USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 759 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 42 LYS NZ :NH3+ 128:sc= -1.28! (180deg=-2.42!) USER MOD Set 1.2: A 79 TYR OH : rot 136:sc= 0.475 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -108:sc= -1.5 (180deg=-4.77!) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.503 USER MOD Single : A 12 LYS NZ :NH3+ -107:sc= 0.0174 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -1.57 K(o=-1.6,f=-0.2) USER MOD Single : A 17 THR OG1 : rot -170:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot -112:sc= -0.389 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -1.46! C(o=-1.5!,f=-2.8!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -3.94! C(o=-3.9!,f=-13!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -144:sc= 1.28 USER MOD Single : A 55 TYR OH : rot 177:sc= -0.599 USER MOD Single : A 62 LYS NZ :NH3+ -115:sc= -0.866 (180deg=-2.14!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -3.57 X(o=-3.6,f=-3.6) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -138:sc= -0.163 (180deg=-1.21) USER MOD Single : A 80 SER OG : rot 170:sc= -1.32 USER MOD Single : A 82 MET CE :methyl 142:sc= -0.418 (180deg=-1.54!) USER MOD Single : A 83 THR OG1 : rot 118:sc= -0.123 USER MOD Single : A 84 THR OG1 : rot 141:sc= -2.89! USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 88 SER OG : rot 40:sc= 0.675 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -36.577 -8.212 -3.387 1.00 0.00 N ATOM 2 CA GLY A 1 -35.405 -8.996 -3.731 1.00 0.00 C ATOM 3 C GLY A 1 -34.767 -8.544 -5.030 1.00 0.00 C ATOM 4 O GLY A 1 -35.460 -8.290 -6.015 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.977 -8.559 -2.492 1.00 0.00 H new ATOM 0 H2 GLY A 1 -36.308 -7.213 -3.281 1.00 0.00 H new ATOM 0 H3 GLY A 1 -37.288 -8.301 -4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -34.674 -8.923 -2.926 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -35.685 -10.046 -3.813 1.00 0.00 H new ATOM 8 N SER A 2 -33.441 -8.442 -5.032 1.00 0.00 N ATOM 9 CA SER A 2 -32.709 -8.013 -6.217 1.00 0.00 C ATOM 10 C SER A 2 -31.242 -8.419 -6.127 1.00 0.00 C ATOM 11 O SER A 2 -30.763 -8.827 -5.068 1.00 0.00 O ATOM 12 CB SER A 2 -32.821 -6.497 -6.390 1.00 0.00 C ATOM 13 OG SER A 2 -32.634 -6.122 -7.744 1.00 0.00 O ATOM 0 H SER A 2 -32.852 -8.651 -4.226 1.00 0.00 H new ATOM 0 HA SER A 2 -33.151 -8.504 -7.084 1.00 0.00 H new ATOM 0 HB2 SER A 2 -33.800 -6.160 -6.048 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.077 -6.001 -5.766 1.00 0.00 H new ATOM 0 HG SER A 2 -32.712 -5.149 -7.828 1.00 0.00 H new ATOM 19 N SER A 3 -30.532 -8.304 -7.245 1.00 0.00 N ATOM 20 CA SER A 3 -29.120 -8.662 -7.294 1.00 0.00 C ATOM 21 C SER A 3 -28.244 -7.475 -6.904 1.00 0.00 C ATOM 22 O SER A 3 -27.419 -7.013 -7.692 1.00 0.00 O ATOM 23 CB SER A 3 -28.744 -9.150 -8.695 1.00 0.00 C ATOM 24 OG SER A 3 -29.307 -10.423 -8.959 1.00 0.00 O ATOM 0 H SER A 3 -30.912 -7.966 -8.129 1.00 0.00 H new ATOM 0 HA SER A 3 -28.950 -9.467 -6.579 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.092 -8.433 -9.439 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.659 -9.203 -8.786 1.00 0.00 H new ATOM 0 HG SER A 3 -29.054 -10.712 -9.861 1.00 0.00 H new ATOM 30 N GLY A 4 -28.430 -6.986 -5.682 1.00 0.00 N ATOM 31 CA GLY A 4 -27.651 -5.857 -5.208 1.00 0.00 C ATOM 32 C GLY A 4 -26.161 -6.132 -5.229 1.00 0.00 C ATOM 33 O GLY A 4 -25.684 -7.058 -4.572 1.00 0.00 O ATOM 0 H GLY A 4 -29.106 -7.352 -5.012 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.865 -4.986 -5.827 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.957 -5.609 -4.192 1.00 0.00 H new ATOM 37 N SER A 5 -25.423 -5.327 -5.986 1.00 0.00 N ATOM 38 CA SER A 5 -23.978 -5.491 -6.094 1.00 0.00 C ATOM 39 C SER A 5 -23.267 -4.847 -4.908 1.00 0.00 C ATOM 40 O SER A 5 -22.878 -3.680 -4.962 1.00 0.00 O ATOM 41 CB SER A 5 -23.470 -4.879 -7.401 1.00 0.00 C ATOM 42 OG SER A 5 -24.099 -5.476 -8.522 1.00 0.00 O ATOM 0 H SER A 5 -25.802 -4.554 -6.534 1.00 0.00 H new ATOM 0 HA SER A 5 -23.758 -6.559 -6.091 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.661 -3.806 -7.402 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.390 -5.011 -7.473 1.00 0.00 H new ATOM 0 HG SER A 5 -23.759 -5.066 -9.345 1.00 0.00 H new ATOM 48 N SER A 6 -23.102 -5.616 -3.836 1.00 0.00 N ATOM 49 CA SER A 6 -22.442 -5.120 -2.634 1.00 0.00 C ATOM 50 C SER A 6 -20.945 -4.943 -2.870 1.00 0.00 C ATOM 51 O SER A 6 -20.330 -5.699 -3.621 1.00 0.00 O ATOM 52 CB SER A 6 -22.676 -6.080 -1.466 1.00 0.00 C ATOM 53 OG SER A 6 -23.999 -5.968 -0.971 1.00 0.00 O ATOM 0 H SER A 6 -23.416 -6.585 -3.776 1.00 0.00 H new ATOM 0 HA SER A 6 -22.870 -4.148 -2.388 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.491 -7.104 -1.790 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.966 -5.866 -0.667 1.00 0.00 H new ATOM 0 HG SER A 6 -24.124 -6.593 -0.226 1.00 0.00 H new ATOM 59 N GLY A 7 -20.365 -3.937 -2.221 1.00 0.00 N ATOM 60 CA GLY A 7 -18.945 -3.678 -2.373 1.00 0.00 C ATOM 61 C GLY A 7 -18.381 -2.854 -1.232 1.00 0.00 C ATOM 62 O GLY A 7 -19.122 -2.403 -0.358 1.00 0.00 O ATOM 0 H GLY A 7 -20.853 -3.298 -1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.410 -4.626 -2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.773 -3.156 -3.314 1.00 0.00 H new ATOM 66 N ILE A 8 -17.067 -2.660 -1.238 1.00 0.00 N ATOM 67 CA ILE A 8 -16.405 -1.886 -0.195 1.00 0.00 C ATOM 68 C ILE A 8 -15.783 -0.615 -0.765 1.00 0.00 C ATOM 69 O ILE A 8 -15.069 -0.656 -1.766 1.00 0.00 O ATOM 70 CB ILE A 8 -15.310 -2.709 0.507 1.00 0.00 C ATOM 71 CG1 ILE A 8 -15.927 -3.907 1.232 1.00 0.00 C ATOM 72 CG2 ILE A 8 -14.534 -1.836 1.483 1.00 0.00 C ATOM 73 CD1 ILE A 8 -14.908 -4.923 1.697 1.00 0.00 C ATOM 0 H ILE A 8 -16.440 -3.028 -1.953 1.00 0.00 H new ATOM 0 HA ILE A 8 -17.170 -1.618 0.534 1.00 0.00 H new ATOM 0 HB ILE A 8 -14.617 -3.082 -0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -16.490 -3.549 2.094 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -16.639 -4.396 0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.763 -2.433 1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -14.067 -1.012 0.943 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -15.215 -1.437 2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.417 -5.744 2.202 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.361 -5.310 0.837 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.210 -4.449 2.387 1.00 0.00 H new ATOM 85 N MET A 9 -16.059 0.513 -0.118 1.00 0.00 N ATOM 86 CA MET A 9 -15.524 1.796 -0.559 1.00 0.00 C ATOM 87 C MET A 9 -14.470 2.310 0.418 1.00 0.00 C ATOM 88 O MET A 9 -14.663 2.268 1.633 1.00 0.00 O ATOM 89 CB MET A 9 -16.650 2.822 -0.698 1.00 0.00 C ATOM 90 CG MET A 9 -17.958 2.225 -1.192 1.00 0.00 C ATOM 91 SD MET A 9 -17.866 1.669 -2.904 1.00 0.00 S ATOM 92 CE MET A 9 -18.428 -0.024 -2.742 1.00 0.00 C ATOM 0 H MET A 9 -16.649 0.565 0.712 1.00 0.00 H new ATOM 0 HA MET A 9 -15.053 1.650 -1.531 1.00 0.00 H new ATOM 0 HB2 MET A 9 -16.819 3.297 0.268 1.00 0.00 H new ATOM 0 HB3 MET A 9 -16.334 3.605 -1.387 1.00 0.00 H new ATOM 0 HG2 MET A 9 -18.232 1.384 -0.555 1.00 0.00 H new ATOM 0 HG3 MET A 9 -18.750 2.968 -1.098 1.00 0.00 H new ATOM 0 HE1 MET A 9 -17.585 -0.702 -2.877 1.00 0.00 H new ATOM 0 HE2 MET A 9 -18.857 -0.172 -1.751 1.00 0.00 H new ATOM 0 HE3 MET A 9 -19.185 -0.230 -3.499 1.00 0.00 H new ATOM 102 N VAL A 10 -13.356 2.794 -0.122 1.00 0.00 N ATOM 103 CA VAL A 10 -12.272 3.316 0.702 1.00 0.00 C ATOM 104 C VAL A 10 -12.597 4.715 1.214 1.00 0.00 C ATOM 105 O VAL A 10 -12.467 5.701 0.487 1.00 0.00 O ATOM 106 CB VAL A 10 -10.946 3.362 -0.079 1.00 0.00 C ATOM 107 CG1 VAL A 10 -11.182 3.833 -1.506 1.00 0.00 C ATOM 108 CG2 VAL A 10 -9.942 4.261 0.628 1.00 0.00 C ATOM 0 H VAL A 10 -13.180 2.836 -1.126 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.163 2.638 1.549 1.00 0.00 H new ATOM 0 HB VAL A 10 -10.533 2.354 -0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.233 3.859 -2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.864 3.146 -2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -11.618 4.832 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.011 4.282 0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.346 5.271 0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.750 3.875 1.629 1.00 0.00 H new ATOM 118 N THR A 11 -13.020 4.796 2.472 1.00 0.00 N ATOM 119 CA THR A 11 -13.364 6.074 3.082 1.00 0.00 C ATOM 120 C THR A 11 -12.139 6.973 3.202 1.00 0.00 C ATOM 121 O THR A 11 -12.157 8.126 2.771 1.00 0.00 O ATOM 122 CB THR A 11 -13.983 5.880 4.479 1.00 0.00 C ATOM 123 OG1 THR A 11 -12.956 5.606 5.437 1.00 0.00 O ATOM 124 CG2 THR A 11 -14.993 4.743 4.470 1.00 0.00 C ATOM 0 H THR A 11 -13.132 3.991 3.088 1.00 0.00 H new ATOM 0 HA THR A 11 -14.097 6.549 2.430 1.00 0.00 H new ATOM 0 HB THR A 11 -14.498 6.800 4.754 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.358 5.486 6.322 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.417 4.625 5.467 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.790 4.970 3.762 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.497 3.818 4.175 1.00 0.00 H new ATOM 132 N LYS A 12 -11.074 6.439 3.790 1.00 0.00 N ATOM 133 CA LYS A 12 -9.838 7.192 3.966 1.00 0.00 C ATOM 134 C LYS A 12 -8.862 6.909 2.828 1.00 0.00 C ATOM 135 O LYS A 12 -8.154 5.902 2.842 1.00 0.00 O ATOM 136 CB LYS A 12 -9.189 6.842 5.307 1.00 0.00 C ATOM 137 CG LYS A 12 -8.115 7.826 5.738 1.00 0.00 C ATOM 138 CD LYS A 12 -7.689 7.591 7.178 1.00 0.00 C ATOM 139 CE LYS A 12 -6.538 6.600 7.264 1.00 0.00 C ATOM 140 NZ LYS A 12 -5.226 7.250 6.996 1.00 0.00 N ATOM 0 H LYS A 12 -11.042 5.486 4.153 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.084 8.254 3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.961 6.801 6.075 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.752 5.846 5.241 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.250 7.732 5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.488 8.844 5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.390 8.537 7.629 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.536 7.217 7.753 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.523 6.146 8.255 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.698 5.795 6.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.881 6.962 6.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.339 8.284 7.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.540 6.959 7.721 1.00 0.00 H new ATOM 154 N GLN A 13 -8.829 7.804 1.846 1.00 0.00 N ATOM 155 CA GLN A 13 -7.939 7.649 0.701 1.00 0.00 C ATOM 156 C GLN A 13 -6.479 7.684 1.139 1.00 0.00 C ATOM 157 O GLN A 13 -6.150 8.213 2.202 1.00 0.00 O ATOM 158 CB GLN A 13 -8.202 8.750 -0.328 1.00 0.00 C ATOM 159 CG GLN A 13 -9.546 8.622 -1.026 1.00 0.00 C ATOM 160 CD GLN A 13 -9.478 7.757 -2.269 1.00 0.00 C ATOM 161 OE1 GLN A 13 -8.943 8.170 -3.299 1.00 0.00 O ATOM 162 NE2 GLN A 13 -10.020 6.548 -2.180 1.00 0.00 N ATOM 0 H GLN A 13 -9.408 8.644 1.820 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.139 6.680 0.245 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.151 9.719 0.168 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.410 8.733 -1.077 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.272 8.198 -0.332 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.906 9.614 -1.298 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.453 6.246 -1.307 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.003 5.921 -2.984 1.00 0.00 H new ATOM 171 N LEU A 14 -5.605 7.117 0.314 1.00 0.00 N ATOM 172 CA LEU A 14 -4.178 7.083 0.616 1.00 0.00 C ATOM 173 C LEU A 14 -3.560 8.471 0.483 1.00 0.00 C ATOM 174 O LEU A 14 -3.840 9.196 -0.471 1.00 0.00 O ATOM 175 CB LEU A 14 -3.463 6.102 -0.315 1.00 0.00 C ATOM 176 CG LEU A 14 -3.871 4.634 -0.185 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.438 3.849 -1.413 1.00 0.00 C ATOM 178 CD2 LEU A 14 -3.277 4.026 1.077 1.00 0.00 C ATOM 0 H LEU A 14 -5.860 6.675 -0.569 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.058 6.749 1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.637 6.417 -1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.391 6.178 -0.135 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.957 4.583 -0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.737 2.807 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.912 4.270 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.355 3.907 -1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.577 2.981 1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.190 4.089 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.638 4.572 1.949 1.00 0.00 H new ATOM 190 N GLU A 15 -2.717 8.833 1.445 1.00 0.00 N ATOM 191 CA GLU A 15 -2.059 10.134 1.434 1.00 0.00 C ATOM 192 C GLU A 15 -0.603 10.002 0.997 1.00 0.00 C ATOM 193 O GLU A 15 0.040 8.981 1.241 1.00 0.00 O ATOM 194 CB GLU A 15 -2.131 10.779 2.819 1.00 0.00 C ATOM 195 CG GLU A 15 -1.539 9.919 3.923 1.00 0.00 C ATOM 196 CD GLU A 15 -1.257 10.706 5.188 1.00 0.00 C ATOM 197 OE1 GLU A 15 -2.165 11.428 5.652 1.00 0.00 O ATOM 198 OE2 GLU A 15 -0.130 10.601 5.714 1.00 0.00 O ATOM 0 H GLU A 15 -2.474 8.244 2.241 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.580 10.770 0.718 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.606 11.734 2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.173 10.994 3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.226 9.105 4.152 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.614 9.465 3.568 1.00 0.00 H new ATOM 205 N ASP A 16 -0.089 11.043 0.350 1.00 0.00 N ATOM 206 CA ASP A 16 1.291 11.045 -0.120 1.00 0.00 C ATOM 207 C ASP A 16 2.265 10.940 1.050 1.00 0.00 C ATOM 208 O ASP A 16 2.153 11.674 2.033 1.00 0.00 O ATOM 209 CB ASP A 16 1.576 12.314 -0.925 1.00 0.00 C ATOM 210 CG ASP A 16 3.040 12.709 -0.885 1.00 0.00 C ATOM 211 OD1 ASP A 16 3.426 13.464 0.031 1.00 0.00 O ATOM 212 OD2 ASP A 16 3.799 12.261 -1.769 1.00 0.00 O ATOM 0 H ASP A 16 -0.608 11.896 0.139 1.00 0.00 H new ATOM 0 HA ASP A 16 1.431 10.176 -0.764 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.273 12.160 -1.960 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.971 13.132 -0.534 1.00 0.00 H new ATOM 217 N THR A 17 3.220 10.022 0.938 1.00 0.00 N ATOM 218 CA THR A 17 4.211 9.820 1.987 1.00 0.00 C ATOM 219 C THR A 17 5.622 10.071 1.466 1.00 0.00 C ATOM 220 O THR A 17 5.900 9.885 0.281 1.00 0.00 O ATOM 221 CB THR A 17 4.136 8.393 2.564 1.00 0.00 C ATOM 222 OG1 THR A 17 2.872 8.191 3.206 1.00 0.00 O ATOM 223 CG2 THR A 17 5.260 8.152 3.559 1.00 0.00 C ATOM 0 H THR A 17 3.328 9.407 0.131 1.00 0.00 H new ATOM 0 HA THR A 17 3.985 10.536 2.777 1.00 0.00 H new ATOM 0 HB THR A 17 4.243 7.686 1.742 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.889 7.347 3.704 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.186 7.138 3.953 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.221 8.279 3.060 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.180 8.866 4.378 1.00 0.00 H new ATOM 231 N THR A 18 6.511 10.494 2.359 1.00 0.00 N ATOM 232 CA THR A 18 7.893 10.771 1.990 1.00 0.00 C ATOM 233 C THR A 18 8.865 10.080 2.939 1.00 0.00 C ATOM 234 O THR A 18 9.072 10.529 4.066 1.00 0.00 O ATOM 235 CB THR A 18 8.182 12.284 1.989 1.00 0.00 C ATOM 236 OG1 THR A 18 7.327 12.946 1.050 1.00 0.00 O ATOM 237 CG2 THR A 18 9.637 12.557 1.637 1.00 0.00 C ATOM 0 H THR A 18 6.298 10.652 3.344 1.00 0.00 H new ATOM 0 HA THR A 18 8.035 10.381 0.982 1.00 0.00 H new ATOM 0 HB THR A 18 7.988 12.669 2.990 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.516 13.908 1.057 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.817 13.632 1.643 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.285 12.077 2.370 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.853 12.158 0.646 1.00 0.00 H new ATOM 245 N ALA A 19 9.460 8.986 2.476 1.00 0.00 N ATOM 246 CA ALA A 19 10.413 8.234 3.284 1.00 0.00 C ATOM 247 C ALA A 19 11.829 8.376 2.736 1.00 0.00 C ATOM 248 O ALA A 19 12.049 9.035 1.719 1.00 0.00 O ATOM 249 CB ALA A 19 10.013 6.768 3.344 1.00 0.00 C ATOM 0 H ALA A 19 9.299 8.600 1.546 1.00 0.00 H new ATOM 0 HA ALA A 19 10.399 8.644 4.294 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.733 6.219 3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.022 6.679 3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.997 6.354 2.336 1.00 0.00 H new ATOM 255 N TYR A 20 12.786 7.756 3.416 1.00 0.00 N ATOM 256 CA TYR A 20 14.182 7.816 2.999 1.00 0.00 C ATOM 257 C TYR A 20 14.654 6.462 2.478 1.00 0.00 C ATOM 258 O TYR A 20 14.041 5.430 2.754 1.00 0.00 O ATOM 259 CB TYR A 20 15.066 8.262 4.165 1.00 0.00 C ATOM 260 CG TYR A 20 14.941 9.734 4.491 1.00 0.00 C ATOM 261 CD1 TYR A 20 15.452 10.701 3.635 1.00 0.00 C ATOM 262 CD2 TYR A 20 14.311 10.156 5.655 1.00 0.00 C ATOM 263 CE1 TYR A 20 15.341 12.046 3.930 1.00 0.00 C ATOM 264 CE2 TYR A 20 14.193 11.499 5.957 1.00 0.00 C ATOM 265 CZ TYR A 20 14.711 12.440 5.091 1.00 0.00 C ATOM 266 OH TYR A 20 14.597 13.779 5.387 1.00 0.00 O ATOM 0 H TYR A 20 12.621 7.206 4.259 1.00 0.00 H new ATOM 0 HA TYR A 20 14.262 8.544 2.192 1.00 0.00 H new ATOM 0 HB2 TYR A 20 14.808 7.679 5.049 1.00 0.00 H new ATOM 0 HB3 TYR A 20 16.106 8.038 3.928 1.00 0.00 H new ATOM 0 HD1 TYR A 20 15.944 10.396 2.723 1.00 0.00 H new ATOM 0 HD2 TYR A 20 13.906 9.422 6.336 1.00 0.00 H new ATOM 0 HE1 TYR A 20 15.746 12.785 3.254 1.00 0.00 H new ATOM 0 HE2 TYR A 20 13.698 11.810 6.865 1.00 0.00 H new ATOM 0 HH TYR A 20 14.126 13.887 6.240 1.00 0.00 H new ATOM 276 N CYS A 21 15.747 6.474 1.724 1.00 0.00 N ATOM 277 CA CYS A 21 16.303 5.248 1.163 1.00 0.00 C ATOM 278 C CYS A 21 16.651 4.254 2.266 1.00 0.00 C ATOM 279 O CYS A 21 17.532 4.505 3.087 1.00 0.00 O ATOM 280 CB CYS A 21 17.548 5.561 0.331 1.00 0.00 C ATOM 281 SG CYS A 21 18.499 4.101 -0.153 1.00 0.00 S ATOM 0 H CYS A 21 16.266 7.319 1.487 1.00 0.00 H new ATOM 0 HA CYS A 21 15.548 4.798 0.518 1.00 0.00 H new ATOM 0 HB2 CYS A 21 17.246 6.099 -0.568 1.00 0.00 H new ATOM 0 HB3 CYS A 21 18.194 6.230 0.900 1.00 0.00 H new ATOM 0 HG CYS A 21 19.530 4.468 -0.854 1.00 0.00 H new ATOM 287 N GLY A 22 15.950 3.124 2.281 1.00 0.00 N ATOM 288 CA GLY A 22 16.198 2.110 3.289 1.00 0.00 C ATOM 289 C GLY A 22 15.139 2.099 4.373 1.00 0.00 C ATOM 290 O GLY A 22 14.785 1.041 4.893 1.00 0.00 O ATOM 0 H GLY A 22 15.215 2.893 1.613 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.236 1.130 2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.175 2.283 3.741 1.00 0.00 H new ATOM 294 N GLU A 23 14.633 3.280 4.716 1.00 0.00 N ATOM 295 CA GLU A 23 13.610 3.401 5.748 1.00 0.00 C ATOM 296 C GLU A 23 12.394 2.541 5.412 1.00 0.00 C ATOM 297 O GLU A 23 12.234 2.091 4.278 1.00 0.00 O ATOM 298 CB GLU A 23 13.186 4.862 5.908 1.00 0.00 C ATOM 299 CG GLU A 23 14.229 5.727 6.595 1.00 0.00 C ATOM 300 CD GLU A 23 15.592 5.630 5.938 1.00 0.00 C ATOM 301 OE1 GLU A 23 15.657 5.693 4.692 1.00 0.00 O ATOM 302 OE2 GLU A 23 16.595 5.490 6.670 1.00 0.00 O ATOM 0 H GLU A 23 14.915 4.165 4.295 1.00 0.00 H new ATOM 0 HA GLU A 23 14.035 3.048 6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.971 5.279 4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.259 4.902 6.480 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.898 6.766 6.585 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.312 5.429 7.640 1.00 0.00 H new ATOM 309 N ARG A 24 11.542 2.318 6.407 1.00 0.00 N ATOM 310 CA ARG A 24 10.342 1.511 6.219 1.00 0.00 C ATOM 311 C ARG A 24 9.124 2.397 5.979 1.00 0.00 C ATOM 312 O ARG A 24 8.836 3.302 6.762 1.00 0.00 O ATOM 313 CB ARG A 24 10.105 0.619 7.439 1.00 0.00 C ATOM 314 CG ARG A 24 8.725 -0.017 7.469 1.00 0.00 C ATOM 315 CD ARG A 24 8.239 -0.225 8.895 1.00 0.00 C ATOM 316 NE ARG A 24 8.573 -1.554 9.399 1.00 0.00 N ATOM 317 CZ ARG A 24 8.223 -1.993 10.603 1.00 0.00 C ATOM 318 NH1 ARG A 24 7.532 -1.213 11.422 1.00 0.00 N ATOM 319 NH2 ARG A 24 8.564 -3.216 10.989 1.00 0.00 N ATOM 0 H ARG A 24 11.660 2.685 7.351 1.00 0.00 H new ATOM 0 HA ARG A 24 10.491 0.882 5.341 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.859 -0.168 7.455 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.243 1.211 8.344 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.019 0.617 6.932 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.753 -0.975 6.950 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.683 0.531 9.543 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.159 -0.083 8.934 1.00 0.00 H new ATOM 0 HE ARG A 24 9.104 -2.180 8.793 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.267 -0.273 11.128 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.265 -1.553 12.346 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.095 -3.819 10.361 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.295 -3.553 11.914 1.00 0.00 H new ATOM 333 N VAL A 25 8.410 2.131 4.889 1.00 0.00 N ATOM 334 CA VAL A 25 7.222 2.903 4.546 1.00 0.00 C ATOM 335 C VAL A 25 5.956 2.212 5.039 1.00 0.00 C ATOM 336 O VAL A 25 5.781 1.009 4.851 1.00 0.00 O ATOM 337 CB VAL A 25 7.115 3.121 3.025 1.00 0.00 C ATOM 338 CG1 VAL A 25 5.869 3.925 2.687 1.00 0.00 C ATOM 339 CG2 VAL A 25 8.364 3.811 2.497 1.00 0.00 C ATOM 0 H VAL A 25 8.634 1.387 4.229 1.00 0.00 H new ATOM 0 HA VAL A 25 7.320 3.870 5.039 1.00 0.00 H new ATOM 0 HB VAL A 25 7.033 2.148 2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.810 4.069 1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.985 3.387 3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.917 4.896 3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.272 3.957 1.421 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.480 4.778 2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.237 3.193 2.705 1.00 0.00 H new ATOM 349 N GLU A 26 5.076 2.982 5.671 1.00 0.00 N ATOM 350 CA GLU A 26 3.825 2.443 6.192 1.00 0.00 C ATOM 351 C GLU A 26 2.639 3.294 5.747 1.00 0.00 C ATOM 352 O GLU A 26 2.477 4.433 6.188 1.00 0.00 O ATOM 353 CB GLU A 26 3.871 2.372 7.719 1.00 0.00 C ATOM 354 CG GLU A 26 4.586 1.141 8.250 1.00 0.00 C ATOM 355 CD GLU A 26 4.238 0.841 9.695 1.00 0.00 C ATOM 356 OE1 GLU A 26 3.085 0.441 9.957 1.00 0.00 O ATOM 357 OE2 GLU A 26 5.120 1.006 10.563 1.00 0.00 O ATOM 0 H GLU A 26 5.206 3.980 5.835 1.00 0.00 H new ATOM 0 HA GLU A 26 3.699 1.437 5.793 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.368 3.264 8.101 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.852 2.385 8.106 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.328 0.281 7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.663 1.285 8.162 1.00 0.00 H new ATOM 364 N LEU A 27 1.812 2.734 4.871 1.00 0.00 N ATOM 365 CA LEU A 27 0.640 3.441 4.365 1.00 0.00 C ATOM 366 C LEU A 27 -0.628 2.964 5.066 1.00 0.00 C ATOM 367 O LEU A 27 -0.979 1.786 5.000 1.00 0.00 O ATOM 368 CB LEU A 27 0.509 3.237 2.855 1.00 0.00 C ATOM 369 CG LEU A 27 1.753 3.557 2.024 1.00 0.00 C ATOM 370 CD1 LEU A 27 1.536 3.172 0.569 1.00 0.00 C ATOM 371 CD2 LEU A 27 2.106 5.032 2.141 1.00 0.00 C ATOM 0 H LEU A 27 1.931 1.793 4.496 1.00 0.00 H new ATOM 0 HA LEU A 27 0.770 4.503 4.572 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.231 2.199 2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.313 3.856 2.495 1.00 0.00 H new ATOM 0 HG LEU A 27 2.587 2.972 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.431 3.407 -0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.331 2.103 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.690 3.729 0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.993 5.242 1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.273 5.635 1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.305 5.277 3.184 1.00 0.00 H new ATOM 383 N GLU A 28 -1.312 3.887 5.735 1.00 0.00 N ATOM 384 CA GLU A 28 -2.541 3.560 6.446 1.00 0.00 C ATOM 385 C GLU A 28 -3.766 3.991 5.643 1.00 0.00 C ATOM 386 O GLU A 28 -3.740 5.009 4.950 1.00 0.00 O ATOM 387 CB GLU A 28 -2.556 4.233 7.820 1.00 0.00 C ATOM 388 CG GLU A 28 -3.576 3.639 8.778 1.00 0.00 C ATOM 389 CD GLU A 28 -4.000 4.615 9.858 1.00 0.00 C ATOM 390 OE1 GLU A 28 -4.789 5.533 9.551 1.00 0.00 O ATOM 391 OE2 GLU A 28 -3.543 4.461 11.010 1.00 0.00 O ATOM 0 H GLU A 28 -1.035 4.867 5.799 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.577 2.479 6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.564 4.154 8.264 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.765 5.295 7.693 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.454 3.321 8.216 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.155 2.748 9.244 1.00 0.00 H new ATOM 398 N CYS A 29 -4.835 3.210 5.742 1.00 0.00 N ATOM 399 CA CYS A 29 -6.069 3.509 5.024 1.00 0.00 C ATOM 400 C CYS A 29 -7.266 2.850 5.702 1.00 0.00 C ATOM 401 O CYS A 29 -7.107 1.939 6.514 1.00 0.00 O ATOM 402 CB CYS A 29 -5.967 3.037 3.573 1.00 0.00 C ATOM 403 SG CYS A 29 -5.710 1.257 3.392 1.00 0.00 S ATOM 0 H CYS A 29 -4.873 2.365 6.312 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.215 4.589 5.038 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.879 3.317 3.046 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.145 3.563 3.088 1.00 0.00 H new ATOM 0 HG CYS A 29 -4.520 1.036 2.918 1.00 0.00 H new ATOM 409 N GLU A 30 -8.463 3.319 5.365 1.00 0.00 N ATOM 410 CA GLU A 30 -9.687 2.776 5.944 1.00 0.00 C ATOM 411 C GLU A 30 -10.686 2.403 4.853 1.00 0.00 C ATOM 412 O GLU A 30 -10.641 2.937 3.745 1.00 0.00 O ATOM 413 CB GLU A 30 -10.316 3.789 6.903 1.00 0.00 C ATOM 414 CG GLU A 30 -9.804 3.676 8.329 1.00 0.00 C ATOM 415 CD GLU A 30 -10.474 4.661 9.268 1.00 0.00 C ATOM 416 OE1 GLU A 30 -11.721 4.675 9.321 1.00 0.00 O ATOM 417 OE2 GLU A 30 -9.750 5.416 9.950 1.00 0.00 O ATOM 0 H GLU A 30 -8.612 4.073 4.695 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.428 1.874 6.498 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.120 4.796 6.534 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.398 3.654 6.902 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.971 2.662 8.692 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.727 3.845 8.339 1.00 0.00 H new ATOM 424 N VAL A 31 -11.588 1.481 5.175 1.00 0.00 N ATOM 425 CA VAL A 31 -12.599 1.036 4.224 1.00 0.00 C ATOM 426 C VAL A 31 -13.999 1.146 4.817 1.00 0.00 C ATOM 427 O VAL A 31 -14.160 1.421 6.006 1.00 0.00 O ATOM 428 CB VAL A 31 -12.354 -0.420 3.784 1.00 0.00 C ATOM 429 CG1 VAL A 31 -11.118 -0.510 2.901 1.00 0.00 C ATOM 430 CG2 VAL A 31 -12.219 -1.327 4.998 1.00 0.00 C ATOM 0 H VAL A 31 -11.639 1.028 6.087 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.523 1.689 3.354 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.212 -0.755 3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.961 -1.546 2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.258 0.108 2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.248 -0.157 3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.046 -2.352 4.669 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.379 -0.995 5.608 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.135 -1.285 5.588 1.00 0.00 H new ATOM 440 N SER A 32 -15.009 0.931 3.981 1.00 0.00 N ATOM 441 CA SER A 32 -16.397 1.009 4.422 1.00 0.00 C ATOM 442 C SER A 32 -16.741 -0.158 5.342 1.00 0.00 C ATOM 443 O SER A 32 -17.543 -0.018 6.265 1.00 0.00 O ATOM 444 CB SER A 32 -17.338 1.018 3.216 1.00 0.00 C ATOM 445 OG SER A 32 -18.675 0.767 3.611 1.00 0.00 O ATOM 0 H SER A 32 -14.893 0.701 2.994 1.00 0.00 H new ATOM 0 HA SER A 32 -16.524 1.937 4.979 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.279 1.983 2.712 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.020 0.263 2.497 1.00 0.00 H new ATOM 0 HG SER A 32 -19.257 0.779 2.823 1.00 0.00 H new ATOM 451 N GLU A 33 -16.129 -1.309 5.083 1.00 0.00 N ATOM 452 CA GLU A 33 -16.372 -2.501 5.887 1.00 0.00 C ATOM 453 C GLU A 33 -15.219 -2.746 6.857 1.00 0.00 C ATOM 454 O GLU A 33 -14.205 -2.049 6.822 1.00 0.00 O ATOM 455 CB GLU A 33 -16.563 -3.722 4.985 1.00 0.00 C ATOM 456 CG GLU A 33 -17.927 -3.779 4.319 1.00 0.00 C ATOM 457 CD GLU A 33 -19.056 -3.961 5.316 1.00 0.00 C ATOM 458 OE1 GLU A 33 -19.296 -5.112 5.736 1.00 0.00 O ATOM 459 OE2 GLU A 33 -19.698 -2.952 5.675 1.00 0.00 O ATOM 0 H GLU A 33 -15.462 -1.441 4.323 1.00 0.00 H new ATOM 0 HA GLU A 33 -17.282 -2.340 6.464 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.792 -3.718 4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.419 -4.626 5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.090 -2.861 3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -17.944 -4.601 3.603 1.00 0.00 H new ATOM 466 N ASP A 34 -15.383 -3.742 7.721 1.00 0.00 N ATOM 467 CA ASP A 34 -14.357 -4.081 8.700 1.00 0.00 C ATOM 468 C ASP A 34 -13.652 -5.379 8.321 1.00 0.00 C ATOM 469 O ASP A 34 -14.167 -6.169 7.529 1.00 0.00 O ATOM 470 CB ASP A 34 -14.975 -4.210 10.094 1.00 0.00 C ATOM 471 CG ASP A 34 -16.114 -5.211 10.131 1.00 0.00 C ATOM 472 OD1 ASP A 34 -15.885 -6.383 9.767 1.00 0.00 O ATOM 473 OD2 ASP A 34 -17.233 -4.821 10.524 1.00 0.00 O ATOM 0 H ASP A 34 -16.216 -4.328 7.763 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.620 -3.278 8.710 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.205 -4.514 10.803 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.341 -3.236 10.418 1.00 0.00 H new ATOM 478 N ASP A 35 -12.470 -5.592 8.889 1.00 0.00 N ATOM 479 CA ASP A 35 -11.693 -6.794 8.611 1.00 0.00 C ATOM 480 C ASP A 35 -11.825 -7.199 7.146 1.00 0.00 C ATOM 481 O ASP A 35 -12.052 -8.367 6.833 1.00 0.00 O ATOM 482 CB ASP A 35 -12.148 -7.942 9.513 1.00 0.00 C ATOM 483 CG ASP A 35 -11.251 -9.158 9.400 1.00 0.00 C ATOM 484 OD1 ASP A 35 -10.135 -9.126 9.961 1.00 0.00 O ATOM 485 OD2 ASP A 35 -11.663 -10.142 8.750 1.00 0.00 O ATOM 0 H ASP A 35 -12.029 -4.947 9.545 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.645 -6.575 8.816 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.165 -7.602 10.548 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.169 -8.222 9.253 1.00 0.00 H new ATOM 490 N ALA A 36 -11.682 -6.225 6.253 1.00 0.00 N ATOM 491 CA ALA A 36 -11.784 -6.481 4.821 1.00 0.00 C ATOM 492 C ALA A 36 -10.431 -6.869 4.235 1.00 0.00 C ATOM 493 O ALA A 36 -9.400 -6.748 4.895 1.00 0.00 O ATOM 494 CB ALA A 36 -12.340 -5.258 4.106 1.00 0.00 C ATOM 0 H ALA A 36 -11.495 -5.252 6.496 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.467 -7.317 4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.411 -5.462 3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.330 -5.026 4.498 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.677 -4.408 4.270 1.00 0.00 H new ATOM 500 N ASN A 37 -10.443 -7.338 2.991 1.00 0.00 N ATOM 501 CA ASN A 37 -9.216 -7.746 2.317 1.00 0.00 C ATOM 502 C ASN A 37 -8.960 -6.883 1.085 1.00 0.00 C ATOM 503 O ASN A 37 -9.449 -7.177 -0.006 1.00 0.00 O ATOM 504 CB ASN A 37 -9.298 -9.219 1.912 1.00 0.00 C ATOM 505 CG ASN A 37 -8.064 -9.682 1.161 1.00 0.00 C ATOM 506 OD1 ASN A 37 -7.640 -9.050 0.194 1.00 0.00 O ATOM 507 ND2 ASN A 37 -7.483 -10.791 1.604 1.00 0.00 N ATOM 0 H ASN A 37 -11.288 -7.445 2.430 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.387 -7.612 3.012 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.428 -9.832 2.804 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.179 -9.373 1.288 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.650 -11.151 1.138 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.870 -11.282 2.410 1.00 0.00 H new ATOM 514 N VAL A 38 -8.188 -5.816 1.267 1.00 0.00 N ATOM 515 CA VAL A 38 -7.864 -4.910 0.172 1.00 0.00 C ATOM 516 C VAL A 38 -6.708 -5.449 -0.664 1.00 0.00 C ATOM 517 O VAL A 38 -5.943 -6.300 -0.209 1.00 0.00 O ATOM 518 CB VAL A 38 -7.497 -3.508 0.692 1.00 0.00 C ATOM 519 CG1 VAL A 38 -8.478 -3.063 1.766 1.00 0.00 C ATOM 520 CG2 VAL A 38 -6.071 -3.493 1.222 1.00 0.00 C ATOM 0 H VAL A 38 -7.775 -5.558 2.163 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.756 -4.836 -0.451 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.560 -2.804 -0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.203 -2.070 2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.485 -3.033 1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.451 -3.767 2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.828 -2.494 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.979 -4.209 2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.383 -3.765 0.422 1.00 0.00 H new ATOM 530 N LYS A 39 -6.586 -4.947 -1.888 1.00 0.00 N ATOM 531 CA LYS A 39 -5.522 -5.376 -2.788 1.00 0.00 C ATOM 532 C LYS A 39 -4.604 -4.210 -3.139 1.00 0.00 C ATOM 533 O LYS A 39 -5.009 -3.276 -3.833 1.00 0.00 O ATOM 534 CB LYS A 39 -6.116 -5.974 -4.065 1.00 0.00 C ATOM 535 CG LYS A 39 -6.524 -7.430 -3.922 1.00 0.00 C ATOM 536 CD LYS A 39 -7.854 -7.569 -3.200 1.00 0.00 C ATOM 537 CE LYS A 39 -9.026 -7.442 -4.161 1.00 0.00 C ATOM 538 NZ LYS A 39 -10.329 -7.675 -3.480 1.00 0.00 N ATOM 0 H LYS A 39 -7.211 -4.242 -2.280 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.933 -6.138 -2.277 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.987 -5.389 -4.359 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.387 -5.887 -4.870 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.595 -7.887 -4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.753 -7.972 -3.374 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.897 -8.535 -2.698 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.931 -6.804 -2.427 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.023 -6.448 -4.608 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.908 -8.158 -4.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.103 -7.580 -4.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.342 -8.633 -3.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.454 -6.976 -2.720 1.00 0.00 H new ATOM 552 N TRP A 40 -3.368 -4.270 -2.658 1.00 0.00 N ATOM 553 CA TRP A 40 -2.392 -3.219 -2.924 1.00 0.00 C ATOM 554 C TRP A 40 -1.658 -3.476 -4.235 1.00 0.00 C ATOM 555 O TRP A 40 -1.270 -4.606 -4.530 1.00 0.00 O ATOM 556 CB TRP A 40 -1.388 -3.124 -1.773 1.00 0.00 C ATOM 557 CG TRP A 40 -2.030 -2.861 -0.445 1.00 0.00 C ATOM 558 CD1 TRP A 40 -2.696 -3.762 0.336 1.00 0.00 C ATOM 559 CD2 TRP A 40 -2.068 -1.613 0.256 1.00 0.00 C ATOM 560 NE1 TRP A 40 -3.146 -3.149 1.481 1.00 0.00 N ATOM 561 CE2 TRP A 40 -2.773 -1.831 1.456 1.00 0.00 C ATOM 562 CE3 TRP A 40 -1.573 -0.334 -0.012 1.00 0.00 C ATOM 563 CZ2 TRP A 40 -2.994 -0.816 2.384 1.00 0.00 C ATOM 564 CZ3 TRP A 40 -1.794 0.672 0.910 1.00 0.00 C ATOM 565 CH2 TRP A 40 -2.499 0.426 2.095 1.00 0.00 C ATOM 0 H TRP A 40 -3.017 -5.035 -2.082 1.00 0.00 H new ATOM 0 HA TRP A 40 -2.928 -2.274 -3.009 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -0.822 -4.054 -1.717 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.675 -2.328 -1.987 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -2.847 -4.803 0.090 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.672 -3.602 2.228 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.028 -0.135 -0.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.537 -1.003 3.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.417 1.665 0.713 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.655 1.234 2.795 1.00 0.00 H new ATOM 576 N PHE A 41 -1.471 -2.420 -5.020 1.00 0.00 N ATOM 577 CA PHE A 41 -0.784 -2.532 -6.301 1.00 0.00 C ATOM 578 C PHE A 41 0.326 -1.491 -6.416 1.00 0.00 C ATOM 579 O PHE A 41 0.149 -0.333 -6.037 1.00 0.00 O ATOM 580 CB PHE A 41 -1.777 -2.364 -7.453 1.00 0.00 C ATOM 581 CG PHE A 41 -2.914 -3.345 -7.412 1.00 0.00 C ATOM 582 CD1 PHE A 41 -3.971 -3.165 -6.534 1.00 0.00 C ATOM 583 CD2 PHE A 41 -2.926 -4.447 -8.252 1.00 0.00 C ATOM 584 CE1 PHE A 41 -5.017 -4.067 -6.493 1.00 0.00 C ATOM 585 CE2 PHE A 41 -3.971 -5.352 -8.216 1.00 0.00 C ATOM 586 CZ PHE A 41 -5.018 -5.161 -7.337 1.00 0.00 C ATOM 0 H PHE A 41 -1.786 -1.477 -4.791 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.336 -3.524 -6.359 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.180 -1.352 -7.430 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.246 -2.474 -8.399 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.977 -2.310 -5.874 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.110 -4.601 -8.943 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.833 -3.917 -5.802 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.968 -6.208 -8.875 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.836 -5.865 -7.309 1.00 0.00 H new ATOM 596 N LYS A 42 1.471 -1.911 -6.942 1.00 0.00 N ATOM 597 CA LYS A 42 2.611 -1.018 -7.109 1.00 0.00 C ATOM 598 C LYS A 42 2.713 -0.529 -8.550 1.00 0.00 C ATOM 599 O LYS A 42 3.218 -1.236 -9.420 1.00 0.00 O ATOM 600 CB LYS A 42 3.905 -1.728 -6.707 1.00 0.00 C ATOM 601 CG LYS A 42 5.057 -0.780 -6.422 1.00 0.00 C ATOM 602 CD LYS A 42 6.398 -1.421 -6.734 1.00 0.00 C ATOM 603 CE LYS A 42 7.426 -0.385 -7.163 1.00 0.00 C ATOM 604 NZ LYS A 42 8.092 0.252 -5.993 1.00 0.00 N ATOM 0 H LYS A 42 1.634 -2.866 -7.261 1.00 0.00 H new ATOM 0 HA LYS A 42 2.462 -0.154 -6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.717 -2.334 -5.821 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.197 -2.412 -7.504 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.939 0.126 -7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.031 -0.480 -5.374 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.761 -1.953 -5.855 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.273 -2.161 -7.525 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.177 -0.859 -7.795 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.939 0.382 -7.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.124 0.193 -6.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.807 1.250 -5.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.811 -0.242 -5.122 1.00 0.00 H new ATOM 618 N ASN A 43 2.231 0.686 -8.794 1.00 0.00 N ATOM 619 CA ASN A 43 2.269 1.269 -10.130 1.00 0.00 C ATOM 620 C ASN A 43 1.413 0.461 -11.101 1.00 0.00 C ATOM 621 O ASN A 43 1.693 0.411 -12.298 1.00 0.00 O ATOM 622 CB ASN A 43 3.711 1.337 -10.638 1.00 0.00 C ATOM 623 CG ASN A 43 4.392 2.642 -10.271 1.00 0.00 C ATOM 624 OD1 ASN A 43 3.739 3.602 -9.863 1.00 0.00 O ATOM 625 ND2 ASN A 43 5.711 2.681 -10.416 1.00 0.00 N ATOM 0 H ASN A 43 1.810 1.285 -8.084 1.00 0.00 H new ATOM 0 HA ASN A 43 1.864 2.279 -10.071 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.279 0.504 -10.223 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.718 1.219 -11.722 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.224 3.532 -10.186 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.211 1.860 -10.758 1.00 0.00 H new ATOM 632 N GLY A 44 0.367 -0.170 -10.576 1.00 0.00 N ATOM 633 CA GLY A 44 -0.514 -0.967 -11.409 1.00 0.00 C ATOM 634 C GLY A 44 -0.330 -2.455 -11.190 1.00 0.00 C ATOM 635 O GLY A 44 -1.276 -3.230 -11.330 1.00 0.00 O ATOM 0 H GLY A 44 0.114 -0.143 -9.588 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.549 -0.697 -11.200 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.329 -0.732 -12.457 1.00 0.00 H new ATOM 639 N GLU A 45 0.891 -2.855 -10.848 1.00 0.00 N ATOM 640 CA GLU A 45 1.194 -4.262 -10.612 1.00 0.00 C ATOM 641 C GLU A 45 0.635 -4.722 -9.268 1.00 0.00 C ATOM 642 O GLU A 45 0.583 -3.951 -8.311 1.00 0.00 O ATOM 643 CB GLU A 45 2.706 -4.494 -10.654 1.00 0.00 C ATOM 644 CG GLU A 45 3.382 -4.349 -9.300 1.00 0.00 C ATOM 645 CD GLU A 45 4.888 -4.507 -9.381 1.00 0.00 C ATOM 646 OE1 GLU A 45 5.503 -3.886 -10.273 1.00 0.00 O ATOM 647 OE2 GLU A 45 5.451 -5.250 -8.550 1.00 0.00 O ATOM 0 H GLU A 45 1.685 -2.226 -10.728 1.00 0.00 H new ATOM 0 HA GLU A 45 0.721 -4.846 -11.401 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.901 -5.493 -11.043 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.154 -3.787 -11.352 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.145 -3.370 -8.882 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.978 -5.094 -8.615 1.00 0.00 H new ATOM 654 N GLU A 46 0.219 -5.983 -9.207 1.00 0.00 N ATOM 655 CA GLU A 46 -0.338 -6.544 -7.982 1.00 0.00 C ATOM 656 C GLU A 46 0.772 -6.983 -7.032 1.00 0.00 C ATOM 657 O GLU A 46 1.711 -7.671 -7.433 1.00 0.00 O ATOM 658 CB GLU A 46 -1.246 -7.732 -8.306 1.00 0.00 C ATOM 659 CG GLU A 46 -1.799 -8.429 -7.074 1.00 0.00 C ATOM 660 CD GLU A 46 -2.980 -9.326 -7.392 1.00 0.00 C ATOM 661 OE1 GLU A 46 -2.755 -10.500 -7.750 1.00 0.00 O ATOM 662 OE2 GLU A 46 -4.130 -8.851 -7.282 1.00 0.00 O ATOM 0 H GLU A 46 0.257 -6.635 -9.991 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.927 -5.769 -7.492 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.077 -7.386 -8.921 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.687 -8.454 -8.901 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.010 -9.023 -6.612 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.103 -7.680 -6.343 1.00 0.00 H new ATOM 669 N ILE A 47 0.657 -6.579 -5.771 1.00 0.00 N ATOM 670 CA ILE A 47 1.650 -6.931 -4.763 1.00 0.00 C ATOM 671 C ILE A 47 1.286 -8.237 -4.066 1.00 0.00 C ATOM 672 O ILE A 47 0.130 -8.458 -3.704 1.00 0.00 O ATOM 673 CB ILE A 47 1.797 -5.820 -3.706 1.00 0.00 C ATOM 674 CG1 ILE A 47 2.382 -4.556 -4.340 1.00 0.00 C ATOM 675 CG2 ILE A 47 2.671 -6.297 -2.556 1.00 0.00 C ATOM 676 CD1 ILE A 47 2.472 -3.388 -3.383 1.00 0.00 C ATOM 0 H ILE A 47 -0.113 -6.008 -5.423 1.00 0.00 H new ATOM 0 HA ILE A 47 2.600 -7.053 -5.284 1.00 0.00 H new ATOM 0 HB ILE A 47 0.810 -5.581 -3.311 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.378 -4.779 -4.724 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.768 -4.270 -5.194 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.766 -5.501 -1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.216 -7.172 -2.091 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.659 -6.560 -2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.895 -2.526 -3.899 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.476 -3.139 -3.018 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.110 -3.656 -2.541 1.00 0.00 H new ATOM 688 N ILE A 48 2.281 -9.098 -3.878 1.00 0.00 N ATOM 689 CA ILE A 48 2.066 -10.381 -3.221 1.00 0.00 C ATOM 690 C ILE A 48 2.989 -10.543 -2.017 1.00 0.00 C ATOM 691 O ILE A 48 4.108 -11.046 -2.125 1.00 0.00 O ATOM 692 CB ILE A 48 2.295 -11.555 -4.191 1.00 0.00 C ATOM 693 CG1 ILE A 48 1.443 -11.379 -5.450 1.00 0.00 C ATOM 694 CG2 ILE A 48 1.973 -12.876 -3.508 1.00 0.00 C ATOM 695 CD1 ILE A 48 0.015 -11.848 -5.284 1.00 0.00 C ATOM 0 H ILE A 48 3.243 -8.930 -4.171 1.00 0.00 H new ATOM 0 HA ILE A 48 1.029 -10.395 -2.886 1.00 0.00 H new ATOM 0 HB ILE A 48 3.345 -11.565 -4.484 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.440 -10.326 -5.733 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.904 -11.928 -6.271 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.140 -13.697 -4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.618 -13.003 -2.638 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.931 -12.876 -3.190 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.530 -11.693 -6.215 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.007 -12.908 -5.031 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.464 -11.281 -4.485 1.00 0.00 H new ATOM 707 N PRO A 49 2.510 -10.110 -0.842 1.00 0.00 N ATOM 708 CA PRO A 49 3.274 -10.198 0.406 1.00 0.00 C ATOM 709 C PRO A 49 3.431 -11.636 0.888 1.00 0.00 C ATOM 710 O PRO A 49 2.907 -12.567 0.278 1.00 0.00 O ATOM 711 CB PRO A 49 2.432 -9.391 1.396 1.00 0.00 C ATOM 712 CG PRO A 49 1.045 -9.457 0.856 1.00 0.00 C ATOM 713 CD PRO A 49 1.184 -9.500 -0.640 1.00 0.00 C ATOM 0 HA PRO A 49 4.291 -9.825 0.288 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.487 -9.814 2.399 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.781 -8.361 1.465 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.524 -10.341 1.225 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.463 -8.590 1.169 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.394 -10.094 -1.100 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.129 -8.503 -1.078 1.00 0.00 H new ATOM 721 N GLY A 50 4.156 -11.811 1.990 1.00 0.00 N ATOM 722 CA GLY A 50 4.368 -13.138 2.536 1.00 0.00 C ATOM 723 C GLY A 50 5.555 -13.195 3.476 1.00 0.00 C ATOM 724 O GLY A 50 6.090 -12.170 3.898 1.00 0.00 O ATOM 0 H GLY A 50 4.600 -11.057 2.514 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.471 -13.456 3.068 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.521 -13.843 1.719 1.00 0.00 H new ATOM 728 N PRO A 51 5.985 -14.419 3.819 1.00 0.00 N ATOM 729 CA PRO A 51 7.121 -14.635 4.720 1.00 0.00 C ATOM 730 C PRO A 51 8.449 -14.240 4.084 1.00 0.00 C ATOM 731 O PRO A 51 9.375 -13.810 4.772 1.00 0.00 O ATOM 732 CB PRO A 51 7.082 -16.142 4.985 1.00 0.00 C ATOM 733 CG PRO A 51 6.395 -16.718 3.794 1.00 0.00 C ATOM 734 CD PRO A 51 5.395 -15.685 3.353 1.00 0.00 C ATOM 0 HA PRO A 51 7.047 -14.028 5.622 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.086 -16.550 5.099 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.540 -16.369 5.903 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.108 -16.935 2.999 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.901 -17.657 4.044 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.261 -15.692 2.271 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.415 -15.859 3.797 1.00 0.00 H new ATOM 742 N LYS A 52 8.536 -14.389 2.766 1.00 0.00 N ATOM 743 CA LYS A 52 9.750 -14.046 2.036 1.00 0.00 C ATOM 744 C LYS A 52 9.608 -12.691 1.350 1.00 0.00 C ATOM 745 O LYS A 52 10.549 -11.897 1.321 1.00 0.00 O ATOM 746 CB LYS A 52 10.067 -15.125 0.998 1.00 0.00 C ATOM 747 CG LYS A 52 10.689 -16.377 1.592 1.00 0.00 C ATOM 748 CD LYS A 52 9.629 -17.328 2.121 1.00 0.00 C ATOM 749 CE LYS A 52 10.182 -18.734 2.301 1.00 0.00 C ATOM 750 NZ LYS A 52 10.890 -18.889 3.602 1.00 0.00 N ATOM 0 H LYS A 52 7.779 -14.745 2.182 1.00 0.00 H new ATOM 0 HA LYS A 52 10.570 -13.987 2.751 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.149 -15.397 0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.745 -14.711 0.252 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.287 -16.882 0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.366 -16.100 2.400 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.251 -16.959 3.075 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.785 -17.353 1.432 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.367 -19.455 2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.868 -18.962 1.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.252 -19.860 3.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.684 -18.219 3.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.229 -18.697 4.382 1.00 0.00 H new ATOM 764 N SER A 53 8.426 -12.433 0.799 1.00 0.00 N ATOM 765 CA SER A 53 8.162 -11.174 0.111 1.00 0.00 C ATOM 766 C SER A 53 8.612 -9.987 0.957 1.00 0.00 C ATOM 767 O SER A 53 8.802 -10.111 2.167 1.00 0.00 O ATOM 768 CB SER A 53 6.672 -11.049 -0.213 1.00 0.00 C ATOM 769 OG SER A 53 6.235 -12.123 -1.027 1.00 0.00 O ATOM 0 H SER A 53 7.636 -13.078 0.815 1.00 0.00 H new ATOM 0 HA SER A 53 8.731 -11.170 -0.819 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.096 -11.032 0.712 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.486 -10.103 -0.722 1.00 0.00 H new ATOM 0 HG SER A 53 5.559 -11.800 -1.659 1.00 0.00 H new ATOM 775 N ARG A 54 8.781 -8.838 0.311 1.00 0.00 N ATOM 776 CA ARG A 54 9.209 -7.629 1.003 1.00 0.00 C ATOM 777 C ARG A 54 8.010 -6.869 1.564 1.00 0.00 C ATOM 778 O ARG A 54 8.081 -6.291 2.649 1.00 0.00 O ATOM 779 CB ARG A 54 10.000 -6.726 0.055 1.00 0.00 C ATOM 780 CG ARG A 54 11.479 -7.068 -0.021 1.00 0.00 C ATOM 781 CD ARG A 54 12.168 -6.858 1.318 1.00 0.00 C ATOM 782 NE ARG A 54 13.615 -6.724 1.174 1.00 0.00 N ATOM 783 CZ ARG A 54 14.444 -6.556 2.199 1.00 0.00 C ATOM 784 NH1 ARG A 54 13.971 -6.502 3.436 1.00 0.00 N ATOM 785 NH2 ARG A 54 15.749 -6.443 1.987 1.00 0.00 N ATOM 0 H ARG A 54 8.628 -8.719 -0.690 1.00 0.00 H new ATOM 0 HA ARG A 54 9.851 -7.924 1.833 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.568 -6.795 -0.943 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.891 -5.691 0.378 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.598 -8.105 -0.334 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.958 -6.449 -0.779 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.767 -5.964 1.796 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.945 -7.698 1.976 1.00 0.00 H new ATOM 0 HE ARG A 54 14.011 -6.761 0.235 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.969 -6.589 3.603 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.609 -6.373 4.221 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.117 -6.485 1.037 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.384 -6.314 2.774 1.00 0.00 H new ATOM 799 N TYR A 55 6.911 -6.875 0.818 1.00 0.00 N ATOM 800 CA TYR A 55 5.698 -6.185 1.239 1.00 0.00 C ATOM 801 C TYR A 55 4.891 -7.043 2.209 1.00 0.00 C ATOM 802 O TYR A 55 4.889 -8.270 2.114 1.00 0.00 O ATOM 803 CB TYR A 55 4.842 -5.827 0.023 1.00 0.00 C ATOM 804 CG TYR A 55 5.589 -5.049 -1.036 1.00 0.00 C ATOM 805 CD1 TYR A 55 6.328 -5.702 -2.014 1.00 0.00 C ATOM 806 CD2 TYR A 55 5.555 -3.660 -1.059 1.00 0.00 C ATOM 807 CE1 TYR A 55 7.013 -4.995 -2.984 1.00 0.00 C ATOM 808 CE2 TYR A 55 6.236 -2.945 -2.025 1.00 0.00 C ATOM 809 CZ TYR A 55 6.964 -3.617 -2.985 1.00 0.00 C ATOM 810 OH TYR A 55 7.643 -2.909 -3.950 1.00 0.00 O ATOM 0 H TYR A 55 6.835 -7.350 -0.081 1.00 0.00 H new ATOM 0 HA TYR A 55 5.991 -5.269 1.751 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.452 -6.744 -0.419 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.983 -5.242 0.353 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.368 -6.781 -2.017 1.00 0.00 H new ATOM 0 HD2 TYR A 55 4.986 -3.130 -0.309 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.583 -5.519 -3.737 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.199 -1.866 -2.029 1.00 0.00 H new ATOM 0 HH TYR A 55 7.466 -1.952 -3.839 1.00 0.00 H new ATOM 820 N ARG A 56 4.207 -6.387 3.141 1.00 0.00 N ATOM 821 CA ARG A 56 3.397 -7.088 4.129 1.00 0.00 C ATOM 822 C ARG A 56 2.110 -6.322 4.419 1.00 0.00 C ATOM 823 O ARG A 56 2.138 -5.249 5.023 1.00 0.00 O ATOM 824 CB ARG A 56 4.189 -7.286 5.422 1.00 0.00 C ATOM 825 CG ARG A 56 5.550 -7.928 5.211 1.00 0.00 C ATOM 826 CD ARG A 56 6.552 -7.467 6.258 1.00 0.00 C ATOM 827 NE ARG A 56 7.560 -8.486 6.537 1.00 0.00 N ATOM 828 CZ ARG A 56 8.516 -8.829 5.681 1.00 0.00 C ATOM 829 NH1 ARG A 56 8.593 -8.237 4.497 1.00 0.00 N ATOM 830 NH2 ARG A 56 9.396 -9.766 6.008 1.00 0.00 N ATOM 0 H ARG A 56 4.198 -5.371 3.232 1.00 0.00 H new ATOM 0 HA ARG A 56 3.134 -8.064 3.720 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.324 -6.319 5.907 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.606 -7.906 6.104 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.452 -9.013 5.252 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.921 -7.679 4.217 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.043 -6.556 5.914 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.025 -7.217 7.179 1.00 0.00 H new ATOM 0 HE ARG A 56 7.528 -8.961 7.439 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.917 -7.517 4.242 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.328 -8.502 3.841 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.339 -10.224 6.918 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.130 -10.029 5.350 1.00 0.00 H new ATOM 844 N ILE A 57 0.984 -6.879 3.986 1.00 0.00 N ATOM 845 CA ILE A 57 -0.312 -6.248 4.201 1.00 0.00 C ATOM 846 C ILE A 57 -0.888 -6.623 5.562 1.00 0.00 C ATOM 847 O ILE A 57 -1.309 -7.760 5.777 1.00 0.00 O ATOM 848 CB ILE A 57 -1.319 -6.643 3.104 1.00 0.00 C ATOM 849 CG1 ILE A 57 -0.763 -6.293 1.722 1.00 0.00 C ATOM 850 CG2 ILE A 57 -2.653 -5.950 3.335 1.00 0.00 C ATOM 851 CD1 ILE A 57 -1.375 -7.105 0.601 1.00 0.00 C ATOM 0 H ILE A 57 0.943 -7.766 3.484 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.148 -5.171 4.163 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.479 -7.720 3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.934 -5.234 1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.316 -6.447 1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.354 -6.239 2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.052 -6.244 4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.510 -4.870 3.313 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.934 -6.804 -0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.182 -8.164 0.771 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.451 -6.933 0.572 1.00 0.00 H new ATOM 863 N ARG A 58 -0.904 -5.660 6.477 1.00 0.00 N ATOM 864 CA ARG A 58 -1.429 -5.889 7.818 1.00 0.00 C ATOM 865 C ARG A 58 -2.860 -5.371 7.937 1.00 0.00 C ATOM 866 O ARG A 58 -3.203 -4.329 7.380 1.00 0.00 O ATOM 867 CB ARG A 58 -0.540 -5.207 8.860 1.00 0.00 C ATOM 868 CG ARG A 58 -1.134 -5.204 10.259 1.00 0.00 C ATOM 869 CD ARG A 58 -0.220 -4.502 11.251 1.00 0.00 C ATOM 870 NE ARG A 58 0.993 -5.270 11.516 1.00 0.00 N ATOM 871 CZ ARG A 58 2.054 -4.775 12.143 1.00 0.00 C ATOM 872 NH1 ARG A 58 2.052 -3.519 12.567 1.00 0.00 N ATOM 873 NH2 ARG A 58 3.121 -5.538 12.348 1.00 0.00 N ATOM 0 H ARG A 58 -0.560 -4.714 6.315 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.433 -6.963 8.001 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.427 -5.710 8.886 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.356 -4.178 8.551 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.104 -4.708 10.242 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.306 -6.230 10.584 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.050 -3.520 10.863 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.757 -4.338 12.185 1.00 0.00 H new ATOM 0 HE ARG A 58 1.028 -6.240 11.202 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.234 -2.930 12.412 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.868 -3.142 13.048 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.126 -6.505 12.024 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.935 -5.157 12.830 1.00 0.00 H new ATOM 887 N VAL A 59 -3.691 -6.108 8.668 1.00 0.00 N ATOM 888 CA VAL A 59 -5.084 -5.723 8.862 1.00 0.00 C ATOM 889 C VAL A 59 -5.351 -5.337 10.312 1.00 0.00 C ATOM 890 O VAL A 59 -5.184 -6.149 11.221 1.00 0.00 O ATOM 891 CB VAL A 59 -6.041 -6.862 8.460 1.00 0.00 C ATOM 892 CG1 VAL A 59 -7.486 -6.458 8.712 1.00 0.00 C ATOM 893 CG2 VAL A 59 -5.832 -7.244 7.003 1.00 0.00 C ATOM 0 H VAL A 59 -3.424 -6.974 9.135 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.267 -4.861 8.221 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.820 -7.734 9.075 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.148 -7.274 8.422 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.623 -6.238 9.771 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.724 -5.572 8.124 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.516 -8.050 6.736 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.025 -6.379 6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.804 -7.578 6.858 1.00 0.00 H new ATOM 903 N GLU A 60 -5.768 -4.092 10.520 1.00 0.00 N ATOM 904 CA GLU A 60 -6.058 -3.598 11.861 1.00 0.00 C ATOM 905 C GLU A 60 -7.446 -2.967 11.920 1.00 0.00 C ATOM 906 O GLU A 60 -7.645 -1.837 11.475 1.00 0.00 O ATOM 907 CB GLU A 60 -5.003 -2.578 12.292 1.00 0.00 C ATOM 908 CG GLU A 60 -3.809 -3.198 12.999 1.00 0.00 C ATOM 909 CD GLU A 60 -4.216 -4.189 14.071 1.00 0.00 C ATOM 910 OE1 GLU A 60 -4.426 -3.761 15.225 1.00 0.00 O ATOM 911 OE2 GLU A 60 -4.326 -5.393 13.757 1.00 0.00 O ATOM 0 H GLU A 60 -5.912 -3.408 9.778 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.034 -4.446 12.546 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.653 -2.037 11.413 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.466 -1.846 12.954 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.178 -3.700 12.266 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.208 -2.408 13.449 1.00 0.00 H new ATOM 918 N GLY A 61 -8.403 -3.706 12.471 1.00 0.00 N ATOM 919 CA GLY A 61 -9.761 -3.203 12.578 1.00 0.00 C ATOM 920 C GLY A 61 -10.376 -2.904 11.225 1.00 0.00 C ATOM 921 O GLY A 61 -10.485 -3.787 10.375 1.00 0.00 O ATOM 0 H GLY A 61 -8.263 -4.644 12.846 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.377 -3.936 13.100 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.763 -2.296 13.183 1.00 0.00 H new ATOM 925 N LYS A 62 -10.780 -1.654 11.025 1.00 0.00 N ATOM 926 CA LYS A 62 -11.388 -1.239 9.766 1.00 0.00 C ATOM 927 C LYS A 62 -10.391 -0.465 8.909 1.00 0.00 C ATOM 928 O LYS A 62 -10.765 0.162 7.918 1.00 0.00 O ATOM 929 CB LYS A 62 -12.624 -0.377 10.033 1.00 0.00 C ATOM 930 CG LYS A 62 -13.475 -0.875 11.189 1.00 0.00 C ATOM 931 CD LYS A 62 -14.795 -0.126 11.273 1.00 0.00 C ATOM 932 CE LYS A 62 -15.520 -0.122 9.936 1.00 0.00 C ATOM 933 NZ LYS A 62 -15.157 1.064 9.112 1.00 0.00 N ATOM 0 H LYS A 62 -10.697 -0.911 11.719 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.688 -2.135 9.223 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.306 0.645 10.241 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.235 -0.344 9.131 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.668 -1.941 11.067 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.927 -0.755 12.124 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.429 -0.587 12.030 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.613 0.900 11.592 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.277 -1.033 9.388 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.597 -0.130 10.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.995 1.667 8.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.411 1.606 9.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.812 0.749 8.183 1.00 0.00 H new ATOM 947 N LYS A 63 -9.122 -0.514 9.297 1.00 0.00 N ATOM 948 CA LYS A 63 -8.070 0.180 8.564 1.00 0.00 C ATOM 949 C LYS A 63 -6.918 -0.766 8.240 1.00 0.00 C ATOM 950 O LYS A 63 -6.578 -1.642 9.036 1.00 0.00 O ATOM 951 CB LYS A 63 -7.553 1.370 9.376 1.00 0.00 C ATOM 952 CG LYS A 63 -6.539 0.987 10.439 1.00 0.00 C ATOM 953 CD LYS A 63 -5.771 2.198 10.940 1.00 0.00 C ATOM 954 CE LYS A 63 -6.647 3.095 11.802 1.00 0.00 C ATOM 955 NZ LYS A 63 -6.658 2.659 13.225 1.00 0.00 N ATOM 0 H LYS A 63 -8.796 -1.028 10.116 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.494 0.543 7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.100 2.093 8.697 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.397 1.867 9.854 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.050 0.508 11.274 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.841 0.256 10.031 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.906 1.869 11.517 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.391 2.766 10.091 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.287 4.122 11.740 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.665 3.090 11.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.266 3.296 13.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.025 1.688 13.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.690 2.688 13.604 1.00 0.00 H new ATOM 969 N HIS A 64 -6.319 -0.583 7.067 1.00 0.00 N ATOM 970 CA HIS A 64 -5.204 -1.419 6.639 1.00 0.00 C ATOM 971 C HIS A 64 -3.884 -0.660 6.744 1.00 0.00 C ATOM 972 O HIS A 64 -3.870 0.567 6.844 1.00 0.00 O ATOM 973 CB HIS A 64 -5.418 -1.896 5.202 1.00 0.00 C ATOM 974 CG HIS A 64 -6.479 -2.945 5.071 1.00 0.00 C ATOM 975 ND1 HIS A 64 -6.239 -4.198 4.548 1.00 0.00 N ATOM 976 CD2 HIS A 64 -7.792 -2.922 5.401 1.00 0.00 C ATOM 977 CE1 HIS A 64 -7.358 -4.900 4.560 1.00 0.00 C ATOM 978 NE2 HIS A 64 -8.316 -4.149 5.074 1.00 0.00 N ATOM 0 H HIS A 64 -6.588 0.137 6.396 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.158 -2.286 7.298 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.685 -1.041 4.580 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.479 -2.291 4.815 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -8.328 -2.093 5.840 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.471 -5.915 4.209 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.286 -4.434 5.206 1.00 0.00 H new ATOM 987 N ILE A 65 -2.780 -1.398 6.720 1.00 0.00 N ATOM 988 CA ILE A 65 -1.456 -0.794 6.812 1.00 0.00 C ATOM 989 C ILE A 65 -0.440 -1.567 5.979 1.00 0.00 C ATOM 990 O ILE A 65 -0.101 -2.708 6.296 1.00 0.00 O ATOM 991 CB ILE A 65 -0.966 -0.731 8.271 1.00 0.00 C ATOM 992 CG1 ILE A 65 -1.894 0.153 9.106 1.00 0.00 C ATOM 993 CG2 ILE A 65 0.463 -0.212 8.328 1.00 0.00 C ATOM 994 CD1 ILE A 65 -3.033 -0.605 9.751 1.00 0.00 C ATOM 0 H ILE A 65 -2.775 -2.415 6.638 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.544 0.220 6.423 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.983 -1.738 8.688 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.310 0.646 9.883 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.305 0.937 8.470 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.795 -0.173 9.366 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.115 -0.878 7.763 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.504 0.788 7.896 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.649 0.085 10.327 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.641 -1.076 8.978 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.631 -1.372 10.413 1.00 0.00 H new ATOM 1006 N LEU A 66 0.044 -0.939 4.914 1.00 0.00 N ATOM 1007 CA LEU A 66 1.025 -1.567 4.035 1.00 0.00 C ATOM 1008 C LEU A 66 2.443 -1.160 4.422 1.00 0.00 C ATOM 1009 O LEU A 66 2.838 -0.007 4.248 1.00 0.00 O ATOM 1010 CB LEU A 66 0.752 -1.184 2.579 1.00 0.00 C ATOM 1011 CG LEU A 66 1.656 -1.838 1.533 1.00 0.00 C ATOM 1012 CD1 LEU A 66 1.360 -3.326 1.426 1.00 0.00 C ATOM 1013 CD2 LEU A 66 1.484 -1.160 0.181 1.00 0.00 C ATOM 0 H LEU A 66 -0.226 0.005 4.638 1.00 0.00 H new ATOM 0 HA LEU A 66 0.935 -2.648 4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.282 -1.437 2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.845 -0.102 2.485 1.00 0.00 H new ATOM 0 HG LEU A 66 2.692 -1.717 1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.013 -3.774 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.535 -3.802 2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.320 -3.470 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.135 -1.638 -0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.447 -1.250 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.747 -0.106 0.267 1.00 0.00 H new ATOM 1025 N ILE A 67 3.204 -2.115 4.946 1.00 0.00 N ATOM 1026 CA ILE A 67 4.579 -1.856 5.355 1.00 0.00 C ATOM 1027 C ILE A 67 5.566 -2.325 4.290 1.00 0.00 C ATOM 1028 O ILE A 67 5.383 -3.379 3.681 1.00 0.00 O ATOM 1029 CB ILE A 67 4.911 -2.553 6.688 1.00 0.00 C ATOM 1030 CG1 ILE A 67 6.362 -2.275 7.086 1.00 0.00 C ATOM 1031 CG2 ILE A 67 4.663 -4.050 6.579 1.00 0.00 C ATOM 1032 CD1 ILE A 67 7.348 -3.263 6.504 1.00 0.00 C ATOM 0 H ILE A 67 2.892 -3.074 5.097 1.00 0.00 H new ATOM 0 HA ILE A 67 4.672 -0.778 5.485 1.00 0.00 H new ATOM 0 HB ILE A 67 4.258 -2.152 7.463 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.633 -1.270 6.762 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.442 -2.292 8.173 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.902 -4.529 7.529 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.615 -4.229 6.336 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.294 -4.467 5.794 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.356 -3.005 6.828 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.103 -4.268 6.848 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.297 -3.230 5.416 1.00 0.00 H new ATOM 1044 N ILE A 68 6.613 -1.535 4.074 1.00 0.00 N ATOM 1045 CA ILE A 68 7.630 -1.871 3.085 1.00 0.00 C ATOM 1046 C ILE A 68 9.020 -1.896 3.713 1.00 0.00 C ATOM 1047 O ILE A 68 9.625 -0.850 3.945 1.00 0.00 O ATOM 1048 CB ILE A 68 7.627 -0.872 1.913 1.00 0.00 C ATOM 1049 CG1 ILE A 68 6.195 -0.604 1.447 1.00 0.00 C ATOM 1050 CG2 ILE A 68 8.473 -1.401 0.764 1.00 0.00 C ATOM 1051 CD1 ILE A 68 6.063 0.626 0.576 1.00 0.00 C ATOM 0 H ILE A 68 6.779 -0.659 4.570 1.00 0.00 H new ATOM 0 HA ILE A 68 7.387 -2.864 2.706 1.00 0.00 H new ATOM 0 HB ILE A 68 8.060 0.068 2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.833 -1.471 0.894 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.552 -0.492 2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.461 -0.684 -0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.498 -1.546 1.104 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.066 -2.352 0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.021 0.754 0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.394 1.503 1.132 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.679 0.508 -0.316 1.00 0.00 H new ATOM 1063 N GLU A 69 9.519 -3.097 3.984 1.00 0.00 N ATOM 1064 CA GLU A 69 10.838 -3.258 4.585 1.00 0.00 C ATOM 1065 C GLU A 69 11.936 -2.873 3.597 1.00 0.00 C ATOM 1066 O GLU A 69 12.238 -3.618 2.666 1.00 0.00 O ATOM 1067 CB GLU A 69 11.039 -4.702 5.050 1.00 0.00 C ATOM 1068 CG GLU A 69 10.576 -4.952 6.475 1.00 0.00 C ATOM 1069 CD GLU A 69 10.343 -6.422 6.764 1.00 0.00 C ATOM 1070 OE1 GLU A 69 11.020 -7.264 6.138 1.00 0.00 O ATOM 1071 OE2 GLU A 69 9.483 -6.730 7.615 1.00 0.00 O ATOM 0 H GLU A 69 9.031 -3.973 3.797 1.00 0.00 H new ATOM 0 HA GLU A 69 10.899 -2.595 5.448 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.499 -5.370 4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.096 -4.957 4.970 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.321 -4.563 7.169 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.654 -4.400 6.655 1.00 0.00 H new ATOM 1078 N GLY A 70 12.530 -1.702 3.808 1.00 0.00 N ATOM 1079 CA GLY A 70 13.587 -1.237 2.929 1.00 0.00 C ATOM 1080 C GLY A 70 13.055 -0.452 1.747 1.00 0.00 C ATOM 1081 O GLY A 70 12.910 -0.991 0.650 1.00 0.00 O ATOM 0 H GLY A 70 12.298 -1.067 4.572 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.277 -0.612 3.495 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.156 -2.093 2.566 1.00 0.00 H new ATOM 1085 N ALA A 71 12.761 0.824 1.970 1.00 0.00 N ATOM 1086 CA ALA A 71 12.241 1.685 0.915 1.00 0.00 C ATOM 1087 C ALA A 71 13.375 2.312 0.110 1.00 0.00 C ATOM 1088 O ALA A 71 13.887 3.375 0.462 1.00 0.00 O ATOM 1089 CB ALA A 71 11.350 2.767 1.506 1.00 0.00 C ATOM 0 H ALA A 71 12.874 1.285 2.873 1.00 0.00 H new ATOM 0 HA ALA A 71 11.646 1.070 0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.969 3.402 0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 71 10.514 2.304 2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.927 3.372 2.206 1.00 0.00 H new ATOM 1095 N THR A 72 13.764 1.646 -0.973 1.00 0.00 N ATOM 1096 CA THR A 72 14.839 2.137 -1.827 1.00 0.00 C ATOM 1097 C THR A 72 14.307 3.106 -2.876 1.00 0.00 C ATOM 1098 O THR A 72 13.098 3.217 -3.079 1.00 0.00 O ATOM 1099 CB THR A 72 15.567 0.979 -2.535 1.00 0.00 C ATOM 1100 OG1 THR A 72 15.520 -0.200 -1.723 1.00 0.00 O ATOM 1101 CG2 THR A 72 17.015 1.345 -2.823 1.00 0.00 C ATOM 0 H THR A 72 13.351 0.765 -1.279 1.00 0.00 H new ATOM 0 HA THR A 72 15.545 2.658 -1.180 1.00 0.00 H new ATOM 0 HB THR A 72 15.062 0.787 -3.482 1.00 0.00 H new ATOM 0 HG1 THR A 72 15.984 -0.932 -2.181 1.00 0.00 H new ATOM 0 HG21 THR A 72 17.508 0.512 -3.323 1.00 0.00 H new ATOM 0 HG22 THR A 72 17.047 2.225 -3.466 1.00 0.00 H new ATOM 0 HG23 THR A 72 17.529 1.562 -1.886 1.00 0.00 H new ATOM 1109 N LYS A 73 15.219 3.807 -3.543 1.00 0.00 N ATOM 1110 CA LYS A 73 14.843 4.766 -4.574 1.00 0.00 C ATOM 1111 C LYS A 73 13.903 4.130 -5.593 1.00 0.00 C ATOM 1112 O LYS A 73 13.079 4.811 -6.202 1.00 0.00 O ATOM 1113 CB LYS A 73 16.090 5.302 -5.280 1.00 0.00 C ATOM 1114 CG LYS A 73 17.091 5.950 -4.339 1.00 0.00 C ATOM 1115 CD LYS A 73 16.586 7.288 -3.824 1.00 0.00 C ATOM 1116 CE LYS A 73 16.960 8.424 -4.764 1.00 0.00 C ATOM 1117 NZ LYS A 73 18.436 8.570 -4.898 1.00 0.00 N ATOM 0 H LYS A 73 16.224 3.728 -3.387 1.00 0.00 H new ATOM 0 HA LYS A 73 14.322 5.593 -4.092 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.578 4.483 -5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.787 6.031 -6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 73 17.284 5.285 -3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 73 18.039 6.093 -4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.503 7.250 -3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.004 7.480 -2.836 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.522 8.242 -5.746 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.535 9.357 -4.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.688 9.579 -4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.906 8.083 -4.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.746 8.150 -5.798 1.00 0.00 H new ATOM 1131 N ALA A 74 14.032 2.819 -5.772 1.00 0.00 N ATOM 1132 CA ALA A 74 13.192 2.091 -6.715 1.00 0.00 C ATOM 1133 C ALA A 74 11.769 1.948 -6.185 1.00 0.00 C ATOM 1134 O ALA A 74 10.803 2.013 -6.946 1.00 0.00 O ATOM 1135 CB ALA A 74 13.789 0.722 -7.005 1.00 0.00 C ATOM 0 H ALA A 74 14.710 2.240 -5.276 1.00 0.00 H new ATOM 0 HA ALA A 74 13.151 2.661 -7.643 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.152 0.189 -7.711 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.784 0.842 -7.434 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.860 0.152 -6.078 1.00 0.00 H new ATOM 1141 N ASP A 75 11.647 1.752 -4.877 1.00 0.00 N ATOM 1142 CA ASP A 75 10.341 1.600 -4.245 1.00 0.00 C ATOM 1143 C ASP A 75 9.440 2.789 -4.566 1.00 0.00 C ATOM 1144 O ASP A 75 8.237 2.631 -4.770 1.00 0.00 O ATOM 1145 CB ASP A 75 10.497 1.457 -2.730 1.00 0.00 C ATOM 1146 CG ASP A 75 11.419 0.316 -2.348 1.00 0.00 C ATOM 1147 OD1 ASP A 75 12.495 0.189 -2.969 1.00 0.00 O ATOM 1148 OD2 ASP A 75 11.064 -0.450 -1.428 1.00 0.00 O ATOM 0 H ASP A 75 12.436 1.695 -4.233 1.00 0.00 H new ATOM 0 HA ASP A 75 9.876 0.697 -4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.886 2.388 -2.318 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.517 1.295 -2.281 1.00 0.00 H new ATOM 1153 N ALA A 76 10.032 3.978 -4.608 1.00 0.00 N ATOM 1154 CA ALA A 76 9.283 5.193 -4.905 1.00 0.00 C ATOM 1155 C ALA A 76 8.393 5.004 -6.129 1.00 0.00 C ATOM 1156 O ALA A 76 8.833 5.188 -7.263 1.00 0.00 O ATOM 1157 CB ALA A 76 10.235 6.361 -5.118 1.00 0.00 C ATOM 0 H ALA A 76 11.027 4.126 -4.440 1.00 0.00 H new ATOM 0 HA ALA A 76 8.641 5.412 -4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.662 7.262 -5.339 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.825 6.519 -4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.900 6.140 -5.953 1.00 0.00 H new ATOM 1163 N ALA A 77 7.138 4.636 -5.891 1.00 0.00 N ATOM 1164 CA ALA A 77 6.186 4.423 -6.974 1.00 0.00 C ATOM 1165 C ALA A 77 4.764 4.737 -6.523 1.00 0.00 C ATOM 1166 O ALA A 77 4.506 4.921 -5.334 1.00 0.00 O ATOM 1167 CB ALA A 77 6.277 2.992 -7.483 1.00 0.00 C ATOM 0 H ALA A 77 6.757 4.479 -4.958 1.00 0.00 H new ATOM 0 HA ALA A 77 6.440 5.103 -7.788 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.560 2.847 -8.292 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.284 2.801 -7.852 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.051 2.302 -6.670 1.00 0.00 H new ATOM 1173 N GLU A 78 3.844 4.796 -7.481 1.00 0.00 N ATOM 1174 CA GLU A 78 2.447 5.090 -7.181 1.00 0.00 C ATOM 1175 C GLU A 78 1.745 3.863 -6.604 1.00 0.00 C ATOM 1176 O GLU A 78 1.409 2.928 -7.331 1.00 0.00 O ATOM 1177 CB GLU A 78 1.720 5.561 -8.442 1.00 0.00 C ATOM 1178 CG GLU A 78 0.238 5.819 -8.229 1.00 0.00 C ATOM 1179 CD GLU A 78 -0.437 6.393 -9.460 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -0.281 5.804 -10.550 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -1.121 7.430 -9.333 1.00 0.00 O ATOM 0 H GLU A 78 4.040 4.644 -8.470 1.00 0.00 H new ATOM 0 HA GLU A 78 2.421 5.886 -6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.191 6.475 -8.803 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.841 4.810 -9.223 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.253 4.886 -7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.109 6.508 -7.394 1.00 0.00 H new ATOM 1188 N TYR A 79 1.529 3.875 -5.294 1.00 0.00 N ATOM 1189 CA TYR A 79 0.871 2.764 -4.618 1.00 0.00 C ATOM 1190 C TYR A 79 -0.642 2.959 -4.596 1.00 0.00 C ATOM 1191 O TYR A 79 -1.155 3.852 -3.922 1.00 0.00 O ATOM 1192 CB TYR A 79 1.399 2.623 -3.189 1.00 0.00 C ATOM 1193 CG TYR A 79 2.829 2.138 -3.117 1.00 0.00 C ATOM 1194 CD1 TYR A 79 3.126 0.782 -3.169 1.00 0.00 C ATOM 1195 CD2 TYR A 79 3.883 3.035 -2.997 1.00 0.00 C ATOM 1196 CE1 TYR A 79 4.431 0.333 -3.103 1.00 0.00 C ATOM 1197 CE2 TYR A 79 5.191 2.596 -2.932 1.00 0.00 C ATOM 1198 CZ TYR A 79 5.460 1.244 -2.984 1.00 0.00 C ATOM 1199 OH TYR A 79 6.761 0.802 -2.919 1.00 0.00 O ATOM 0 H TYR A 79 1.800 4.642 -4.679 1.00 0.00 H new ATOM 0 HA TYR A 79 1.094 1.852 -5.172 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.326 3.588 -2.687 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.761 1.929 -2.642 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.323 0.066 -3.263 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.676 4.094 -2.954 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.644 -0.725 -3.144 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.999 3.307 -2.841 1.00 0.00 H new ATOM 0 HH TYR A 79 7.326 1.362 -3.492 1.00 0.00 H new ATOM 1209 N SER A 80 -1.352 2.115 -5.338 1.00 0.00 N ATOM 1210 CA SER A 80 -2.806 2.195 -5.408 1.00 0.00 C ATOM 1211 C SER A 80 -3.445 0.899 -4.917 1.00 0.00 C ATOM 1212 O SER A 80 -3.016 -0.195 -5.282 1.00 0.00 O ATOM 1213 CB SER A 80 -3.254 2.487 -6.841 1.00 0.00 C ATOM 1214 OG SER A 80 -2.861 3.788 -7.243 1.00 0.00 O ATOM 0 H SER A 80 -0.943 1.368 -5.899 1.00 0.00 H new ATOM 0 HA SER A 80 -3.132 3.009 -4.761 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.824 1.748 -7.517 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.337 2.392 -6.913 1.00 0.00 H new ATOM 0 HG SER A 80 -3.013 3.893 -8.205 1.00 0.00 H new ATOM 1220 N VAL A 81 -4.475 1.032 -4.087 1.00 0.00 N ATOM 1221 CA VAL A 81 -5.176 -0.126 -3.546 1.00 0.00 C ATOM 1222 C VAL A 81 -6.469 -0.392 -4.308 1.00 0.00 C ATOM 1223 O VAL A 81 -6.970 0.477 -5.021 1.00 0.00 O ATOM 1224 CB VAL A 81 -5.502 0.062 -2.052 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -4.347 0.743 -1.335 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -6.788 0.857 -1.885 1.00 0.00 C ATOM 0 H VAL A 81 -4.842 1.931 -3.775 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.509 -0.981 -3.660 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.648 -0.920 -1.602 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.596 0.867 -0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.450 0.130 -1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.166 1.720 -1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.004 0.981 -0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.673 1.837 -2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.610 0.324 -2.363 1.00 0.00 H new ATOM 1236 N MET A 82 -7.005 -1.598 -4.152 1.00 0.00 N ATOM 1237 CA MET A 82 -8.242 -1.977 -4.825 1.00 0.00 C ATOM 1238 C MET A 82 -9.062 -2.928 -3.958 1.00 0.00 C ATOM 1239 O MET A 82 -8.723 -4.103 -3.815 1.00 0.00 O ATOM 1240 CB MET A 82 -7.934 -2.633 -6.172 1.00 0.00 C ATOM 1241 CG MET A 82 -9.017 -2.414 -7.216 1.00 0.00 C ATOM 1242 SD MET A 82 -8.822 -3.483 -8.655 1.00 0.00 S ATOM 1243 CE MET A 82 -8.863 -5.099 -7.883 1.00 0.00 C ATOM 0 H MET A 82 -6.602 -2.329 -3.566 1.00 0.00 H new ATOM 0 HA MET A 82 -8.827 -1.073 -4.995 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.991 -2.240 -6.551 1.00 0.00 H new ATOM 0 HB3 MET A 82 -7.796 -3.704 -6.022 1.00 0.00 H new ATOM 0 HG2 MET A 82 -9.993 -2.594 -6.765 1.00 0.00 H new ATOM 0 HG3 MET A 82 -9.001 -1.373 -7.537 1.00 0.00 H new ATOM 0 HE1 MET A 82 -9.407 -5.794 -8.523 1.00 0.00 H new ATOM 0 HE2 MET A 82 -7.844 -5.459 -7.739 1.00 0.00 H new ATOM 0 HE3 MET A 82 -9.363 -5.028 -6.917 1.00 0.00 H new ATOM 1253 N THR A 83 -10.143 -2.412 -3.382 1.00 0.00 N ATOM 1254 CA THR A 83 -11.010 -3.215 -2.529 1.00 0.00 C ATOM 1255 C THR A 83 -12.147 -3.838 -3.331 1.00 0.00 C ATOM 1256 O THR A 83 -12.239 -3.652 -4.545 1.00 0.00 O ATOM 1257 CB THR A 83 -11.606 -2.374 -1.384 1.00 0.00 C ATOM 1258 OG1 THR A 83 -12.390 -1.302 -1.919 1.00 0.00 O ATOM 1259 CG2 THR A 83 -10.506 -1.811 -0.497 1.00 0.00 C ATOM 0 H THR A 83 -10.439 -1.442 -3.491 1.00 0.00 H new ATOM 0 HA THR A 83 -10.392 -4.006 -2.106 1.00 0.00 H new ATOM 0 HB THR A 83 -12.242 -3.022 -0.781 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.322 -1.404 -1.634 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.951 -1.221 0.304 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.930 -2.631 -0.067 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.848 -1.178 -1.092 1.00 0.00 H new ATOM 1267 N THR A 84 -13.013 -4.578 -2.646 1.00 0.00 N ATOM 1268 CA THR A 84 -14.144 -5.229 -3.295 1.00 0.00 C ATOM 1269 C THR A 84 -14.901 -4.253 -4.188 1.00 0.00 C ATOM 1270 O THR A 84 -15.450 -4.638 -5.220 1.00 0.00 O ATOM 1271 CB THR A 84 -15.119 -5.824 -2.261 1.00 0.00 C ATOM 1272 OG1 THR A 84 -15.730 -4.774 -1.503 1.00 0.00 O ATOM 1273 CG2 THR A 84 -14.396 -6.779 -1.323 1.00 0.00 C ATOM 0 H THR A 84 -12.953 -4.741 -1.641 1.00 0.00 H new ATOM 0 HA THR A 84 -13.737 -6.035 -3.905 1.00 0.00 H new ATOM 0 HB THR A 84 -15.889 -6.379 -2.797 1.00 0.00 H new ATOM 0 HG1 THR A 84 -16.673 -4.990 -1.346 1.00 0.00 H new ATOM 0 HG21 THR A 84 -15.104 -7.187 -0.602 1.00 0.00 H new ATOM 0 HG22 THR A 84 -13.957 -7.593 -1.900 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.608 -6.243 -0.794 1.00 0.00 H new ATOM 1281 N GLY A 85 -14.928 -2.986 -3.784 1.00 0.00 N ATOM 1282 CA GLY A 85 -15.621 -1.975 -4.560 1.00 0.00 C ATOM 1283 C GLY A 85 -15.028 -0.592 -4.371 1.00 0.00 C ATOM 1284 O GLY A 85 -15.734 0.411 -4.462 1.00 0.00 O ATOM 0 H GLY A 85 -14.482 -2.642 -2.933 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.583 -2.242 -5.616 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.672 -1.959 -4.273 1.00 0.00 H new ATOM 1288 N GLY A 86 -13.726 -0.539 -4.106 1.00 0.00 N ATOM 1289 CA GLY A 86 -13.061 0.735 -3.906 1.00 0.00 C ATOM 1290 C GLY A 86 -11.659 0.754 -4.481 1.00 0.00 C ATOM 1291 O GLY A 86 -11.073 -0.297 -4.739 1.00 0.00 O ATOM 0 H GLY A 86 -13.120 -1.356 -4.026 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.651 1.526 -4.369 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.016 0.954 -2.839 1.00 0.00 H new ATOM 1295 N GLN A 87 -11.120 1.952 -4.684 1.00 0.00 N ATOM 1296 CA GLN A 87 -9.779 2.103 -5.235 1.00 0.00 C ATOM 1297 C GLN A 87 -9.161 3.430 -4.809 1.00 0.00 C ATOM 1298 O GLN A 87 -9.851 4.445 -4.712 1.00 0.00 O ATOM 1299 CB GLN A 87 -9.818 2.012 -6.762 1.00 0.00 C ATOM 1300 CG GLN A 87 -10.565 3.161 -7.420 1.00 0.00 C ATOM 1301 CD GLN A 87 -10.691 2.992 -8.921 1.00 0.00 C ATOM 1302 OE1 GLN A 87 -10.774 1.871 -9.426 1.00 0.00 O ATOM 1303 NE2 GLN A 87 -10.707 4.105 -9.644 1.00 0.00 N ATOM 0 H GLN A 87 -11.592 2.832 -4.475 1.00 0.00 H new ATOM 0 HA GLN A 87 -9.161 1.294 -4.846 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -8.797 1.988 -7.143 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.288 1.072 -7.050 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -11.560 3.240 -6.982 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -10.047 4.096 -7.206 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -10.636 5.013 -9.184 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -10.791 4.053 -10.659 1.00 0.00 H new ATOM 1312 N SER A 88 -7.856 3.415 -4.553 1.00 0.00 N ATOM 1313 CA SER A 88 -7.146 4.617 -4.133 1.00 0.00 C ATOM 1314 C SER A 88 -5.733 4.642 -4.708 1.00 0.00 C ATOM 1315 O SER A 88 -5.206 3.615 -5.135 1.00 0.00 O ATOM 1316 CB SER A 88 -7.088 4.692 -2.606 1.00 0.00 C ATOM 1317 OG SER A 88 -6.624 5.960 -2.175 1.00 0.00 O ATOM 0 H SER A 88 -7.270 2.584 -4.629 1.00 0.00 H new ATOM 0 HA SER A 88 -7.690 5.482 -4.513 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.078 4.504 -2.192 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.429 3.911 -2.225 1.00 0.00 H new ATOM 0 HG SER A 88 -7.014 6.660 -2.739 1.00 0.00 H new ATOM 1323 N SER A 89 -5.126 5.825 -4.717 1.00 0.00 N ATOM 1324 CA SER A 89 -3.776 5.987 -5.243 1.00 0.00 C ATOM 1325 C SER A 89 -2.991 7.006 -4.423 1.00 0.00 C ATOM 1326 O SER A 89 -3.536 8.020 -3.987 1.00 0.00 O ATOM 1327 CB SER A 89 -3.826 6.424 -6.708 1.00 0.00 C ATOM 1328 OG SER A 89 -4.636 7.575 -6.869 1.00 0.00 O ATOM 0 H SER A 89 -5.548 6.685 -4.366 1.00 0.00 H new ATOM 0 HA SER A 89 -3.269 5.025 -5.175 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.817 6.633 -7.063 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.217 5.611 -7.320 1.00 0.00 H new ATOM 0 HG SER A 89 -4.650 7.835 -7.814 1.00 0.00 H new ATOM 1334 N ALA A 90 -1.708 6.729 -4.216 1.00 0.00 N ATOM 1335 CA ALA A 90 -0.847 7.621 -3.450 1.00 0.00 C ATOM 1336 C ALA A 90 0.514 7.779 -4.119 1.00 0.00 C ATOM 1337 O ALA A 90 0.846 7.050 -5.054 1.00 0.00 O ATOM 1338 CB ALA A 90 -0.682 7.104 -2.029 1.00 0.00 C ATOM 0 H ALA A 90 -1.242 5.893 -4.569 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.321 8.602 -3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.036 7.780 -1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.658 7.050 -1.546 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.234 6.111 -2.053 1.00 0.00 H new ATOM 1344 N LYS A 91 1.299 8.736 -3.635 1.00 0.00 N ATOM 1345 CA LYS A 91 2.625 8.990 -4.185 1.00 0.00 C ATOM 1346 C LYS A 91 3.693 8.882 -3.102 1.00 0.00 C ATOM 1347 O LYS A 91 3.638 9.582 -2.090 1.00 0.00 O ATOM 1348 CB LYS A 91 2.675 10.377 -4.830 1.00 0.00 C ATOM 1349 CG LYS A 91 2.010 10.438 -6.194 1.00 0.00 C ATOM 1350 CD LYS A 91 2.597 11.548 -7.051 1.00 0.00 C ATOM 1351 CE LYS A 91 2.451 11.243 -8.534 1.00 0.00 C ATOM 1352 NZ LYS A 91 3.475 11.953 -9.350 1.00 0.00 N ATOM 0 H LYS A 91 1.039 9.349 -2.862 1.00 0.00 H new ATOM 0 HA LYS A 91 2.826 8.235 -4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.191 11.094 -4.167 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.716 10.685 -4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.132 9.481 -6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.939 10.600 -6.071 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.098 12.489 -6.821 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.651 11.678 -6.807 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.540 10.169 -8.694 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.455 11.534 -8.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.342 11.719 -10.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.374 12.980 -9.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.425 11.657 -9.049 1.00 0.00 H new ATOM 1366 N LEU A 92 4.665 8.003 -3.321 1.00 0.00 N ATOM 1367 CA LEU A 92 5.748 7.805 -2.364 1.00 0.00 C ATOM 1368 C LEU A 92 7.053 8.396 -2.887 1.00 0.00 C ATOM 1369 O LEU A 92 7.430 8.172 -4.037 1.00 0.00 O ATOM 1370 CB LEU A 92 5.931 6.315 -2.072 1.00 0.00 C ATOM 1371 CG LEU A 92 6.891 5.966 -0.934 1.00 0.00 C ATOM 1372 CD1 LEU A 92 6.230 6.204 0.414 1.00 0.00 C ATOM 1373 CD2 LEU A 92 7.359 4.523 -1.054 1.00 0.00 C ATOM 0 H LEU A 92 4.725 7.416 -4.153 1.00 0.00 H new ATOM 0 HA LEU A 92 5.482 8.320 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.955 5.888 -1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.285 5.828 -2.981 1.00 0.00 H new ATOM 0 HG LEU A 92 7.763 6.616 -1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.928 5.950 1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.947 7.253 0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.340 5.580 0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.041 4.293 -0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.498 3.856 -1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.873 4.385 -2.005 1.00 0.00 H new ATOM 1385 N SER A 93 7.738 9.152 -2.035 1.00 0.00 N ATOM 1386 CA SER A 93 9.000 9.777 -2.412 1.00 0.00 C ATOM 1387 C SER A 93 10.137 9.287 -1.520 1.00 0.00 C ATOM 1388 O SER A 93 10.035 9.317 -0.293 1.00 0.00 O ATOM 1389 CB SER A 93 8.886 11.300 -2.323 1.00 0.00 C ATOM 1390 OG SER A 93 8.430 11.849 -3.547 1.00 0.00 O ATOM 0 H SER A 93 7.440 9.346 -1.079 1.00 0.00 H new ATOM 0 HA SER A 93 9.223 9.496 -3.441 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.199 11.570 -1.521 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.856 11.726 -2.069 1.00 0.00 H new ATOM 0 HG SER A 93 8.364 12.823 -3.464 1.00 0.00 H new ATOM 1396 N VAL A 94 11.220 8.837 -2.145 1.00 0.00 N ATOM 1397 CA VAL A 94 12.377 8.342 -1.409 1.00 0.00 C ATOM 1398 C VAL A 94 13.585 9.252 -1.607 1.00 0.00 C ATOM 1399 O VAL A 94 13.964 9.561 -2.737 1.00 0.00 O ATOM 1400 CB VAL A 94 12.749 6.912 -1.844 1.00 0.00 C ATOM 1401 CG1 VAL A 94 13.938 6.403 -1.044 1.00 0.00 C ATOM 1402 CG2 VAL A 94 11.555 5.982 -1.691 1.00 0.00 C ATOM 0 H VAL A 94 11.320 8.805 -3.160 1.00 0.00 H new ATOM 0 HA VAL A 94 12.101 8.333 -0.355 1.00 0.00 H new ATOM 0 HB VAL A 94 13.032 6.932 -2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 94 14.186 5.391 -1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 94 14.794 7.057 -1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 94 13.687 6.396 0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.835 4.976 -2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.239 5.964 -0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.734 6.339 -2.313 1.00 0.00 H new ATOM 1412 N ASP A 95 14.185 9.677 -0.501 1.00 0.00 N ATOM 1413 CA ASP A 95 15.352 10.551 -0.552 1.00 0.00 C ATOM 1414 C ASP A 95 16.539 9.915 0.166 1.00 0.00 C ATOM 1415 O ASP A 95 16.369 9.025 1.000 1.00 0.00 O ATOM 1416 CB ASP A 95 15.028 11.907 0.075 1.00 0.00 C ATOM 1417 CG ASP A 95 15.820 13.039 -0.551 1.00 0.00 C ATOM 1418 OD1 ASP A 95 15.589 13.336 -1.742 1.00 0.00 O ATOM 1419 OD2 ASP A 95 16.671 13.625 0.149 1.00 0.00 O ATOM 0 H ASP A 95 13.883 9.431 0.442 1.00 0.00 H new ATOM 0 HA ASP A 95 15.620 10.698 -1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.963 12.109 -0.034 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.237 11.869 1.144 1.00 0.00 H new ATOM 1424 N LEU A 96 17.740 10.377 -0.165 1.00 0.00 N ATOM 1425 CA LEU A 96 18.956 9.853 0.448 1.00 0.00 C ATOM 1426 C LEU A 96 19.326 10.652 1.693 1.00 0.00 C ATOM 1427 O LEU A 96 19.827 11.773 1.600 1.00 0.00 O ATOM 1428 CB LEU A 96 20.110 9.886 -0.555 1.00 0.00 C ATOM 1429 CG LEU A 96 20.141 8.753 -1.581 1.00 0.00 C ATOM 1430 CD1 LEU A 96 21.159 9.048 -2.672 1.00 0.00 C ATOM 1431 CD2 LEU A 96 20.453 7.427 -0.902 1.00 0.00 C ATOM 0 H LEU A 96 17.898 11.113 -0.854 1.00 0.00 H new ATOM 0 HA LEU A 96 18.769 8.821 0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 96 20.071 10.834 -1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 96 21.048 9.872 0.000 1.00 0.00 H new ATOM 0 HG LEU A 96 19.156 8.679 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 96 21.167 8.231 -3.393 1.00 0.00 H new ATOM 0 HD12 LEU A 96 20.892 9.976 -3.178 1.00 0.00 H new ATOM 0 HD13 LEU A 96 22.149 9.150 -2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 96 20.471 6.632 -1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 96 21.425 7.488 -0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 96 19.686 7.210 -0.158 1.00 0.00 H new ATOM 1443 N LYS A 97 19.077 10.067 2.860 1.00 0.00 N ATOM 1444 CA LYS A 97 19.386 10.722 4.126 1.00 0.00 C ATOM 1445 C LYS A 97 20.868 11.073 4.209 1.00 0.00 C ATOM 1446 O LYS A 97 21.727 10.272 3.841 1.00 0.00 O ATOM 1447 CB LYS A 97 18.999 9.818 5.299 1.00 0.00 C ATOM 1448 CG LYS A 97 19.256 10.444 6.659 1.00 0.00 C ATOM 1449 CD LYS A 97 18.044 11.213 7.157 1.00 0.00 C ATOM 1450 CE LYS A 97 18.106 12.677 6.747 1.00 0.00 C ATOM 1451 NZ LYS A 97 18.790 13.511 7.774 1.00 0.00 N ATOM 0 H LYS A 97 18.662 9.140 2.955 1.00 0.00 H new ATOM 0 HA LYS A 97 18.808 11.645 4.180 1.00 0.00 H new ATOM 0 HB2 LYS A 97 17.942 9.565 5.219 1.00 0.00 H new ATOM 0 HB3 LYS A 97 19.557 8.884 5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 97 19.514 9.665 7.376 1.00 0.00 H new ATOM 0 HG3 LYS A 97 20.113 11.115 6.596 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.136 10.761 6.759 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.987 11.140 8.243 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.633 12.766 5.797 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.095 13.053 6.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.812 14.502 7.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.273 13.446 8.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.763 13.168 7.908 1.00 0.00 H new ATOM 1465 N SER A 98 21.161 12.275 4.695 1.00 0.00 N ATOM 1466 CA SER A 98 22.539 12.733 4.824 1.00 0.00 C ATOM 1467 C SER A 98 22.604 14.057 5.579 1.00 0.00 C ATOM 1468 O SER A 98 21.728 14.909 5.437 1.00 0.00 O ATOM 1469 CB SER A 98 23.178 12.889 3.443 1.00 0.00 C ATOM 1470 OG SER A 98 24.534 13.286 3.550 1.00 0.00 O ATOM 0 H SER A 98 20.462 12.949 5.006 1.00 0.00 H new ATOM 0 HA SER A 98 23.093 11.984 5.391 1.00 0.00 H new ATOM 0 HB2 SER A 98 23.114 11.946 2.901 1.00 0.00 H new ATOM 0 HB3 SER A 98 22.624 13.628 2.864 1.00 0.00 H new ATOM 0 HG SER A 98 24.920 13.377 2.654 1.00 0.00 H new ATOM 1476 N GLY A 99 23.649 14.222 6.384 1.00 0.00 N ATOM 1477 CA GLY A 99 23.810 15.443 7.151 1.00 0.00 C ATOM 1478 C GLY A 99 24.864 16.361 6.565 1.00 0.00 C ATOM 1479 O GLY A 99 25.126 16.352 5.362 1.00 0.00 O ATOM 0 H GLY A 99 24.387 13.531 6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 99 22.857 15.970 7.194 1.00 0.00 H new ATOM 0 HA3 GLY A 99 24.081 15.191 8.176 1.00 0.00 H new ATOM 1483 N PRO A 100 25.488 17.178 7.426 1.00 0.00 N ATOM 1484 CA PRO A 100 26.529 18.122 7.009 1.00 0.00 C ATOM 1485 C PRO A 100 27.816 17.419 6.592 1.00 0.00 C ATOM 1486 O PRO A 100 28.718 17.220 7.406 1.00 0.00 O ATOM 1487 CB PRO A 100 26.764 18.968 8.264 1.00 0.00 C ATOM 1488 CG PRO A 100 26.354 18.089 9.395 1.00 0.00 C ATOM 1489 CD PRO A 100 25.226 17.243 8.874 1.00 0.00 C ATOM 0 HA PRO A 100 26.227 18.702 6.137 1.00 0.00 H new ATOM 0 HB2 PRO A 100 27.809 19.264 8.352 1.00 0.00 H new ATOM 0 HB3 PRO A 100 26.174 19.884 8.240 1.00 0.00 H new ATOM 0 HG2 PRO A 100 27.186 17.468 9.728 1.00 0.00 H new ATOM 0 HG3 PRO A 100 26.034 18.681 10.253 1.00 0.00 H new ATOM 0 HD2 PRO A 100 25.225 16.252 9.327 1.00 0.00 H new ATOM 0 HD3 PRO A 100 24.256 17.692 9.087 1.00 0.00 H new ATOM 1497 N SER A 101 27.895 17.046 5.319 1.00 0.00 N ATOM 1498 CA SER A 101 29.071 16.362 4.794 1.00 0.00 C ATOM 1499 C SER A 101 29.298 15.038 5.518 1.00 0.00 C ATOM 1500 O SER A 101 30.435 14.655 5.794 1.00 0.00 O ATOM 1501 CB SER A 101 30.308 17.251 4.933 1.00 0.00 C ATOM 1502 OG SER A 101 31.245 16.984 3.904 1.00 0.00 O ATOM 0 H SER A 101 27.158 17.206 4.632 1.00 0.00 H new ATOM 0 HA SER A 101 28.899 16.154 3.738 1.00 0.00 H new ATOM 0 HB2 SER A 101 30.012 18.300 4.897 1.00 0.00 H new ATOM 0 HB3 SER A 101 30.773 17.084 5.905 1.00 0.00 H new ATOM 0 HG SER A 101 32.026 17.566 4.014 1.00 0.00 H new ATOM 1508 N SER A 102 28.206 14.344 5.825 1.00 0.00 N ATOM 1509 CA SER A 102 28.284 13.065 6.521 1.00 0.00 C ATOM 1510 C SER A 102 28.294 11.906 5.528 1.00 0.00 C ATOM 1511 O SER A 102 29.118 10.998 5.626 1.00 0.00 O ATOM 1512 CB SER A 102 27.108 12.913 7.487 1.00 0.00 C ATOM 1513 OG SER A 102 27.434 12.040 8.555 1.00 0.00 O ATOM 0 H SER A 102 27.257 14.646 5.603 1.00 0.00 H new ATOM 0 HA SER A 102 29.215 13.044 7.087 1.00 0.00 H new ATOM 0 HB2 SER A 102 26.831 13.890 7.883 1.00 0.00 H new ATOM 0 HB3 SER A 102 26.240 12.528 6.951 1.00 0.00 H new ATOM 0 HG SER A 102 26.666 11.961 9.159 1.00 0.00 H new ATOM 1519 N GLY A 103 27.371 11.946 4.572 1.00 0.00 N ATOM 1520 CA GLY A 103 27.290 10.894 3.575 1.00 0.00 C ATOM 1521 C GLY A 103 27.291 11.436 2.160 1.00 0.00 C ATOM 1522 O GLY A 103 28.129 11.055 1.342 1.00 0.00 O ATOM 0 H GLY A 103 26.678 12.688 4.470 1.00 0.00 H new ATOM 0 HA2 GLY A 103 28.132 10.213 3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 103 26.382 10.313 3.738 1.00 0.00 H new TER 1526 GLY A 103