USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 758 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: T 32 THR OG1 : rot 160:sc= -1.76! USER MOD Set 1.2: T 35 GLN : amide:sc= -0.368 K(o=-2.1,f=-6.8!) USER MOD Set 2.1: T 3 TYR OH : rot 15:sc= 0.307 USER MOD Set 2.2: T 94 ASN : amide:sc= -2.2 K(o=-1.9,f=-6.2!) USER MOD Single : T 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 4 HIS : no HE2:sc= -7.14! C(o=-7.1!,f=-11!) USER MOD Single : T 9 SER OG : rot 180:sc= 0 USER MOD Single : T 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 12 TYR OH : rot -61:sc= -2.82! USER MOD Single : T 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 15 THR OG1 : rot 133:sc= 0.289 USER MOD Single : T 16 TYR OH : rot 180:sc= 0 USER MOD Single : T 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 29 HIS : no HD1:sc= -7.27! C(o=-7.3!,f=-10!) USER MOD Single : T 33 TYR OH : rot 180:sc= 0 USER MOD Single : T 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 41 LYS NZ :NH3+ -158:sc=-0.00871 (180deg=-0.205) USER MOD Single : T 45 HIS : no HD1:sc= -4.75! C(o=-4.8!,f=-8.2!) USER MOD Single : T 52 MET CE :methyl -124:sc= -1.15 (180deg=-2.96!) USER MOD Single : T 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 59 TYR OH : rot 154:sc= -0.153 USER MOD Single : T 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 67 ASN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : T 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 73 THR OG1 : rot 180:sc= 0 USER MOD Single : T 78 TYR OH : rot 180:sc= 0 USER MOD Single : T 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : T 85 SER OG : rot 180:sc= 0 USER MOD Single : T 91 TYR OH : rot 180:sc= -2.26! USER MOD Single : T 93 TYR OH : rot 180:sc= 0 USER MOD Single : T 96 HIS : no HD1:sc=-0.00333 X(o=-0.0033,f=0) USER MOD Single : T 98 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00418) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY T 1 -11.610 2.345 8.463 1.00 0.00 N ATOM 2 CA GLY T 1 -10.297 3.002 8.712 1.00 0.00 C ATOM 3 C GLY T 1 -9.419 3.027 7.476 1.00 0.00 C ATOM 4 O GLY T 1 -9.765 3.650 6.473 1.00 0.00 O ATOM 0 H1 GLY T 1 -12.173 2.353 9.337 1.00 0.00 H new ATOM 0 H2 GLY T 1 -12.120 2.860 7.718 1.00 0.00 H new ATOM 0 H3 GLY T 1 -11.455 1.362 8.160 1.00 0.00 H new ATOM 0 HA2 GLY T 1 -10.464 4.023 9.056 1.00 0.00 H new ATOM 0 HA3 GLY T 1 -9.777 2.477 9.513 1.00 0.00 H new ATOM 10 N VAL T 2 -8.278 2.348 7.549 1.00 0.00 N ATOM 11 CA VAL T 2 -7.348 2.295 6.427 1.00 0.00 C ATOM 12 C VAL T 2 -7.812 1.294 5.377 1.00 0.00 C ATOM 13 O VAL T 2 -8.360 0.242 5.706 1.00 0.00 O ATOM 14 CB VAL T 2 -5.928 1.911 6.888 1.00 0.00 C ATOM 15 CG1 VAL T 2 -5.986 0.899 8.020 1.00 0.00 C ATOM 16 CG2 VAL T 2 -5.111 1.373 5.724 1.00 0.00 C ATOM 0 H VAL T 2 -7.976 1.828 8.373 1.00 0.00 H new ATOM 0 HA VAL T 2 -7.324 3.294 5.992 1.00 0.00 H new ATOM 0 HB VAL T 2 -5.436 2.809 7.261 1.00 0.00 H new ATOM 0 HG11 VAL T 2 -4.973 0.642 8.330 1.00 0.00 H new ATOM 0 HG12 VAL T 2 -6.526 1.328 8.864 1.00 0.00 H new ATOM 0 HG13 VAL T 2 -6.500 0.001 7.679 1.00 0.00 H new ATOM 0 HG21 VAL T 2 -4.113 1.108 6.072 1.00 0.00 H new ATOM 0 HG22 VAL T 2 -5.599 0.488 5.315 1.00 0.00 H new ATOM 0 HG23 VAL T 2 -5.035 2.136 4.949 1.00 0.00 H new ATOM 26 N TYR T 3 -7.584 1.625 4.111 1.00 0.00 N ATOM 27 CA TYR T 3 -7.975 0.744 3.016 1.00 0.00 C ATOM 28 C TYR T 3 -6.979 0.820 1.865 1.00 0.00 C ATOM 29 O TYR T 3 -5.989 1.549 1.934 1.00 0.00 O ATOM 30 CB TYR T 3 -9.383 1.087 2.520 1.00 0.00 C ATOM 31 CG TYR T 3 -9.552 2.527 2.091 1.00 0.00 C ATOM 32 CD1 TYR T 3 -9.526 3.559 3.020 1.00 0.00 C ATOM 33 CD2 TYR T 3 -9.744 2.853 0.753 1.00 0.00 C ATOM 34 CE1 TYR T 3 -9.687 4.875 2.629 1.00 0.00 C ATOM 35 CE2 TYR T 3 -9.906 4.166 0.355 1.00 0.00 C ATOM 36 CZ TYR T 3 -9.877 5.173 1.297 1.00 0.00 C ATOM 37 OH TYR T 3 -10.038 6.482 0.904 1.00 0.00 O ATOM 0 H TYR T 3 -7.133 2.492 3.818 1.00 0.00 H new ATOM 0 HA TYR T 3 -7.978 -0.277 3.398 1.00 0.00 H new ATOM 0 HB2 TYR T 3 -9.629 0.437 1.680 1.00 0.00 H new ATOM 0 HB3 TYR T 3 -10.099 0.869 3.312 1.00 0.00 H new ATOM 0 HD1 TYR T 3 -9.378 3.330 4.065 1.00 0.00 H new ATOM 0 HD2 TYR T 3 -9.767 2.067 0.013 1.00 0.00 H new ATOM 0 HE1 TYR T 3 -9.664 5.666 3.364 1.00 0.00 H new ATOM 0 HE2 TYR T 3 -10.055 4.403 -0.688 1.00 0.00 H new ATOM 0 HH TYR T 3 -9.759 7.078 1.630 1.00 0.00 H new ATOM 47 N HIS T 4 -7.243 0.054 0.813 1.00 0.00 N ATOM 48 CA HIS T 4 -6.364 0.027 -0.350 1.00 0.00 C ATOM 49 C HIS T 4 -7.043 0.639 -1.570 1.00 0.00 C ATOM 50 O HIS T 4 -8.266 0.774 -1.615 1.00 0.00 O ATOM 51 CB HIS T 4 -5.939 -1.411 -0.657 1.00 0.00 C ATOM 52 CG HIS T 4 -5.410 -1.599 -2.044 1.00 0.00 C ATOM 53 ND1 HIS T 4 -6.202 -1.978 -3.108 1.00 0.00 N ATOM 54 CD2 HIS T 4 -4.159 -1.456 -2.542 1.00 0.00 C ATOM 55 CE1 HIS T 4 -5.461 -2.061 -4.199 1.00 0.00 C ATOM 56 NE2 HIS T 4 -4.218 -1.749 -3.883 1.00 0.00 N ATOM 0 H HIS T 4 -8.057 -0.556 0.741 1.00 0.00 H new ATOM 0 HA HIS T 4 -5.481 0.622 -0.117 1.00 0.00 H new ATOM 0 HB2 HIS T 4 -5.175 -1.715 0.058 1.00 0.00 H new ATOM 0 HB3 HIS T 4 -6.793 -2.072 -0.511 1.00 0.00 H new ATOM 0 HD1 HIS T 4 -7.204 -2.165 -3.060 1.00 0.00 H new ATOM 0 HD2 HIS T 4 -3.279 -1.166 -1.988 1.00 0.00 H new ATOM 0 HE1 HIS T 4 -5.813 -2.337 -5.182 1.00 0.00 H new ATOM 65 N ARG T 5 -6.234 1.005 -2.559 1.00 0.00 N ATOM 66 CA ARG T 5 -6.741 1.603 -3.787 1.00 0.00 C ATOM 67 C ARG T 5 -5.763 1.384 -4.936 1.00 0.00 C ATOM 68 O ARG T 5 -4.588 1.087 -4.716 1.00 0.00 O ATOM 69 CB ARG T 5 -6.978 3.100 -3.584 1.00 0.00 C ATOM 70 CG ARG T 5 -8.370 3.436 -3.072 1.00 0.00 C ATOM 71 CD ARG T 5 -9.428 3.193 -4.134 1.00 0.00 C ATOM 72 NE ARG T 5 -10.749 3.650 -3.708 1.00 0.00 N ATOM 73 CZ ARG T 5 -11.849 2.910 -3.802 1.00 0.00 C ATOM 74 NH1 ARG T 5 -11.785 1.684 -4.302 1.00 0.00 N ATOM 75 NH2 ARG T 5 -13.014 3.395 -3.394 1.00 0.00 N ATOM 0 H ARG T 5 -5.220 0.897 -2.533 1.00 0.00 H new ATOM 0 HA ARG T 5 -7.686 1.122 -4.038 1.00 0.00 H new ATOM 0 HB2 ARG T 5 -6.239 3.483 -2.880 1.00 0.00 H new ATOM 0 HB3 ARG T 5 -6.814 3.616 -4.530 1.00 0.00 H new ATOM 0 HG2 ARG T 5 -8.591 2.832 -2.192 1.00 0.00 H new ATOM 0 HG3 ARG T 5 -8.401 4.479 -2.758 1.00 0.00 H new ATOM 0 HD2 ARG T 5 -9.145 3.709 -5.052 1.00 0.00 H new ATOM 0 HD3 ARG T 5 -9.470 2.129 -4.366 1.00 0.00 H new ATOM 0 HE ARG T 5 -10.831 4.588 -3.317 1.00 0.00 H new ATOM 0 HH11 ARG T 5 -10.890 1.307 -4.615 1.00 0.00 H new ATOM 0 HH12 ARG T 5 -12.630 1.118 -4.373 1.00 0.00 H new ATOM 0 HH21 ARG T 5 -13.067 4.337 -3.007 1.00 0.00 H new ATOM 0 HH22 ARG T 5 -13.857 2.826 -3.467 1.00 0.00 H new ATOM 89 N GLU T 6 -6.251 1.532 -6.163 1.00 0.00 N ATOM 90 CA GLU T 6 -5.413 1.351 -7.344 1.00 0.00 C ATOM 91 C GLU T 6 -5.485 2.572 -8.254 1.00 0.00 C ATOM 92 O GLU T 6 -6.097 3.581 -7.908 1.00 0.00 O ATOM 93 CB GLU T 6 -5.838 0.100 -8.115 1.00 0.00 C ATOM 94 CG GLU T 6 -7.259 0.165 -8.649 1.00 0.00 C ATOM 95 CD GLU T 6 -8.299 0.067 -7.551 1.00 0.00 C ATOM 96 OE1 GLU T 6 -8.067 -0.684 -6.580 1.00 0.00 O ATOM 97 OE2 GLU T 6 -9.344 0.743 -7.660 1.00 0.00 O ATOM 0 H GLU T 6 -7.220 1.776 -6.366 1.00 0.00 H new ATOM 0 HA GLU T 6 -4.383 1.228 -7.010 1.00 0.00 H new ATOM 0 HB2 GLU T 6 -5.153 -0.053 -8.949 1.00 0.00 H new ATOM 0 HB3 GLU T 6 -5.744 -0.768 -7.462 1.00 0.00 H new ATOM 0 HG2 GLU T 6 -7.397 1.100 -9.192 1.00 0.00 H new ATOM 0 HG3 GLU T 6 -7.412 -0.644 -9.363 1.00 0.00 H new ATOM 104 N ALA T 7 -4.853 2.471 -9.418 1.00 0.00 N ATOM 105 CA ALA T 7 -4.845 3.567 -10.379 1.00 0.00 C ATOM 106 C ALA T 7 -6.073 3.515 -11.281 1.00 0.00 C ATOM 107 O ALA T 7 -6.644 2.449 -11.509 1.00 0.00 O ATOM 108 CB ALA T 7 -3.573 3.528 -11.213 1.00 0.00 C ATOM 0 H ALA T 7 -4.340 1.642 -9.719 1.00 0.00 H new ATOM 0 HA ALA T 7 -4.874 4.505 -9.824 1.00 0.00 H new ATOM 0 HB1 ALA T 7 -3.580 4.352 -11.926 1.00 0.00 H new ATOM 0 HB2 ALA T 7 -2.706 3.622 -10.559 1.00 0.00 H new ATOM 0 HB3 ALA T 7 -3.520 2.582 -11.752 1.00 0.00 H new ATOM 114 N ARG T 8 -6.471 4.674 -11.794 1.00 0.00 N ATOM 115 CA ARG T 8 -7.632 4.762 -12.674 1.00 0.00 C ATOM 116 C ARG T 8 -7.445 3.884 -13.907 1.00 0.00 C ATOM 117 O ARG T 8 -8.413 3.514 -14.571 1.00 0.00 O ATOM 118 CB ARG T 8 -7.866 6.213 -13.099 1.00 0.00 C ATOM 119 CG ARG T 8 -8.981 6.902 -12.329 1.00 0.00 C ATOM 120 CD ARG T 8 -10.208 7.127 -13.198 1.00 0.00 C ATOM 121 NE ARG T 8 -11.341 6.318 -12.760 1.00 0.00 N ATOM 122 CZ ARG T 8 -11.947 5.421 -13.532 1.00 0.00 C ATOM 123 NH1 ARG T 8 -11.529 5.219 -14.773 1.00 0.00 N ATOM 124 NH2 ARG T 8 -12.974 4.725 -13.062 1.00 0.00 N ATOM 0 H ARG T 8 -6.008 5.565 -11.616 1.00 0.00 H new ATOM 0 HA ARG T 8 -8.503 4.406 -12.124 1.00 0.00 H new ATOM 0 HB2 ARG T 8 -6.942 6.775 -12.965 1.00 0.00 H new ATOM 0 HB3 ARG T 8 -8.102 6.237 -14.163 1.00 0.00 H new ATOM 0 HG2 ARG T 8 -9.254 6.297 -11.464 1.00 0.00 H new ATOM 0 HG3 ARG T 8 -8.624 7.859 -11.949 1.00 0.00 H new ATOM 0 HD2 ARG T 8 -10.483 8.181 -13.172 1.00 0.00 H new ATOM 0 HD3 ARG T 8 -9.969 6.886 -14.234 1.00 0.00 H new ATOM 0 HE ARG T 8 -11.687 6.448 -11.809 1.00 0.00 H new ATOM 0 HH11 ARG T 8 -10.740 5.752 -15.139 1.00 0.00 H new ATOM 0 HH12 ARG T 8 -11.996 4.530 -15.363 1.00 0.00 H new ATOM 0 HH21 ARG T 8 -13.300 4.878 -12.107 1.00 0.00 H new ATOM 0 HH22 ARG T 8 -13.438 4.037 -13.655 1.00 0.00 H new ATOM 138 N SER T 9 -6.193 3.555 -14.208 1.00 0.00 N ATOM 139 CA SER T 9 -5.877 2.722 -15.362 1.00 0.00 C ATOM 140 C SER T 9 -5.752 1.256 -14.958 1.00 0.00 C ATOM 141 O SER T 9 -5.991 0.358 -15.765 1.00 0.00 O ATOM 142 CB SER T 9 -4.581 3.196 -16.019 1.00 0.00 C ATOM 143 OG SER T 9 -4.847 3.986 -17.165 1.00 0.00 O ATOM 0 H SER T 9 -5.380 3.853 -13.668 1.00 0.00 H new ATOM 0 HA SER T 9 -6.693 2.813 -16.079 1.00 0.00 H new ATOM 0 HB2 SER T 9 -3.997 3.774 -15.303 1.00 0.00 H new ATOM 0 HB3 SER T 9 -3.976 2.334 -16.301 1.00 0.00 H new ATOM 0 HG SER T 9 -4.001 4.277 -17.565 1.00 0.00 H new ATOM 149 N GLY T 10 -5.377 1.020 -13.704 1.00 0.00 N ATOM 150 CA GLY T 10 -5.232 -0.340 -13.219 1.00 0.00 C ATOM 151 C GLY T 10 -4.102 -0.482 -12.216 1.00 0.00 C ATOM 152 O GLY T 10 -3.283 0.424 -12.059 1.00 0.00 O ATOM 0 H GLY T 10 -5.171 1.745 -13.017 1.00 0.00 H new ATOM 0 HA2 GLY T 10 -6.166 -0.659 -12.757 1.00 0.00 H new ATOM 0 HA3 GLY T 10 -5.050 -1.006 -14.063 1.00 0.00 H new ATOM 156 N LYS T 11 -4.061 -1.624 -11.538 1.00 0.00 N ATOM 157 CA LYS T 11 -3.028 -1.895 -10.544 1.00 0.00 C ATOM 158 C LYS T 11 -1.633 -1.741 -11.145 1.00 0.00 C ATOM 159 O LYS T 11 -1.442 -1.912 -12.348 1.00 0.00 O ATOM 160 CB LYS T 11 -3.203 -3.307 -9.980 1.00 0.00 C ATOM 161 CG LYS T 11 -1.970 -3.831 -9.261 1.00 0.00 C ATOM 162 CD LYS T 11 -2.157 -5.272 -8.814 1.00 0.00 C ATOM 163 CE LYS T 11 -1.543 -6.248 -9.804 1.00 0.00 C ATOM 164 NZ LYS T 11 -2.479 -7.353 -10.150 1.00 0.00 N ATOM 0 H LYS T 11 -4.735 -2.380 -11.659 1.00 0.00 H new ATOM 0 HA LYS T 11 -3.132 -1.169 -9.738 1.00 0.00 H new ATOM 0 HB2 LYS T 11 -4.046 -3.312 -9.289 1.00 0.00 H new ATOM 0 HB3 LYS T 11 -3.455 -3.986 -10.794 1.00 0.00 H new ATOM 0 HG2 LYS T 11 -1.106 -3.763 -9.922 1.00 0.00 H new ATOM 0 HG3 LYS T 11 -1.759 -3.204 -8.394 1.00 0.00 H new ATOM 0 HD2 LYS T 11 -1.701 -5.412 -7.834 1.00 0.00 H new ATOM 0 HD3 LYS T 11 -3.220 -5.485 -8.704 1.00 0.00 H new ATOM 0 HE2 LYS T 11 -1.260 -5.714 -10.712 1.00 0.00 H new ATOM 0 HE3 LYS T 11 -0.629 -6.666 -9.382 1.00 0.00 H new ATOM 0 HZ1 LYS T 11 -2.022 -7.996 -10.827 1.00 0.00 H new ATOM 0 HZ2 LYS T 11 -2.729 -7.879 -9.288 1.00 0.00 H new ATOM 0 HZ3 LYS T 11 -3.341 -6.957 -10.576 1.00 0.00 H new ATOM 178 N TYR T 12 -0.662 -1.422 -10.294 1.00 0.00 N ATOM 179 CA TYR T 12 0.718 -1.249 -10.733 1.00 0.00 C ATOM 180 C TYR T 12 0.813 -0.217 -11.850 1.00 0.00 C ATOM 181 O TYR T 12 1.102 -0.558 -12.997 1.00 0.00 O ATOM 182 CB TYR T 12 1.296 -2.582 -11.215 1.00 0.00 C ATOM 183 CG TYR T 12 1.449 -3.613 -10.121 1.00 0.00 C ATOM 184 CD1 TYR T 12 1.281 -3.270 -8.784 1.00 0.00 C ATOM 185 CD2 TYR T 12 1.761 -4.932 -10.427 1.00 0.00 C ATOM 186 CE1 TYR T 12 1.421 -4.216 -7.784 1.00 0.00 C ATOM 187 CE2 TYR T 12 1.901 -5.881 -9.432 1.00 0.00 C ATOM 188 CZ TYR T 12 1.731 -5.518 -8.114 1.00 0.00 C ATOM 189 OH TYR T 12 1.872 -6.461 -7.122 1.00 0.00 O ATOM 0 H TYR T 12 -0.806 -1.278 -9.295 1.00 0.00 H new ATOM 0 HA TYR T 12 1.296 -0.893 -9.880 1.00 0.00 H new ATOM 0 HB2 TYR T 12 0.650 -2.986 -11.994 1.00 0.00 H new ATOM 0 HB3 TYR T 12 2.270 -2.402 -11.670 1.00 0.00 H new ATOM 0 HD1 TYR T 12 1.038 -2.251 -8.522 1.00 0.00 H new ATOM 0 HD2 TYR T 12 1.896 -5.220 -11.459 1.00 0.00 H new ATOM 0 HE1 TYR T 12 1.288 -3.936 -6.750 1.00 0.00 H new ATOM 0 HE2 TYR T 12 2.143 -6.902 -9.687 1.00 0.00 H new ATOM 0 HH TYR T 12 2.604 -6.200 -6.524 1.00 0.00 H new ATOM 199 N LYS T 13 0.571 1.045 -11.512 1.00 0.00 N ATOM 200 CA LYS T 13 0.635 2.117 -12.496 1.00 0.00 C ATOM 201 C LYS T 13 0.841 3.461 -11.814 1.00 0.00 C ATOM 202 O LYS T 13 1.056 4.477 -12.475 1.00 0.00 O ATOM 203 CB LYS T 13 -0.647 2.148 -13.332 1.00 0.00 C ATOM 204 CG LYS T 13 -0.654 1.144 -14.475 1.00 0.00 C ATOM 205 CD LYS T 13 -1.647 1.537 -15.557 1.00 0.00 C ATOM 206 CE LYS T 13 -2.367 0.323 -16.122 1.00 0.00 C ATOM 207 NZ LYS T 13 -2.253 0.251 -17.605 1.00 0.00 N ATOM 0 H LYS T 13 0.330 1.349 -10.569 1.00 0.00 H new ATOM 0 HA LYS T 13 1.483 1.926 -13.153 1.00 0.00 H new ATOM 0 HB2 LYS T 13 -1.499 1.951 -12.682 1.00 0.00 H new ATOM 0 HB3 LYS T 13 -0.781 3.150 -13.739 1.00 0.00 H new ATOM 0 HG2 LYS T 13 0.345 1.074 -14.905 1.00 0.00 H new ATOM 0 HG3 LYS T 13 -0.906 0.156 -14.091 1.00 0.00 H new ATOM 0 HD2 LYS T 13 -2.376 2.235 -15.146 1.00 0.00 H new ATOM 0 HD3 LYS T 13 -1.125 2.057 -16.360 1.00 0.00 H new ATOM 0 HE2 LYS T 13 -1.951 -0.583 -15.681 1.00 0.00 H new ATOM 0 HE3 LYS T 13 -3.419 0.361 -15.840 1.00 0.00 H new ATOM 0 HZ1 LYS T 13 -2.757 -0.590 -17.951 1.00 0.00 H new ATOM 0 HZ2 LYS T 13 -2.672 1.104 -18.027 1.00 0.00 H new ATOM 0 HZ3 LYS T 13 -1.250 0.189 -17.873 1.00 0.00 H new ATOM 221 N LEU T 14 0.765 3.463 -10.487 1.00 0.00 N ATOM 222 CA LEU T 14 0.934 4.684 -9.723 1.00 0.00 C ATOM 223 C LEU T 14 2.221 4.652 -8.907 1.00 0.00 C ATOM 224 O LEU T 14 2.795 3.591 -8.667 1.00 0.00 O ATOM 225 CB LEU T 14 -0.261 4.881 -8.804 1.00 0.00 C ATOM 226 CG LEU T 14 -0.565 3.709 -7.881 1.00 0.00 C ATOM 227 CD1 LEU T 14 -0.254 4.082 -6.441 1.00 0.00 C ATOM 228 CD2 LEU T 14 -2.015 3.275 -8.025 1.00 0.00 C ATOM 0 H LEU T 14 0.588 2.632 -9.923 1.00 0.00 H new ATOM 0 HA LEU T 14 1.000 5.519 -10.421 1.00 0.00 H new ATOM 0 HB2 LEU T 14 -0.089 5.768 -8.195 1.00 0.00 H new ATOM 0 HB3 LEU T 14 -1.141 5.080 -9.415 1.00 0.00 H new ATOM 0 HG LEU T 14 0.068 2.868 -8.165 1.00 0.00 H new ATOM 0 HD11 LEU T 14 -0.475 3.236 -5.790 1.00 0.00 H new ATOM 0 HD12 LEU T 14 0.801 4.342 -6.352 1.00 0.00 H new ATOM 0 HD13 LEU T 14 -0.864 4.936 -6.146 1.00 0.00 H new ATOM 0 HD21 LEU T 14 -2.212 2.436 -7.357 1.00 0.00 H new ATOM 0 HD22 LEU T 14 -2.671 4.106 -7.767 1.00 0.00 H new ATOM 0 HD23 LEU T 14 -2.203 2.971 -9.055 1.00 0.00 H new ATOM 240 N THR T 15 2.662 5.828 -8.483 1.00 0.00 N ATOM 241 CA THR T 15 3.876 5.956 -7.689 1.00 0.00 C ATOM 242 C THR T 15 3.544 6.460 -6.293 1.00 0.00 C ATOM 243 O THR T 15 2.380 6.477 -5.896 1.00 0.00 O ATOM 244 CB THR T 15 4.872 6.932 -8.342 1.00 0.00 C ATOM 245 OG1 THR T 15 4.521 8.281 -8.007 1.00 0.00 O ATOM 246 CG2 THR T 15 4.881 6.767 -9.854 1.00 0.00 C ATOM 0 H THR T 15 2.193 6.713 -8.677 1.00 0.00 H new ATOM 0 HA THR T 15 4.332 4.968 -7.631 1.00 0.00 H new ATOM 0 HB THR T 15 5.869 6.708 -7.963 1.00 0.00 H new ATOM 0 HG1 THR T 15 5.323 8.767 -7.722 1.00 0.00 H new ATOM 0 HG21 THR T 15 5.592 7.467 -10.292 1.00 0.00 H new ATOM 0 HG22 THR T 15 5.173 5.748 -10.107 1.00 0.00 H new ATOM 0 HG23 THR T 15 3.885 6.968 -10.248 1.00 0.00 H new ATOM 254 N TYR T 16 4.560 6.886 -5.556 1.00 0.00 N ATOM 255 CA TYR T 16 4.345 7.407 -4.216 1.00 0.00 C ATOM 256 C TYR T 16 3.581 8.720 -4.297 1.00 0.00 C ATOM 257 O TYR T 16 2.666 8.975 -3.512 1.00 0.00 O ATOM 258 CB TYR T 16 5.677 7.619 -3.496 1.00 0.00 C ATOM 259 CG TYR T 16 5.545 8.384 -2.199 1.00 0.00 C ATOM 260 CD1 TYR T 16 4.983 7.792 -1.074 1.00 0.00 C ATOM 261 CD2 TYR T 16 5.982 9.699 -2.100 1.00 0.00 C ATOM 262 CE1 TYR T 16 4.861 8.490 0.113 1.00 0.00 C ATOM 263 CE2 TYR T 16 5.864 10.402 -0.917 1.00 0.00 C ATOM 264 CZ TYR T 16 5.303 9.795 0.186 1.00 0.00 C ATOM 265 OH TYR T 16 5.184 10.492 1.366 1.00 0.00 O ATOM 0 H TYR T 16 5.533 6.881 -5.861 1.00 0.00 H new ATOM 0 HA TYR T 16 3.762 6.682 -3.648 1.00 0.00 H new ATOM 0 HB2 TYR T 16 6.129 6.649 -3.292 1.00 0.00 H new ATOM 0 HB3 TYR T 16 6.357 8.155 -4.157 1.00 0.00 H new ATOM 0 HD1 TYR T 16 4.636 6.771 -1.128 1.00 0.00 H new ATOM 0 HD2 TYR T 16 6.421 10.179 -2.962 1.00 0.00 H new ATOM 0 HE1 TYR T 16 4.422 8.016 0.979 1.00 0.00 H new ATOM 0 HE2 TYR T 16 6.210 11.423 -0.856 1.00 0.00 H new ATOM 0 HH TYR T 16 5.544 11.396 1.250 1.00 0.00 H new ATOM 275 N ALA T 17 3.959 9.544 -5.268 1.00 0.00 N ATOM 276 CA ALA T 17 3.311 10.829 -5.478 1.00 0.00 C ATOM 277 C ALA T 17 1.899 10.634 -6.020 1.00 0.00 C ATOM 278 O ALA T 17 0.971 11.347 -5.635 1.00 0.00 O ATOM 279 CB ALA T 17 4.134 11.688 -6.424 1.00 0.00 C ATOM 0 H ALA T 17 4.714 9.342 -5.923 1.00 0.00 H new ATOM 0 HA ALA T 17 3.241 11.342 -4.519 1.00 0.00 H new ATOM 0 HB1 ALA T 17 3.636 12.646 -6.571 1.00 0.00 H new ATOM 0 HB2 ALA T 17 5.123 11.855 -5.997 1.00 0.00 H new ATOM 0 HB3 ALA T 17 4.234 11.180 -7.383 1.00 0.00 H new ATOM 285 N GLU T 18 1.738 9.653 -6.907 1.00 0.00 N ATOM 286 CA GLU T 18 0.439 9.356 -7.487 1.00 0.00 C ATOM 287 C GLU T 18 -0.464 8.708 -6.448 1.00 0.00 C ATOM 288 O GLU T 18 -1.644 9.043 -6.330 1.00 0.00 O ATOM 289 CB GLU T 18 0.606 8.426 -8.684 1.00 0.00 C ATOM 290 CG GLU T 18 1.335 9.069 -9.852 1.00 0.00 C ATOM 291 CD GLU T 18 1.404 8.165 -11.066 1.00 0.00 C ATOM 292 OE1 GLU T 18 2.042 7.095 -10.974 1.00 0.00 O ATOM 293 OE2 GLU T 18 0.821 8.527 -12.110 1.00 0.00 O ATOM 0 H GLU T 18 2.494 9.053 -7.237 1.00 0.00 H new ATOM 0 HA GLU T 18 -0.020 10.287 -7.820 1.00 0.00 H new ATOM 0 HB2 GLU T 18 1.152 7.537 -8.370 1.00 0.00 H new ATOM 0 HB3 GLU T 18 -0.378 8.095 -9.017 1.00 0.00 H new ATOM 0 HG2 GLU T 18 0.831 9.997 -10.123 1.00 0.00 H new ATOM 0 HG3 GLU T 18 2.346 9.334 -9.543 1.00 0.00 H new ATOM 300 N ALA T 19 0.108 7.777 -5.696 1.00 0.00 N ATOM 301 CA ALA T 19 -0.623 7.068 -4.655 1.00 0.00 C ATOM 302 C ALA T 19 -1.278 8.045 -3.686 1.00 0.00 C ATOM 303 O ALA T 19 -2.420 7.854 -3.269 1.00 0.00 O ATOM 304 CB ALA T 19 0.313 6.131 -3.907 1.00 0.00 C ATOM 0 H ALA T 19 1.083 7.494 -5.789 1.00 0.00 H new ATOM 0 HA ALA T 19 -1.411 6.481 -5.128 1.00 0.00 H new ATOM 0 HB1 ALA T 19 -0.243 5.605 -3.131 1.00 0.00 H new ATOM 0 HB2 ALA T 19 0.736 5.407 -4.603 1.00 0.00 H new ATOM 0 HB3 ALA T 19 1.117 6.708 -3.450 1.00 0.00 H new ATOM 310 N LYS T 20 -0.541 9.092 -3.328 1.00 0.00 N ATOM 311 CA LYS T 20 -1.043 10.104 -2.404 1.00 0.00 C ATOM 312 C LYS T 20 -2.169 10.910 -3.033 1.00 0.00 C ATOM 313 O LYS T 20 -3.264 10.992 -2.483 1.00 0.00 O ATOM 314 CB LYS T 20 0.090 11.040 -1.982 1.00 0.00 C ATOM 315 CG LYS T 20 -0.212 11.833 -0.721 1.00 0.00 C ATOM 316 CD LYS T 20 0.417 13.216 -0.768 1.00 0.00 C ATOM 317 CE LYS T 20 1.764 13.241 -0.063 1.00 0.00 C ATOM 318 NZ LYS T 20 2.799 13.952 -0.864 1.00 0.00 N ATOM 0 H LYS T 20 0.407 9.262 -3.664 1.00 0.00 H new ATOM 0 HA LYS T 20 -1.436 9.592 -1.525 1.00 0.00 H new ATOM 0 HB2 LYS T 20 0.995 10.453 -1.824 1.00 0.00 H new ATOM 0 HB3 LYS T 20 0.299 11.734 -2.796 1.00 0.00 H new ATOM 0 HG2 LYS T 20 -1.291 11.927 -0.599 1.00 0.00 H new ATOM 0 HG3 LYS T 20 0.161 11.292 0.148 1.00 0.00 H new ATOM 0 HD2 LYS T 20 0.543 13.524 -1.806 1.00 0.00 H new ATOM 0 HD3 LYS T 20 -0.253 13.937 -0.300 1.00 0.00 H new ATOM 0 HE2 LYS T 20 1.657 13.728 0.906 1.00 0.00 H new ATOM 0 HE3 LYS T 20 2.092 12.219 0.129 1.00 0.00 H new ATOM 0 HZ1 LYS T 20 3.702 13.946 -0.348 1.00 0.00 H new ATOM 0 HZ2 LYS T 20 2.920 13.472 -1.779 1.00 0.00 H new ATOM 0 HZ3 LYS T 20 2.499 14.935 -1.025 1.00 0.00 H new ATOM 332 N ALA T 21 -1.893 11.508 -4.184 1.00 0.00 N ATOM 333 CA ALA T 21 -2.889 12.314 -4.882 1.00 0.00 C ATOM 334 C ALA T 21 -4.245 11.619 -4.906 1.00 0.00 C ATOM 335 O ALA T 21 -5.284 12.268 -4.808 1.00 0.00 O ATOM 336 CB ALA T 21 -2.427 12.624 -6.298 1.00 0.00 C ATOM 0 H ALA T 21 -0.990 11.451 -4.655 1.00 0.00 H new ATOM 0 HA ALA T 21 -3.001 13.251 -4.337 1.00 0.00 H new ATOM 0 HB1 ALA T 21 -3.182 13.226 -6.804 1.00 0.00 H new ATOM 0 HB2 ALA T 21 -1.488 13.176 -6.262 1.00 0.00 H new ATOM 0 HB3 ALA T 21 -2.280 11.693 -6.845 1.00 0.00 H new ATOM 342 N VAL T 22 -4.227 10.298 -5.043 1.00 0.00 N ATOM 343 CA VAL T 22 -5.459 9.517 -5.087 1.00 0.00 C ATOM 344 C VAL T 22 -6.107 9.414 -3.711 1.00 0.00 C ATOM 345 O VAL T 22 -7.271 9.771 -3.533 1.00 0.00 O ATOM 346 CB VAL T 22 -5.204 8.098 -5.631 1.00 0.00 C ATOM 347 CG1 VAL T 22 -6.346 7.167 -5.255 1.00 0.00 C ATOM 348 CG2 VAL T 22 -5.006 8.132 -7.139 1.00 0.00 C ATOM 0 H VAL T 22 -3.374 9.745 -5.126 1.00 0.00 H new ATOM 0 HA VAL T 22 -6.137 10.043 -5.759 1.00 0.00 H new ATOM 0 HB VAL T 22 -4.291 7.714 -5.177 1.00 0.00 H new ATOM 0 HG11 VAL T 22 -6.147 6.170 -5.648 1.00 0.00 H new ATOM 0 HG12 VAL T 22 -6.433 7.118 -4.170 1.00 0.00 H new ATOM 0 HG13 VAL T 22 -7.277 7.545 -5.677 1.00 0.00 H new ATOM 0 HG21 VAL T 22 -4.827 7.121 -7.505 1.00 0.00 H new ATOM 0 HG22 VAL T 22 -5.899 8.537 -7.614 1.00 0.00 H new ATOM 0 HG23 VAL T 22 -4.149 8.762 -7.379 1.00 0.00 H new ATOM 358 N CYS T 23 -5.350 8.917 -2.742 1.00 0.00 N ATOM 359 CA CYS T 23 -5.852 8.762 -1.385 1.00 0.00 C ATOM 360 C CYS T 23 -6.158 10.117 -0.761 1.00 0.00 C ATOM 361 O CYS T 23 -7.073 10.247 0.049 1.00 0.00 O ATOM 362 CB CYS T 23 -4.836 8.006 -0.532 1.00 0.00 C ATOM 363 SG CYS T 23 -4.548 6.293 -1.080 1.00 0.00 S ATOM 0 H CYS T 23 -4.385 8.614 -2.872 1.00 0.00 H new ATOM 0 HA CYS T 23 -6.778 8.189 -1.426 1.00 0.00 H new ATOM 0 HB2 CYS T 23 -3.889 8.546 -0.546 1.00 0.00 H new ATOM 0 HB3 CYS T 23 -5.181 7.994 0.502 1.00 0.00 H new ATOM 368 N GLU T 24 -5.396 11.127 -1.161 1.00 0.00 N ATOM 369 CA GLU T 24 -5.590 12.480 -0.657 1.00 0.00 C ATOM 370 C GLU T 24 -6.607 13.207 -1.524 1.00 0.00 C ATOM 371 O GLU T 24 -7.112 14.270 -1.163 1.00 0.00 O ATOM 372 CB GLU T 24 -4.265 13.244 -0.645 1.00 0.00 C ATOM 373 CG GLU T 24 -4.311 14.537 0.154 1.00 0.00 C ATOM 374 CD GLU T 24 -2.935 15.009 0.580 1.00 0.00 C ATOM 375 OE1 GLU T 24 -2.062 15.169 -0.300 1.00 0.00 O ATOM 376 OE2 GLU T 24 -2.729 15.220 1.794 1.00 0.00 O ATOM 0 H GLU T 24 -4.636 11.034 -1.835 1.00 0.00 H new ATOM 0 HA GLU T 24 -5.963 12.425 0.366 1.00 0.00 H new ATOM 0 HB2 GLU T 24 -3.488 12.600 -0.232 1.00 0.00 H new ATOM 0 HB3 GLU T 24 -3.978 13.472 -1.672 1.00 0.00 H new ATOM 0 HG2 GLU T 24 -4.788 15.313 -0.445 1.00 0.00 H new ATOM 0 HG3 GLU T 24 -4.931 14.391 1.039 1.00 0.00 H new ATOM 383 N PHE T 25 -6.901 12.606 -2.669 1.00 0.00 N ATOM 384 CA PHE T 25 -7.860 13.159 -3.612 1.00 0.00 C ATOM 385 C PHE T 25 -9.219 13.359 -2.950 1.00 0.00 C ATOM 386 O PHE T 25 -9.904 14.351 -3.199 1.00 0.00 O ATOM 387 CB PHE T 25 -7.996 12.218 -4.806 1.00 0.00 C ATOM 388 CG PHE T 25 -8.117 12.928 -6.122 1.00 0.00 C ATOM 389 CD1 PHE T 25 -7.002 13.494 -6.717 1.00 0.00 C ATOM 390 CD2 PHE T 25 -9.340 13.024 -6.766 1.00 0.00 C ATOM 391 CE1 PHE T 25 -7.102 14.145 -7.930 1.00 0.00 C ATOM 392 CE2 PHE T 25 -9.447 13.675 -7.981 1.00 0.00 C ATOM 393 CZ PHE T 25 -8.327 14.237 -8.564 1.00 0.00 C ATOM 0 H PHE T 25 -6.483 11.725 -2.968 1.00 0.00 H new ATOM 0 HA PHE T 25 -7.500 14.131 -3.949 1.00 0.00 H new ATOM 0 HB2 PHE T 25 -7.129 11.558 -4.838 1.00 0.00 H new ATOM 0 HB3 PHE T 25 -8.873 11.587 -4.662 1.00 0.00 H new ATOM 0 HD1 PHE T 25 -6.043 13.425 -6.226 1.00 0.00 H new ATOM 0 HD2 PHE T 25 -10.218 12.586 -6.315 1.00 0.00 H new ATOM 0 HE1 PHE T 25 -6.224 14.582 -8.383 1.00 0.00 H new ATOM 0 HE2 PHE T 25 -10.405 13.744 -8.474 1.00 0.00 H new ATOM 0 HZ PHE T 25 -8.409 14.747 -9.513 1.00 0.00 H new ATOM 403 N GLU T 26 -9.602 12.403 -2.111 1.00 0.00 N ATOM 404 CA GLU T 26 -10.881 12.462 -1.414 1.00 0.00 C ATOM 405 C GLU T 26 -10.682 12.631 0.088 1.00 0.00 C ATOM 406 O GLU T 26 -11.168 11.830 0.887 1.00 0.00 O ATOM 407 CB GLU T 26 -11.691 11.200 -1.701 1.00 0.00 C ATOM 408 CG GLU T 26 -11.676 10.800 -3.165 1.00 0.00 C ATOM 409 CD GLU T 26 -12.553 9.597 -3.451 1.00 0.00 C ATOM 410 OE1 GLU T 26 -12.153 8.472 -3.086 1.00 0.00 O ATOM 411 OE2 GLU T 26 -13.638 9.781 -4.040 1.00 0.00 O ATOM 0 H GLU T 26 -9.044 11.577 -1.897 1.00 0.00 H new ATOM 0 HA GLU T 26 -11.429 13.330 -1.780 1.00 0.00 H new ATOM 0 HB2 GLU T 26 -11.296 10.379 -1.103 1.00 0.00 H new ATOM 0 HB3 GLU T 26 -12.722 11.358 -1.385 1.00 0.00 H new ATOM 0 HG2 GLU T 26 -12.012 11.642 -3.771 1.00 0.00 H new ATOM 0 HG3 GLU T 26 -10.652 10.578 -3.467 1.00 0.00 H new ATOM 418 N GLY T 27 -9.969 13.687 0.460 1.00 0.00 N ATOM 419 CA GLY T 27 -9.716 13.965 1.860 1.00 0.00 C ATOM 420 C GLY T 27 -9.174 12.759 2.605 1.00 0.00 C ATOM 421 O GLY T 27 -9.474 12.565 3.783 1.00 0.00 O ATOM 0 H GLY T 27 -9.559 14.360 -0.188 1.00 0.00 H new ATOM 0 HA2 GLY T 27 -9.005 14.787 1.941 1.00 0.00 H new ATOM 0 HA3 GLY T 27 -10.640 14.295 2.334 1.00 0.00 H new ATOM 425 N GLY T 28 -8.369 11.952 1.921 1.00 0.00 N ATOM 426 CA GLY T 28 -7.793 10.774 2.548 1.00 0.00 C ATOM 427 C GLY T 28 -6.297 10.924 2.739 1.00 0.00 C ATOM 428 O GLY T 28 -5.696 11.876 2.243 1.00 0.00 O ATOM 0 H GLY T 28 -8.105 12.091 0.946 1.00 0.00 H new ATOM 0 HA2 GLY T 28 -8.269 10.604 3.514 1.00 0.00 H new ATOM 0 HA3 GLY T 28 -7.997 9.897 1.934 1.00 0.00 H new ATOM 432 N HIS T 29 -5.689 9.990 3.466 1.00 0.00 N ATOM 433 CA HIS T 29 -4.261 10.038 3.721 1.00 0.00 C ATOM 434 C HIS T 29 -3.619 8.672 3.527 1.00 0.00 C ATOM 435 O HIS T 29 -4.212 7.642 3.852 1.00 0.00 O ATOM 436 CB HIS T 29 -3.998 10.536 5.140 1.00 0.00 C ATOM 437 CG HIS T 29 -5.192 10.457 6.037 1.00 0.00 C ATOM 438 ND1 HIS T 29 -6.446 10.897 5.668 1.00 0.00 N ATOM 439 CD2 HIS T 29 -5.317 9.990 7.300 1.00 0.00 C ATOM 440 CE1 HIS T 29 -7.289 10.704 6.666 1.00 0.00 C ATOM 441 NE2 HIS T 29 -6.630 10.154 7.667 1.00 0.00 N ATOM 0 H HIS T 29 -6.167 9.193 3.887 1.00 0.00 H new ATOM 0 HA HIS T 29 -3.816 10.729 3.005 1.00 0.00 H new ATOM 0 HB2 HIS T 29 -3.188 9.951 5.576 1.00 0.00 H new ATOM 0 HB3 HIS T 29 -3.656 11.570 5.095 1.00 0.00 H new ATOM 0 HD2 HIS T 29 -4.530 9.567 7.907 1.00 0.00 H new ATOM 0 HE1 HIS T 29 -8.340 10.954 6.663 1.00 0.00 H new ATOM 0 HE2 HIS T 29 -7.031 9.893 8.568 1.00 0.00 H new ATOM 450 N LEU T 30 -2.401 8.673 2.999 1.00 0.00 N ATOM 451 CA LEU T 30 -1.666 7.445 2.762 1.00 0.00 C ATOM 452 C LEU T 30 -1.595 6.592 4.020 1.00 0.00 C ATOM 453 O LEU T 30 -1.335 7.096 5.112 1.00 0.00 O ATOM 454 CB LEU T 30 -0.256 7.773 2.285 1.00 0.00 C ATOM 455 CG LEU T 30 0.132 7.139 0.958 1.00 0.00 C ATOM 456 CD1 LEU T 30 1.345 7.838 0.365 1.00 0.00 C ATOM 457 CD2 LEU T 30 0.402 5.653 1.147 1.00 0.00 C ATOM 0 H LEU T 30 -1.902 9.520 2.726 1.00 0.00 H new ATOM 0 HA LEU T 30 -2.193 6.877 1.995 1.00 0.00 H new ATOM 0 HB2 LEU T 30 -0.160 8.855 2.196 1.00 0.00 H new ATOM 0 HB3 LEU T 30 0.454 7.451 3.047 1.00 0.00 H new ATOM 0 HG LEU T 30 -0.697 7.254 0.260 1.00 0.00 H new ATOM 0 HD11 LEU T 30 1.607 7.370 -0.584 1.00 0.00 H new ATOM 0 HD12 LEU T 30 1.114 8.890 0.199 1.00 0.00 H new ATOM 0 HD13 LEU T 30 2.185 7.756 1.054 1.00 0.00 H new ATOM 0 HD21 LEU T 30 0.679 5.209 0.191 1.00 0.00 H new ATOM 0 HD22 LEU T 30 1.216 5.519 1.859 1.00 0.00 H new ATOM 0 HD23 LEU T 30 -0.496 5.166 1.527 1.00 0.00 H new ATOM 469 N ALA T 31 -1.810 5.292 3.856 1.00 0.00 N ATOM 470 CA ALA T 31 -1.751 4.368 4.975 1.00 0.00 C ATOM 471 C ALA T 31 -0.299 4.067 5.329 1.00 0.00 C ATOM 472 O ALA T 31 0.585 4.162 4.479 1.00 0.00 O ATOM 473 CB ALA T 31 -2.504 3.086 4.649 1.00 0.00 C ATOM 0 H ALA T 31 -2.026 4.857 2.959 1.00 0.00 H new ATOM 0 HA ALA T 31 -2.229 4.831 5.838 1.00 0.00 H new ATOM 0 HB1 ALA T 31 -2.449 2.406 5.499 1.00 0.00 H new ATOM 0 HB2 ALA T 31 -3.548 3.320 4.439 1.00 0.00 H new ATOM 0 HB3 ALA T 31 -2.055 2.613 3.776 1.00 0.00 H new ATOM 479 N THR T 32 -0.052 3.715 6.584 1.00 0.00 N ATOM 480 CA THR T 32 1.304 3.414 7.033 1.00 0.00 C ATOM 481 C THR T 32 1.507 1.923 7.245 1.00 0.00 C ATOM 482 O THR T 32 0.642 1.110 6.921 1.00 0.00 O ATOM 483 CB THR T 32 1.638 4.140 8.349 1.00 0.00 C ATOM 484 OG1 THR T 32 0.860 3.593 9.421 1.00 0.00 O ATOM 485 CG2 THR T 32 1.372 5.630 8.227 1.00 0.00 C ATOM 0 H THR T 32 -0.767 3.631 7.306 1.00 0.00 H new ATOM 0 HA THR T 32 1.969 3.763 6.243 1.00 0.00 H new ATOM 0 HB THR T 32 2.697 3.995 8.561 1.00 0.00 H new ATOM 0 HG1 THR T 32 1.283 3.812 10.277 1.00 0.00 H new ATOM 0 HG21 THR T 32 1.615 6.121 9.169 1.00 0.00 H new ATOM 0 HG22 THR T 32 1.989 6.046 7.431 1.00 0.00 H new ATOM 0 HG23 THR T 32 0.320 5.794 7.993 1.00 0.00 H new ATOM 493 N TYR T 33 2.660 1.576 7.805 1.00 0.00 N ATOM 494 CA TYR T 33 2.987 0.184 8.080 1.00 0.00 C ATOM 495 C TYR T 33 2.145 -0.331 9.235 1.00 0.00 C ATOM 496 O TYR T 33 1.275 -1.184 9.056 1.00 0.00 O ATOM 497 CB TYR T 33 4.471 0.041 8.421 1.00 0.00 C ATOM 498 CG TYR T 33 4.888 -1.369 8.771 1.00 0.00 C ATOM 499 CD1 TYR T 33 4.843 -2.383 7.821 1.00 0.00 C ATOM 500 CD2 TYR T 33 5.323 -1.687 10.051 1.00 0.00 C ATOM 501 CE1 TYR T 33 5.220 -3.672 8.139 1.00 0.00 C ATOM 502 CE2 TYR T 33 5.703 -2.975 10.375 1.00 0.00 C ATOM 503 CZ TYR T 33 5.650 -3.964 9.416 1.00 0.00 C ATOM 504 OH TYR T 33 6.027 -5.248 9.734 1.00 0.00 O ATOM 0 H TYR T 33 3.384 2.241 8.077 1.00 0.00 H new ATOM 0 HA TYR T 33 2.772 -0.404 7.188 1.00 0.00 H new ATOM 0 HB2 TYR T 33 5.063 0.384 7.572 1.00 0.00 H new ATOM 0 HB3 TYR T 33 4.706 0.697 9.259 1.00 0.00 H new ATOM 0 HD1 TYR T 33 4.508 -2.159 6.819 1.00 0.00 H new ATOM 0 HD2 TYR T 33 5.365 -0.915 10.805 1.00 0.00 H new ATOM 0 HE1 TYR T 33 5.178 -4.449 7.390 1.00 0.00 H new ATOM 0 HE2 TYR T 33 6.040 -3.206 11.375 1.00 0.00 H new ATOM 0 HH TYR T 33 6.305 -5.284 10.673 1.00 0.00 H new ATOM 514 N LYS T 34 2.409 0.203 10.419 1.00 0.00 N ATOM 515 CA LYS T 34 1.675 -0.187 11.614 1.00 0.00 C ATOM 516 C LYS T 34 0.178 -0.208 11.333 1.00 0.00 C ATOM 517 O LYS T 34 -0.535 -1.110 11.775 1.00 0.00 O ATOM 518 CB LYS T 34 1.979 0.774 12.765 1.00 0.00 C ATOM 519 CG LYS T 34 3.459 0.914 13.084 1.00 0.00 C ATOM 520 CD LYS T 34 3.772 0.448 14.498 1.00 0.00 C ATOM 521 CE LYS T 34 4.917 1.242 15.106 1.00 0.00 C ATOM 522 NZ LYS T 34 4.439 2.201 16.140 1.00 0.00 N ATOM 0 H LYS T 34 3.128 0.909 10.578 1.00 0.00 H new ATOM 0 HA LYS T 34 1.993 -1.189 11.902 1.00 0.00 H new ATOM 0 HB2 LYS T 34 1.577 1.757 12.519 1.00 0.00 H new ATOM 0 HB3 LYS T 34 1.457 0.431 13.658 1.00 0.00 H new ATOM 0 HG2 LYS T 34 4.042 0.332 12.371 1.00 0.00 H new ATOM 0 HG3 LYS T 34 3.760 1.955 12.968 1.00 0.00 H new ATOM 0 HD2 LYS T 34 2.884 0.553 15.122 1.00 0.00 H new ATOM 0 HD3 LYS T 34 4.029 -0.611 14.485 1.00 0.00 H new ATOM 0 HE2 LYS T 34 5.638 0.557 15.552 1.00 0.00 H new ATOM 0 HE3 LYS T 34 5.439 1.787 14.319 1.00 0.00 H new ATOM 0 HZ1 LYS T 34 5.249 2.723 16.530 1.00 0.00 H new ATOM 0 HZ2 LYS T 34 3.770 2.871 15.709 1.00 0.00 H new ATOM 0 HZ3 LYS T 34 3.963 1.680 16.903 1.00 0.00 H new ATOM 536 N GLN T 35 -0.293 0.788 10.586 1.00 0.00 N ATOM 537 CA GLN T 35 -1.702 0.879 10.238 1.00 0.00 C ATOM 538 C GLN T 35 -2.111 -0.294 9.357 1.00 0.00 C ATOM 539 O GLN T 35 -3.106 -0.969 9.627 1.00 0.00 O ATOM 540 CB GLN T 35 -1.981 2.201 9.525 1.00 0.00 C ATOM 541 CG GLN T 35 -1.788 3.420 10.413 1.00 0.00 C ATOM 542 CD GLN T 35 -2.031 4.724 9.680 1.00 0.00 C ATOM 543 OE1 GLN T 35 -2.113 4.754 8.453 1.00 0.00 O ATOM 544 NE2 GLN T 35 -2.145 5.812 10.432 1.00 0.00 N ATOM 0 H GLN T 35 0.283 1.542 10.212 1.00 0.00 H new ATOM 0 HA GLN T 35 -2.291 0.842 11.155 1.00 0.00 H new ATOM 0 HB2 GLN T 35 -1.324 2.284 8.659 1.00 0.00 H new ATOM 0 HB3 GLN T 35 -3.004 2.193 9.149 1.00 0.00 H new ATOM 0 HG2 GLN T 35 -2.466 3.355 11.264 1.00 0.00 H new ATOM 0 HG3 GLN T 35 -0.774 3.416 10.812 1.00 0.00 H new ATOM 0 HE21 GLN T 35 -2.070 5.741 11.447 1.00 0.00 H new ATOM 0 HE22 GLN T 35 -2.307 6.719 9.995 1.00 0.00 H new ATOM 553 N LEU T 36 -1.331 -0.543 8.310 1.00 0.00 N ATOM 554 CA LEU T 36 -1.610 -1.646 7.402 1.00 0.00 C ATOM 555 C LEU T 36 -1.609 -2.965 8.164 1.00 0.00 C ATOM 556 O LEU T 36 -2.227 -3.942 7.743 1.00 0.00 O ATOM 557 CB LEU T 36 -0.574 -1.689 6.276 1.00 0.00 C ATOM 558 CG LEU T 36 -1.140 -1.938 4.877 1.00 0.00 C ATOM 559 CD1 LEU T 36 -1.519 -3.402 4.709 1.00 0.00 C ATOM 560 CD2 LEU T 36 -2.343 -1.042 4.620 1.00 0.00 C ATOM 0 H LEU T 36 -0.503 0.003 8.071 1.00 0.00 H new ATOM 0 HA LEU T 36 -2.595 -1.492 6.962 1.00 0.00 H new ATOM 0 HB2 LEU T 36 -0.031 -0.744 6.268 1.00 0.00 H new ATOM 0 HB3 LEU T 36 0.151 -2.471 6.501 1.00 0.00 H new ATOM 0 HG LEU T 36 -0.369 -1.696 4.145 1.00 0.00 H new ATOM 0 HD11 LEU T 36 -1.920 -3.561 3.708 1.00 0.00 H new ATOM 0 HD12 LEU T 36 -0.636 -4.025 4.850 1.00 0.00 H new ATOM 0 HD13 LEU T 36 -2.273 -3.670 5.449 1.00 0.00 H new ATOM 0 HD21 LEU T 36 -2.732 -1.233 3.620 1.00 0.00 H new ATOM 0 HD22 LEU T 36 -3.118 -1.253 5.357 1.00 0.00 H new ATOM 0 HD23 LEU T 36 -2.042 0.003 4.699 1.00 0.00 H new ATOM 572 N GLU T 37 -0.914 -2.976 9.297 1.00 0.00 N ATOM 573 CA GLU T 37 -0.831 -4.161 10.137 1.00 0.00 C ATOM 574 C GLU T 37 -2.141 -4.380 10.878 1.00 0.00 C ATOM 575 O GLU T 37 -2.813 -5.395 10.697 1.00 0.00 O ATOM 576 CB GLU T 37 0.311 -4.020 11.144 1.00 0.00 C ATOM 577 CG GLU T 37 0.548 -5.271 11.971 1.00 0.00 C ATOM 578 CD GLU T 37 1.553 -6.211 11.336 1.00 0.00 C ATOM 579 OE1 GLU T 37 1.138 -7.062 10.521 1.00 0.00 O ATOM 580 OE2 GLU T 37 2.755 -6.098 11.655 1.00 0.00 O ATOM 0 H GLU T 37 -0.398 -2.172 9.654 1.00 0.00 H new ATOM 0 HA GLU T 37 -0.638 -5.021 9.496 1.00 0.00 H new ATOM 0 HB2 GLU T 37 1.227 -3.769 10.609 1.00 0.00 H new ATOM 0 HB3 GLU T 37 0.094 -3.188 11.813 1.00 0.00 H new ATOM 0 HG2 GLU T 37 0.900 -4.985 12.962 1.00 0.00 H new ATOM 0 HG3 GLU T 37 -0.398 -5.796 12.108 1.00 0.00 H new ATOM 587 N ALA T 38 -2.495 -3.413 11.715 1.00 0.00 N ATOM 588 CA ALA T 38 -3.723 -3.485 12.491 1.00 0.00 C ATOM 589 C ALA T 38 -4.936 -3.628 11.581 1.00 0.00 C ATOM 590 O ALA T 38 -6.029 -3.970 12.034 1.00 0.00 O ATOM 591 CB ALA T 38 -3.864 -2.258 13.378 1.00 0.00 C ATOM 0 H ALA T 38 -1.946 -2.568 11.873 1.00 0.00 H new ATOM 0 HA ALA T 38 -3.671 -4.369 13.126 1.00 0.00 H new ATOM 0 HB1 ALA T 38 -4.788 -2.328 13.952 1.00 0.00 H new ATOM 0 HB2 ALA T 38 -3.016 -2.203 14.061 1.00 0.00 H new ATOM 0 HB3 ALA T 38 -3.889 -1.362 12.758 1.00 0.00 H new ATOM 597 N ALA T 39 -4.730 -3.381 10.293 1.00 0.00 N ATOM 598 CA ALA T 39 -5.799 -3.497 9.312 1.00 0.00 C ATOM 599 C ALA T 39 -5.755 -4.872 8.668 1.00 0.00 C ATOM 600 O ALA T 39 -6.778 -5.425 8.270 1.00 0.00 O ATOM 601 CB ALA T 39 -5.670 -2.412 8.255 1.00 0.00 C ATOM 0 H ALA T 39 -3.830 -3.099 9.904 1.00 0.00 H new ATOM 0 HA ALA T 39 -6.758 -3.371 9.815 1.00 0.00 H new ATOM 0 HB1 ALA T 39 -6.477 -2.513 7.529 1.00 0.00 H new ATOM 0 HB2 ALA T 39 -5.730 -1.433 8.730 1.00 0.00 H new ATOM 0 HB3 ALA T 39 -4.711 -2.511 7.747 1.00 0.00 H new ATOM 607 N ARG T 40 -4.553 -5.420 8.590 1.00 0.00 N ATOM 608 CA ARG T 40 -4.340 -6.734 8.018 1.00 0.00 C ATOM 609 C ARG T 40 -4.882 -7.801 8.954 1.00 0.00 C ATOM 610 O ARG T 40 -5.362 -8.848 8.518 1.00 0.00 O ATOM 611 CB ARG T 40 -2.847 -6.955 7.796 1.00 0.00 C ATOM 612 CG ARG T 40 -2.481 -8.395 7.480 1.00 0.00 C ATOM 613 CD ARG T 40 -1.861 -9.095 8.679 1.00 0.00 C ATOM 614 NE ARG T 40 -2.565 -10.327 9.023 1.00 0.00 N ATOM 615 CZ ARG T 40 -2.162 -11.535 8.646 1.00 0.00 C ATOM 616 NH1 ARG T 40 -1.064 -11.673 7.914 1.00 0.00 N ATOM 617 NH2 ARG T 40 -2.856 -12.608 8.998 1.00 0.00 N ATOM 0 H ARG T 40 -3.702 -4.966 8.921 1.00 0.00 H new ATOM 0 HA ARG T 40 -4.863 -6.800 7.064 1.00 0.00 H new ATOM 0 HB2 ARG T 40 -2.512 -6.317 6.978 1.00 0.00 H new ATOM 0 HB3 ARG T 40 -2.306 -6.640 8.688 1.00 0.00 H new ATOM 0 HG2 ARG T 40 -3.373 -8.936 7.164 1.00 0.00 H new ATOM 0 HG3 ARG T 40 -1.782 -8.418 6.644 1.00 0.00 H new ATOM 0 HD2 ARG T 40 -0.817 -9.323 8.465 1.00 0.00 H new ATOM 0 HD3 ARG T 40 -1.871 -8.421 9.536 1.00 0.00 H new ATOM 0 HE ARG T 40 -3.414 -10.256 9.584 1.00 0.00 H new ATOM 0 HH11 ARG T 40 -0.527 -10.850 7.640 1.00 0.00 H new ATOM 0 HH12 ARG T 40 -0.757 -12.602 7.626 1.00 0.00 H new ATOM 0 HH21 ARG T 40 -3.701 -12.507 9.560 1.00 0.00 H new ATOM 0 HH22 ARG T 40 -2.545 -13.535 8.707 1.00 0.00 H new ATOM 631 N LYS T 41 -4.793 -7.526 10.250 1.00 0.00 N ATOM 632 CA LYS T 41 -5.265 -8.460 11.260 1.00 0.00 C ATOM 633 C LYS T 41 -6.788 -8.562 11.255 1.00 0.00 C ATOM 634 O LYS T 41 -7.354 -9.505 11.806 1.00 0.00 O ATOM 635 CB LYS T 41 -4.773 -8.039 12.646 1.00 0.00 C ATOM 636 CG LYS T 41 -3.306 -7.646 12.673 1.00 0.00 C ATOM 637 CD LYS T 41 -2.712 -7.799 14.063 1.00 0.00 C ATOM 638 CE LYS T 41 -1.644 -8.880 14.097 1.00 0.00 C ATOM 639 NZ LYS T 41 -2.179 -10.202 13.667 1.00 0.00 N ATOM 0 H LYS T 41 -4.398 -6.663 10.624 1.00 0.00 H new ATOM 0 HA LYS T 41 -4.859 -9.442 11.019 1.00 0.00 H new ATOM 0 HB2 LYS T 41 -5.373 -7.199 12.996 1.00 0.00 H new ATOM 0 HB3 LYS T 41 -4.934 -8.860 13.345 1.00 0.00 H new ATOM 0 HG2 LYS T 41 -2.750 -8.265 11.969 1.00 0.00 H new ATOM 0 HG3 LYS T 41 -3.199 -6.613 12.343 1.00 0.00 H new ATOM 0 HD2 LYS T 41 -2.281 -6.850 14.382 1.00 0.00 H new ATOM 0 HD3 LYS T 41 -3.502 -8.044 14.772 1.00 0.00 H new ATOM 0 HE2 LYS T 41 -0.817 -8.594 13.447 1.00 0.00 H new ATOM 0 HE3 LYS T 41 -1.242 -8.962 15.107 1.00 0.00 H new ATOM 0 HZ1 LYS T 41 -1.574 -10.960 14.042 1.00 0.00 H new ATOM 0 HZ2 LYS T 41 -3.146 -10.320 14.030 1.00 0.00 H new ATOM 0 HZ3 LYS T 41 -2.191 -10.250 12.628 1.00 0.00 H new ATOM 653 N ILE T 42 -7.445 -7.592 10.629 1.00 0.00 N ATOM 654 CA ILE T 42 -8.897 -7.585 10.555 1.00 0.00 C ATOM 655 C ILE T 42 -9.374 -8.326 9.312 1.00 0.00 C ATOM 656 O ILE T 42 -10.549 -8.675 9.193 1.00 0.00 O ATOM 657 CB ILE T 42 -9.444 -6.147 10.524 1.00 0.00 C ATOM 658 CG1 ILE T 42 -9.251 -5.546 9.133 1.00 0.00 C ATOM 659 CG2 ILE T 42 -8.751 -5.297 11.577 1.00 0.00 C ATOM 660 CD1 ILE T 42 -10.475 -4.831 8.604 1.00 0.00 C ATOM 0 H ILE T 42 -6.994 -6.803 10.167 1.00 0.00 H new ATOM 0 HA ILE T 42 -9.272 -8.088 11.446 1.00 0.00 H new ATOM 0 HB ILE T 42 -10.510 -6.168 10.749 1.00 0.00 H new ATOM 0 HG12 ILE T 42 -8.416 -4.846 9.162 1.00 0.00 H new ATOM 0 HG13 ILE T 42 -8.977 -6.340 8.439 1.00 0.00 H new ATOM 0 HG21 ILE T 42 -9.147 -4.282 11.544 1.00 0.00 H new ATOM 0 HG22 ILE T 42 -8.929 -5.724 12.564 1.00 0.00 H new ATOM 0 HG23 ILE T 42 -7.679 -5.274 11.379 1.00 0.00 H new ATOM 0 HD11 ILE T 42 -10.263 -4.431 7.613 1.00 0.00 H new ATOM 0 HD12 ILE T 42 -11.307 -5.532 8.542 1.00 0.00 H new ATOM 0 HD13 ILE T 42 -10.738 -4.014 9.276 1.00 0.00 H new ATOM 672 N GLY T 43 -8.449 -8.561 8.387 1.00 0.00 N ATOM 673 CA GLY T 43 -8.782 -9.255 7.160 1.00 0.00 C ATOM 674 C GLY T 43 -8.367 -8.468 5.932 1.00 0.00 C ATOM 675 O GLY T 43 -8.845 -8.733 4.829 1.00 0.00 O ATOM 0 H GLY T 43 -7.471 -8.281 8.467 1.00 0.00 H new ATOM 0 HA2 GLY T 43 -8.292 -10.228 7.150 1.00 0.00 H new ATOM 0 HA3 GLY T 43 -9.856 -9.439 7.127 1.00 0.00 H new ATOM 679 N PHE T 44 -7.477 -7.498 6.122 1.00 0.00 N ATOM 680 CA PHE T 44 -7.004 -6.673 5.017 1.00 0.00 C ATOM 681 C PHE T 44 -5.927 -7.398 4.215 1.00 0.00 C ATOM 682 O PHE T 44 -4.825 -7.637 4.710 1.00 0.00 O ATOM 683 CB PHE T 44 -6.458 -5.344 5.543 1.00 0.00 C ATOM 684 CG PHE T 44 -6.421 -4.248 4.513 1.00 0.00 C ATOM 685 CD1 PHE T 44 -6.932 -4.455 3.241 1.00 0.00 C ATOM 686 CD2 PHE T 44 -5.876 -3.010 4.819 1.00 0.00 C ATOM 687 CE1 PHE T 44 -6.901 -3.449 2.294 1.00 0.00 C ATOM 688 CE2 PHE T 44 -5.843 -2.000 3.875 1.00 0.00 C ATOM 689 CZ PHE T 44 -6.355 -2.220 2.612 1.00 0.00 C ATOM 0 H PHE T 44 -7.071 -7.265 7.028 1.00 0.00 H new ATOM 0 HA PHE T 44 -7.849 -6.476 4.357 1.00 0.00 H new ATOM 0 HB2 PHE T 44 -7.071 -5.018 6.384 1.00 0.00 H new ATOM 0 HB3 PHE T 44 -5.450 -5.503 5.926 1.00 0.00 H new ATOM 0 HD1 PHE T 44 -7.359 -5.414 2.987 1.00 0.00 H new ATOM 0 HD2 PHE T 44 -5.473 -2.833 5.805 1.00 0.00 H new ATOM 0 HE1 PHE T 44 -7.303 -3.623 1.307 1.00 0.00 H new ATOM 0 HE2 PHE T 44 -5.417 -1.040 4.126 1.00 0.00 H new ATOM 0 HZ PHE T 44 -6.329 -1.433 1.873 1.00 0.00 H new ATOM 699 N HIS T 45 -6.253 -7.745 2.973 1.00 0.00 N ATOM 700 CA HIS T 45 -5.314 -8.442 2.100 1.00 0.00 C ATOM 701 C HIS T 45 -5.314 -7.830 0.703 1.00 0.00 C ATOM 702 O HIS T 45 -6.357 -7.739 0.055 1.00 0.00 O ATOM 703 CB HIS T 45 -5.668 -9.929 2.017 1.00 0.00 C ATOM 704 CG HIS T 45 -4.735 -10.732 1.160 1.00 0.00 C ATOM 705 ND1 HIS T 45 -4.349 -12.020 1.469 1.00 0.00 N ATOM 706 CD2 HIS T 45 -4.113 -10.425 -0.003 1.00 0.00 C ATOM 707 CE1 HIS T 45 -3.529 -12.467 0.533 1.00 0.00 C ATOM 708 NE2 HIS T 45 -3.371 -11.520 -0.370 1.00 0.00 N ATOM 0 H HIS T 45 -7.161 -7.555 2.549 1.00 0.00 H new ATOM 0 HA HIS T 45 -4.316 -8.336 2.525 1.00 0.00 H new ATOM 0 HB2 HIS T 45 -5.671 -10.348 3.023 1.00 0.00 H new ATOM 0 HB3 HIS T 45 -6.681 -10.030 1.626 1.00 0.00 H new ATOM 0 HD2 HIS T 45 -4.187 -9.492 -0.542 1.00 0.00 H new ATOM 0 HE1 HIS T 45 -3.067 -13.443 0.512 1.00 0.00 H new ATOM 0 HE2 HIS T 45 -2.791 -11.590 -1.206 1.00 0.00 H new ATOM 717 N VAL T 46 -4.137 -7.416 0.244 1.00 0.00 N ATOM 718 CA VAL T 46 -4.002 -6.818 -1.079 1.00 0.00 C ATOM 719 C VAL T 46 -2.686 -7.223 -1.736 1.00 0.00 C ATOM 720 O VAL T 46 -1.672 -6.541 -1.586 1.00 0.00 O ATOM 721 CB VAL T 46 -4.073 -5.279 -1.021 1.00 0.00 C ATOM 722 CG1 VAL T 46 -4.800 -4.735 -2.238 1.00 0.00 C ATOM 723 CG2 VAL T 46 -4.752 -4.812 0.257 1.00 0.00 C ATOM 0 H VAL T 46 -3.265 -7.484 0.768 1.00 0.00 H new ATOM 0 HA VAL T 46 -4.837 -7.190 -1.672 1.00 0.00 H new ATOM 0 HB VAL T 46 -3.054 -4.893 -1.023 1.00 0.00 H new ATOM 0 HG11 VAL T 46 -4.841 -3.647 -2.181 1.00 0.00 H new ATOM 0 HG12 VAL T 46 -4.268 -5.031 -3.142 1.00 0.00 H new ATOM 0 HG13 VAL T 46 -5.813 -5.135 -2.266 1.00 0.00 H new ATOM 0 HG21 VAL T 46 -4.789 -3.723 0.272 1.00 0.00 H new ATOM 0 HG22 VAL T 46 -5.766 -5.210 0.297 1.00 0.00 H new ATOM 0 HG23 VAL T 46 -4.189 -5.168 1.119 1.00 0.00 H new ATOM 733 N CYS T 47 -2.709 -8.334 -2.465 1.00 0.00 N ATOM 734 CA CYS T 47 -1.516 -8.824 -3.148 1.00 0.00 C ATOM 735 C CYS T 47 -1.057 -7.834 -4.212 1.00 0.00 C ATOM 736 O CYS T 47 -1.411 -7.960 -5.384 1.00 0.00 O ATOM 737 CB CYS T 47 -1.789 -10.187 -3.785 1.00 0.00 C ATOM 738 SG CYS T 47 -0.287 -11.070 -4.320 1.00 0.00 S ATOM 0 H CYS T 47 -3.539 -8.912 -2.598 1.00 0.00 H new ATOM 0 HA CYS T 47 -0.722 -8.931 -2.409 1.00 0.00 H new ATOM 0 HB2 CYS T 47 -2.328 -10.809 -3.071 1.00 0.00 H new ATOM 0 HB3 CYS T 47 -2.443 -10.050 -4.646 1.00 0.00 H new ATOM 743 N ALA T 48 -0.269 -6.848 -3.792 1.00 0.00 N ATOM 744 CA ALA T 48 0.239 -5.828 -4.705 1.00 0.00 C ATOM 745 C ALA T 48 0.959 -4.725 -3.940 1.00 0.00 C ATOM 746 O ALA T 48 0.353 -4.027 -3.127 1.00 0.00 O ATOM 747 CB ALA T 48 -0.898 -5.242 -5.528 1.00 0.00 C ATOM 0 H ALA T 48 0.032 -6.734 -2.824 1.00 0.00 H new ATOM 0 HA ALA T 48 0.954 -6.300 -5.379 1.00 0.00 H new ATOM 0 HB1 ALA T 48 -0.504 -4.483 -6.204 1.00 0.00 H new ATOM 0 HB2 ALA T 48 -1.373 -6.033 -6.108 1.00 0.00 H new ATOM 0 HB3 ALA T 48 -1.633 -4.789 -4.863 1.00 0.00 H new ATOM 753 N ALA T 49 2.253 -4.570 -4.206 1.00 0.00 N ATOM 754 CA ALA T 49 3.051 -3.547 -3.541 1.00 0.00 C ATOM 755 C ALA T 49 2.246 -2.266 -3.360 1.00 0.00 C ATOM 756 O ALA T 49 1.880 -1.609 -4.332 1.00 0.00 O ATOM 757 CB ALA T 49 4.319 -3.268 -4.334 1.00 0.00 C ATOM 0 H ALA T 49 2.770 -5.139 -4.876 1.00 0.00 H new ATOM 0 HA ALA T 49 3.329 -3.917 -2.554 1.00 0.00 H new ATOM 0 HB1 ALA T 49 4.905 -2.502 -3.826 1.00 0.00 H new ATOM 0 HB2 ALA T 49 4.907 -4.182 -4.413 1.00 0.00 H new ATOM 0 HB3 ALA T 49 4.055 -2.919 -5.332 1.00 0.00 H new ATOM 763 N GLY T 50 1.966 -1.920 -2.108 1.00 0.00 N ATOM 764 CA GLY T 50 1.200 -0.721 -1.828 1.00 0.00 C ATOM 765 C GLY T 50 2.019 0.358 -1.150 1.00 0.00 C ATOM 766 O GLY T 50 2.650 0.116 -0.122 1.00 0.00 O ATOM 0 H GLY T 50 2.255 -2.447 -1.284 1.00 0.00 H new ATOM 0 HA2 GLY T 50 0.794 -0.329 -2.761 1.00 0.00 H new ATOM 0 HA3 GLY T 50 0.351 -0.978 -1.194 1.00 0.00 H new ATOM 770 N TRP T 51 2.008 1.550 -1.734 1.00 0.00 N ATOM 771 CA TRP T 51 2.755 2.677 -1.189 1.00 0.00 C ATOM 772 C TRP T 51 2.329 2.988 0.242 1.00 0.00 C ATOM 773 O TRP T 51 1.178 2.770 0.621 1.00 0.00 O ATOM 774 CB TRP T 51 2.563 3.910 -2.070 1.00 0.00 C ATOM 775 CG TRP T 51 3.424 3.896 -3.291 1.00 0.00 C ATOM 776 CD1 TRP T 51 3.026 3.659 -4.574 1.00 0.00 C ATOM 777 CD2 TRP T 51 4.836 4.120 -3.341 1.00 0.00 C ATOM 778 NE1 TRP T 51 4.108 3.721 -5.422 1.00 0.00 N ATOM 779 CE2 TRP T 51 5.230 4.005 -4.687 1.00 0.00 C ATOM 780 CE3 TRP T 51 5.803 4.410 -2.376 1.00 0.00 C ATOM 781 CZ2 TRP T 51 6.553 4.169 -5.090 1.00 0.00 C ATOM 782 CZ3 TRP T 51 7.114 4.573 -2.775 1.00 0.00 C ATOM 783 CH2 TRP T 51 7.481 4.452 -4.122 1.00 0.00 C ATOM 0 H TRP T 51 1.489 1.761 -2.586 1.00 0.00 H new ATOM 0 HA TRP T 51 3.810 2.403 -1.175 1.00 0.00 H new ATOM 0 HB2 TRP T 51 1.517 3.976 -2.371 1.00 0.00 H new ATOM 0 HB3 TRP T 51 2.784 4.804 -1.487 1.00 0.00 H new ATOM 0 HD1 TRP T 51 2.011 3.453 -4.879 1.00 0.00 H new ATOM 0 HE1 TRP T 51 4.080 3.579 -6.432 1.00 0.00 H new ATOM 0 HE3 TRP T 51 5.530 4.505 -1.336 1.00 0.00 H new ATOM 0 HZ2 TRP T 51 6.837 4.077 -6.128 1.00 0.00 H new ATOM 0 HZ3 TRP T 51 7.870 4.798 -2.037 1.00 0.00 H new ATOM 0 HH2 TRP T 51 8.515 4.584 -4.403 1.00 0.00 H new ATOM 794 N MET T 52 3.269 3.502 1.027 1.00 0.00 N ATOM 795 CA MET T 52 3.006 3.854 2.416 1.00 0.00 C ATOM 796 C MET T 52 4.168 4.653 2.996 1.00 0.00 C ATOM 797 O MET T 52 5.163 4.901 2.315 1.00 0.00 O ATOM 798 CB MET T 52 2.769 2.596 3.258 1.00 0.00 C ATOM 799 CG MET T 52 3.455 1.353 2.716 1.00 0.00 C ATOM 800 SD MET T 52 4.823 0.803 3.754 1.00 0.00 S ATOM 801 CE MET T 52 4.639 -0.975 3.644 1.00 0.00 C ATOM 0 H MET T 52 4.225 3.685 0.722 1.00 0.00 H new ATOM 0 HA MET T 52 2.106 4.469 2.443 1.00 0.00 H new ATOM 0 HB2 MET T 52 3.120 2.779 4.273 1.00 0.00 H new ATOM 0 HB3 MET T 52 1.697 2.409 3.320 1.00 0.00 H new ATOM 0 HG2 MET T 52 2.724 0.549 2.629 1.00 0.00 H new ATOM 0 HG3 MET T 52 3.826 1.557 1.711 1.00 0.00 H new ATOM 0 HE1 MET T 52 4.545 -1.394 4.646 1.00 0.00 H new ATOM 0 HE2 MET T 52 3.746 -1.213 3.066 1.00 0.00 H new ATOM 0 HE3 MET T 52 5.514 -1.402 3.153 1.00 0.00 H new ATOM 811 N ALA T 53 4.039 5.047 4.258 1.00 0.00 N ATOM 812 CA ALA T 53 5.081 5.812 4.930 1.00 0.00 C ATOM 813 C ALA T 53 5.522 7.008 4.093 1.00 0.00 C ATOM 814 O ALA T 53 4.855 7.390 3.131 1.00 0.00 O ATOM 815 CB ALA T 53 6.265 4.913 5.240 1.00 0.00 C ATOM 0 H ALA T 53 3.222 4.849 4.836 1.00 0.00 H new ATOM 0 HA ALA T 53 4.671 6.197 5.864 1.00 0.00 H new ATOM 0 HB1 ALA T 53 7.040 5.492 5.742 1.00 0.00 H new ATOM 0 HB2 ALA T 53 5.943 4.098 5.888 1.00 0.00 H new ATOM 0 HB3 ALA T 53 6.663 4.503 4.312 1.00 0.00 H new ATOM 821 N LYS T 54 6.649 7.596 4.474 1.00 0.00 N ATOM 822 CA LYS T 54 7.191 8.755 3.771 1.00 0.00 C ATOM 823 C LYS T 54 7.563 8.409 2.332 1.00 0.00 C ATOM 824 O LYS T 54 7.915 9.286 1.545 1.00 0.00 O ATOM 825 CB LYS T 54 8.419 9.290 4.507 1.00 0.00 C ATOM 826 CG LYS T 54 8.273 10.725 4.987 1.00 0.00 C ATOM 827 CD LYS T 54 8.569 10.857 6.472 1.00 0.00 C ATOM 828 CE LYS T 54 10.038 11.159 6.720 1.00 0.00 C ATOM 829 NZ LYS T 54 10.258 11.830 8.032 1.00 0.00 N ATOM 0 H LYS T 54 7.209 7.289 5.269 1.00 0.00 H new ATOM 0 HA LYS T 54 6.417 9.522 3.748 1.00 0.00 H new ATOM 0 HB2 LYS T 54 8.624 8.649 5.365 1.00 0.00 H new ATOM 0 HB3 LYS T 54 9.284 9.224 3.846 1.00 0.00 H new ATOM 0 HG2 LYS T 54 8.949 11.367 4.423 1.00 0.00 H new ATOM 0 HG3 LYS T 54 7.260 11.074 4.786 1.00 0.00 H new ATOM 0 HD2 LYS T 54 7.956 11.651 6.898 1.00 0.00 H new ATOM 0 HD3 LYS T 54 8.294 9.934 6.983 1.00 0.00 H new ATOM 0 HE2 LYS T 54 10.609 10.231 6.688 1.00 0.00 H new ATOM 0 HE3 LYS T 54 10.417 11.795 5.920 1.00 0.00 H new ATOM 0 HZ1 LYS T 54 11.273 12.017 8.160 1.00 0.00 H new ATOM 0 HZ2 LYS T 54 9.734 12.728 8.055 1.00 0.00 H new ATOM 0 HZ3 LYS T 54 9.920 11.213 8.798 1.00 0.00 H new ATOM 843 N GLY T 55 7.487 7.125 1.993 1.00 0.00 N ATOM 844 CA GLY T 55 7.823 6.694 0.650 1.00 0.00 C ATOM 845 C GLY T 55 8.198 5.227 0.612 1.00 0.00 C ATOM 846 O GLY T 55 8.857 4.771 -0.323 1.00 0.00 O ATOM 0 H GLY T 55 7.199 6.377 2.624 1.00 0.00 H new ATOM 0 HA2 GLY T 55 6.975 6.871 -0.012 1.00 0.00 H new ATOM 0 HA3 GLY T 55 8.652 7.292 0.272 1.00 0.00 H new ATOM 850 N ARG T 56 7.777 4.485 1.631 1.00 0.00 N ATOM 851 CA ARG T 56 8.072 3.060 1.711 1.00 0.00 C ATOM 852 C ARG T 56 6.926 2.234 1.137 1.00 0.00 C ATOM 853 O ARG T 56 5.764 2.440 1.487 1.00 0.00 O ATOM 854 CB ARG T 56 8.329 2.653 3.163 1.00 0.00 C ATOM 855 CG ARG T 56 9.805 2.569 3.520 1.00 0.00 C ATOM 856 CD ARG T 56 10.001 2.184 4.977 1.00 0.00 C ATOM 857 NE ARG T 56 10.563 3.279 5.763 1.00 0.00 N ATOM 858 CZ ARG T 56 11.001 3.141 7.011 1.00 0.00 C ATOM 859 NH1 ARG T 56 10.943 1.960 7.611 1.00 0.00 N ATOM 860 NH2 ARG T 56 11.497 4.186 7.659 1.00 0.00 N ATOM 0 H ARG T 56 7.231 4.847 2.412 1.00 0.00 H new ATOM 0 HA ARG T 56 8.968 2.866 1.121 1.00 0.00 H new ATOM 0 HB2 ARG T 56 7.844 3.371 3.824 1.00 0.00 H new ATOM 0 HB3 ARG T 56 7.863 1.685 3.348 1.00 0.00 H new ATOM 0 HG2 ARG T 56 10.295 1.836 2.879 1.00 0.00 H new ATOM 0 HG3 ARG T 56 10.283 3.530 3.328 1.00 0.00 H new ATOM 0 HD2 ARG T 56 9.044 1.885 5.405 1.00 0.00 H new ATOM 0 HD3 ARG T 56 10.661 1.319 5.037 1.00 0.00 H new ATOM 0 HE ARG T 56 10.623 4.201 5.331 1.00 0.00 H new ATOM 0 HH11 ARG T 56 10.562 1.154 7.115 1.00 0.00 H new ATOM 0 HH12 ARG T 56 11.280 1.857 8.568 1.00 0.00 H new ATOM 0 HH21 ARG T 56 11.543 5.096 7.200 1.00 0.00 H new ATOM 0 HH22 ARG T 56 11.833 4.080 8.616 1.00 0.00 H new ATOM 874 N VAL T 57 7.260 1.298 0.255 1.00 0.00 N ATOM 875 CA VAL T 57 6.258 0.438 -0.365 1.00 0.00 C ATOM 876 C VAL T 57 6.543 -1.029 -0.064 1.00 0.00 C ATOM 877 O VAL T 57 7.615 -1.543 -0.384 1.00 0.00 O ATOM 878 CB VAL T 57 6.205 0.647 -1.894 1.00 0.00 C ATOM 879 CG1 VAL T 57 7.521 1.215 -2.402 1.00 0.00 C ATOM 880 CG2 VAL T 57 5.866 -0.656 -2.606 1.00 0.00 C ATOM 0 H VAL T 57 8.217 1.115 -0.047 1.00 0.00 H new ATOM 0 HA VAL T 57 5.291 0.711 0.058 1.00 0.00 H new ATOM 0 HB VAL T 57 5.416 1.366 -2.114 1.00 0.00 H new ATOM 0 HG11 VAL T 57 7.464 1.355 -3.481 1.00 0.00 H new ATOM 0 HG12 VAL T 57 7.713 2.174 -1.921 1.00 0.00 H new ATOM 0 HG13 VAL T 57 8.330 0.523 -2.168 1.00 0.00 H new ATOM 0 HG21 VAL T 57 5.834 -0.485 -3.682 1.00 0.00 H new ATOM 0 HG22 VAL T 57 6.627 -1.403 -2.380 1.00 0.00 H new ATOM 0 HG23 VAL T 57 4.894 -1.014 -2.267 1.00 0.00 H new ATOM 890 N GLY T 58 5.578 -1.698 0.559 1.00 0.00 N ATOM 891 CA GLY T 58 5.745 -3.099 0.898 1.00 0.00 C ATOM 892 C GLY T 58 4.573 -3.947 0.447 1.00 0.00 C ATOM 893 O GLY T 58 3.674 -3.461 -0.240 1.00 0.00 O ATOM 0 H GLY T 58 4.683 -1.294 0.835 1.00 0.00 H new ATOM 0 HA2 GLY T 58 6.659 -3.474 0.439 1.00 0.00 H new ATOM 0 HA3 GLY T 58 5.867 -3.197 1.977 1.00 0.00 H new ATOM 897 N TYR T 59 4.583 -5.221 0.830 1.00 0.00 N ATOM 898 CA TYR T 59 3.513 -6.139 0.459 1.00 0.00 C ATOM 899 C TYR T 59 3.037 -6.934 1.672 1.00 0.00 C ATOM 900 O TYR T 59 3.685 -7.892 2.093 1.00 0.00 O ATOM 901 CB TYR T 59 3.991 -7.088 -0.643 1.00 0.00 C ATOM 902 CG TYR T 59 5.341 -6.707 -1.215 1.00 0.00 C ATOM 903 CD1 TYR T 59 5.468 -5.633 -2.089 1.00 0.00 C ATOM 904 CD2 TYR T 59 6.485 -7.421 -0.882 1.00 0.00 C ATOM 905 CE1 TYR T 59 6.698 -5.282 -2.613 1.00 0.00 C ATOM 906 CE2 TYR T 59 7.718 -7.074 -1.402 1.00 0.00 C ATOM 907 CZ TYR T 59 7.819 -6.006 -2.267 1.00 0.00 C ATOM 908 OH TYR T 59 9.045 -5.660 -2.788 1.00 0.00 O ATOM 0 H TYR T 59 5.320 -5.640 1.397 1.00 0.00 H new ATOM 0 HA TYR T 59 2.673 -5.555 0.083 1.00 0.00 H new ATOM 0 HB2 TYR T 59 4.046 -8.100 -0.243 1.00 0.00 H new ATOM 0 HB3 TYR T 59 3.254 -7.102 -1.446 1.00 0.00 H new ATOM 0 HD1 TYR T 59 4.592 -5.064 -2.363 1.00 0.00 H new ATOM 0 HD2 TYR T 59 6.410 -8.260 -0.206 1.00 0.00 H new ATOM 0 HE1 TYR T 59 6.780 -4.445 -3.290 1.00 0.00 H new ATOM 0 HE2 TYR T 59 8.599 -7.638 -1.131 1.00 0.00 H new ATOM 0 HH TYR T 59 9.754 -5.946 -2.175 1.00 0.00 H new ATOM 918 N PRO T 60 1.890 -6.540 2.251 1.00 0.00 N ATOM 919 CA PRO T 60 1.320 -7.212 3.426 1.00 0.00 C ATOM 920 C PRO T 60 0.983 -8.675 3.156 1.00 0.00 C ATOM 921 O PRO T 60 1.754 -9.572 3.497 1.00 0.00 O ATOM 922 CB PRO T 60 0.042 -6.417 3.720 1.00 0.00 C ATOM 923 CG PRO T 60 -0.256 -5.661 2.472 1.00 0.00 C ATOM 924 CD PRO T 60 1.064 -5.406 1.806 1.00 0.00 C ATOM 0 HA PRO T 60 2.025 -7.230 4.257 1.00 0.00 H new ATOM 0 HB2 PRO T 60 -0.781 -7.082 3.982 1.00 0.00 H new ATOM 0 HB3 PRO T 60 0.186 -5.741 4.563 1.00 0.00 H new ATOM 0 HG2 PRO T 60 -0.916 -6.233 1.820 1.00 0.00 H new ATOM 0 HG3 PRO T 60 -0.765 -4.724 2.698 1.00 0.00 H new ATOM 0 HD2 PRO T 60 0.969 -5.379 0.721 1.00 0.00 H new ATOM 0 HD3 PRO T 60 1.492 -4.451 2.112 1.00 0.00 H new ATOM 932 N ILE T 61 -0.176 -8.905 2.544 1.00 0.00 N ATOM 933 CA ILE T 61 -0.625 -10.256 2.228 1.00 0.00 C ATOM 934 C ILE T 61 -1.117 -10.979 3.477 1.00 0.00 C ATOM 935 O ILE T 61 -0.321 -11.393 4.320 1.00 0.00 O ATOM 936 CB ILE T 61 0.493 -11.092 1.574 1.00 0.00 C ATOM 937 CG1 ILE T 61 1.086 -10.347 0.375 1.00 0.00 C ATOM 938 CG2 ILE T 61 -0.042 -12.452 1.149 1.00 0.00 C ATOM 939 CD1 ILE T 61 0.225 -10.413 -0.866 1.00 0.00 C ATOM 0 H ILE T 61 -0.822 -8.170 2.257 1.00 0.00 H new ATOM 0 HA ILE T 61 -1.447 -10.152 1.520 1.00 0.00 H new ATOM 0 HB ILE T 61 1.285 -11.247 2.307 1.00 0.00 H new ATOM 0 HG12 ILE T 61 1.238 -9.302 0.646 1.00 0.00 H new ATOM 0 HG13 ILE T 61 2.067 -10.764 0.148 1.00 0.00 H new ATOM 0 HG21 ILE T 61 0.759 -13.031 0.689 1.00 0.00 H new ATOM 0 HG22 ILE T 61 -0.418 -12.984 2.023 1.00 0.00 H new ATOM 0 HG23 ILE T 61 -0.850 -12.317 0.431 1.00 0.00 H new ATOM 0 HD11 ILE T 61 0.708 -9.863 -1.674 1.00 0.00 H new ATOM 0 HD12 ILE T 61 0.094 -11.454 -1.163 1.00 0.00 H new ATOM 0 HD13 ILE T 61 -0.749 -9.970 -0.657 1.00 0.00 H new ATOM 951 N VAL T 62 -2.432 -11.128 3.589 1.00 0.00 N ATOM 952 CA VAL T 62 -3.029 -11.802 4.734 1.00 0.00 C ATOM 953 C VAL T 62 -2.890 -13.317 4.610 1.00 0.00 C ATOM 954 O VAL T 62 -2.758 -14.022 5.610 1.00 0.00 O ATOM 955 CB VAL T 62 -4.520 -11.437 4.888 1.00 0.00 C ATOM 956 CG1 VAL T 62 -5.400 -12.668 4.731 1.00 0.00 C ATOM 957 CG2 VAL T 62 -4.767 -10.761 6.228 1.00 0.00 C ATOM 0 H VAL T 62 -3.104 -10.791 2.900 1.00 0.00 H new ATOM 0 HA VAL T 62 -2.492 -11.464 5.620 1.00 0.00 H new ATOM 0 HB VAL T 62 -4.783 -10.735 4.097 1.00 0.00 H new ATOM 0 HG11 VAL T 62 -6.446 -12.384 4.844 1.00 0.00 H new ATOM 0 HG12 VAL T 62 -5.246 -13.102 3.743 1.00 0.00 H new ATOM 0 HG13 VAL T 62 -5.139 -13.402 5.494 1.00 0.00 H new ATOM 0 HG21 VAL T 62 -5.824 -10.510 6.320 1.00 0.00 H new ATOM 0 HG22 VAL T 62 -4.483 -11.437 7.034 1.00 0.00 H new ATOM 0 HG23 VAL T 62 -4.171 -9.850 6.291 1.00 0.00 H new ATOM 967 N LYS T 63 -2.921 -13.806 3.375 1.00 0.00 N ATOM 968 CA LYS T 63 -2.798 -15.236 3.114 1.00 0.00 C ATOM 969 C LYS T 63 -1.616 -15.520 2.191 1.00 0.00 C ATOM 970 O LYS T 63 -1.728 -15.407 0.970 1.00 0.00 O ATOM 971 CB LYS T 63 -4.086 -15.774 2.492 1.00 0.00 C ATOM 972 CG LYS T 63 -5.009 -16.457 3.487 1.00 0.00 C ATOM 973 CD LYS T 63 -5.050 -17.960 3.263 1.00 0.00 C ATOM 974 CE LYS T 63 -6.457 -18.448 2.961 1.00 0.00 C ATOM 975 NZ LYS T 63 -6.469 -19.536 1.944 1.00 0.00 N ATOM 0 H LYS T 63 -3.030 -13.233 2.538 1.00 0.00 H new ATOM 0 HA LYS T 63 -2.624 -15.741 4.064 1.00 0.00 H new ATOM 0 HB2 LYS T 63 -4.622 -14.951 2.020 1.00 0.00 H new ATOM 0 HB3 LYS T 63 -3.830 -16.482 1.704 1.00 0.00 H new ATOM 0 HG2 LYS T 63 -4.671 -16.248 4.502 1.00 0.00 H new ATOM 0 HG3 LYS T 63 -6.014 -16.046 3.395 1.00 0.00 H new ATOM 0 HD2 LYS T 63 -4.389 -18.222 2.437 1.00 0.00 H new ATOM 0 HD3 LYS T 63 -4.671 -18.470 4.149 1.00 0.00 H new ATOM 0 HE2 LYS T 63 -6.920 -18.807 3.880 1.00 0.00 H new ATOM 0 HE3 LYS T 63 -7.061 -17.613 2.605 1.00 0.00 H new ATOM 0 HZ1 LYS T 63 -7.449 -19.837 1.770 1.00 0.00 H new ATOM 0 HZ2 LYS T 63 -6.051 -19.187 1.058 1.00 0.00 H new ATOM 0 HZ3 LYS T 63 -5.915 -20.344 2.293 1.00 0.00 H new ATOM 989 N PRO T 64 -0.464 -15.894 2.768 1.00 0.00 N ATOM 990 CA PRO T 64 0.748 -16.195 1.996 1.00 0.00 C ATOM 991 C PRO T 64 0.509 -17.266 0.937 1.00 0.00 C ATOM 992 O PRO T 64 0.473 -18.459 1.244 1.00 0.00 O ATOM 993 CB PRO T 64 1.733 -16.698 3.052 1.00 0.00 C ATOM 994 CG PRO T 64 1.238 -16.151 4.346 1.00 0.00 C ATOM 995 CD PRO T 64 -0.255 -16.049 4.220 1.00 0.00 C ATOM 0 HA PRO T 64 1.104 -15.324 1.446 1.00 0.00 H new ATOM 0 HB2 PRO T 64 1.765 -17.787 3.072 1.00 0.00 H new ATOM 0 HB3 PRO T 64 2.745 -16.353 2.841 1.00 0.00 H new ATOM 0 HG2 PRO T 64 1.514 -16.803 5.174 1.00 0.00 H new ATOM 0 HG3 PRO T 64 1.678 -15.175 4.549 1.00 0.00 H new ATOM 0 HD2 PRO T 64 -0.753 -16.939 4.605 1.00 0.00 H new ATOM 0 HD3 PRO T 64 -0.648 -15.198 4.776 1.00 0.00 H new ATOM 1003 N GLY T 65 0.350 -16.835 -0.309 1.00 0.00 N ATOM 1004 CA GLY T 65 0.119 -17.769 -1.396 1.00 0.00 C ATOM 1005 C GLY T 65 1.397 -18.126 -2.130 1.00 0.00 C ATOM 1006 O GLY T 65 2.492 -17.818 -1.661 1.00 0.00 O ATOM 0 H GLY T 65 0.377 -15.854 -0.587 1.00 0.00 H new ATOM 0 HA2 GLY T 65 -0.336 -18.677 -1.001 1.00 0.00 H new ATOM 0 HA3 GLY T 65 -0.592 -17.336 -2.099 1.00 0.00 H new ATOM 1010 N PRO T 66 1.284 -18.784 -3.295 1.00 0.00 N ATOM 1011 CA PRO T 66 2.447 -19.183 -4.093 1.00 0.00 C ATOM 1012 C PRO T 66 3.130 -17.991 -4.757 1.00 0.00 C ATOM 1013 O PRO T 66 4.044 -17.394 -4.191 1.00 0.00 O ATOM 1014 CB PRO T 66 1.848 -20.114 -5.147 1.00 0.00 C ATOM 1015 CG PRO T 66 0.431 -19.676 -5.282 1.00 0.00 C ATOM 1016 CD PRO T 66 0.012 -19.188 -3.922 1.00 0.00 C ATOM 0 HA PRO T 66 3.221 -19.649 -3.484 1.00 0.00 H new ATOM 0 HB2 PRO T 66 2.379 -20.032 -6.095 1.00 0.00 H new ATOM 0 HB3 PRO T 66 1.912 -21.157 -4.836 1.00 0.00 H new ATOM 0 HG2 PRO T 66 0.337 -18.885 -6.026 1.00 0.00 H new ATOM 0 HG3 PRO T 66 -0.202 -20.500 -5.612 1.00 0.00 H new ATOM 0 HD2 PRO T 66 -0.684 -18.352 -3.992 1.00 0.00 H new ATOM 0 HD3 PRO T 66 -0.486 -19.971 -3.350 1.00 0.00 H new ATOM 1024 N ASN T 67 2.680 -17.651 -5.961 1.00 0.00 N ATOM 1025 CA ASN T 67 3.247 -16.531 -6.700 1.00 0.00 C ATOM 1026 C ASN T 67 2.748 -15.204 -6.141 1.00 0.00 C ATOM 1027 O ASN T 67 3.291 -14.144 -6.449 1.00 0.00 O ATOM 1028 CB ASN T 67 2.889 -16.642 -8.184 1.00 0.00 C ATOM 1029 CG ASN T 67 1.675 -15.811 -8.551 1.00 0.00 C ATOM 1030 OD1 ASN T 67 1.767 -14.874 -9.345 1.00 0.00 O ATOM 1031 ND2 ASN T 67 0.528 -16.152 -7.974 1.00 0.00 N ATOM 0 H ASN T 67 1.924 -18.136 -6.445 1.00 0.00 H new ATOM 0 HA ASN T 67 4.331 -16.565 -6.591 1.00 0.00 H new ATOM 0 HB2 ASN T 67 3.740 -16.322 -8.785 1.00 0.00 H new ATOM 0 HB3 ASN T 67 2.699 -17.686 -8.432 1.00 0.00 H new ATOM 0 HD21 ASN T 67 -0.323 -15.630 -8.183 1.00 0.00 H new ATOM 0 HD22 ASN T 67 0.498 -16.936 -7.322 1.00 0.00 H new ATOM 1038 N CYS T 68 1.707 -15.270 -5.316 1.00 0.00 N ATOM 1039 CA CYS T 68 1.132 -14.075 -4.712 1.00 0.00 C ATOM 1040 C CYS T 68 1.418 -14.030 -3.214 1.00 0.00 C ATOM 1041 O CYS T 68 0.508 -13.862 -2.403 1.00 0.00 O ATOM 1042 CB CYS T 68 -0.377 -14.034 -4.957 1.00 0.00 C ATOM 1043 SG CYS T 68 -0.978 -12.453 -5.635 1.00 0.00 S ATOM 0 H CYS T 68 1.245 -16.140 -5.051 1.00 0.00 H new ATOM 0 HA CYS T 68 1.594 -13.204 -5.176 1.00 0.00 H new ATOM 0 HB2 CYS T 68 -0.645 -14.837 -5.644 1.00 0.00 H new ATOM 0 HB3 CYS T 68 -0.892 -14.233 -4.017 1.00 0.00 H new ATOM 1048 N GLY T 69 2.689 -14.180 -2.855 1.00 0.00 N ATOM 1049 CA GLY T 69 3.071 -14.153 -1.455 1.00 0.00 C ATOM 1050 C GLY T 69 4.428 -14.790 -1.224 1.00 0.00 C ATOM 1051 O GLY T 69 5.115 -14.468 -0.255 1.00 0.00 O ATOM 0 H GLY T 69 3.460 -14.320 -3.508 1.00 0.00 H new ATOM 0 HA2 GLY T 69 3.090 -13.121 -1.104 1.00 0.00 H new ATOM 0 HA3 GLY T 69 2.319 -14.676 -0.864 1.00 0.00 H new ATOM 1055 N PHE T 70 4.816 -15.695 -2.118 1.00 0.00 N ATOM 1056 CA PHE T 70 6.098 -16.379 -2.009 1.00 0.00 C ATOM 1057 C PHE T 70 6.300 -16.935 -0.602 1.00 0.00 C ATOM 1058 O PHE T 70 7.421 -16.988 -0.097 1.00 0.00 O ATOM 1059 CB PHE T 70 7.235 -15.419 -2.367 1.00 0.00 C ATOM 1060 CG PHE T 70 8.586 -16.072 -2.442 1.00 0.00 C ATOM 1061 CD1 PHE T 70 8.836 -17.074 -3.366 1.00 0.00 C ATOM 1062 CD2 PHE T 70 9.607 -15.683 -1.588 1.00 0.00 C ATOM 1063 CE1 PHE T 70 10.078 -17.676 -3.437 1.00 0.00 C ATOM 1064 CE2 PHE T 70 10.851 -16.282 -1.655 1.00 0.00 C ATOM 1065 CZ PHE T 70 11.086 -17.279 -2.580 1.00 0.00 C ATOM 0 H PHE T 70 4.259 -15.971 -2.927 1.00 0.00 H new ATOM 0 HA PHE T 70 6.103 -17.215 -2.709 1.00 0.00 H new ATOM 0 HB2 PHE T 70 7.014 -14.953 -3.327 1.00 0.00 H new ATOM 0 HB3 PHE T 70 7.269 -14.621 -1.626 1.00 0.00 H new ATOM 0 HD1 PHE T 70 8.051 -17.388 -4.038 1.00 0.00 H new ATOM 0 HD2 PHE T 70 9.428 -14.903 -0.862 1.00 0.00 H new ATOM 0 HE1 PHE T 70 10.260 -18.456 -4.162 1.00 0.00 H new ATOM 0 HE2 PHE T 70 11.638 -15.970 -0.984 1.00 0.00 H new ATOM 0 HZ PHE T 70 12.057 -17.748 -2.634 1.00 0.00 H new ATOM 1075 N GLY T 71 5.204 -17.350 0.026 1.00 0.00 N ATOM 1076 CA GLY T 71 5.281 -17.897 1.367 1.00 0.00 C ATOM 1077 C GLY T 71 5.841 -16.890 2.352 1.00 0.00 C ATOM 1078 O GLY T 71 6.644 -17.239 3.217 1.00 0.00 O ATOM 0 H GLY T 71 4.265 -17.317 -0.370 1.00 0.00 H new ATOM 0 HA2 GLY T 71 4.288 -18.209 1.690 1.00 0.00 H new ATOM 0 HA3 GLY T 71 5.909 -18.788 1.361 1.00 0.00 H new ATOM 1082 N LYS T 72 5.418 -15.637 2.221 1.00 0.00 N ATOM 1083 CA LYS T 72 5.883 -14.577 3.107 1.00 0.00 C ATOM 1084 C LYS T 72 4.816 -14.222 4.138 1.00 0.00 C ATOM 1085 O LYS T 72 3.620 -14.347 3.875 1.00 0.00 O ATOM 1086 CB LYS T 72 6.261 -13.335 2.300 1.00 0.00 C ATOM 1087 CG LYS T 72 7.540 -13.504 1.496 1.00 0.00 C ATOM 1088 CD LYS T 72 7.594 -12.537 0.324 1.00 0.00 C ATOM 1089 CE LYS T 72 9.026 -12.258 -0.102 1.00 0.00 C ATOM 1090 NZ LYS T 72 9.106 -11.841 -1.530 1.00 0.00 N ATOM 0 H LYS T 72 4.754 -15.331 1.510 1.00 0.00 H new ATOM 0 HA LYS T 72 6.765 -14.941 3.633 1.00 0.00 H new ATOM 0 HB2 LYS T 72 5.444 -13.089 1.622 1.00 0.00 H new ATOM 0 HB3 LYS T 72 6.377 -12.491 2.979 1.00 0.00 H new ATOM 0 HG2 LYS T 72 8.402 -13.341 2.143 1.00 0.00 H new ATOM 0 HG3 LYS T 72 7.607 -14.528 1.128 1.00 0.00 H new ATOM 0 HD2 LYS T 72 7.037 -12.951 -0.517 1.00 0.00 H new ATOM 0 HD3 LYS T 72 7.106 -11.602 0.600 1.00 0.00 H new ATOM 0 HE2 LYS T 72 9.447 -11.476 0.529 1.00 0.00 H new ATOM 0 HE3 LYS T 72 9.631 -13.151 0.050 1.00 0.00 H new ATOM 0 HZ1 LYS T 72 10.098 -11.660 -1.784 1.00 0.00 H new ATOM 0 HZ2 LYS T 72 8.727 -12.598 -2.134 1.00 0.00 H new ATOM 0 HZ3 LYS T 72 8.549 -10.974 -1.670 1.00 0.00 H new ATOM 1104 N THR T 73 5.258 -13.780 5.310 1.00 0.00 N ATOM 1105 CA THR T 73 4.344 -13.410 6.380 1.00 0.00 C ATOM 1106 C THR T 73 4.565 -11.966 6.820 1.00 0.00 C ATOM 1107 O THR T 73 5.693 -11.554 7.091 1.00 0.00 O ATOM 1108 CB THR T 73 4.511 -14.333 7.598 1.00 0.00 C ATOM 1109 OG1 THR T 73 5.808 -14.942 7.579 1.00 0.00 O ATOM 1110 CG2 THR T 73 3.440 -15.414 7.609 1.00 0.00 C ATOM 0 H THR T 73 6.245 -13.670 5.542 1.00 0.00 H new ATOM 0 HA THR T 73 3.334 -13.515 5.984 1.00 0.00 H new ATOM 0 HB THR T 73 4.406 -13.729 8.499 1.00 0.00 H new ATOM 0 HG1 THR T 73 5.906 -15.527 8.359 1.00 0.00 H new ATOM 0 HG21 THR T 73 3.579 -16.055 8.480 1.00 0.00 H new ATOM 0 HG22 THR T 73 2.455 -14.950 7.653 1.00 0.00 H new ATOM 0 HG23 THR T 73 3.518 -16.013 6.702 1.00 0.00 H new ATOM 1118 N GLY T 74 3.479 -11.203 6.891 1.00 0.00 N ATOM 1119 CA GLY T 74 3.572 -9.813 7.300 1.00 0.00 C ATOM 1120 C GLY T 74 3.914 -8.901 6.139 1.00 0.00 C ATOM 1121 O GLY T 74 4.298 -9.365 5.066 1.00 0.00 O ATOM 0 H GLY T 74 2.535 -11.523 6.672 1.00 0.00 H new ATOM 0 HA2 GLY T 74 2.625 -9.500 7.740 1.00 0.00 H new ATOM 0 HA3 GLY T 74 4.332 -9.713 8.075 1.00 0.00 H new ATOM 1125 N ILE T 75 3.770 -7.598 6.356 1.00 0.00 N ATOM 1126 CA ILE T 75 4.062 -6.613 5.323 1.00 0.00 C ATOM 1127 C ILE T 75 5.537 -6.626 4.943 1.00 0.00 C ATOM 1128 O ILE T 75 6.376 -6.059 5.644 1.00 0.00 O ATOM 1129 CB ILE T 75 3.672 -5.199 5.781 1.00 0.00 C ATOM 1130 CG1 ILE T 75 2.290 -5.220 6.434 1.00 0.00 C ATOM 1131 CG2 ILE T 75 3.700 -4.234 4.606 1.00 0.00 C ATOM 1132 CD1 ILE T 75 2.321 -5.498 7.920 1.00 0.00 C ATOM 0 H ILE T 75 3.452 -7.200 7.240 1.00 0.00 H new ATOM 0 HA ILE T 75 3.469 -6.885 4.450 1.00 0.00 H new ATOM 0 HB ILE T 75 4.397 -4.856 6.519 1.00 0.00 H new ATOM 0 HG12 ILE T 75 1.803 -4.260 6.264 1.00 0.00 H new ATOM 0 HG13 ILE T 75 1.679 -5.978 5.945 1.00 0.00 H new ATOM 0 HG21 ILE T 75 3.421 -3.237 4.947 1.00 0.00 H new ATOM 0 HG22 ILE T 75 4.704 -4.205 4.183 1.00 0.00 H new ATOM 0 HG23 ILE T 75 2.995 -4.567 3.845 1.00 0.00 H new ATOM 0 HD11 ILE T 75 1.304 -5.497 8.312 1.00 0.00 H new ATOM 0 HD12 ILE T 75 2.778 -6.472 8.099 1.00 0.00 H new ATOM 0 HD13 ILE T 75 2.904 -4.726 8.422 1.00 0.00 H new ATOM 1144 N ILE T 76 5.841 -7.275 3.827 1.00 0.00 N ATOM 1145 CA ILE T 76 7.211 -7.367 3.340 1.00 0.00 C ATOM 1146 C ILE T 76 7.710 -6.014 2.843 1.00 0.00 C ATOM 1147 O ILE T 76 7.602 -5.698 1.657 1.00 0.00 O ATOM 1148 CB ILE T 76 7.326 -8.395 2.199 1.00 0.00 C ATOM 1149 CG1 ILE T 76 6.501 -9.642 2.522 1.00 0.00 C ATOM 1150 CG2 ILE T 76 8.781 -8.761 1.956 1.00 0.00 C ATOM 1151 CD1 ILE T 76 6.855 -10.277 3.849 1.00 0.00 C ATOM 0 H ILE T 76 5.154 -7.748 3.240 1.00 0.00 H new ATOM 0 HA ILE T 76 7.828 -7.691 4.179 1.00 0.00 H new ATOM 0 HB ILE T 76 6.931 -7.948 1.287 1.00 0.00 H new ATOM 0 HG12 ILE T 76 5.444 -9.377 2.527 1.00 0.00 H new ATOM 0 HG13 ILE T 76 6.642 -10.376 1.729 1.00 0.00 H new ATOM 0 HG21 ILE T 76 8.843 -9.488 1.147 1.00 0.00 H new ATOM 0 HG22 ILE T 76 9.341 -7.866 1.683 1.00 0.00 H new ATOM 0 HG23 ILE T 76 9.204 -9.191 2.864 1.00 0.00 H new ATOM 0 HD11 ILE T 76 6.230 -11.155 4.010 1.00 0.00 H new ATOM 0 HD12 ILE T 76 7.904 -10.574 3.842 1.00 0.00 H new ATOM 0 HD13 ILE T 76 6.687 -9.559 4.652 1.00 0.00 H new ATOM 1163 N ASP T 77 8.256 -5.217 3.756 1.00 0.00 N ATOM 1164 CA ASP T 77 8.770 -3.896 3.409 1.00 0.00 C ATOM 1165 C ASP T 77 10.294 -3.875 3.454 1.00 0.00 C ATOM 1166 O ASP T 77 10.898 -4.135 4.495 1.00 0.00 O ATOM 1167 CB ASP T 77 8.206 -2.840 4.361 1.00 0.00 C ATOM 1168 CG ASP T 77 8.160 -1.459 3.735 1.00 0.00 C ATOM 1169 OD1 ASP T 77 7.903 -1.368 2.516 1.00 0.00 O ATOM 1170 OD2 ASP T 77 8.378 -0.469 4.465 1.00 0.00 O ATOM 0 H ASP T 77 8.354 -5.462 4.741 1.00 0.00 H new ATOM 0 HA ASP T 77 8.452 -3.666 2.392 1.00 0.00 H new ATOM 0 HB2 ASP T 77 7.201 -3.131 4.666 1.00 0.00 H new ATOM 0 HB3 ASP T 77 8.816 -2.806 5.264 1.00 0.00 H new ATOM 1175 N TYR T 78 10.911 -3.564 2.318 1.00 0.00 N ATOM 1176 CA TYR T 78 12.365 -3.509 2.228 1.00 0.00 C ATOM 1177 C TYR T 78 12.877 -2.104 2.530 1.00 0.00 C ATOM 1178 O TYR T 78 14.078 -1.896 2.708 1.00 0.00 O ATOM 1179 CB TYR T 78 12.827 -3.944 0.836 1.00 0.00 C ATOM 1180 CG TYR T 78 12.462 -5.371 0.495 1.00 0.00 C ATOM 1181 CD1 TYR T 78 11.137 -5.741 0.299 1.00 0.00 C ATOM 1182 CD2 TYR T 78 13.442 -6.348 0.371 1.00 0.00 C ATOM 1183 CE1 TYR T 78 10.800 -7.044 -0.010 1.00 0.00 C ATOM 1184 CE2 TYR T 78 13.112 -7.654 0.061 1.00 0.00 C ATOM 1185 CZ TYR T 78 11.790 -7.996 -0.128 1.00 0.00 C ATOM 1186 OH TYR T 78 11.457 -9.295 -0.438 1.00 0.00 O ATOM 0 H TYR T 78 10.426 -3.346 1.447 1.00 0.00 H new ATOM 0 HA TYR T 78 12.776 -4.193 2.971 1.00 0.00 H new ATOM 0 HB2 TYR T 78 12.389 -3.278 0.092 1.00 0.00 H new ATOM 0 HB3 TYR T 78 13.909 -3.829 0.769 1.00 0.00 H new ATOM 0 HD1 TYR T 78 10.359 -4.998 0.390 1.00 0.00 H new ATOM 0 HD2 TYR T 78 14.478 -6.083 0.519 1.00 0.00 H new ATOM 0 HE1 TYR T 78 9.765 -7.316 -0.159 1.00 0.00 H new ATOM 0 HE2 TYR T 78 13.885 -8.402 -0.033 1.00 0.00 H new ATOM 0 HH TYR T 78 12.271 -9.839 -0.485 1.00 0.00 H new ATOM 1196 N GLY T 79 11.961 -1.144 2.585 1.00 0.00 N ATOM 1197 CA GLY T 79 12.340 0.228 2.864 1.00 0.00 C ATOM 1198 C GLY T 79 12.323 1.069 1.602 1.00 0.00 C ATOM 1199 O GLY T 79 12.126 0.547 0.505 1.00 0.00 O ATOM 0 H GLY T 79 10.962 -1.292 2.441 1.00 0.00 H new ATOM 0 HA2 GLY T 79 11.656 0.655 3.598 1.00 0.00 H new ATOM 0 HA3 GLY T 79 13.336 0.250 3.306 1.00 0.00 H new ATOM 1203 N ILE T 80 12.529 2.372 1.758 1.00 0.00 N ATOM 1204 CA ILE T 80 12.537 3.286 0.622 1.00 0.00 C ATOM 1205 C ILE T 80 13.647 2.931 -0.361 1.00 0.00 C ATOM 1206 O ILE T 80 14.821 2.885 0.003 1.00 0.00 O ATOM 1207 CB ILE T 80 12.717 4.748 1.076 1.00 0.00 C ATOM 1208 CG1 ILE T 80 11.695 5.098 2.159 1.00 0.00 C ATOM 1209 CG2 ILE T 80 12.584 5.691 -0.110 1.00 0.00 C ATOM 1210 CD1 ILE T 80 12.114 6.255 3.039 1.00 0.00 C ATOM 0 H ILE T 80 12.693 2.819 2.660 1.00 0.00 H new ATOM 0 HA ILE T 80 11.571 3.184 0.128 1.00 0.00 H new ATOM 0 HB ILE T 80 13.716 4.862 1.496 1.00 0.00 H new ATOM 0 HG12 ILE T 80 10.744 5.340 1.684 1.00 0.00 H new ATOM 0 HG13 ILE T 80 11.526 4.221 2.783 1.00 0.00 H new ATOM 0 HG21 ILE T 80 12.714 6.720 0.227 1.00 0.00 H new ATOM 0 HG22 ILE T 80 13.347 5.453 -0.851 1.00 0.00 H new ATOM 0 HG23 ILE T 80 11.596 5.577 -0.556 1.00 0.00 H new ATOM 0 HD11 ILE T 80 11.340 6.445 3.783 1.00 0.00 H new ATOM 0 HD12 ILE T 80 13.049 6.009 3.543 1.00 0.00 H new ATOM 0 HD13 ILE T 80 12.255 7.145 2.426 1.00 0.00 H new ATOM 1222 N ARG T 81 13.265 2.679 -1.610 1.00 0.00 N ATOM 1223 CA ARG T 81 14.226 2.327 -2.648 1.00 0.00 C ATOM 1224 C ARG T 81 14.707 3.571 -3.389 1.00 0.00 C ATOM 1225 O ARG T 81 15.384 3.473 -4.412 1.00 0.00 O ATOM 1226 CB ARG T 81 13.603 1.339 -3.637 1.00 0.00 C ATOM 1227 CG ARG T 81 13.112 0.056 -2.987 1.00 0.00 C ATOM 1228 CD ARG T 81 11.659 0.170 -2.555 1.00 0.00 C ATOM 1229 NE ARG T 81 11.051 -1.138 -2.332 1.00 0.00 N ATOM 1230 CZ ARG T 81 10.267 -1.746 -3.218 1.00 0.00 C ATOM 1231 NH1 ARG T 81 10.001 -1.167 -4.379 1.00 0.00 N ATOM 1232 NH2 ARG T 81 9.752 -2.936 -2.942 1.00 0.00 N ATOM 0 H ARG T 81 12.296 2.712 -1.927 1.00 0.00 H new ATOM 0 HA ARG T 81 15.084 1.857 -2.168 1.00 0.00 H new ATOM 0 HB2 ARG T 81 12.768 1.823 -4.143 1.00 0.00 H new ATOM 0 HB3 ARG T 81 14.339 1.091 -4.402 1.00 0.00 H new ATOM 0 HG2 ARG T 81 13.220 -0.772 -3.687 1.00 0.00 H new ATOM 0 HG3 ARG T 81 13.733 -0.175 -2.121 1.00 0.00 H new ATOM 0 HD2 ARG T 81 11.598 0.759 -1.640 1.00 0.00 H new ATOM 0 HD3 ARG T 81 11.095 0.707 -3.318 1.00 0.00 H new ATOM 0 HE ARG T 81 11.238 -1.612 -1.448 1.00 0.00 H new ATOM 0 HH11 ARG T 81 10.398 -0.253 -4.596 1.00 0.00 H new ATOM 0 HH12 ARG T 81 9.400 -1.635 -5.057 1.00 0.00 H new ATOM 0 HH21 ARG T 81 9.957 -3.386 -2.050 1.00 0.00 H new ATOM 0 HH22 ARG T 81 9.151 -3.402 -3.622 1.00 0.00 H new ATOM 1246 N LEU T 82 14.350 4.740 -2.864 1.00 0.00 N ATOM 1247 CA LEU T 82 14.743 6.005 -3.474 1.00 0.00 C ATOM 1248 C LEU T 82 14.212 6.110 -4.901 1.00 0.00 C ATOM 1249 O LEU T 82 14.895 6.614 -5.793 1.00 0.00 O ATOM 1250 CB LEU T 82 16.268 6.144 -3.474 1.00 0.00 C ATOM 1251 CG LEU T 82 16.806 7.538 -3.138 1.00 0.00 C ATOM 1252 CD1 LEU T 82 16.049 8.608 -3.911 1.00 0.00 C ATOM 1253 CD2 LEU T 82 16.717 7.799 -1.641 1.00 0.00 C ATOM 0 H LEU T 82 13.789 4.837 -2.017 1.00 0.00 H new ATOM 0 HA LEU T 82 14.311 6.813 -2.884 1.00 0.00 H new ATOM 0 HB2 LEU T 82 16.680 5.433 -2.758 1.00 0.00 H new ATOM 0 HB3 LEU T 82 16.641 5.858 -4.457 1.00 0.00 H new ATOM 0 HG LEU T 82 17.854 7.579 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU T 82 16.447 9.590 -3.657 1.00 0.00 H new ATOM 0 HD12 LEU T 82 16.165 8.435 -4.981 1.00 0.00 H new ATOM 0 HD13 LEU T 82 14.992 8.567 -3.649 1.00 0.00 H new ATOM 0 HD21 LEU T 82 17.104 8.794 -1.422 1.00 0.00 H new ATOM 0 HD22 LEU T 82 15.677 7.735 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU T 82 17.307 7.054 -1.106 1.00 0.00 H new ATOM 1265 N ASN T 83 12.990 5.630 -5.110 1.00 0.00 N ATOM 1266 CA ASN T 83 12.371 5.671 -6.430 1.00 0.00 C ATOM 1267 C ASN T 83 10.867 5.902 -6.322 1.00 0.00 C ATOM 1268 O ASN T 83 10.074 4.981 -6.509 1.00 0.00 O ATOM 1269 CB ASN T 83 12.644 4.369 -7.183 1.00 0.00 C ATOM 1270 CG ASN T 83 13.580 4.570 -8.358 1.00 0.00 C ATOM 1271 OD1 ASN T 83 14.731 4.134 -8.332 1.00 0.00 O ATOM 1272 ND2 ASN T 83 13.090 5.236 -9.397 1.00 0.00 N ATOM 0 H ASN T 83 12.410 5.209 -4.384 1.00 0.00 H new ATOM 0 HA ASN T 83 12.808 6.503 -6.982 1.00 0.00 H new ATOM 0 HB2 ASN T 83 13.076 3.639 -6.498 1.00 0.00 H new ATOM 0 HB3 ASN T 83 11.701 3.953 -7.539 1.00 0.00 H new ATOM 0 HD21 ASN T 83 13.674 5.404 -10.216 1.00 0.00 H new ATOM 0 HD22 ASN T 83 12.130 5.580 -9.376 1.00 0.00 H new ATOM 1279 N ARG T 84 10.482 7.138 -6.022 1.00 0.00 N ATOM 1280 CA ARG T 84 9.075 7.491 -5.893 1.00 0.00 C ATOM 1281 C ARG T 84 8.407 7.577 -7.262 1.00 0.00 C ATOM 1282 O ARG T 84 7.327 8.149 -7.401 1.00 0.00 O ATOM 1283 CB ARG T 84 8.929 8.822 -5.158 1.00 0.00 C ATOM 1284 CG ARG T 84 9.088 8.707 -3.652 1.00 0.00 C ATOM 1285 CD ARG T 84 10.539 8.865 -3.227 1.00 0.00 C ATOM 1286 NE ARG T 84 10.679 8.971 -1.778 1.00 0.00 N ATOM 1287 CZ ARG T 84 10.548 10.111 -1.107 1.00 0.00 C ATOM 1288 NH1 ARG T 84 10.274 11.237 -1.754 1.00 0.00 N ATOM 1289 NH2 ARG T 84 10.690 10.129 0.210 1.00 0.00 N ATOM 0 H ARG T 84 11.127 7.912 -5.864 1.00 0.00 H new ATOM 0 HA ARG T 84 8.581 6.709 -5.317 1.00 0.00 H new ATOM 0 HB2 ARG T 84 9.672 9.522 -5.541 1.00 0.00 H new ATOM 0 HB3 ARG T 84 7.949 9.244 -5.380 1.00 0.00 H new ATOM 0 HG2 ARG T 84 8.480 9.468 -3.163 1.00 0.00 H new ATOM 0 HG3 ARG T 84 8.715 7.738 -3.319 1.00 0.00 H new ATOM 0 HD2 ARG T 84 11.116 8.012 -3.585 1.00 0.00 H new ATOM 0 HD3 ARG T 84 10.959 9.754 -3.697 1.00 0.00 H new ATOM 0 HE ARG T 84 10.889 8.123 -1.251 1.00 0.00 H new ATOM 0 HH11 ARG T 84 10.164 11.229 -2.768 1.00 0.00 H new ATOM 0 HH12 ARG T 84 10.174 12.111 -1.237 1.00 0.00 H new ATOM 0 HH21 ARG T 84 10.900 9.266 0.712 1.00 0.00 H new ATOM 0 HH22 ARG T 84 10.589 11.005 0.722 1.00 0.00 H new ATOM 1303 N SER T 85 9.058 7.004 -8.270 1.00 0.00 N ATOM 1304 CA SER T 85 8.526 7.016 -9.627 1.00 0.00 C ATOM 1305 C SER T 85 8.176 5.604 -10.085 1.00 0.00 C ATOM 1306 O SER T 85 7.823 5.386 -11.244 1.00 0.00 O ATOM 1307 CB SER T 85 9.537 7.641 -10.590 1.00 0.00 C ATOM 1308 OG SER T 85 9.496 9.056 -10.525 1.00 0.00 O ATOM 0 H SER T 85 9.954 6.526 -8.172 1.00 0.00 H new ATOM 0 HA SER T 85 7.616 7.616 -9.628 1.00 0.00 H new ATOM 0 HB2 SER T 85 10.540 7.292 -10.346 1.00 0.00 H new ATOM 0 HB3 SER T 85 9.324 7.314 -11.608 1.00 0.00 H new ATOM 0 HG SER T 85 10.152 9.431 -11.148 1.00 0.00 H new ATOM 1314 N GLU T 86 8.271 4.649 -9.165 1.00 0.00 N ATOM 1315 CA GLU T 86 7.961 3.258 -9.472 1.00 0.00 C ATOM 1316 C GLU T 86 6.491 3.106 -9.850 1.00 0.00 C ATOM 1317 O GLU T 86 5.778 4.095 -10.009 1.00 0.00 O ATOM 1318 CB GLU T 86 8.290 2.369 -8.273 1.00 0.00 C ATOM 1319 CG GLU T 86 9.751 1.956 -8.206 1.00 0.00 C ATOM 1320 CD GLU T 86 9.989 0.562 -8.752 1.00 0.00 C ATOM 1321 OE1 GLU T 86 9.496 0.266 -9.861 1.00 0.00 O ATOM 1322 OE2 GLU T 86 10.667 -0.236 -8.071 1.00 0.00 O ATOM 0 H GLU T 86 8.560 4.814 -8.201 1.00 0.00 H new ATOM 0 HA GLU T 86 8.570 2.948 -10.321 1.00 0.00 H new ATOM 0 HB2 GLU T 86 8.028 2.897 -7.356 1.00 0.00 H new ATOM 0 HB3 GLU T 86 7.669 1.474 -8.314 1.00 0.00 H new ATOM 0 HG2 GLU T 86 10.353 2.670 -8.769 1.00 0.00 H new ATOM 0 HG3 GLU T 86 10.090 1.999 -7.171 1.00 0.00 H new ATOM 1329 N ARG T 87 6.040 1.864 -9.993 1.00 0.00 N ATOM 1330 CA ARG T 87 4.651 1.602 -10.351 1.00 0.00 C ATOM 1331 C ARG T 87 4.060 0.481 -9.505 1.00 0.00 C ATOM 1332 O ARG T 87 4.463 -0.676 -9.614 1.00 0.00 O ATOM 1333 CB ARG T 87 4.535 1.244 -11.830 1.00 0.00 C ATOM 1334 CG ARG T 87 5.609 0.287 -12.318 1.00 0.00 C ATOM 1335 CD ARG T 87 5.027 -1.067 -12.690 1.00 0.00 C ATOM 1336 NE ARG T 87 5.771 -1.698 -13.777 1.00 0.00 N ATOM 1337 CZ ARG T 87 5.907 -3.013 -13.912 1.00 0.00 C ATOM 1338 NH1 ARG T 87 5.350 -3.832 -13.030 1.00 0.00 N ATOM 1339 NH2 ARG T 87 6.597 -3.509 -14.929 1.00 0.00 N ATOM 0 H ARG T 87 6.612 1.029 -9.867 1.00 0.00 H new ATOM 0 HA ARG T 87 4.087 2.514 -10.157 1.00 0.00 H new ATOM 0 HB2 ARG T 87 3.556 0.799 -12.010 1.00 0.00 H new ATOM 0 HB3 ARG T 87 4.582 2.159 -12.420 1.00 0.00 H new ATOM 0 HG2 ARG T 87 6.114 0.717 -13.183 1.00 0.00 H new ATOM 0 HG3 ARG T 87 6.363 0.158 -11.541 1.00 0.00 H new ATOM 0 HD2 ARG T 87 5.037 -1.719 -11.817 1.00 0.00 H new ATOM 0 HD3 ARG T 87 3.985 -0.946 -12.986 1.00 0.00 H new ATOM 0 HE ARG T 87 6.211 -1.095 -14.472 1.00 0.00 H new ATOM 0 HH11 ARG T 87 4.817 -3.453 -12.248 1.00 0.00 H new ATOM 0 HH12 ARG T 87 5.455 -4.841 -13.134 1.00 0.00 H new ATOM 0 HH21 ARG T 87 7.025 -2.881 -15.610 1.00 0.00 H new ATOM 0 HH22 ARG T 87 6.700 -4.519 -15.031 1.00 0.00 H new ATOM 1353 N TRP T 88 3.089 0.839 -8.673 1.00 0.00 N ATOM 1354 CA TRP T 88 2.415 -0.120 -7.806 1.00 0.00 C ATOM 1355 C TRP T 88 1.005 0.362 -7.479 1.00 0.00 C ATOM 1356 O TRP T 88 0.362 1.028 -8.292 1.00 0.00 O ATOM 1357 CB TRP T 88 3.193 -0.325 -6.500 1.00 0.00 C ATOM 1358 CG TRP T 88 4.681 -0.300 -6.661 1.00 0.00 C ATOM 1359 CD1 TRP T 88 5.516 0.738 -6.363 1.00 0.00 C ATOM 1360 CD2 TRP T 88 5.512 -1.360 -7.148 1.00 0.00 C ATOM 1361 NE1 TRP T 88 6.817 0.390 -6.639 1.00 0.00 N ATOM 1362 CE2 TRP T 88 6.839 -0.892 -7.122 1.00 0.00 C ATOM 1363 CE3 TRP T 88 5.263 -2.657 -7.604 1.00 0.00 C ATOM 1364 CZ2 TRP T 88 7.914 -1.678 -7.534 1.00 0.00 C ATOM 1365 CZ3 TRP T 88 6.330 -3.436 -8.013 1.00 0.00 C ATOM 1366 CH2 TRP T 88 7.640 -2.944 -7.975 1.00 0.00 C ATOM 0 H TRP T 88 2.748 1.796 -8.580 1.00 0.00 H new ATOM 0 HA TRP T 88 2.364 -1.070 -8.339 1.00 0.00 H new ATOM 0 HB2 TRP T 88 2.902 0.451 -5.792 1.00 0.00 H new ATOM 0 HB3 TRP T 88 2.902 -1.280 -6.063 1.00 0.00 H new ATOM 0 HD1 TRP T 88 5.201 1.693 -5.968 1.00 0.00 H new ATOM 0 HE1 TRP T 88 7.632 0.988 -6.506 1.00 0.00 H new ATOM 0 HE3 TRP T 88 4.255 -3.044 -7.636 1.00 0.00 H new ATOM 0 HZ2 TRP T 88 8.926 -1.302 -7.506 1.00 0.00 H new ATOM 0 HZ3 TRP T 88 6.150 -4.440 -8.367 1.00 0.00 H new ATOM 0 HH2 TRP T 88 8.452 -3.577 -8.301 1.00 0.00 H new ATOM 1377 N ASP T 89 0.541 0.031 -6.276 1.00 0.00 N ATOM 1378 CA ASP T 89 -0.784 0.438 -5.824 1.00 0.00 C ATOM 1379 C ASP T 89 -0.672 1.542 -4.780 1.00 0.00 C ATOM 1380 O ASP T 89 0.412 2.080 -4.550 1.00 0.00 O ATOM 1381 CB ASP T 89 -1.541 -0.756 -5.240 1.00 0.00 C ATOM 1382 CG ASP T 89 -1.265 -2.036 -5.999 1.00 0.00 C ATOM 1383 OD1 ASP T 89 -0.090 -2.457 -6.048 1.00 0.00 O ATOM 1384 OD2 ASP T 89 -2.225 -2.621 -6.546 1.00 0.00 O ATOM 0 H ASP T 89 1.066 -0.519 -5.596 1.00 0.00 H new ATOM 0 HA ASP T 89 -1.337 0.818 -6.683 1.00 0.00 H new ATOM 0 HB2 ASP T 89 -1.259 -0.887 -4.195 1.00 0.00 H new ATOM 0 HB3 ASP T 89 -2.611 -0.549 -5.257 1.00 0.00 H new ATOM 1389 N ALA T 90 -1.791 1.881 -4.153 1.00 0.00 N ATOM 1390 CA ALA T 90 -1.803 2.927 -3.138 1.00 0.00 C ATOM 1391 C ALA T 90 -2.726 2.574 -1.978 1.00 0.00 C ATOM 1392 O ALA T 90 -3.925 2.365 -2.169 1.00 0.00 O ATOM 1393 CB ALA T 90 -2.222 4.250 -3.757 1.00 0.00 C ATOM 0 H ALA T 90 -2.698 1.449 -4.328 1.00 0.00 H new ATOM 0 HA ALA T 90 -0.792 3.018 -2.741 1.00 0.00 H new ATOM 0 HB1 ALA T 90 -2.228 5.025 -2.990 1.00 0.00 H new ATOM 0 HB2 ALA T 90 -1.518 4.523 -4.543 1.00 0.00 H new ATOM 0 HB3 ALA T 90 -3.221 4.153 -4.182 1.00 0.00 H new ATOM 1399 N TYR T 91 -2.165 2.522 -0.774 1.00 0.00 N ATOM 1400 CA TYR T 91 -2.944 2.207 0.416 1.00 0.00 C ATOM 1401 C TYR T 91 -3.489 3.482 1.044 1.00 0.00 C ATOM 1402 O TYR T 91 -2.737 4.289 1.586 1.00 0.00 O ATOM 1403 CB TYR T 91 -2.085 1.453 1.432 1.00 0.00 C ATOM 1404 CG TYR T 91 -2.021 -0.037 1.190 1.00 0.00 C ATOM 1405 CD1 TYR T 91 -3.117 -0.853 1.444 1.00 0.00 C ATOM 1406 CD2 TYR T 91 -0.864 -0.627 0.703 1.00 0.00 C ATOM 1407 CE1 TYR T 91 -3.060 -2.215 1.217 1.00 0.00 C ATOM 1408 CE2 TYR T 91 -0.797 -1.987 0.474 1.00 0.00 C ATOM 1409 CZ TYR T 91 -1.897 -2.777 0.732 1.00 0.00 C ATOM 1410 OH TYR T 91 -1.833 -4.132 0.505 1.00 0.00 O ATOM 0 H TYR T 91 -1.175 2.694 -0.598 1.00 0.00 H new ATOM 0 HA TYR T 91 -3.780 1.572 0.122 1.00 0.00 H new ATOM 0 HB2 TYR T 91 -1.074 1.859 1.411 1.00 0.00 H new ATOM 0 HB3 TYR T 91 -2.480 1.633 2.432 1.00 0.00 H new ATOM 0 HD1 TYR T 91 -4.028 -0.416 1.825 1.00 0.00 H new ATOM 0 HD2 TYR T 91 -0.000 -0.012 0.499 1.00 0.00 H new ATOM 0 HE1 TYR T 91 -3.921 -2.836 1.418 1.00 0.00 H new ATOM 0 HE2 TYR T 91 0.112 -2.430 0.095 1.00 0.00 H new ATOM 0 HH TYR T 91 -0.945 -4.365 0.163 1.00 0.00 H new ATOM 1420 N CYS T 92 -4.801 3.663 0.958 1.00 0.00 N ATOM 1421 CA CYS T 92 -5.444 4.843 1.509 1.00 0.00 C ATOM 1422 C CYS T 92 -5.784 4.648 2.982 1.00 0.00 C ATOM 1423 O CYS T 92 -5.713 3.537 3.506 1.00 0.00 O ATOM 1424 CB CYS T 92 -6.706 5.156 0.713 1.00 0.00 C ATOM 1425 SG CYS T 92 -6.404 5.471 -1.055 1.00 0.00 S ATOM 0 H CYS T 92 -5.439 3.005 0.511 1.00 0.00 H new ATOM 0 HA CYS T 92 -4.751 5.681 1.435 1.00 0.00 H new ATOM 0 HB2 CYS T 92 -7.401 4.322 0.810 1.00 0.00 H new ATOM 0 HB3 CYS T 92 -7.192 6.028 1.150 1.00 0.00 H new ATOM 1430 N TYR T 93 -6.145 5.741 3.646 1.00 0.00 N ATOM 1431 CA TYR T 93 -6.487 5.698 5.060 1.00 0.00 C ATOM 1432 C TYR T 93 -7.346 6.898 5.446 1.00 0.00 C ATOM 1433 O TYR T 93 -6.956 8.046 5.234 1.00 0.00 O ATOM 1434 CB TYR T 93 -5.209 5.676 5.898 1.00 0.00 C ATOM 1435 CG TYR T 93 -5.457 5.682 7.392 1.00 0.00 C ATOM 1436 CD1 TYR T 93 -6.055 6.769 8.017 1.00 0.00 C ATOM 1437 CD2 TYR T 93 -5.088 4.597 8.175 1.00 0.00 C ATOM 1438 CE1 TYR T 93 -6.279 6.774 9.380 1.00 0.00 C ATOM 1439 CE2 TYR T 93 -5.308 4.593 9.539 1.00 0.00 C ATOM 1440 CZ TYR T 93 -5.903 5.684 10.137 1.00 0.00 C ATOM 1441 OH TYR T 93 -6.124 5.685 11.496 1.00 0.00 O ATOM 0 H TYR T 93 -6.208 6.668 3.225 1.00 0.00 H new ATOM 0 HA TYR T 93 -7.061 4.792 5.252 1.00 0.00 H new ATOM 0 HB2 TYR T 93 -4.631 4.789 5.639 1.00 0.00 H new ATOM 0 HB3 TYR T 93 -4.600 6.541 5.637 1.00 0.00 H new ATOM 0 HD1 TYR T 93 -6.350 7.624 7.427 1.00 0.00 H new ATOM 0 HD2 TYR T 93 -4.621 3.741 7.710 1.00 0.00 H new ATOM 0 HE1 TYR T 93 -6.746 7.627 9.850 1.00 0.00 H new ATOM 0 HE2 TYR T 93 -5.016 3.740 10.134 1.00 0.00 H new ATOM 0 HH TYR T 93 -5.802 4.843 11.880 1.00 0.00 H new ATOM 1451 N ASN T 94 -8.513 6.624 6.016 1.00 0.00 N ATOM 1452 CA ASN T 94 -9.426 7.680 6.437 1.00 0.00 C ATOM 1453 C ASN T 94 -10.064 7.333 7.778 1.00 0.00 C ATOM 1454 O ASN T 94 -10.362 6.171 8.050 1.00 0.00 O ATOM 1455 CB ASN T 94 -10.511 7.900 5.380 1.00 0.00 C ATOM 1456 CG ASN T 94 -9.957 8.437 4.075 1.00 0.00 C ATOM 1457 OD1 ASN T 94 -9.077 7.830 3.463 1.00 0.00 O ATOM 1458 ND2 ASN T 94 -10.471 9.582 3.640 1.00 0.00 N ATOM 0 H ASN T 94 -8.850 5.679 6.198 1.00 0.00 H new ATOM 0 HA ASN T 94 -8.855 8.601 6.551 1.00 0.00 H new ATOM 0 HB2 ASN T 94 -11.025 6.957 5.191 1.00 0.00 H new ATOM 0 HB3 ASN T 94 -11.255 8.596 5.768 1.00 0.00 H new ATOM 0 HD21 ASN T 94 -10.138 9.992 2.767 1.00 0.00 H new ATOM 0 HD22 ASN T 94 -11.199 10.052 4.179 1.00 0.00 H new ATOM 1465 N PRO T 95 -10.282 8.342 8.637 1.00 0.00 N ATOM 1466 CA PRO T 95 -10.887 8.137 9.956 1.00 0.00 C ATOM 1467 C PRO T 95 -12.158 7.302 9.878 1.00 0.00 C ATOM 1468 O PRO T 95 -12.464 6.531 10.787 1.00 0.00 O ATOM 1469 CB PRO T 95 -11.204 9.557 10.424 1.00 0.00 C ATOM 1470 CG PRO T 95 -10.213 10.416 9.717 1.00 0.00 C ATOM 1471 CD PRO T 95 -9.955 9.757 8.388 1.00 0.00 C ATOM 0 HA PRO T 95 -10.228 7.592 10.632 1.00 0.00 H new ATOM 0 HB2 PRO T 95 -12.226 9.839 10.170 1.00 0.00 H new ATOM 0 HB3 PRO T 95 -11.108 9.649 11.506 1.00 0.00 H new ATOM 0 HG2 PRO T 95 -10.600 11.426 9.582 1.00 0.00 H new ATOM 0 HG3 PRO T 95 -9.292 10.502 10.294 1.00 0.00 H new ATOM 0 HD2 PRO T 95 -10.580 10.181 7.602 1.00 0.00 H new ATOM 0 HD3 PRO T 95 -8.919 9.880 8.073 1.00 0.00 H new ATOM 1479 N HIS T 96 -12.892 7.459 8.783 1.00 0.00 N ATOM 1480 CA HIS T 96 -14.130 6.719 8.576 1.00 0.00 C ATOM 1481 C HIS T 96 -14.090 5.964 7.251 1.00 0.00 C ATOM 1482 O HIS T 96 -14.692 4.900 7.114 1.00 0.00 O ATOM 1483 CB HIS T 96 -15.327 7.670 8.601 1.00 0.00 C ATOM 1484 CG HIS T 96 -16.644 6.971 8.474 1.00 0.00 C ATOM 1485 ND1 HIS T 96 -17.352 6.495 9.558 1.00 0.00 N ATOM 1486 CD2 HIS T 96 -17.384 6.666 7.381 1.00 0.00 C ATOM 1487 CE1 HIS T 96 -18.469 5.928 9.139 1.00 0.00 C ATOM 1488 NE2 HIS T 96 -18.512 6.019 7.822 1.00 0.00 N ATOM 0 H HIS T 96 -12.650 8.094 8.023 1.00 0.00 H new ATOM 0 HA HIS T 96 -14.236 5.996 9.385 1.00 0.00 H new ATOM 0 HB2 HIS T 96 -15.313 8.236 9.533 1.00 0.00 H new ATOM 0 HB3 HIS T 96 -15.226 8.390 7.789 1.00 0.00 H new ATOM 0 HD2 HIS T 96 -17.134 6.890 6.355 1.00 0.00 H new ATOM 0 HE1 HIS T 96 -19.219 5.469 9.766 1.00 0.00 H new ATOM 0 HE2 HIS T 96 -19.262 5.666 7.228 1.00 0.00 H new ATOM 1497 N ALA T 97 -13.370 6.524 6.281 1.00 0.00 N ATOM 1498 CA ALA T 97 -13.243 5.911 4.963 1.00 0.00 C ATOM 1499 C ALA T 97 -14.552 5.262 4.526 1.00 0.00 C ATOM 1500 O ALA T 97 -14.693 4.039 4.557 1.00 0.00 O ATOM 1501 CB ALA T 97 -12.117 4.888 4.968 1.00 0.00 C ATOM 0 H ALA T 97 -12.865 7.404 6.385 1.00 0.00 H new ATOM 0 HA ALA T 97 -13.005 6.696 4.245 1.00 0.00 H new ATOM 0 HB1 ALA T 97 -12.031 4.437 3.980 1.00 0.00 H new ATOM 0 HB2 ALA T 97 -11.179 5.380 5.225 1.00 0.00 H new ATOM 0 HB3 ALA T 97 -12.333 4.113 5.703 1.00 0.00 H new ATOM 1507 N LYS T 98 -15.507 6.092 4.117 1.00 0.00 N ATOM 1508 CA LYS T 98 -16.806 5.602 3.671 1.00 0.00 C ATOM 1509 C LYS T 98 -16.682 4.855 2.347 1.00 0.00 C ATOM 1510 O LYS T 98 -15.799 5.220 1.543 1.00 0.00 O ATOM 1511 CB LYS T 98 -17.788 6.766 3.524 1.00 0.00 C ATOM 1512 CG LYS T 98 -19.235 6.373 3.776 1.00 0.00 C ATOM 1513 CD LYS T 98 -20.006 6.222 2.475 1.00 0.00 C ATOM 1514 CE LYS T 98 -20.399 7.573 1.901 1.00 0.00 C ATOM 1515 NZ LYS T 98 -19.734 7.836 0.595 1.00 0.00 N ATOM 1516 OXT LYS T 98 -17.470 3.912 2.125 1.00 0.00 O ATOM 0 H LYS T 98 -15.405 7.106 4.085 1.00 0.00 H new ATOM 0 HA LYS T 98 -17.183 4.909 4.423 1.00 0.00 H new ATOM 0 HB2 LYS T 98 -17.508 7.557 4.219 1.00 0.00 H new ATOM 0 HB3 LYS T 98 -17.702 7.179 2.519 1.00 0.00 H new ATOM 0 HG2 LYS T 98 -19.267 5.435 4.330 1.00 0.00 H new ATOM 0 HG3 LYS T 98 -19.715 7.128 4.399 1.00 0.00 H new ATOM 0 HD2 LYS T 98 -19.397 5.681 1.751 1.00 0.00 H new ATOM 0 HD3 LYS T 98 -20.901 5.625 2.648 1.00 0.00 H new ATOM 0 HE2 LYS T 98 -21.481 7.612 1.772 1.00 0.00 H new ATOM 0 HE3 LYS T 98 -20.134 8.359 2.608 1.00 0.00 H new ATOM 0 HZ1 LYS T 98 -20.080 8.736 0.204 1.00 0.00 H new ATOM 0 HZ2 LYS T 98 -18.705 7.892 0.734 1.00 0.00 H new ATOM 0 HZ3 LYS T 98 -19.952 7.065 -0.067 1.00 0.00 H new TER 1530 LYS T 98