 0.00 H new ATOM 0 HG2 GLN A 61 90.276 -15.144 -12.685 1.00 0.00 H new ATOM 0 HG3 GLN A 61 89.549 -16.256 -13.827 1.00 0.00 H new ATOM 0 HE21 GLN A 61 91.674 -14.466 -15.695 1.00 0.00 H new ATOM 0 HE22 GLN A 61 93.103 -15.495 -15.550 1.00 0.00 H new ATOM 985 N ILE A 62 86.635 -12.231 -14.704 1.00 0.00 N ATOM 986 CA ILE A 62 86.078 -11.081 -15.413 1.00 0.00 C ATOM 987 C ILE A 62 85.544 -10.053 -14.423 1.00 0.00 C ATOM 988 O ILE A 62 85.040 -10.407 -13.355 1.00 0.00 O ATOM 989 CB ILE A 62 84.950 -11.510 -16.353 1.00 0.00 C ATOM 990 CG1 ILE A 62 85.499 -12.478 -17.404 1.00 0.00 C ATOM 991 CG2 ILE A 62 84.374 -10.274 -17.048 1.00 0.00 C ATOM 992 CD1 ILE A 62 84.358 -12.979 -18.294 1.00 0.00 C ATOM 0 H ILE A 62 85.958 -12.764 -14.158 1.00 0.00 H new ATOM 0 HA ILE A 62 86.879 -10.636 -16.003 1.00 0.00 H new ATOM 0 HB ILE A 62 84.166 -12.006 -15.780 1.00 0.00 H new ATOM 0 HG12 ILE A 62 86.254 -11.979 -18.012 1.00 0.00 H new ATOM 0 HG13 ILE A 62 85.988 -13.321 -16.915 1.00 0.00 H new ATOM 0 HG21 ILE A 62 83.570 -10.576 -17.719 1.00 0.00 H new ATOM 0 HG22 ILE A 62 83.983 -9.585 -16.300 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.159 -9.780 -17.621 1.00 0.00 H new ATOM 0 HD11 ILE A 62 84.754 -13.668 -19.040 1.00 0.00 H new ATOM 0 HD12 ILE A 62 83.618 -13.494 -17.681 1.00 0.00 H new ATOM 0 HD13 ILE A 62 83.888 -12.132 -18.795 1.00 0.00 H new ATOM 1004 N ILE A 63 85.663 -8.779 -14.783 1.00 0.00 N ATOM 1005 CA ILE A 63 85.195 -7.706 -13.925 1.00 0.00 C ATOM 1006 C ILE A 63 83.901 -7.108 -14.465 1.00 0.00 C ATOM 1007 O ILE A 63 83.721 -6.976 -15.676 1.00 0.00 O ATOM 1008 CB ILE A 63 86.268 -6.620 -13.828 1.00 0.00 C ATOM 1009 CG1 ILE A 63 86.556 -6.047 -15.223 1.00 0.00 C ATOM 1010 CG2 ILE A 63 87.549 -7.223 -13.246 1.00 0.00 C ATOM 1011 CD1 ILE A 63 87.507 -4.853 -15.106 1.00 0.00 C ATOM 0 H ILE A 63 86.079 -8.469 -15.661 1.00 0.00 H new ATOM 0 HA ILE A 63 84.998 -8.114 -12.934 1.00 0.00 H new ATOM 0 HB ILE A 63 85.914 -5.819 -13.179 1.00 0.00 H new ATOM 0 HG12 ILE A 63 86.998 -6.815 -15.858 1.00 0.00 H new ATOM 0 HG13 ILE A 63 85.625 -5.737 -15.698 1.00 0.00 H new ATOM 0 HG21 ILE A 63 88.315 -6.451 -13.176 1.00 0.00 H new ATOM 0 HG22 ILE A 63 87.344 -7.623 -12.253 1.00 0.00 H new ATOM 0 HG23 ILE A 63 87.901 -8.025 -13.894 1.00 0.00 H new ATOM 0 HD11 ILE A 63 87.708 -4.450 -16.098 1.00 0.00 H new ATOM 0 HD12 ILE A 63 87.048 -4.082 -14.487 1.00 0.00 H new ATOM 0 HD13 ILE A 63 88.442 -5.176 -14.649 1.00 0.00 H new ATOM 1023 N ILE A 64 83.000 -6.757 -13.555 1.00 0.00 N ATOM 1024 CA ILE A 64 81.720 -6.179 -13.941 1.00 0.00 C ATOM 1025 C ILE A 64 81.512 -4.838 -13.246 1.00 0.00 C ATOM 1026 O ILE A 64 81.811 -4.692 -12.061 1.00 0.00 O ATOM 1027 CB ILE A 64 80.589 -7.138 -13.561 1.00 0.00 C ATOM 1028 CG1 ILE A 64 79.247 -6.557 -14.014 1.00 0.00 C ATOM 1029 CG2 ILE A 64 80.572 -7.328 -12.044 1.00 0.00 C ATOM 1030 CD1 ILE A 64 78.178 -7.651 -13.966 1.00 0.00 C ATOM 0 H ILE A 64 83.132 -6.862 -12.549 1.00 0.00 H new ATOM 0 HA ILE A 64 81.716 -6.019 -15.019 1.00 0.00 H new ATOM 0 HB ILE A 64 80.751 -8.099 -14.049 1.00 0.00 H new ATOM 0 HG12 ILE A 64 78.962 -5.726 -13.369 1.00 0.00 H new ATOM 0 HG13 ILE A 64 79.333 -6.161 -15.026 1.00 0.00 H new ATOM 0 HG21 ILE A 64 79.767 -8.011 -11.772 1.00 0.00 H new ATOM 0 HG22 ILE A 64 81.526 -7.743 -11.719 1.00 0.00 H new ATOM 0 HG23 ILE A 64 80.411 -6.365 -11.559 1.00 0.00 H new ATOM 0 HD11 ILE A 64 77.221 -7.239 -14.288 1.00 0.00 H new ATOM 0 HD12 ILE A 64 78.463 -8.468 -14.629 1.00 0.00 H new ATOM 0 HD13 ILE A 64 78.087 -8.026 -12.947 1.00 0.00 H new ATOM 1042 N GLU A 65 81.001 -3.861 -13.988 1.00 0.00 N ATOM 1043 CA GLU A 65 80.763 -2.541 -13.420 1.00 0.00 C ATOM 1044 C GLU A 65 79.270 -2.306 -13.220 1.00 0.00 C ATOM 1045 O GLU A 65 78.480 -2.427 -14.157 1.00 0.00 O ATOM 1046 CB GLU A 65 81.333 -1.467 -14.346 1.00 0.00 C ATOM 1047 CG GLU A 65 82.842 -1.667 -14.488 1.00 0.00 C ATOM 1048 CD GLU A 65 83.439 -0.555 -15.344 1.00 0.00 C ATOM 1049 OE1 GLU A 65 82.671 0.200 -15.916 1.00 0.00 O ATOM 1050 OE2 GLU A 65 84.654 -0.476 -15.415 1.00 0.00 O ATOM 0 H GLU A 65 80.747 -3.957 -14.971 1.00 0.00 H new ATOM 0 HA GLU A 65 81.259 -2.486 -12.451 1.00 0.00 H new ATOM 0 HB2 GLU A 65 80.854 -1.523 -15.324 1.00 0.00 H new ATOM 0 HB3 GLU A 65 81.123 -0.476 -13.944 1.00 0.00 H new ATOM 0 HG2 GLU A 65 83.311 -1.671 -13.504 1.00 0.00 H new ATOM 0 HG3 GLU A 65 83.047 -2.636 -14.942 1.00 0.00 H new ATOM 1057 N ILE A 66 78.892 -1.964 -11.993 1.00 0.00 N ATOM 1058 CA ILE A 66 77.491 -1.708 -11.680 1.00 0.00 C ATOM 1059 C ILE A 66 77.329 -0.354 -10.996 1.00 0.00 C ATOM 1060 O ILE A 66 77.945 -0.096 -9.962 1.00 0.00 O ATOM 1061 CB ILE A 66 76.954 -2.806 -10.765 1.00 0.00 C ATOM 1062 CG1 ILE A 66 77.132 -4.167 -11.445 1.00 0.00 C ATOM 1063 CG2 ILE A 66 75.469 -2.559 -10.493 1.00 0.00 C ATOM 1064 CD1 ILE A 66 76.759 -5.286 -10.469 1.00 0.00 C ATOM 0 H ILE A 66 79.530 -1.858 -11.205 1.00 0.00 H new ATOM 0 HA ILE A 66 76.928 -1.700 -12.613 1.00 0.00 H new ATOM 0 HB ILE A 66 77.502 -2.797 -9.823 1.00 0.00 H new ATOM 0 HG12 ILE A 66 76.505 -4.224 -12.335 1.00 0.00 H new ATOM 0 HG13 ILE A 66 78.164 -4.288 -11.774 1.00 0.00 H new ATOM 0 HG21 ILE A 66 75.084 -3.342 -9.840 1.00 0.00 H new ATOM 0 HG22 ILE A 66 75.344 -1.590 -10.011 1.00 0.00 H new ATOM 0 HG23 ILE A 66 74.920 -2.569 -11.435 1.00 0.00 H new ATOM 0 HD11 ILE A 66 76.887 -6.252 -10.957 1.00 0.00 H new ATOM 0 HD12 ILE A 66 77.404 -5.234 -9.592 1.00 0.00 H new ATOM 0 HD13 ILE A 66 75.720 -5.170 -10.162 1.00 0.00 H new ATOM 1076 N ALA A 67 76.495 0.504 -11.575 1.00 0.00 N ATOM 1077 CA ALA A 67 76.260 1.826 -11.005 1.00 0.00 C ATOM 1078 C ALA A 67 77.545 2.647 -10.999 1.00 0.00 C ATOM 1079 O ALA A 67 77.617 3.708 -11.621 1.00 0.00 O ATOM 1080 CB ALA A 67 75.730 1.692 -9.576 1.00 0.00 C ATOM 0 H ALA A 67 75.975 0.310 -12.431 1.00 0.00 H new ATOM 0 HA ALA A 67 75.521 2.338 -11.620 1.00 0.00 H new ATOM 0 HB1 ALA A 67 75.557 2.684 -9.158 1.00 0.00 H new ATOM 0 HB2 ALA A 67 74.794 1.134 -9.586 1.00 0.00 H new ATOM 0 HB3 ALA A 67 76.461 1.163 -8.965 1.00 0.00 H new ATOM 1086 N GLY A 68 78.559 2.152 -10.295 1.00 0.00 N ATOM 1087 CA GLY A 68 79.835 2.854 -10.223 1.00 0.00 C ATOM 1088 C GLY A 68 80.850 2.098 -9.368 1.00 0.00 C ATOM 1089 O GLY A 68 81.809 2.687 -8.869 1.00 0.00 O ATOM 0 H GLY A 68 78.523 1.277 -9.772 1.00 0.00 H new ATOM 0 HA2 GLY A 68 80.234 2.987 -11.229 1.00 0.00 H new ATOM 0 HA3 GLY A 68 79.679 3.850 -9.807 1.00 0.00 H new ATOM 1093 N HIS A 69 80.643 0.794 -9.199 1.00 0.00 N ATOM 1094 CA HIS A 69 81.559 -0.014 -8.400 1.00 0.00 C ATOM 1095 C HIS A 69 82.118 -1.167 -9.227 1.00 0.00 C ATOM 1096 O HIS A 69 81.393 -1.809 -9.986 1.00 0.00 O ATOM 1097 CB HIS A 69 80.832 -0.575 -7.176 1.00 0.00 C ATOM 1098 CG HIS A 69 80.403 0.557 -6.284 1.00 0.00 C ATOM 1099 ND1 HIS A 69 79.116 1.069 -6.305 1.00 0.00 N ATOM 1100 CD2 HIS A 69 81.082 1.289 -5.340 1.00 0.00 C ATOM 1101 CE1 HIS A 69 79.059 2.063 -5.401 1.00 0.00 C ATOM 1102 NE2 HIS A 69 80.231 2.239 -4.785 1.00 0.00 N ATOM 0 H HIS A 69 79.859 0.280 -9.600 1.00 0.00 H new ATOM 0 HA HIS A 69 82.382 0.622 -8.076 1.00 0.00 H new ATOM 0 HB2 HIS A 69 79.963 -1.154 -7.490 1.00 0.00 H new ATOM 0 HB3 HIS A 69 81.487 -1.254 -6.630 1.00 0.00 H new ATOM 0 HD2 HIS A 69 82.118 1.148 -5.070 1.00 0.00 H new ATOM 0 HE1 HIS A 69 78.174 2.647 -5.198 1.00 0.00 H new ATOM 0 HE2 HIS A 69 80.454 2.923 -4.062 1.00 0.00 H new ATOM 1111 N LYS A 70 83.413 -1.424 -9.074 1.00 0.00 N ATOM 1112 CA LYS A 70 84.057 -2.502 -9.813 1.00 0.00 C ATOM 1113 C LYS A 70 84.098 -3.774 -8.971 1.00 0.00 C ATOM 1114 O LYS A 70 84.393 -3.728 -7.777 1.00 0.00 O ATOM 1115 CB LYS A 70 85.485 -2.098 -10.187 1.00 0.00 C ATOM 1116 CG LYS A 70 85.450 -0.875 -11.105 1.00 0.00 C ATOM 1117 CD LYS A 70 86.881 -0.429 -11.420 1.00 0.00 C ATOM 1118 CE LYS A 70 87.552 -1.451 -12.341 1.00 0.00 C ATOM 1119 NZ LYS A 70 88.722 -0.820 -13.013 1.00 0.00 N ATOM 0 H LYS A 70 84.032 -0.905 -8.451 1.00 0.00 H new ATOM 0 HA LYS A 70 83.481 -2.691 -10.719 1.00 0.00 H new ATOM 0 HB2 LYS A 70 86.057 -1.873 -9.287 1.00 0.00 H new ATOM 0 HB3 LYS A 70 85.989 -2.926 -10.687 1.00 0.00 H new ATOM 0 HG2 LYS A 70 84.922 -1.115 -12.028 1.00 0.00 H new ATOM 0 HG3 LYS A 70 84.902 -0.063 -10.626 1.00 0.00 H new ATOM 0 HD2 LYS A 70 86.870 0.551 -11.897 1.00 0.00 H new ATOM 0 HD3 LYS A 70 87.452 -0.328 -10.497 1.00 0.00 H new ATOM 0 HE2 LYS A 70 87.874 -2.319 -11.766 1.00 0.00 H new ATOM 0 HE3 LYS A 70 86.840 -1.808 -13.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 89.179 -1.514 -13.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 88.402 -0.005 -13.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 89.403 -0.500 -12.296 1.00 0.00 H new ATOM 1133 N ALA A 71 83.807 -4.908 -9.600 1.00 0.00 N ATOM 1134 CA ALA A 71 83.821 -6.185 -8.893 1.00 0.00 C ATOM 1135 C ALA A 71 84.327 -7.292 -9.810 1.00 0.00 C ATOM 1136 O ALA A 71 84.100 -7.260 -11.019 1.00 0.00 O ATOM 1137 CB ALA A 71 82.413 -6.531 -8.405 1.00 0.00 C ATOM 0 H ALA A 71 83.561 -4.970 -10.588 1.00 0.00 H new ATOM 0 HA ALA A 71 84.489 -6.098 -8.036 1.00 0.00 H new ATOM 0 HB1 ALA A 71 82.435 -7.485 -7.879 1.00 0.00 H new ATOM 0 HB2 ALA A 71 82.061 -5.752 -7.729 1.00 0.00 H new ATOM 0 HB3 ALA A 71 81.739 -6.603 -9.259 1.00 0.00 H new ATOM 1143 N ILE A 72 85.011 -8.272 -9.228 1.00 0.00 N ATOM 1144 CA ILE A 72 85.541 -9.385 -10.010 1.00 0.00 C ATOM 1145 C ILE A 72 85.083 -10.719 -9.431 1.00 0.00 C ATOM 1146 O ILE A 72 85.133 -10.931 -8.220 1.00 0.00 O ATOM 1147 CB ILE A 72 87.072 -9.330 -10.039 1.00 0.00 C ATOM 1148 CG1 ILE A 72 87.602 -10.448 -10.939 1.00 0.00 C ATOM 1149 CG2 ILE A 72 87.628 -9.516 -8.624 1.00 0.00 C ATOM 1150 CD1 ILE A 72 89.079 -10.197 -11.248 1.00 0.00 C ATOM 0 H ILE A 72 85.210 -8.319 -8.229 1.00 0.00 H new ATOM 0 HA ILE A 72 85.160 -9.298 -11.028 1.00 0.00 H new ATOM 0 HB ILE A 72 87.388 -8.361 -10.426 1.00 0.00 H new ATOM 0 HG12 ILE A 72 87.481 -11.413 -10.447 1.00 0.00 H new ATOM 0 HG13 ILE A 72 87.027 -10.488 -11.864 1.00 0.00 H new ATOM 0 HG21 ILE A 72 88.717 -9.476 -8.653 1.00 0.00 H new ATOM 0 HG22 ILE A 72 87.252 -8.722 -7.978 1.00 0.00 H new ATOM 0 HG23 ILE A 72 87.311 -10.483 -8.233 1.00 0.00 H new ATOM 0 HD11 ILE A 72 89.457 -10.993 -11.889 1.00 0.00 H new ATOM 0 HD12 ILE A 72 89.187 -9.239 -11.757 1.00 0.00 H new ATOM 0 HD13 ILE A 72 89.647 -10.179 -10.318 1.00 0.00 H new ATOM 1162 N GLY A 73 84.636 -11.615 -10.305 1.00 0.00 N ATOM 1163 CA GLY A 73 84.172 -12.927 -9.865 1.00 0.00 C ATOM 1164 C GLY A 73 83.759 -13.797 -11.048 1.00 0.00 C ATOM 1165 O GLY A 73 83.865 -13.387 -12.204 1.00 0.00 O ATOM 0 H GLY A 73 84.585 -11.460 -11.312 1.00 0.00 H new ATOM 0 HA2 GLY A 73 84.963 -13.425 -9.304 1.00 0.00 H new ATOM 0 HA3 GLY A 73 83.327 -12.807 -9.187 1.00 0.00 H new ATOM 1169 N THR A 74 83.291 -15.005 -10.744 1.00 0.00 N ATOM 1170 CA THR A 74 82.864 -15.942 -11.779 1.00 0.00 C ATOM 1171 C THR A 74 81.506 -15.534 -12.346 1.00 0.00 C ATOM 1172 O THR A 74 80.593 -15.182 -11.601 1.00 0.00 O ATOM 1173 CB THR A 74 82.774 -17.352 -11.182 1.00 0.00 C ATOM 1174 OG1 THR A 74 84.037 -17.711 -10.639 1.00 0.00 O ATOM 1175 CG2 THR A 74 82.378 -18.358 -12.264 1.00 0.00 C ATOM 0 H THR A 74 83.198 -15.357 -9.791 1.00 0.00 H new ATOM 0 HA THR A 74 83.594 -15.931 -12.588 1.00 0.00 H new ATOM 0 HB THR A 74 82.018 -17.362 -10.397 1.00 0.00 H new ATOM 0 HG1 THR A 74 83.984 -18.611 -10.255 1.00 0.00 H new ATOM 0 HG21 THR A 74 82.317 -19.355 -11.829 1.00 0.00 H new ATOM 0 HG22 THR A 74 81.408 -18.083 -12.679 1.00 0.00 H new ATOM 0 HG23 THR A 74 83.126 -18.353 -13.057 1.00 0.00 H new ATOM 1183 N VAL A 75 81.377 -15.591 -13.669 1.00 0.00 N ATOM 1184 CA VAL A 75 80.121 -15.233 -14.317 1.00 0.00 C ATOM 1185 C VAL A 75 79.714 -16.299 -15.331 1.00 0.00 C ATOM 1186 O VAL A 75 80.230 -16.344 -16.451 1.00 0.00 O ATOM 1187 CB VAL A 75 80.257 -13.877 -15.016 1.00 0.00 C ATOM 1188 CG1 VAL A 75 80.550 -12.795 -13.976 1.00 0.00 C ATOM 1189 CG2 VAL A 75 81.405 -13.931 -16.026 1.00 0.00 C ATOM 0 H VAL A 75 82.119 -15.879 -14.307 1.00 0.00 H new ATOM 0 HA VAL A 75 79.347 -15.167 -13.552 1.00 0.00 H new ATOM 0 HB VAL A 75 79.327 -13.645 -15.535 1.00 0.00 H new ATOM 0 HG11 VAL A 75 80.647 -11.830 -14.473 1.00 0.00 H new ATOM 0 HG12 VAL A 75 79.733 -12.752 -13.256 1.00 0.00 H new ATOM 0 HG13 VAL A 75 81.479 -13.031 -13.457 1.00 0.00 H new ATOM 0 HG21 VAL A 75 81.499 -12.965 -16.522 1.00 0.00 H new ATOM 0 HG22 VAL A 75 82.335 -14.165 -15.508 1.00 0.00 H new ATOM 0 HG23 VAL A 75 81.200 -14.702 -16.769 1.00 0.00 H new ATOM 1199 N LEU A 76 78.812 -17.183 -14.915 1.00 0.00 N ATOM 1200 CA LEU A 76 78.364 -18.270 -15.778 1.00 0.00 C ATOM 1201 C LEU A 76 77.614 -17.737 -16.994 1.00 0.00 C ATOM 1202 O LEU A 76 76.824 -16.797 -16.895 1.00 0.00 O ATOM 1203 CB LEU A 76 77.445 -19.204 -14.990 1.00 0.00 C ATOM 1204 CG LEU A 76 78.129 -19.618 -13.687 1.00 0.00 C ATOM 1205 CD1 LEU A 76 77.226 -20.588 -12.925 1.00 0.00 C ATOM 1206 CD2 LEU A 76 79.457 -20.307 -14.005 1.00 0.00 C ATOM 0 H LEU A 76 78.379 -17.168 -13.991 1.00 0.00 H new ATOM 0 HA LEU A 76 79.244 -18.812 -16.125 1.00 0.00 H new ATOM 0 HB2 LEU A 76 76.501 -18.704 -14.774 1.00 0.00 H new ATOM 0 HB3 LEU A 76 77.210 -20.086 -15.585 1.00 0.00 H new ATOM 0 HG LEU A 76 78.313 -18.734 -13.077 1.00 0.00 H new ATOM 0 HD11 LEU A 76 77.712 -20.884 -11.996 1.00 0.00 H new ATOM 0 HD12 LEU A 76 76.277 -20.101 -12.699 1.00 0.00 H new ATOM 0 HD13 LEU A 76 77.043 -21.472 -13.536 1.00 0.00 H new ATOM 0 HD21 LEU A 76 79.945 -20.602 -13.076 1.00 0.00 H new ATOM 0 HD22 LEU A 76 79.271 -21.191 -14.615 1.00 0.00 H new ATOM 0 HD23 LEU A 76 80.102 -19.619 -14.551 1.00 0.00 H new ATOM 1218 N VAL A 77 77.871 -18.356 -18.140 1.00 0.00 N ATOM 1219 CA VAL A 77 77.222 -17.953 -19.382 1.00 0.00 C ATOM 1220 C VAL A 77 76.380 -19.096 -19.944 1.00 0.00 C ATOM 1221 O VAL A 77 76.850 -20.228 -20.064 1.00 0.00 O ATOM 1222 CB VAL A 77 78.275 -17.528 -20.407 1.00 0.00 C ATOM 1223 CG1 VAL A 77 77.583 -17.057 -21.687 1.00 0.00 C ATOM 1224 CG2 VAL A 77 79.108 -16.382 -19.826 1.00 0.00 C ATOM 0 H VAL A 77 78.521 -19.136 -18.235 1.00 0.00 H new ATOM 0 HA VAL A 77 76.565 -17.109 -19.172 1.00 0.00 H new ATOM 0 HB VAL A 77 78.923 -18.373 -20.638 1.00 0.00 H new ATOM 0 HG11 VAL A 77 78.334 -16.754 -22.417 1.00 0.00 H new ATOM 0 HG12 VAL A 77 76.985 -17.871 -22.098 1.00 0.00 H new ATOM 0 HG13 VAL A 77 76.936 -16.210 -21.460 1.00 0.00 H new ATOM 0 HG21 VAL A 77 79.861 -16.075 -20.552 1.00 0.00 H new ATOM 0 HG22 VAL A 77 78.457 -15.538 -19.599 1.00 0.00 H new ATOM 0 HG23 VAL A 77 79.600 -16.717 -18.913 1.00 0.00 H new ATOM 1234 N GLY A 78 75.132 -18.786 -20.282 1.00 0.00 N ATOM 1235 CA GLY A 78 74.225 -19.792 -20.825 1.00 0.00 C ATOM 1236 C GLY A 78 73.435 -19.239 -22.009 1.00 0.00 C ATOM 1237 O GLY A 78 73.419 -18.033 -22.254 1.00 0.00 O ATOM 0 H GLY A 78 74.728 -17.854 -20.191 1.00 0.00 H new ATOM 0 HA2 GLY A 78 74.794 -20.667 -21.140 1.00 0.00 H new ATOM 0 HA3 GLY A 78 73.537 -20.123 -20.047 1.00 0.00 H new ATOM 1241 N PRO A 79 72.790 -20.106 -22.744 1.00 0.00 N ATOM 1242 CA PRO A 79 71.980 -19.725 -23.942 1.00 0.00 C ATOM 1243 C PRO A 79 70.815 -18.791 -23.604 1.00 0.00 C ATOM 1244 O PRO A 79 70.280 -18.115 -24.482 1.00 0.00 O ATOM 1245 CB PRO A 79 71.459 -21.063 -24.482 1.00 0.00 C ATOM 1246 CG PRO A 79 71.598 -22.039 -23.360 1.00 0.00 C ATOM 1247 CD PRO A 79 72.765 -21.555 -22.506 1.00 0.00 C ATOM 0 HA PRO A 79 72.581 -19.169 -24.662 1.00 0.00 H new ATOM 0 HB2 PRO A 79 70.420 -20.978 -24.799 1.00 0.00 H new ATOM 0 HB3 PRO A 79 72.033 -21.383 -25.352 1.00 0.00 H new ATOM 0 HG2 PRO A 79 70.681 -22.087 -22.772 1.00 0.00 H new ATOM 0 HG3 PRO A 79 71.786 -23.043 -23.740 1.00 0.00 H new ATOM 0 HD2 PRO A 79 72.613 -21.785 -21.452 1.00 0.00 H new ATOM 0 HD3 PRO A 79 73.702 -22.026 -22.803 1.00 0.00 H new ATOM 1255 N THR A 80 70.418 -18.767 -22.335 1.00 0.00 N ATOM 1256 CA THR A 80 69.305 -17.920 -21.911 1.00 0.00 C ATOM 1257 C THR A 80 69.498 -16.480 -22.405 1.00 0.00 C ATOM 1258 O THR A 80 70.615 -15.961 -22.387 1.00 0.00 O ATOM 1259 CB THR A 80 69.202 -17.926 -20.384 1.00 0.00 C ATOM 1260 OG1 THR A 80 67.937 -17.409 -19.995 1.00 0.00 O ATOM 1261 CG2 THR A 80 70.313 -17.058 -19.792 1.00 0.00 C ATOM 0 H THR A 80 70.844 -19.317 -21.589 1.00 0.00 H new ATOM 0 HA THR A 80 68.387 -18.317 -22.343 1.00 0.00 H new ATOM 0 HB THR A 80 69.307 -18.947 -20.016 1.00 0.00 H new ATOM 0 HG1 THR A 80 67.868 -17.414 -19.017 1.00 0.00 H new ATOM 0 HG21 THR A 80 70.238 -17.063 -18.705 1.00 0.00 H new ATOM 0 HG22 THR A 80 71.283 -17.455 -20.091 1.00 0.00 H new ATOM 0 HG23 THR A 80 70.210 -16.036 -20.158 1.00 0.00 H new ATOM 1269 N PRO A 81 68.443 -15.826 -22.843 1.00 0.00 N ATOM 1270 CA PRO A 81 68.516 -14.419 -23.345 1.00 0.00 C ATOM 1271 C PRO A 81 68.718 -13.403 -22.222 1.00 0.00 C ATOM 1272 O PRO A 81 68.581 -13.728 -21.043 1.00 0.00 O ATOM 1273 CB PRO A 81 67.166 -14.206 -24.031 1.00 0.00 C ATOM 1274 CG PRO A 81 66.229 -15.142 -23.348 1.00 0.00 C ATOM 1275 CD PRO A 81 67.063 -16.346 -22.909 1.00 0.00 C ATOM 0 HA PRO A 81 69.369 -14.274 -24.008 1.00 0.00 H new ATOM 0 HB2 PRO A 81 66.833 -13.173 -23.932 1.00 0.00 H new ATOM 0 HB3 PRO A 81 67.228 -14.420 -25.098 1.00 0.00 H new ATOM 0 HG2 PRO A 81 65.758 -14.662 -22.490 1.00 0.00 H new ATOM 0 HG3 PRO A 81 65.428 -15.449 -24.021 1.00 0.00 H new ATOM 0 HD2 PRO A 81 66.734 -16.727 -21.942 1.00 0.00 H new ATOM 0 HD3 PRO A 81 66.981 -17.168 -23.620 1.00 0.00 H new ATOM 1283 N VAL A 82 69.037 -12.167 -22.602 1.00 0.00 N ATOM 1284 CA VAL A 82 69.249 -11.100 -21.628 1.00 0.00 C ATOM 1285 C VAL A 82 70.171 -11.562 -20.503 1.00 0.00 C ATOM 1286 O VAL A 82 70.740 -12.653 -20.560 1.00 0.00 O ATOM 1287 CB VAL A 82 67.910 -10.653 -21.040 1.00 0.00 C ATOM 1288 CG1 VAL A 82 67.897 -9.130 -20.888 1.00 0.00 C ATOM 1289 CG2 VAL A 82 66.775 -11.080 -21.975 1.00 0.00 C ATOM 0 H VAL A 82 69.154 -11.881 -23.574 1.00 0.00 H new ATOM 0 HA VAL A 82 69.720 -10.262 -22.142 1.00 0.00 H new ATOM 0 HB VAL A 82 67.773 -11.115 -20.063 1.00 0.00 H new ATOM 0 HG11 VAL A 82 66.942 -8.814 -20.469 1.00 0.00 H new ATOM 0 HG12 VAL A 82 68.704 -8.824 -20.223 1.00 0.00 H new ATOM 0 HG13 VAL A 82 68.036 -8.666 -21.864 1.00 0.00 H new ATOM 0 HG21 VAL A 82 65.820 -10.762 -21.557 1.00 0.00 H new ATOM 0 HG22 VAL A 82 66.915 -10.618 -22.952 1.00 0.00 H new ATOM 0 HG23 VAL A 82 66.781 -12.165 -22.082 1.00 0.00 H new ATOM 1299 N ASN A 83 70.316 -10.724 -19.481 1.00 0.00 N ATOM 1300 CA ASN A 83 71.175 -11.069 -18.352 1.00 0.00 C ATOM 1301 C ASN A 83 70.428 -10.934 -17.028 1.00 0.00 C ATOM 1302 O ASN A 83 69.692 -9.974 -16.809 1.00 0.00 O ATOM 1303 CB ASN A 83 72.425 -10.179 -18.333 1.00 0.00 C ATOM 1304 CG ASN A 83 73.235 -10.391 -19.609 1.00 0.00 C ATOM 1305 OD1 ASN A 83 73.054 -11.393 -20.300 1.00 0.00 O ATOM 1306 ND2 ASN A 83 74.122 -9.502 -19.962 1.00 0.00 N ATOM 0 H ASN A 83 69.858 -9.815 -19.410 1.00 0.00 H new ATOM 0 HA ASN A 83 71.478 -12.109 -18.475 1.00 0.00 H new ATOM 0 HB2 ASN A 83 72.135 -9.132 -18.246 1.00 0.00 H new ATOM 0 HB3 ASN A 83 73.036 -10.414 -17.461 1.00 0.00 H new ATOM 0 HD21 ASN A 83 74.668 -9.636 -20.813 1.00 0.00 H new ATOM 0 HD22 ASN A 83 74.270 -8.673 -19.387 1.00 0.00 H new ATOM 1313 N ILE A 84 70.645 -11.904 -16.146 1.00 0.00 N ATOM 1314 CA ILE A 84 70.016 -11.895 -14.832 1.00 0.00 C ATOM 1315 C ILE A 84 71.050 -12.226 -13.763 1.00 0.00 C ATOM 1316 O ILE A 84 71.878 -13.117 -13.951 1.00 0.00 O ATOM 1317 CB ILE A 84 68.879 -12.919 -14.782 1.00 0.00 C ATOM 1318 CG1 ILE A 84 68.225 -12.879 -13.399 1.00 0.00 C ATOM 1319 CG2 ILE A 84 69.441 -14.318 -15.041 1.00 0.00 C ATOM 1320 CD1 ILE A 84 66.866 -13.576 -13.455 1.00 0.00 C ATOM 0 H ILE A 84 71.252 -12.706 -16.318 1.00 0.00 H new ATOM 0 HA ILE A 84 69.607 -10.902 -14.645 1.00 0.00 H new ATOM 0 HB ILE A 84 68.137 -12.681 -15.544 1.00 0.00 H new ATOM 0 HG12 ILE A 84 68.867 -13.370 -12.668 1.00 0.00 H new ATOM 0 HG13 ILE A 84 68.102 -11.846 -13.073 1.00 0.00 H new ATOM 0 HG21 ILE A 84 68.632 -15.047 -15.005 1.00 0.00 H new ATOM 0 HG22 ILE A 84 69.911 -14.345 -16.024 1.00 0.00 H new ATOM 0 HG23 ILE A 84 70.181 -14.560 -14.278 1.00 0.00 H new ATOM 0 HD11 ILE A 84 66.401 -13.547 -12.469 1.00 0.00 H new ATOM 0 HD12 ILE A 84 66.225 -13.066 -14.174 1.00 0.00 H new ATOM 0 HD13 ILE A 84 67.001 -14.613 -13.762 1.00 0.00 H new ATOM 1332 N ILE A 85 71.002 -11.510 -12.643 1.00 0.00 N ATOM 1333 CA ILE A 85 71.953 -11.750 -11.562 1.00 0.00 C ATOM 1334 C ILE A 85 71.235 -12.221 -10.303 1.00 0.00 C ATOM 1335 O ILE A 85 70.024 -12.047 -10.165 1.00 0.00 O ATOM 1336 CB ILE A 85 72.755 -10.476 -11.271 1.00 0.00 C ATOM 1337 CG1 ILE A 85 71.834 -9.397 -10.696 1.00 0.00 C ATOM 1338 CG2 ILE A 85 73.385 -9.963 -12.568 1.00 0.00 C ATOM 1339 CD1 ILE A 85 72.663 -8.156 -10.360 1.00 0.00 C ATOM 0 H ILE A 85 70.325 -10.769 -12.461 1.00 0.00 H new ATOM 0 HA ILE A 85 72.640 -12.536 -11.877 1.00 0.00 H new ATOM 0 HB ILE A 85 73.536 -10.705 -10.546 1.00 0.00 H new ATOM 0 HG12 ILE A 85 71.055 -9.145 -11.416 1.00 0.00 H new ATOM 0 HG13 ILE A 85 71.333 -9.768 -9.802 1.00 0.00 H new ATOM 0 HG21 ILE A 85 73.955 -9.057 -12.362 1.00 0.00 H new ATOM 0 HG22 ILE A 85 74.049 -10.725 -12.976 1.00 0.00 H new ATOM 0 HG23 ILE A 85 72.600 -9.741 -13.291 1.00 0.00 H new ATOM 0 HD11 ILE A 85 72.012 -7.384 -9.950 1.00 0.00 H new ATOM 0 HD12 ILE A 85 73.425 -8.416 -9.626 1.00 0.00 H new ATOM 0 HD13 ILE A 85 73.143 -7.783 -11.265 1.00 0.00 H new ATOM 1351 N GLY A 86 71.988 -12.832 -9.393 1.00 0.00 N ATOM 1352 CA GLY A 86 71.406 -13.339 -8.157 1.00 0.00 C ATOM 1353 C GLY A 86 72.140 -12.809 -6.932 1.00 0.00 C ATOM 1354 O GLY A 86 72.986 -11.920 -7.032 1.00 0.00 O ATOM 0 H GLY A 86 72.992 -12.986 -9.487 1.00 0.00 H new ATOM 0 HA2 GLY A 86 70.356 -13.052 -8.105 1.00 0.00 H new ATOM 0 HA3 GLY A 86 71.439 -14.428 -8.159 1.00 0.00 H new ATOM 1358 N ARG A 87 71.794 -13.362 -5.775 1.00 0.00 N ATOM 1359 CA ARG A 87 72.404 -12.950 -4.517 1.00 0.00 C ATOM 1360 C ARG A 87 73.924 -13.019 -4.590 1.00 0.00 C ATOM 1361 O ARG A 87 74.619 -12.291 -3.883 1.00 0.00 O ATOM 1362 CB ARG A 87 71.913 -13.847 -3.379 1.00 0.00 C ATOM 1363 CG ARG A 87 72.467 -13.328 -2.050 1.00 0.00 C ATOM 1364 CD ARG A 87 72.031 -14.254 -0.915 1.00 0.00 C ATOM 1365 NE ARG A 87 72.477 -13.721 0.367 1.00 0.00 N ATOM 1366 CZ ARG A 87 71.966 -14.163 1.511 1.00 0.00 C ATOM 1367 NH1 ARG A 87 71.050 -15.092 1.501 1.00 0.00 N ATOM 1368 NH2 ARG A 87 72.383 -13.670 2.644 1.00 0.00 N ATOM 0 H ARG A 87 71.093 -14.098 -5.682 1.00 0.00 H new ATOM 0 HA ARG A 87 72.112 -11.917 -4.328 1.00 0.00 H new ATOM 0 HB2 ARG A 87 70.823 -13.857 -3.353 1.00 0.00 H new ATOM 0 HB3 ARG A 87 72.237 -14.874 -3.545 1.00 0.00 H new ATOM 0 HG2 ARG A 87 73.555 -13.277 -2.093 1.00 0.00 H new ATOM 0 HG3 ARG A 87 72.107 -12.316 -1.865 1.00 0.00 H new ATOM 0 HD2 ARG A 87 70.946 -14.358 -0.917 1.00 0.00 H new ATOM 0 HD3 ARG A 87 72.447 -15.250 -1.068 1.00 0.00 H new ATOM 0 HE ARG A 87 73.194 -12.996 0.386 1.00 0.00 H new ATOM 0 HH11 ARG A 87 70.726 -15.479 0.615 1.00 0.00 H new ATOM 0 HH12 ARG A 87 70.658 -15.431 2.379 1.00 0.00 H new ATOM 0 HH21 ARG A 87 73.101 -12.946 2.652 1.00 0.00 H new ATOM 0 HH22 ARG A 87 71.991 -14.009 3.523 1.00 0.00 H new ATOM 1382 N ASN A 88 74.438 -13.900 -5.440 1.00 0.00 N ATOM 1383 CA ASN A 88 75.881 -14.045 -5.577 1.00 0.00 C ATOM 1384 C ASN A 88 76.525 -12.701 -5.909 1.00 0.00 C ATOM 1385 O ASN A 88 77.549 -12.335 -5.334 1.00 0.00 O ATOM 1386 CB ASN A 88 76.199 -15.051 -6.684 1.00 0.00 C ATOM 1387 CG ASN A 88 77.672 -15.440 -6.630 1.00 0.00 C ATOM 1388 OD1 ASN A 88 78.335 -15.223 -5.615 1.00 0.00 O ATOM 1389 ND2 ASN A 88 78.226 -16.005 -7.667 1.00 0.00 N ATOM 0 H ASN A 88 73.886 -14.516 -6.037 1.00 0.00 H new ATOM 0 HA ASN A 88 76.284 -14.405 -4.630 1.00 0.00 H new ATOM 0 HB2 ASN A 88 75.576 -15.938 -6.570 1.00 0.00 H new ATOM 0 HB3 ASN A 88 75.964 -14.619 -7.657 1.00 0.00 H new ATOM 0 HD21 ASN A 88 79.211 -16.268 -7.639 1.00 0.00 H new ATOM 0 HD22 ASN A 88 77.674 -16.183 -8.506 1.00 0.00 H new ATOM 1396 N LEU A 89 75.915 -11.968 -6.836 1.00 0.00 N ATOM 1397 CA LEU A 89 76.438 -10.664 -7.231 1.00 0.00 C ATOM 1398 C LEU A 89 76.118 -9.607 -6.179 1.00 0.00 C ATOM 1399 O LEU A 89 76.954 -8.759 -5.867 1.00 0.00 O ATOM 1400 CB LEU A 89 75.836 -10.241 -8.576 1.00 0.00 C ATOM 1401 CG LEU A 89 76.710 -10.752 -9.726 1.00 0.00 C ATOM 1402 CD1 LEU A 89 78.014 -9.951 -9.779 1.00 0.00 C ATOM 1403 CD2 LEU A 89 77.030 -12.236 -9.517 1.00 0.00 C ATOM 0 H LEU A 89 75.065 -12.251 -7.324 1.00 0.00 H new ATOM 0 HA LEU A 89 77.521 -10.749 -7.325 1.00 0.00 H new ATOM 0 HB2 LEU A 89 74.825 -10.638 -8.672 1.00 0.00 H new ATOM 0 HB3 LEU A 89 75.758 -9.155 -8.623 1.00 0.00 H new ATOM 0 HG LEU A 89 76.170 -10.629 -10.665 1.00 0.00 H new ATOM 0 HD11 LEU A 89 78.633 -10.317 -10.598 1.00 0.00 H new ATOM 0 HD12 LEU A 89 77.787 -8.897 -9.939 1.00 0.00 H new ATOM 0 HD13 LEU A 89 78.551 -10.068 -8.838 1.00 0.00 H new ATOM 0 HD21 LEU A 89 77.652 -12.593 -10.338 1.00 0.00 H new ATOM 0 HD22 LEU A 89 77.564 -12.364 -8.575 1.00 0.00 H new ATOM 0 HD23 LEU A 89 76.102 -12.808 -9.489 1.00 0.00 H new ATOM 1415 N LEU A 90 74.903 -9.656 -5.643 1.00 0.00 N ATOM 1416 CA LEU A 90 74.488 -8.687 -4.634 1.00 0.00 C ATOM 1417 C LEU A 90 75.383 -8.774 -3.405 1.00 0.00 C ATOM 1418 O LEU A 90 75.742 -7.755 -2.814 1.00 0.00 O ATOM 1419 CB LEU A 90 73.036 -8.942 -4.226 1.00 0.00 C ATOM 1420 CG LEU A 90 72.138 -8.901 -5.465 1.00 0.00 C ATOM 1421 CD1 LEU A 90 70.681 -9.101 -5.044 1.00 0.00 C ATOM 1422 CD2 LEU A 90 72.285 -7.544 -6.158 1.00 0.00 C ATOM 0 H LEU A 90 74.195 -10.348 -5.887 1.00 0.00 H new ATOM 0 HA LEU A 90 74.575 -7.689 -5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 90 72.951 -9.911 -3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 90 72.713 -8.190 -3.506 1.00 0.00 H new ATOM 0 HG LEU A 90 72.432 -9.694 -6.153 1.00 0.00 H new ATOM 0 HD11 LEU A 90 70.040 -9.072 -5.925 1.00 0.00 H new ATOM 0 HD12 LEU A 90 70.574 -10.067 -4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 90 70.389 -8.307 -4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 90 71.646 -7.515 -7.040 1.00 0.00 H new ATOM 0 HD22 LEU A 90 71.991 -6.751 -5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 90 73.323 -7.399 -6.457 1.00 0.00 H new ATOM 1434 N THR A 91 75.742 -9.995 -3.021 1.00 0.00 N ATOM 1435 CA THR A 91 76.597 -10.195 -1.857 1.00 0.00 C ATOM 1436 C THR A 91 77.907 -9.435 -2.027 1.00 0.00 C ATOM 1437 O THR A 91 78.417 -8.835 -1.081 1.00 0.00 O ATOM 1438 CB THR A 91 76.887 -11.688 -1.674 1.00 0.00 C ATOM 1439 OG1 THR A 91 75.659 -12.402 -1.618 1.00 0.00 O ATOM 1440 CG2 THR A 91 77.667 -11.906 -0.377 1.00 0.00 C ATOM 0 H THR A 91 75.457 -10.853 -3.494 1.00 0.00 H new ATOM 0 HA THR A 91 76.081 -9.817 -0.975 1.00 0.00 H new ATOM 0 HB THR A 91 77.481 -12.049 -2.514 1.00 0.00 H new ATOM 0 HG1 THR A 91 75.481 -12.815 -2.489 1.00 0.00 H new ATOM 0 HG21 THR A 91 77.872 -12.969 -0.250 1.00 0.00 H new ATOM 0 HG22 THR A 91 78.608 -11.358 -0.422 1.00 0.00 H new ATOM 0 HG23 THR A 91 77.078 -11.546 0.467 1.00 0.00 H new ATOM 1448 N GLN A 92 78.442 -9.462 -3.242 1.00 0.00 N ATOM 1449 CA GLN A 92 79.690 -8.770 -3.531 1.00 0.00 C ATOM 1450 C GLN A 92 79.415 -7.490 -4.321 1.00 0.00 C ATOM 1451 O GLN A 92 78.875 -7.542 -5.426 1.00 0.00 O ATOM 1452 CB GLN A 92 80.614 -9.684 -4.340 1.00 0.00 C ATOM 1453 CG GLN A 92 81.979 -9.016 -4.511 1.00 0.00 C ATOM 1454 CD GLN A 92 82.848 -9.843 -5.451 1.00 0.00 C ATOM 1455 OE1 GLN A 92 82.476 -10.071 -6.602 1.00 0.00 O ATOM 1456 NE2 GLN A 92 83.992 -10.309 -5.028 1.00 0.00 N ATOM 0 H GLN A 92 78.034 -9.953 -4.038 1.00 0.00 H new ATOM 0 HA GLN A 92 80.172 -8.508 -2.589 1.00 0.00 H new ATOM 0 HB2 GLN A 92 80.728 -10.642 -3.833 1.00 0.00 H new ATOM 0 HB3 GLN A 92 80.174 -9.890 -5.316 1.00 0.00 H new ATOM 0 HG2 GLN A 92 81.853 -8.009 -4.909 1.00 0.00 H new ATOM 0 HG3 GLN A 92 82.469 -8.917 -3.542 1.00 0.00 H new ATOM 0 HE21 GLN A 92 84.299 -10.119 -4.074 1.00 0.00 H new ATOM 0 HE22 GLN A 92 84.579 -10.863 -5.652 1.00 0.00 H new ATOM 1465 N ILE A 93 79.784 -6.345 -3.751 1.00 0.00 N ATOM 1466 CA ILE A 93 79.563 -5.067 -4.420 1.00 0.00 C ATOM 1467 C ILE A 93 80.216 -3.937 -3.631 1.00 0.00 C ATOM 1468 O ILE A 93 80.542 -2.888 -4.186 1.00 0.00 O ATOM 1469 CB ILE A 93 78.062 -4.800 -4.554 1.00 0.00 C ATOM 1470 CG1 ILE A 93 77.831 -3.676 -5.566 1.00 0.00 C ATOM 1471 CG2 ILE A 93 77.492 -4.386 -3.197 1.00 0.00 C ATOM 1472 CD1 ILE A 93 76.342 -3.596 -5.909 1.00 0.00 C ATOM 0 H ILE A 93 80.233 -6.276 -2.837 1.00 0.00 H new ATOM 0 HA ILE A 93 80.011 -5.111 -5.413 1.00 0.00 H new ATOM 0 HB ILE A 93 77.563 -5.707 -4.896 1.00 0.00 H new ATOM 0 HG12 ILE A 93 78.172 -2.726 -5.154 1.00 0.00 H new ATOM 0 HG13 ILE A 93 78.414 -3.860 -6.469 1.00 0.00 H new ATOM 0 HG21 ILE A 93 76.423 -4.196 -3.294 1.00 0.00 H new ATOM 0 HG22 ILE A 93 77.654 -5.186 -2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 93 77.992 -3.480 -2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 93 76.177 -2.795 -6.630 1.00 0.00 H new ATOM 0 HD12 ILE A 93 76.016 -4.543 -6.338 1.00 0.00 H new ATOM 0 HD13 ILE A 93 75.770 -3.392 -5.004 1.00 0.00 H new ATOM 1484 N GLY A 94 80.406 -4.160 -2.335 1.00 0.00 N ATOM 1485 CA GLY A 94 81.024 -3.156 -1.480 1.00 0.00 C ATOM 1486 C GLY A 94 82.391 -2.754 -2.021 1.00 0.00 C ATOM 1487 O GLY A 94 82.798 -1.598 -1.912 1.00 0.00 O ATOM 0 H GLY A 94 80.143 -5.022 -1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 94 80.380 -2.279 -1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 94 81.129 -3.548 -0.468 1.00 0.00 H new ATOM 1491 N ALA A 95 83.093 -3.717 -2.607 1.00 0.00 N ATOM 1492 CA ALA A 95 84.415 -3.454 -3.164 1.00 0.00 C ATOM 1493 C ALA A 95 84.630 -4.263 -4.439 1.00 0.00 C ATOM 1494 O ALA A 95 83.644 -4.656 -5.040 1.00 0.00 O ATOM 1495 CB ALA A 95 85.494 -3.811 -2.140 1.00 0.00 C ATOM 1496 OXT ALA A 95 85.776 -4.478 -4.794 1.00 0.00 O ATOM 0 H ALA A 95 82.772 -4.680 -2.709 1.00 0.00 H new ATOM 0 HA ALA A 95 84.483 -2.393 -3.406 1.00 0.00 H new ATOM 0 HB1 ALA A 95 86.478 -3.612 -2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 95 85.357 -3.209 -1.242 1.00 0.00 H new ATOM 0 HB3 ALA A 95 85.417 -4.868 -1.883 1.00 0.00 H new TER 1502 ALA A 95