USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 629 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 26 TYR OH : rot 19:sc= 0.403 USER MOD Set 1.2: A 49 SER OG : rot 73:sc= 1.58 USER MOD Set 2.1: A 14 SER OG : rot -124:sc= 1.25 USER MOD Set 2.2: A 16 SER OG : rot 180:sc= 0.989 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.24! USER MOD Single : A 3 LYS NZ :NH3+ 173:sc= 1.08 (180deg=1.04) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -9:sc= 1.06 USER MOD Single : A 18 ASN : amide:sc= -0.588! C(o=-0.59!,f=-11!) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -178:sc= 1.19 (180deg=1.13) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0.459 K(o=0.46,f=-7.7!) USER MOD Single : A 37 LYS NZ :NH3+ 160:sc= 0.945 (180deg=0.668) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.166 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 174:sc= 1.27 (180deg=1.14) USER MOD Single : A 46 LYS NZ :NH3+ 177:sc= 1.15 (180deg=1.14) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.11) USER MOD Single : A 60 LYS NZ :NH3+ -146:sc= -0.0089 (180deg=-0.0673) USER MOD Single : A 64 TYR OH : rot -26:sc= 0.0521 USER MOD Single : A 66 GLN : amide:sc= 0.58 K(o=0.58,f=-0.37) USER MOD Single : A 67 TYR OH : rot 180:sc= 0.919 USER MOD Single : A 74 SER OG : rot 128:sc= 1.25 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -2.075 -16.303 -5.342 1.00 0.00 N ATOM 2 CA SER A 1 -2.332 -15.154 -4.482 1.00 0.00 C ATOM 3 C SER A 1 -3.106 -14.072 -5.223 1.00 0.00 C ATOM 4 O SER A 1 -4.335 -14.107 -5.284 1.00 0.00 O ATOM 5 CB SER A 1 -1.025 -14.588 -3.965 1.00 0.00 C ATOM 6 OG SER A 1 -0.245 -14.084 -5.015 1.00 0.00 O ATOM 0 H1 SER A 1 -1.546 -17.023 -4.810 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.979 -16.704 -5.664 1.00 0.00 H new ATOM 0 H3 SER A 1 -1.516 -16.002 -6.166 1.00 0.00 H new ATOM 0 HA SER A 1 -2.938 -15.492 -3.642 1.00 0.00 H new ATOM 0 HB2 SER A 1 -1.228 -13.795 -3.245 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.472 -15.365 -3.437 1.00 0.00 H new ATOM 0 HG SER A 1 0.592 -13.723 -4.656 1.00 0.00 H new ATOM 11 N VAL A 2 -2.381 -13.112 -5.786 1.00 0.00 N ATOM 12 CA VAL A 2 -3.001 -11.998 -6.492 1.00 0.00 C ATOM 13 C VAL A 2 -2.419 -11.841 -7.892 1.00 0.00 C ATOM 14 O VAL A 2 -1.345 -12.363 -8.190 1.00 0.00 O ATOM 15 CB VAL A 2 -2.799 -10.689 -5.706 1.00 0.00 C ATOM 16 CG1 VAL A 2 -3.468 -10.777 -4.343 1.00 0.00 C ATOM 17 CG2 VAL A 2 -1.314 -10.395 -5.562 1.00 0.00 C ATOM 0 H VAL A 2 -1.362 -13.083 -5.767 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.066 -12.212 -6.579 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.263 -9.871 -6.256 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.315 -9.843 -3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.536 -10.950 -4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.033 -11.600 -3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.179 -9.468 -5.005 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.831 -11.213 -5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.866 -10.293 -6.550 1.00 0.00 H new ATOM 27 N LYS A 3 -3.136 -11.118 -8.747 1.00 0.00 N ATOM 28 CA LYS A 3 -2.677 -10.865 -10.108 1.00 0.00 C ATOM 29 C LYS A 3 -1.470 -9.936 -10.116 1.00 0.00 C ATOM 30 O LYS A 3 -0.398 -10.301 -10.599 1.00 0.00 O ATOM 31 CB LYS A 3 -3.805 -10.269 -10.951 1.00 0.00 C ATOM 32 CG LYS A 3 -3.422 -9.974 -12.395 1.00 0.00 C ATOM 33 CD LYS A 3 -4.609 -9.442 -13.184 1.00 0.00 C ATOM 34 CE LYS A 3 -4.202 -9.038 -14.593 1.00 0.00 C ATOM 35 NZ LYS A 3 -5.349 -8.491 -15.368 1.00 0.00 N ATOM 0 H LYS A 3 -4.037 -10.697 -8.521 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.377 -11.818 -10.543 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.650 -10.958 -10.945 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.144 -9.345 -10.482 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.612 -9.245 -12.417 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.047 -10.882 -12.867 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.387 -10.204 -13.233 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.036 -8.583 -12.667 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.410 -8.291 -14.542 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.792 -9.903 -15.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.008 -8.119 -16.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.043 -9.246 -15.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.799 -7.725 -14.828 1.00 0.00 H new ATOM 49 N GLU A 4 -1.652 -8.733 -9.581 1.00 0.00 N ATOM 50 CA GLU A 4 -0.569 -7.757 -9.506 1.00 0.00 C ATOM 51 C GLU A 4 -0.085 -7.581 -8.073 1.00 0.00 C ATOM 52 O GLU A 4 -0.868 -7.671 -7.127 1.00 0.00 O ATOM 53 CB GLU A 4 -1.029 -6.411 -10.070 1.00 0.00 C ATOM 54 CG GLU A 4 -1.360 -6.431 -11.555 1.00 0.00 C ATOM 55 CD GLU A 4 -1.792 -5.089 -12.076 1.00 0.00 C ATOM 56 OE1 GLU A 4 -1.925 -4.182 -11.289 1.00 0.00 O ATOM 57 OE2 GLU A 4 -1.988 -4.970 -13.262 1.00 0.00 O ATOM 0 H GLU A 4 -2.538 -8.410 -9.193 1.00 0.00 H new ATOM 0 HA GLU A 4 0.262 -8.132 -10.104 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.910 -6.082 -9.518 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.248 -5.671 -9.894 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.486 -6.767 -12.112 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.152 -7.158 -11.736 1.00 0.00 H new ATOM 64 N THR A 5 1.210 -7.328 -7.919 1.00 0.00 N ATOM 65 CA THR A 5 1.812 -7.191 -6.598 1.00 0.00 C ATOM 66 C THR A 5 2.388 -5.796 -6.395 1.00 0.00 C ATOM 67 O THR A 5 3.070 -5.533 -5.406 1.00 0.00 O ATOM 68 CB THR A 5 2.918 -8.243 -6.381 1.00 0.00 C ATOM 69 OG1 THR A 5 3.937 -8.079 -7.375 1.00 0.00 O ATOM 70 CG2 THR A 5 2.343 -9.649 -6.477 1.00 0.00 C ATOM 0 H THR A 5 1.864 -7.214 -8.694 1.00 0.00 H new ATOM 0 HA THR A 5 1.021 -7.353 -5.866 1.00 0.00 H new ATOM 0 HB THR A 5 3.343 -8.102 -5.387 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.641 -8.747 -7.236 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.138 -10.379 -6.321 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.575 -9.781 -5.715 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.904 -9.796 -7.464 1.00 0.00 H new ATOM 78 N LYS A 6 2.108 -4.904 -7.340 1.00 0.00 N ATOM 79 CA LYS A 6 2.699 -3.571 -7.333 1.00 0.00 C ATOM 80 C LYS A 6 2.417 -2.851 -6.021 1.00 0.00 C ATOM 81 O LYS A 6 3.326 -2.308 -5.392 1.00 0.00 O ATOM 82 CB LYS A 6 2.173 -2.746 -8.509 1.00 0.00 C ATOM 83 CG LYS A 6 2.752 -1.341 -8.602 1.00 0.00 C ATOM 84 CD LYS A 6 2.246 -0.613 -9.838 1.00 0.00 C ATOM 85 CE LYS A 6 2.812 0.796 -9.923 1.00 0.00 C ATOM 86 NZ LYS A 6 2.373 1.498 -11.159 1.00 0.00 N ATOM 0 H LYS A 6 1.475 -5.080 -8.120 1.00 0.00 H new ATOM 0 HA LYS A 6 3.778 -3.684 -7.435 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.391 -3.277 -9.436 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.088 -2.674 -8.430 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.484 -0.776 -7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.840 -1.395 -8.630 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.524 -1.173 -10.731 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.157 -0.569 -9.816 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.496 1.367 -9.050 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.901 0.752 -9.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.781 2.455 -11.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.696 0.967 -11.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.335 1.564 -11.171 1.00 0.00 H new ATOM 100 N LEU A 7 1.153 -2.849 -5.612 1.00 0.00 N ATOM 101 CA LEU A 7 0.733 -2.117 -4.424 1.00 0.00 C ATOM 102 C LEU A 7 1.240 -2.789 -3.154 1.00 0.00 C ATOM 103 O LEU A 7 1.517 -2.124 -2.156 1.00 0.00 O ATOM 104 CB LEU A 7 -0.797 -2.013 -4.378 1.00 0.00 C ATOM 105 CG LEU A 7 -1.445 -1.232 -5.529 1.00 0.00 C ATOM 106 CD1 LEU A 7 -2.951 -1.165 -5.314 1.00 0.00 C ATOM 107 CD2 LEU A 7 -0.840 0.163 -5.599 1.00 0.00 C ATOM 0 H LEU A 7 0.401 -3.347 -6.087 1.00 0.00 H new ATOM 0 HA LEU A 7 1.163 -1.117 -4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.211 -3.021 -4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.083 -1.542 -3.437 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.255 -1.738 -6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.411 -0.610 -6.132 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.360 -2.175 -5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.162 -0.662 -4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.300 0.718 -6.416 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.020 0.685 -4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.233 0.086 -5.772 1.00 0.00 H new ATOM 119 N TYR A 8 1.358 -4.111 -3.198 1.00 0.00 N ATOM 120 CA TYR A 8 1.895 -4.871 -2.075 1.00 0.00 C ATOM 121 C TYR A 8 3.390 -4.630 -1.910 1.00 0.00 C ATOM 122 O TYR A 8 3.908 -4.629 -0.793 1.00 0.00 O ATOM 123 CB TYR A 8 1.615 -6.365 -2.256 1.00 0.00 C ATOM 124 CG TYR A 8 0.149 -6.726 -2.171 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.548 -7.072 -3.320 1.00 0.00 C ATOM 126 CD2 TYR A 8 -0.498 -6.713 -0.946 1.00 0.00 C ATOM 127 CE1 TYR A 8 -1.886 -7.402 -3.243 1.00 0.00 C ATOM 128 CE2 TYR A 8 -1.836 -7.044 -0.868 1.00 0.00 C ATOM 129 CZ TYR A 8 -2.531 -7.387 -2.010 1.00 0.00 C ATOM 130 OH TYR A 8 -3.864 -7.716 -1.934 1.00 0.00 O ATOM 0 H TYR A 8 1.089 -4.680 -4.001 1.00 0.00 H new ATOM 0 HA TYR A 8 1.395 -4.527 -1.170 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.002 -6.683 -3.224 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.162 -6.922 -1.495 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.043 -7.083 -4.275 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.045 -6.444 -0.052 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.430 -7.671 -4.136 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.339 -7.035 0.088 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.236 -7.785 -2.838 1.00 0.00 H new ATOM 140 N ASP A 9 4.078 -4.424 -3.028 1.00 0.00 N ATOM 141 CA ASP A 9 5.503 -4.115 -3.004 1.00 0.00 C ATOM 142 C ASP A 9 5.751 -2.704 -2.489 1.00 0.00 C ATOM 143 O ASP A 9 6.732 -2.453 -1.787 1.00 0.00 O ATOM 144 CB ASP A 9 6.108 -4.269 -4.403 1.00 0.00 C ATOM 145 CG ASP A 9 6.206 -5.721 -4.849 1.00 0.00 C ATOM 146 OD1 ASP A 9 6.137 -6.586 -4.008 1.00 0.00 O ATOM 147 OD2 ASP A 9 6.351 -5.951 -6.025 1.00 0.00 O ATOM 0 H ASP A 9 3.672 -4.465 -3.963 1.00 0.00 H new ATOM 0 HA ASP A 9 5.984 -4.820 -2.326 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.501 -3.714 -5.119 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.102 -3.823 -4.415 1.00 0.00 H new ATOM 152 N LEU A 10 4.860 -1.784 -2.841 1.00 0.00 N ATOM 153 CA LEU A 10 4.941 -0.412 -2.355 1.00 0.00 C ATOM 154 C LEU A 10 4.817 -0.357 -0.837 1.00 0.00 C ATOM 155 O LEU A 10 5.532 0.390 -0.172 1.00 0.00 O ATOM 156 CB LEU A 10 3.842 0.445 -2.996 1.00 0.00 C ATOM 157 CG LEU A 10 4.033 0.770 -4.482 1.00 0.00 C ATOM 158 CD1 LEU A 10 2.782 1.451 -5.018 1.00 0.00 C ATOM 159 CD2 LEU A 10 5.255 1.661 -4.652 1.00 0.00 C ATOM 0 H LEU A 10 4.072 -1.964 -3.463 1.00 0.00 H new ATOM 0 HA LEU A 10 5.917 -0.016 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.889 -0.070 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.770 1.382 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 10 4.194 -0.148 -5.047 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.918 1.682 -6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.926 0.786 -4.899 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.604 2.373 -4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.392 1.893 -5.708 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.112 2.586 -4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.138 1.143 -4.277 1.00 0.00 H new ATOM 171 N LEU A 11 3.901 -1.155 -0.295 1.00 0.00 N ATOM 172 CA LEU A 11 3.709 -1.230 1.147 1.00 0.00 C ATOM 173 C LEU A 11 4.760 -2.121 1.798 1.00 0.00 C ATOM 174 O LEU A 11 5.127 -1.921 2.956 1.00 0.00 O ATOM 175 CB LEU A 11 2.308 -1.762 1.469 1.00 0.00 C ATOM 176 CG LEU A 11 1.140 -0.868 1.032 1.00 0.00 C ATOM 177 CD1 LEU A 11 -0.178 -1.533 1.408 1.00 0.00 C ATOM 178 CD2 LEU A 11 1.271 0.497 1.691 1.00 0.00 C ATOM 0 H LEU A 11 3.281 -1.759 -0.835 1.00 0.00 H new ATOM 0 HA LEU A 11 3.815 -0.223 1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.192 -2.737 0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.238 -1.920 2.545 1.00 0.00 H new ATOM 0 HG LEU A 11 1.160 -0.731 -0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.008 -0.898 1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.254 -2.499 0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.217 -1.679 2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.441 1.132 1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.253 0.381 2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.212 0.957 1.391 1.00 0.00 H new ATOM 190 N GLY A 12 5.239 -3.107 1.047 1.00 0.00 N ATOM 191 CA GLY A 12 6.231 -4.045 1.556 1.00 0.00 C ATOM 192 C GLY A 12 5.583 -5.120 2.416 1.00 0.00 C ATOM 193 O GLY A 12 6.103 -5.482 3.473 1.00 0.00 O ATOM 0 H GLY A 12 4.955 -3.277 0.082 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.756 -4.511 0.722 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.976 -3.507 2.142 1.00 0.00 H new ATOM 197 N VAL A 13 4.445 -5.630 1.960 1.00 0.00 N ATOM 198 CA VAL A 13 3.660 -6.578 2.742 1.00 0.00 C ATOM 199 C VAL A 13 3.097 -7.685 1.863 1.00 0.00 C ATOM 200 O VAL A 13 2.691 -7.444 0.726 1.00 0.00 O ATOM 201 CB VAL A 13 2.502 -5.853 3.455 1.00 0.00 C ATOM 202 CG1 VAL A 13 1.550 -5.242 2.437 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.768 -6.824 4.367 1.00 0.00 C ATOM 0 H VAL A 13 4.044 -5.402 1.050 1.00 0.00 H new ATOM 0 HA VAL A 13 4.323 -7.025 3.483 1.00 0.00 H new ATOM 0 HB VAL A 13 2.909 -5.045 4.063 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.738 -4.734 2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.090 -4.525 1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.139 -6.029 1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.951 -6.305 4.868 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.367 -7.647 3.775 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.460 -7.217 5.112 1.00 0.00 H new ATOM 213 N SER A 14 3.075 -8.902 2.395 1.00 0.00 N ATOM 214 CA SER A 14 2.571 -10.054 1.655 1.00 0.00 C ATOM 215 C SER A 14 1.088 -9.903 1.343 1.00 0.00 C ATOM 216 O SER A 14 0.327 -9.363 2.147 1.00 0.00 O ATOM 217 CB SER A 14 2.804 -11.327 2.446 1.00 0.00 C ATOM 218 OG SER A 14 2.207 -12.427 1.815 1.00 0.00 O ATOM 0 H SER A 14 3.401 -9.117 3.337 1.00 0.00 H new ATOM 0 HA SER A 14 3.114 -10.111 0.712 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.875 -11.502 2.553 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.397 -11.215 3.451 1.00 0.00 H new ATOM 0 HG SER A 14 1.588 -12.864 2.436 1.00 0.00 H new ATOM 224 N PRO A 15 0.681 -10.383 0.172 1.00 0.00 N ATOM 225 CA PRO A 15 -0.723 -10.358 -0.220 1.00 0.00 C ATOM 226 C PRO A 15 -1.547 -11.323 0.622 1.00 0.00 C ATOM 227 O PRO A 15 -2.778 -11.274 0.612 1.00 0.00 O ATOM 228 CB PRO A 15 -0.677 -10.787 -1.691 1.00 0.00 C ATOM 229 CG PRO A 15 0.548 -11.633 -1.786 1.00 0.00 C ATOM 230 CD PRO A 15 1.538 -10.963 -0.873 1.00 0.00 C ATOM 0 HA PRO A 15 -1.195 -9.386 -0.076 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.570 -11.346 -1.971 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.619 -9.925 -2.356 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.348 -12.658 -1.472 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.920 -11.680 -2.809 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.253 -11.675 -0.460 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.114 -10.198 -1.394 1.00 0.00 H new ATOM 238 N SER A 16 -0.864 -12.200 1.348 1.00 0.00 N ATOM 239 CA SER A 16 -1.527 -13.115 2.269 1.00 0.00 C ATOM 240 C SER A 16 -1.909 -12.409 3.565 1.00 0.00 C ATOM 241 O SER A 16 -2.650 -12.954 4.383 1.00 0.00 O ATOM 242 CB SER A 16 -0.625 -14.295 2.572 1.00 0.00 C ATOM 243 OG SER A 16 0.495 -13.895 3.314 1.00 0.00 O ATOM 0 H SER A 16 0.151 -12.297 1.316 1.00 0.00 H new ATOM 0 HA SER A 16 -2.440 -13.472 1.791 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.182 -15.050 3.127 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.301 -14.758 1.640 1.00 0.00 H new ATOM 0 HG SER A 16 1.061 -14.674 3.498 1.00 0.00 H new ATOM 249 N ALA A 17 -1.399 -11.196 3.745 1.00 0.00 N ATOM 250 CA ALA A 17 -1.674 -10.420 4.948 1.00 0.00 C ATOM 251 C ALA A 17 -3.122 -9.944 4.976 1.00 0.00 C ATOM 252 O ALA A 17 -3.703 -9.634 3.938 1.00 0.00 O ATOM 253 CB ALA A 17 -0.726 -9.236 5.043 1.00 0.00 C ATOM 0 H ALA A 17 -0.792 -10.728 3.072 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.515 -11.068 5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.944 -8.667 5.947 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.302 -9.595 5.080 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.855 -8.596 4.171 1.00 0.00 H new ATOM 259 N ASN A 18 -3.697 -9.887 6.172 1.00 0.00 N ATOM 260 CA ASN A 18 -5.064 -9.410 6.343 1.00 0.00 C ATOM 261 C ASN A 18 -5.109 -7.891 6.441 1.00 0.00 C ATOM 262 O ASN A 18 -4.079 -7.223 6.347 1.00 0.00 O ATOM 263 CB ASN A 18 -5.701 -10.042 7.567 1.00 0.00 C ATOM 264 CG ASN A 18 -5.055 -9.598 8.850 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.541 -8.478 8.944 1.00 0.00 O ATOM 266 ND2 ASN A 18 -5.073 -10.453 9.840 1.00 0.00 N ATOM 0 H ASN A 18 -3.237 -10.166 7.039 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.634 -9.707 5.463 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.761 -9.789 7.592 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.634 -11.127 7.487 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.651 -10.206 10.735 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.509 -11.367 9.717 1.00 0.00 H new ATOM 273 N GLU A 19 -6.307 -7.349 6.628 1.00 0.00 N ATOM 274 CA GLU A 19 -6.511 -5.907 6.595 1.00 0.00 C ATOM 275 C GLU A 19 -5.593 -5.199 7.584 1.00 0.00 C ATOM 276 O GLU A 19 -4.928 -4.222 7.241 1.00 0.00 O ATOM 277 CB GLU A 19 -7.971 -5.565 6.905 1.00 0.00 C ATOM 278 CG GLU A 19 -8.291 -4.079 6.861 1.00 0.00 C ATOM 279 CD GLU A 19 -9.726 -3.780 7.196 1.00 0.00 C ATOM 280 OE1 GLU A 19 -10.465 -4.705 7.436 1.00 0.00 O ATOM 281 OE2 GLU A 19 -10.084 -2.626 7.211 1.00 0.00 O ATOM 0 H GLU A 19 -7.154 -7.889 6.805 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.269 -5.560 5.591 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.612 -6.084 6.192 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.219 -5.949 7.895 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.642 -3.552 7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.067 -3.693 5.866 1.00 0.00 H new ATOM 288 N GLN A 20 -5.562 -5.699 8.816 1.00 0.00 N ATOM 289 CA GLN A 20 -4.793 -5.065 9.881 1.00 0.00 C ATOM 290 C GLN A 20 -3.299 -5.114 9.586 1.00 0.00 C ATOM 291 O GLN A 20 -2.576 -4.147 9.830 1.00 0.00 O ATOM 292 CB GLN A 20 -5.083 -5.738 11.225 1.00 0.00 C ATOM 293 CG GLN A 20 -6.484 -5.490 11.756 1.00 0.00 C ATOM 294 CD GLN A 20 -6.747 -6.221 13.059 1.00 0.00 C ATOM 295 OE1 GLN A 20 -6.044 -7.174 13.404 1.00 0.00 O ATOM 296 NE2 GLN A 20 -7.764 -5.779 13.790 1.00 0.00 N ATOM 0 H GLN A 20 -6.061 -6.542 9.101 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.097 -4.020 9.934 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.931 -6.812 11.121 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.360 -5.383 11.960 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.628 -4.420 11.907 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.213 -5.808 11.011 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.319 -4.987 13.466 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.990 -6.231 14.676 1.00 0.00 H new ATOM 305 N GLU A 21 -2.842 -6.245 9.059 1.00 0.00 N ATOM 306 CA GLU A 21 -1.433 -6.421 8.726 1.00 0.00 C ATOM 307 C GLU A 21 -1.043 -5.578 7.520 1.00 0.00 C ATOM 308 O GLU A 21 0.084 -5.090 7.430 1.00 0.00 O ATOM 309 CB GLU A 21 -1.131 -7.895 8.450 1.00 0.00 C ATOM 310 CG GLU A 21 -1.229 -8.797 9.673 1.00 0.00 C ATOM 311 CD GLU A 21 -0.261 -8.418 10.759 1.00 0.00 C ATOM 312 OE1 GLU A 21 0.888 -8.201 10.455 1.00 0.00 O ATOM 313 OE2 GLU A 21 -0.670 -8.345 11.893 1.00 0.00 O ATOM 0 H GLU A 21 -3.428 -7.054 8.853 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.844 -6.089 9.581 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.822 -8.259 7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.127 -7.976 8.034 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.244 -8.756 10.068 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.045 -9.829 9.373 1.00 0.00 H new ATOM 320 N LEU A 22 -1.978 -5.409 6.593 1.00 0.00 N ATOM 321 CA LEU A 22 -1.784 -4.513 5.459 1.00 0.00 C ATOM 322 C LEU A 22 -1.638 -3.069 5.918 1.00 0.00 C ATOM 323 O LEU A 22 -0.827 -2.314 5.379 1.00 0.00 O ATOM 324 CB LEU A 22 -2.961 -4.631 4.482 1.00 0.00 C ATOM 325 CG LEU A 22 -3.046 -5.946 3.699 1.00 0.00 C ATOM 326 CD1 LEU A 22 -4.351 -5.986 2.913 1.00 0.00 C ATOM 327 CD2 LEU A 22 -1.845 -6.065 2.772 1.00 0.00 C ATOM 0 H LEU A 22 -2.881 -5.882 6.604 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.864 -4.807 4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.888 -4.502 5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.902 -3.808 3.769 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.033 -6.791 4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.412 -6.921 2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.193 -5.919 3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.383 -5.147 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.906 -7.000 2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.839 -5.227 2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.928 -6.053 3.361 1.00 0.00 H new ATOM 339 N LYS A 23 -2.429 -2.687 6.916 1.00 0.00 N ATOM 340 CA LYS A 23 -2.317 -1.364 7.517 1.00 0.00 C ATOM 341 C LYS A 23 -0.949 -1.162 8.156 1.00 0.00 C ATOM 342 O LYS A 23 -0.342 -0.099 8.022 1.00 0.00 O ATOM 343 CB LYS A 23 -3.419 -1.155 8.559 1.00 0.00 C ATOM 344 CG LYS A 23 -3.418 0.223 9.207 1.00 0.00 C ATOM 345 CD LYS A 23 -4.595 0.388 10.156 1.00 0.00 C ATOM 346 CE LYS A 23 -4.589 1.758 10.816 1.00 0.00 C ATOM 347 NZ LYS A 23 -5.737 1.935 11.746 1.00 0.00 N ATOM 0 H LYS A 23 -3.155 -3.276 7.325 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.434 -0.627 6.723 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.387 -1.320 8.085 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.313 -1.910 9.338 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.485 0.370 9.752 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.461 0.991 8.434 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.527 0.250 9.609 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.558 -0.387 10.922 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.656 1.893 11.363 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.623 2.530 10.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.694 2.882 12.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.629 1.832 11.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.692 1.215 12.495 1.00 0.00 H new ATOM 361 N LYS A 24 -0.469 -2.186 8.852 1.00 0.00 N ATOM 362 CA LYS A 24 0.857 -2.147 9.457 1.00 0.00 C ATOM 363 C LYS A 24 1.934 -1.891 8.411 1.00 0.00 C ATOM 364 O LYS A 24 2.880 -1.142 8.650 1.00 0.00 O ATOM 365 CB LYS A 24 1.144 -3.452 10.201 1.00 0.00 C ATOM 366 CG LYS A 24 0.331 -3.643 11.474 1.00 0.00 C ATOM 367 CD LYS A 24 0.636 -4.982 12.128 1.00 0.00 C ATOM 368 CE LYS A 24 -0.245 -5.218 13.346 1.00 0.00 C ATOM 369 NZ LYS A 24 -0.002 -6.551 13.960 1.00 0.00 N ATOM 0 H LYS A 24 -0.979 -3.055 9.012 1.00 0.00 H new ATOM 0 HA LYS A 24 0.874 -1.322 10.170 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.948 -4.289 9.530 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.204 -3.487 10.453 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.551 -2.836 12.173 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.732 -3.583 11.242 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.484 -5.784 11.406 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.685 -5.014 12.424 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.058 -4.439 14.085 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.293 -5.138 13.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.646 -6.685 14.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.172 -7.295 13.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.982 -6.607 14.291 1.00 0.00 H new ATOM 383 N GLY A 25 1.784 -2.520 7.250 1.00 0.00 N ATOM 384 CA GLY A 25 2.687 -2.287 6.129 1.00 0.00 C ATOM 385 C GLY A 25 2.701 -0.817 5.730 1.00 0.00 C ATOM 386 O GLY A 25 3.761 -0.232 5.510 1.00 0.00 O ATOM 0 H GLY A 25 1.044 -3.196 7.061 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.695 -2.603 6.398 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.379 -2.895 5.278 1.00 0.00 H new ATOM 390 N TYR A 26 1.515 -0.223 5.636 1.00 0.00 N ATOM 391 CA TYR A 26 1.390 1.192 5.315 1.00 0.00 C ATOM 392 C TYR A 26 2.055 2.060 6.377 1.00 0.00 C ATOM 393 O TYR A 26 2.778 3.004 6.058 1.00 0.00 O ATOM 394 CB TYR A 26 -0.082 1.579 5.160 1.00 0.00 C ATOM 395 CG TYR A 26 -0.305 3.056 4.917 1.00 0.00 C ATOM 396 CD1 TYR A 26 0.216 3.657 3.780 1.00 0.00 C ATOM 397 CD2 TYR A 26 -1.028 3.807 5.830 1.00 0.00 C ATOM 398 CE1 TYR A 26 0.015 5.005 3.559 1.00 0.00 C ATOM 399 CE2 TYR A 26 -1.231 5.156 5.608 1.00 0.00 C ATOM 400 CZ TYR A 26 -0.712 5.755 4.478 1.00 0.00 C ATOM 401 OH TYR A 26 -0.915 7.098 4.257 1.00 0.00 O ATOM 0 H TYR A 26 0.626 -0.702 5.778 1.00 0.00 H new ATOM 0 HA TYR A 26 1.901 1.365 4.368 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.510 1.016 4.331 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.622 1.283 6.059 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.778 3.071 3.068 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.433 3.338 6.715 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.421 5.476 2.676 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.796 5.741 6.319 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.761 7.301 3.311 1.00 0.00 H new ATOM 411 N ARG A 27 1.805 1.734 7.641 1.00 0.00 N ATOM 412 CA ARG A 27 2.368 2.491 8.753 1.00 0.00 C ATOM 413 C ARG A 27 3.890 2.510 8.691 1.00 0.00 C ATOM 414 O ARG A 27 4.517 3.547 8.914 1.00 0.00 O ATOM 415 CB ARG A 27 1.925 1.899 10.082 1.00 0.00 C ATOM 416 CG ARG A 27 0.454 2.099 10.412 1.00 0.00 C ATOM 417 CD ARG A 27 0.075 1.411 11.673 1.00 0.00 C ATOM 418 NE ARG A 27 0.720 2.010 12.831 1.00 0.00 N ATOM 419 CZ ARG A 27 0.745 1.461 14.062 1.00 0.00 C ATOM 420 NH1 ARG A 27 0.158 0.306 14.277 1.00 0.00 N ATOM 421 NH2 ARG A 27 1.358 2.086 15.052 1.00 0.00 N ATOM 0 H ARG A 27 1.216 0.950 7.921 1.00 0.00 H new ATOM 0 HA ARG A 27 2.001 3.514 8.672 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.139 0.830 10.077 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.525 2.341 10.878 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.243 3.165 10.501 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.157 1.720 9.593 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.007 1.452 11.798 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.349 0.358 11.609 1.00 0.00 H new ATOM 0 HE ARG A 27 1.186 2.908 12.703 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.316 -0.175 13.513 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.177 -0.110 15.208 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.812 2.984 14.885 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.377 1.671 15.983 1.00 0.00 H new ATOM 435 N LYS A 28 4.479 1.359 8.387 1.00 0.00 N ATOM 436 CA LYS A 28 5.927 1.252 8.247 1.00 0.00 C ATOM 437 C LYS A 28 6.425 2.051 7.052 1.00 0.00 C ATOM 438 O LYS A 28 7.420 2.771 7.143 1.00 0.00 O ATOM 439 CB LYS A 28 6.346 -0.213 8.113 1.00 0.00 C ATOM 440 CG LYS A 28 6.184 -1.033 9.386 1.00 0.00 C ATOM 441 CD LYS A 28 6.583 -2.483 9.163 1.00 0.00 C ATOM 442 CE LYS A 28 6.402 -3.309 10.427 1.00 0.00 C ATOM 443 NZ LYS A 28 6.768 -4.737 10.217 1.00 0.00 N ATOM 0 H LYS A 28 3.975 0.485 8.233 1.00 0.00 H new ATOM 0 HA LYS A 28 6.380 1.668 9.147 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.758 -0.675 7.320 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.389 -0.253 7.800 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.796 -0.603 10.179 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.148 -0.986 9.722 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.981 -2.908 8.360 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.623 -2.530 8.841 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.016 -2.891 11.224 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.365 -3.245 10.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.630 -5.265 11.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.165 -5.144 9.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.765 -4.801 9.928 1.00 0.00 H new ATOM 457 N ALA A 29 5.728 1.923 5.927 1.00 0.00 N ATOM 458 CA ALA A 29 6.077 2.660 4.720 1.00 0.00 C ATOM 459 C ALA A 29 5.889 4.159 4.916 1.00 0.00 C ATOM 460 O ALA A 29 6.639 4.966 4.366 1.00 0.00 O ATOM 461 CB ALA A 29 5.244 2.174 3.542 1.00 0.00 C ATOM 0 H ALA A 29 4.916 1.314 5.827 1.00 0.00 H new ATOM 0 HA ALA A 29 7.130 2.476 4.508 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.517 2.734 2.648 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.432 1.113 3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.186 2.326 3.757 1.00 0.00 H new ATOM 467 N ALA A 30 4.884 4.526 5.705 1.00 0.00 N ATOM 468 CA ALA A 30 4.623 5.928 6.011 1.00 0.00 C ATOM 469 C ALA A 30 5.765 6.539 6.813 1.00 0.00 C ATOM 470 O ALA A 30 6.104 7.709 6.635 1.00 0.00 O ATOM 471 CB ALA A 30 3.311 6.068 6.768 1.00 0.00 C ATOM 0 H ALA A 30 4.237 3.871 6.144 1.00 0.00 H new ATOM 0 HA ALA A 30 4.546 6.470 5.068 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.129 7.120 6.990 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.496 5.680 6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.367 5.505 7.700 1.00 0.00 H new ATOM 477 N LEU A 31 6.356 5.740 7.695 1.00 0.00 N ATOM 478 CA LEU A 31 7.543 6.158 8.432 1.00 0.00 C ATOM 479 C LEU A 31 8.743 6.304 7.506 1.00 0.00 C ATOM 480 O LEU A 31 9.576 7.192 7.688 1.00 0.00 O ATOM 481 CB LEU A 31 7.863 5.144 9.538 1.00 0.00 C ATOM 482 CG LEU A 31 6.865 5.090 10.701 1.00 0.00 C ATOM 483 CD1 LEU A 31 7.208 3.918 11.610 1.00 0.00 C ATOM 484 CD2 LEU A 31 6.905 6.406 11.465 1.00 0.00 C ATOM 0 H LEU A 31 6.032 4.799 7.917 1.00 0.00 H new ATOM 0 HA LEU A 31 7.335 7.130 8.880 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.924 4.152 9.090 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.850 5.373 9.941 1.00 0.00 H new ATOM 0 HG LEU A 31 5.854 4.945 10.320 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.499 3.879 12.437 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.154 2.989 11.042 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.217 4.045 12.003 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.196 6.368 12.292 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.909 6.570 11.856 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.638 7.224 10.795 1.00 0.00 H new ATOM 496 N LYS A 32 8.826 5.429 6.510 1.00 0.00 N ATOM 497 CA LYS A 32 9.888 5.500 5.513 1.00 0.00 C ATOM 498 C LYS A 32 9.772 6.768 4.676 1.00 0.00 C ATOM 499 O LYS A 32 10.773 7.421 4.378 1.00 0.00 O ATOM 500 CB LYS A 32 9.858 4.268 4.608 1.00 0.00 C ATOM 501 CG LYS A 32 10.280 2.974 5.291 1.00 0.00 C ATOM 502 CD LYS A 32 10.192 1.790 4.339 1.00 0.00 C ATOM 503 CE LYS A 32 10.599 0.496 5.025 1.00 0.00 C ATOM 504 NZ LYS A 32 10.505 -0.673 4.110 1.00 0.00 N ATOM 0 H LYS A 32 8.169 4.661 6.371 1.00 0.00 H new ATOM 0 HA LYS A 32 10.841 5.526 6.042 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.848 4.145 4.216 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.512 4.444 3.754 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.301 3.071 5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.644 2.794 6.158 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.173 1.699 3.962 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.836 1.965 3.477 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.621 0.587 5.393 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.961 0.329 5.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.791 -1.535 4.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.525 -0.776 3.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.133 -0.527 3.294 1.00 0.00 H new ATOM 518 N TYR A 33 8.545 7.111 4.299 1.00 0.00 N ATOM 519 CA TYR A 33 8.295 8.310 3.505 1.00 0.00 C ATOM 520 C TYR A 33 7.291 9.226 4.194 1.00 0.00 C ATOM 521 O TYR A 33 6.229 9.519 3.646 1.00 0.00 O ATOM 522 CB TYR A 33 7.799 7.933 2.109 1.00 0.00 C ATOM 523 CG TYR A 33 8.670 6.915 1.405 1.00 0.00 C ATOM 524 CD1 TYR A 33 8.245 5.600 1.290 1.00 0.00 C ATOM 525 CD2 TYR A 33 9.894 7.298 0.876 1.00 0.00 C ATOM 526 CE1 TYR A 33 9.041 4.671 0.648 1.00 0.00 C ATOM 527 CE2 TYR A 33 10.689 6.367 0.235 1.00 0.00 C ATOM 528 CZ TYR A 33 10.267 5.060 0.119 1.00 0.00 C ATOM 529 OH TYR A 33 11.059 4.134 -0.520 1.00 0.00 O ATOM 0 H TYR A 33 7.708 6.576 4.530 1.00 0.00 H new ATOM 0 HA TYR A 33 9.236 8.851 3.409 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.786 7.538 2.188 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.743 8.834 1.498 1.00 0.00 H new ATOM 0 HD1 TYR A 33 7.292 5.302 1.702 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.225 8.322 0.965 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.712 3.646 0.557 1.00 0.00 H new ATOM 0 HE2 TYR A 33 11.643 6.664 -0.176 1.00 0.00 H new ATOM 0 HH TYR A 33 11.881 4.567 -0.833 1.00 0.00 H new ATOM 539 N HIS A 34 7.634 9.673 5.397 1.00 0.00 N ATOM 540 CA HIS A 34 6.748 10.530 6.175 1.00 0.00 C ATOM 541 C HIS A 34 6.689 11.937 5.592 1.00 0.00 C ATOM 542 O HIS A 34 7.710 12.497 5.194 1.00 0.00 O ATOM 543 CB HIS A 34 7.203 10.596 7.637 1.00 0.00 C ATOM 544 CG HIS A 34 6.153 11.107 8.572 1.00 0.00 C ATOM 545 ND1 HIS A 34 5.873 12.450 8.713 1.00 0.00 N ATOM 546 CD2 HIS A 34 5.318 10.457 9.416 1.00 0.00 C ATOM 547 CE1 HIS A 34 4.907 12.603 9.603 1.00 0.00 C ATOM 548 NE2 HIS A 34 4.553 11.409 10.044 1.00 0.00 N ATOM 0 H HIS A 34 8.519 9.456 5.854 1.00 0.00 H new ATOM 0 HA HIS A 34 5.750 10.094 6.132 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.509 9.600 7.958 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.082 11.237 7.706 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.264 9.389 9.567 1.00 0.00 H new ATOM 0 HE1 HIS A 34 4.480 13.544 9.916 1.00 0.00 H new ATOM 0 HE2 HIS A 34 3.829 11.224 10.738 1.00 0.00 H new ATOM 556 N PRO A 35 5.487 12.502 5.544 1.00 0.00 N ATOM 557 CA PRO A 35 5.290 13.837 4.991 1.00 0.00 C ATOM 558 C PRO A 35 6.235 14.845 5.632 1.00 0.00 C ATOM 559 O PRO A 35 6.704 15.775 4.976 1.00 0.00 O ATOM 560 CB PRO A 35 3.827 14.138 5.331 1.00 0.00 C ATOM 561 CG PRO A 35 3.164 12.802 5.313 1.00 0.00 C ATOM 562 CD PRO A 35 4.180 11.873 5.923 1.00 0.00 C ATOM 0 HA PRO A 35 5.499 13.897 3.923 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.735 14.615 6.307 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.380 14.814 4.602 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.238 12.810 5.887 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.907 12.499 4.298 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.065 11.804 7.005 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.090 10.861 5.527 1.00 0.00 H new ATOM 570 N ASP A 36 6.511 14.654 6.918 1.00 0.00 N ATOM 571 CA ASP A 36 7.320 15.601 7.676 1.00 0.00 C ATOM 572 C ASP A 36 8.778 15.160 7.729 1.00 0.00 C ATOM 573 O ASP A 36 9.584 15.737 8.460 1.00 0.00 O ATOM 574 CB ASP A 36 6.775 15.755 9.097 1.00 0.00 C ATOM 575 CG ASP A 36 5.392 16.392 9.136 1.00 0.00 C ATOM 576 OD1 ASP A 36 5.086 17.154 8.249 1.00 0.00 O ATOM 577 OD2 ASP A 36 4.657 16.112 10.052 1.00 0.00 O ATOM 0 H ASP A 36 6.186 13.851 7.457 1.00 0.00 H new ATOM 0 HA ASP A 36 7.268 16.563 7.167 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.732 14.775 9.572 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.466 16.362 9.682 1.00 0.00 H new ATOM 582 N LYS A 37 9.109 14.135 6.953 1.00 0.00 N ATOM 583 CA LYS A 37 10.478 13.635 6.886 1.00 0.00 C ATOM 584 C LYS A 37 11.315 14.453 5.911 1.00 0.00 C ATOM 585 O LYS A 37 10.958 14.599 4.742 1.00 0.00 O ATOM 586 CB LYS A 37 10.491 12.160 6.482 1.00 0.00 C ATOM 587 CG LYS A 37 11.867 11.509 6.519 1.00 0.00 C ATOM 588 CD LYS A 37 11.776 10.009 6.284 1.00 0.00 C ATOM 589 CE LYS A 37 13.156 9.386 6.141 1.00 0.00 C ATOM 590 NZ LYS A 37 13.089 7.902 6.043 1.00 0.00 N ATOM 0 H LYS A 37 8.448 13.633 6.360 1.00 0.00 H new ATOM 0 HA LYS A 37 10.918 13.733 7.879 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.824 11.609 7.145 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.086 12.068 5.474 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.505 11.960 5.759 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.336 11.700 7.484 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.248 9.540 7.114 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.192 9.815 5.384 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.645 9.787 5.253 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.771 9.666 6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.967 7.542 5.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.973 7.496 6.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.280 7.629 5.449 1.00 0.00 H new ATOM 604 N PRO A 38 12.432 14.983 6.399 1.00 0.00 N ATOM 605 CA PRO A 38 13.256 15.890 5.610 1.00 0.00 C ATOM 606 C PRO A 38 14.022 15.138 4.528 1.00 0.00 C ATOM 607 O PRO A 38 14.520 15.739 3.576 1.00 0.00 O ATOM 608 CB PRO A 38 14.202 16.492 6.655 1.00 0.00 C ATOM 609 CG PRO A 38 14.276 15.455 7.722 1.00 0.00 C ATOM 610 CD PRO A 38 12.882 14.890 7.792 1.00 0.00 C ATOM 0 HA PRO A 38 12.678 16.644 5.075 1.00 0.00 H new ATOM 0 HB2 PRO A 38 15.185 16.698 6.231 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.818 17.436 7.043 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.006 14.683 7.476 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.578 15.887 8.676 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.879 13.861 8.152 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.244 15.465 8.464 1.00 0.00 H new ATOM 618 N THR A 39 14.110 13.821 4.680 1.00 0.00 N ATOM 619 CA THR A 39 14.762 12.978 3.684 1.00 0.00 C ATOM 620 C THR A 39 13.775 11.998 3.063 1.00 0.00 C ATOM 621 O THR A 39 14.171 10.999 2.462 1.00 0.00 O ATOM 622 CB THR A 39 15.941 12.203 4.300 1.00 0.00 C ATOM 623 OG1 THR A 39 15.469 11.396 5.388 1.00 0.00 O ATOM 624 CG2 THR A 39 17.003 13.164 4.811 1.00 0.00 C ATOM 0 H THR A 39 13.738 13.314 5.483 1.00 0.00 H new ATOM 0 HA THR A 39 15.143 13.636 2.903 1.00 0.00 H new ATOM 0 HB THR A 39 16.380 11.568 3.531 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.220 10.902 5.778 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.828 12.598 5.243 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.372 13.771 3.984 1.00 0.00 H new ATOM 0 HG23 THR A 39 16.570 13.813 5.573 1.00 0.00 H new ATOM 632 N GLY A 40 12.487 12.291 3.208 1.00 0.00 N ATOM 633 CA GLY A 40 11.440 11.432 2.667 1.00 0.00 C ATOM 634 C GLY A 40 10.836 12.029 1.404 1.00 0.00 C ATOM 635 O GLY A 40 10.870 13.242 1.200 1.00 0.00 O ATOM 0 H GLY A 40 12.143 13.118 3.696 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.852 10.447 2.446 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.660 11.290 3.415 1.00 0.00 H new ATOM 639 N ASP A 41 10.282 11.169 0.555 1.00 0.00 N ATOM 640 CA ASP A 41 9.695 11.607 -0.705 1.00 0.00 C ATOM 641 C ASP A 41 8.173 11.596 -0.637 1.00 0.00 C ATOM 642 O ASP A 41 7.555 10.539 -0.506 1.00 0.00 O ATOM 643 CB ASP A 41 10.166 10.712 -1.855 1.00 0.00 C ATOM 644 CG ASP A 41 9.692 11.202 -3.217 1.00 0.00 C ATOM 645 OD1 ASP A 41 8.874 12.090 -3.256 1.00 0.00 O ATOM 646 OD2 ASP A 41 10.151 10.682 -4.206 1.00 0.00 O ATOM 0 H ASP A 41 10.228 10.164 0.718 1.00 0.00 H new ATOM 0 HA ASP A 41 10.026 12.630 -0.886 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.255 10.665 -1.850 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.802 9.698 -1.692 1.00 0.00 H new ATOM 651 N THR A 42 7.574 12.779 -0.725 1.00 0.00 N ATOM 652 CA THR A 42 6.122 12.908 -0.659 1.00 0.00 C ATOM 653 C THR A 42 5.446 12.078 -1.743 1.00 0.00 C ATOM 654 O THR A 42 4.373 11.516 -1.527 1.00 0.00 O ATOM 655 CB THR A 42 5.693 14.382 -0.791 1.00 0.00 C ATOM 656 OG1 THR A 42 6.256 15.145 0.283 1.00 0.00 O ATOM 657 CG2 THR A 42 4.177 14.500 -0.750 1.00 0.00 C ATOM 0 H THR A 42 8.071 13.662 -0.842 1.00 0.00 H new ATOM 0 HA THR A 42 5.806 12.534 0.315 1.00 0.00 H new ATOM 0 HB THR A 42 6.053 14.766 -1.746 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.983 16.082 0.196 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.891 15.548 -0.844 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.745 13.930 -1.573 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.807 14.107 0.197 1.00 0.00 H new ATOM 665 N GLU A 43 6.080 12.007 -2.909 1.00 0.00 N ATOM 666 CA GLU A 43 5.514 11.291 -4.045 1.00 0.00 C ATOM 667 C GLU A 43 5.453 9.793 -3.777 1.00 0.00 C ATOM 668 O GLU A 43 4.543 9.106 -4.241 1.00 0.00 O ATOM 669 CB GLU A 43 6.334 11.560 -5.307 1.00 0.00 C ATOM 670 CG GLU A 43 6.242 12.989 -5.826 1.00 0.00 C ATOM 671 CD GLU A 43 4.840 13.389 -6.191 1.00 0.00 C ATOM 672 OE1 GLU A 43 4.200 12.655 -6.906 1.00 0.00 O ATOM 673 OE2 GLU A 43 4.407 14.430 -5.755 1.00 0.00 O ATOM 0 H GLU A 43 6.987 12.437 -3.091 1.00 0.00 H new ATOM 0 HA GLU A 43 4.497 11.654 -4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.379 11.327 -5.103 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.004 10.880 -6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.623 13.671 -5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.884 13.095 -6.700 1.00 0.00 H new ATOM 680 N LYS A 44 6.428 9.291 -3.026 1.00 0.00 N ATOM 681 CA LYS A 44 6.426 7.896 -2.601 1.00 0.00 C ATOM 682 C LYS A 44 5.367 7.646 -1.536 1.00 0.00 C ATOM 683 O LYS A 44 4.762 6.575 -1.489 1.00 0.00 O ATOM 684 CB LYS A 44 7.807 7.496 -2.076 1.00 0.00 C ATOM 685 CG LYS A 44 8.909 7.513 -3.126 1.00 0.00 C ATOM 686 CD LYS A 44 8.591 6.567 -4.275 1.00 0.00 C ATOM 687 CE LYS A 44 8.733 5.113 -3.852 1.00 0.00 C ATOM 688 NZ LYS A 44 8.499 4.177 -4.985 1.00 0.00 N ATOM 0 H LYS A 44 7.230 9.830 -2.699 1.00 0.00 H new ATOM 0 HA LYS A 44 6.185 7.282 -3.469 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.084 8.171 -1.266 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.744 6.495 -1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.034 8.526 -3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.856 7.227 -2.668 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.575 6.748 -4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.259 6.771 -5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.732 4.949 -3.447 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.025 4.898 -3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.704 3.204 -4.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.507 4.242 -5.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.122 4.430 -5.778 1.00 0.00 H new ATOM 702 N PHE A 45 5.149 8.639 -0.680 1.00 0.00 N ATOM 703 CA PHE A 45 4.048 8.600 0.274 1.00 0.00 C ATOM 704 C PHE A 45 2.705 8.509 -0.437 1.00 0.00 C ATOM 705 O PHE A 45 1.813 7.775 -0.010 1.00 0.00 O ATOM 706 CB PHE A 45 4.073 9.839 1.171 1.00 0.00 C ATOM 707 CG PHE A 45 3.018 9.835 2.239 1.00 0.00 C ATOM 708 CD1 PHE A 45 1.894 10.638 2.128 1.00 0.00 C ATOM 709 CD2 PHE A 45 3.149 9.030 3.361 1.00 0.00 C ATOM 710 CE1 PHE A 45 0.922 10.636 3.112 1.00 0.00 C ATOM 711 CE2 PHE A 45 2.181 9.024 4.346 1.00 0.00 C ATOM 712 CZ PHE A 45 1.065 9.829 4.219 1.00 0.00 C ATOM 0 H PHE A 45 5.722 9.482 -0.628 1.00 0.00 H new ATOM 0 HA PHE A 45 4.175 7.709 0.888 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.053 9.916 1.642 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.947 10.727 0.552 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.776 11.273 1.263 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.020 8.400 3.466 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.051 11.267 3.012 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.296 8.391 5.214 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.306 9.825 4.987 1.00 0.00 H new ATOM 722 N LYS A 46 2.565 9.259 -1.526 1.00 0.00 N ATOM 723 CA LYS A 46 1.358 9.206 -2.342 1.00 0.00 C ATOM 724 C LYS A 46 1.124 7.803 -2.889 1.00 0.00 C ATOM 725 O LYS A 46 -0.002 7.307 -2.888 1.00 0.00 O ATOM 726 CB LYS A 46 1.447 10.212 -3.492 1.00 0.00 C ATOM 727 CG LYS A 46 1.357 11.669 -3.061 1.00 0.00 C ATOM 728 CD LYS A 46 1.529 12.607 -4.246 1.00 0.00 C ATOM 729 CE LYS A 46 1.481 14.065 -3.810 1.00 0.00 C ATOM 730 NZ LYS A 46 1.741 14.993 -4.945 1.00 0.00 N ATOM 0 H LYS A 46 3.273 9.911 -1.863 1.00 0.00 H new ATOM 0 HA LYS A 46 0.512 9.468 -1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.388 10.059 -4.020 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.646 10.006 -4.202 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.393 11.851 -2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.124 11.878 -2.315 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.480 12.404 -4.738 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.744 12.418 -4.979 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.504 14.283 -3.379 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.220 14.234 -3.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.649 15.976 -4.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.703 14.837 -5.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.052 14.815 -5.704 1.00 0.00 H new ATOM 744 N GLU A 47 2.195 7.170 -3.357 1.00 0.00 N ATOM 745 CA GLU A 47 2.101 5.840 -3.945 1.00 0.00 C ATOM 746 C GLU A 47 1.595 4.823 -2.932 1.00 0.00 C ATOM 747 O GLU A 47 0.690 4.039 -3.221 1.00 0.00 O ATOM 748 CB GLU A 47 3.463 5.399 -4.488 1.00 0.00 C ATOM 749 CG GLU A 47 3.909 6.137 -5.742 1.00 0.00 C ATOM 750 CD GLU A 47 5.272 5.716 -6.215 1.00 0.00 C ATOM 751 OE1 GLU A 47 5.877 4.895 -5.568 1.00 0.00 O ATOM 752 OE2 GLU A 47 5.710 6.216 -7.224 1.00 0.00 O ATOM 0 H GLU A 47 3.138 7.558 -3.340 1.00 0.00 H new ATOM 0 HA GLU A 47 1.386 5.890 -4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.214 5.542 -3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.426 4.331 -4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.184 5.963 -6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.914 7.209 -5.544 1.00 0.00 H new ATOM 759 N ILE A 48 2.182 4.841 -1.740 1.00 0.00 N ATOM 760 CA ILE A 48 1.834 3.879 -0.700 1.00 0.00 C ATOM 761 C ILE A 48 0.478 4.198 -0.084 1.00 0.00 C ATOM 762 O ILE A 48 -0.186 3.321 0.468 1.00 0.00 O ATOM 763 CB ILE A 48 2.907 3.853 0.405 1.00 0.00 C ATOM 764 CG1 ILE A 48 2.980 5.210 1.111 1.00 0.00 C ATOM 765 CG2 ILE A 48 4.261 3.479 -0.179 1.00 0.00 C ATOM 766 CD1 ILE A 48 3.851 5.209 2.346 1.00 0.00 C ATOM 0 H ILE A 48 2.901 5.512 -1.470 1.00 0.00 H new ATOM 0 HA ILE A 48 1.782 2.897 -1.171 1.00 0.00 H new ATOM 0 HB ILE A 48 2.630 3.098 1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.360 5.954 0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.972 5.519 1.389 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.008 3.465 0.614 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.200 2.492 -0.637 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.547 4.212 -0.934 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.853 6.204 2.791 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.460 4.490 3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.869 4.932 2.073 1.00 0.00 H new ATOM 778 N SER A 49 0.073 5.460 -0.182 1.00 0.00 N ATOM 779 CA SER A 49 -1.246 5.879 0.281 1.00 0.00 C ATOM 780 C SER A 49 -2.344 5.352 -0.632 1.00 0.00 C ATOM 781 O SER A 49 -3.409 4.942 -0.168 1.00 0.00 O ATOM 782 CB SER A 49 -1.317 7.392 0.353 1.00 0.00 C ATOM 783 OG SER A 49 -0.478 7.886 1.360 1.00 0.00 O ATOM 0 H SER A 49 0.639 6.211 -0.578 1.00 0.00 H new ATOM 0 HA SER A 49 -1.401 5.462 1.276 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.029 7.819 -0.607 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.344 7.703 0.545 1.00 0.00 H new ATOM 0 HG SER A 49 0.457 7.800 1.079 1.00 0.00 H new ATOM 789 N GLU A 50 -2.080 5.366 -1.936 1.00 0.00 N ATOM 790 CA GLU A 50 -2.955 4.713 -2.901 1.00 0.00 C ATOM 791 C GLU A 50 -2.999 3.207 -2.677 1.00 0.00 C ATOM 792 O GLU A 50 -4.067 2.596 -2.710 1.00 0.00 O ATOM 793 CB GLU A 50 -2.492 5.013 -4.328 1.00 0.00 C ATOM 794 CG GLU A 50 -2.808 6.421 -4.810 1.00 0.00 C ATOM 795 CD GLU A 50 -2.344 6.677 -6.218 1.00 0.00 C ATOM 796 OE1 GLU A 50 -1.404 6.044 -6.636 1.00 0.00 O ATOM 797 OE2 GLU A 50 -2.928 7.506 -6.873 1.00 0.00 O ATOM 0 H GLU A 50 -1.266 5.823 -2.347 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.960 5.109 -2.759 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.415 4.855 -4.388 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.957 4.297 -5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.884 6.586 -4.752 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.338 7.142 -4.141 1.00 0.00 H new ATOM 804 N ALA A 51 -1.833 2.614 -2.447 1.00 0.00 N ATOM 805 CA ALA A 51 -1.743 1.190 -2.147 1.00 0.00 C ATOM 806 C ALA A 51 -2.569 0.834 -0.916 1.00 0.00 C ATOM 807 O ALA A 51 -3.306 -0.151 -0.916 1.00 0.00 O ATOM 808 CB ALA A 51 -0.290 0.782 -1.945 1.00 0.00 C ATOM 0 H ALA A 51 -0.935 3.098 -2.463 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.149 0.640 -2.996 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.239 -0.284 -1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.276 0.990 -2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.135 1.347 -1.115 1.00 0.00 H new ATOM 814 N PHE A 52 -2.439 1.643 0.130 1.00 0.00 N ATOM 815 CA PHE A 52 -3.195 1.432 1.359 1.00 0.00 C ATOM 816 C PHE A 52 -4.695 1.505 1.102 1.00 0.00 C ATOM 817 O PHE A 52 -5.432 0.564 1.400 1.00 0.00 O ATOM 818 CB PHE A 52 -2.803 2.467 2.413 1.00 0.00 C ATOM 819 CG PHE A 52 -3.650 2.423 3.653 1.00 0.00 C ATOM 820 CD1 PHE A 52 -3.589 1.336 4.513 1.00 0.00 C ATOM 821 CD2 PHE A 52 -4.510 3.467 3.962 1.00 0.00 C ATOM 822 CE1 PHE A 52 -4.369 1.295 5.653 1.00 0.00 C ATOM 823 CE2 PHE A 52 -5.289 3.427 5.100 1.00 0.00 C ATOM 824 CZ PHE A 52 -5.218 2.340 5.947 1.00 0.00 C ATOM 0 H PHE A 52 -1.817 2.451 0.151 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.955 0.435 1.728 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.761 2.311 2.691 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.871 3.462 1.974 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.925 0.514 4.289 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.570 4.321 3.304 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.313 0.443 6.314 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.954 4.247 5.328 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.827 2.308 6.839 1.00 0.00 H new ATOM 834 N GLU A 53 -5.142 2.627 0.548 1.00 0.00 N ATOM 835 CA GLU A 53 -6.563 2.855 0.319 1.00 0.00 C ATOM 836 C GLU A 53 -7.178 1.726 -0.497 1.00 0.00 C ATOM 837 O GLU A 53 -8.216 1.175 -0.129 1.00 0.00 O ATOM 838 CB GLU A 53 -6.780 4.191 -0.395 1.00 0.00 C ATOM 839 CG GLU A 53 -8.235 4.502 -0.717 1.00 0.00 C ATOM 840 CD GLU A 53 -8.404 5.796 -1.462 1.00 0.00 C ATOM 841 OE1 GLU A 53 -7.453 6.534 -1.560 1.00 0.00 O ATOM 842 OE2 GLU A 53 -9.487 6.048 -1.937 1.00 0.00 O ATOM 0 H GLU A 53 -4.539 3.394 0.249 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.057 2.884 1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.379 4.991 0.227 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.207 4.191 -1.322 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.652 3.689 -1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.806 4.545 0.210 1.00 0.00 H new ATOM 849 N ILE A 54 -6.531 1.385 -1.607 1.00 0.00 N ATOM 850 CA ILE A 54 -7.039 0.351 -2.501 1.00 0.00 C ATOM 851 C ILE A 54 -7.085 -1.004 -1.808 1.00 0.00 C ATOM 852 O ILE A 54 -8.049 -1.756 -1.956 1.00 0.00 O ATOM 853 CB ILE A 54 -6.172 0.249 -3.770 1.00 0.00 C ATOM 854 CG1 ILE A 54 -6.335 1.505 -4.630 1.00 0.00 C ATOM 855 CG2 ILE A 54 -6.536 -0.995 -4.564 1.00 0.00 C ATOM 856 CD1 ILE A 54 -5.296 1.637 -5.721 1.00 0.00 C ATOM 0 H ILE A 54 -5.654 1.810 -1.909 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.053 0.635 -2.782 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.127 0.171 -3.471 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.326 1.497 -5.084 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.286 2.383 -3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.914 -1.051 -5.457 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.370 -1.880 -3.950 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.585 -0.947 -4.855 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.477 2.551 -6.287 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.303 1.678 -5.274 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.358 0.778 -6.389 1.00 0.00 H new ATOM 868 N LEU A 55 -6.040 -1.311 -1.049 1.00 0.00 N ATOM 869 CA LEU A 55 -5.923 -2.608 -0.393 1.00 0.00 C ATOM 870 C LEU A 55 -6.619 -2.607 0.961 1.00 0.00 C ATOM 871 O LEU A 55 -6.777 -3.654 1.591 1.00 0.00 O ATOM 872 CB LEU A 55 -4.445 -2.980 -0.215 1.00 0.00 C ATOM 873 CG LEU A 55 -3.638 -3.144 -1.509 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.181 -3.425 -1.168 1.00 0.00 C ATOM 875 CD2 LEU A 55 -4.234 -4.272 -2.339 1.00 0.00 C ATOM 0 H LEU A 55 -5.260 -0.678 -0.872 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.410 -3.348 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.967 -2.213 0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.390 -3.913 0.346 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.682 -2.226 -2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.608 -3.541 -2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.776 -2.594 -0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.115 -4.341 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.661 -4.389 -3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.199 -5.201 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.269 -4.035 -2.584 1.00 0.00 H new ATOM 887 N ASN A 56 -7.035 -1.426 1.406 1.00 0.00 N ATOM 888 CA ASN A 56 -7.828 -1.301 2.622 1.00 0.00 C ATOM 889 C ASN A 56 -9.297 -1.609 2.357 1.00 0.00 C ATOM 890 O ASN A 56 -9.886 -2.475 3.002 1.00 0.00 O ATOM 891 CB ASN A 56 -7.673 0.085 3.222 1.00 0.00 C ATOM 892 CG ASN A 56 -8.373 0.224 4.545 1.00 0.00 C ATOM 893 OD1 ASN A 56 -8.034 -0.462 5.515 1.00 0.00 O ATOM 894 ND2 ASN A 56 -9.343 1.101 4.602 1.00 0.00 N ATOM 0 H ASN A 56 -6.835 -0.540 0.941 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.456 -2.032 3.340 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.613 0.304 3.351 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.069 0.824 2.526 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.854 1.240 5.474 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.588 1.645 3.775 1.00 0.00 H new ATOM 901 N ASP A 57 -9.882 -0.894 1.403 1.00 0.00 N ATOM 902 CA ASP A 57 -11.253 -1.157 0.980 1.00 0.00 C ATOM 903 C ASP A 57 -11.383 -2.544 0.365 1.00 0.00 C ATOM 904 O ASP A 57 -10.782 -2.834 -0.670 1.00 0.00 O ATOM 905 CB ASP A 57 -11.717 -0.101 -0.027 1.00 0.00 C ATOM 906 CG ASP A 57 -13.181 -0.255 -0.414 1.00 0.00 C ATOM 907 OD1 ASP A 57 -13.741 -1.291 -0.144 1.00 0.00 O ATOM 908 OD2 ASP A 57 -13.725 0.665 -0.976 1.00 0.00 O ATOM 0 H ASP A 57 -9.428 -0.127 0.907 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.886 -1.110 1.866 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.561 0.891 0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.101 -0.166 -0.924 1.00 0.00 H new ATOM 913 N PRO A 58 -12.170 -3.399 1.008 1.00 0.00 N ATOM 914 CA PRO A 58 -12.350 -4.771 0.546 1.00 0.00 C ATOM 915 C PRO A 58 -12.742 -4.810 -0.925 1.00 0.00 C ATOM 916 O PRO A 58 -12.345 -5.715 -1.659 1.00 0.00 O ATOM 917 CB PRO A 58 -13.476 -5.293 1.445 1.00 0.00 C ATOM 918 CG PRO A 58 -13.298 -4.547 2.723 1.00 0.00 C ATOM 919 CD PRO A 58 -12.893 -3.162 2.296 1.00 0.00 C ATOM 0 HA PRO A 58 -11.442 -5.371 0.611 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -14.456 -5.104 1.007 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -13.397 -6.369 1.598 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -14.220 -4.530 3.304 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.535 -5.009 3.349 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -13.758 -2.514 2.159 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.251 -2.684 3.036 1.00 0.00 H new ATOM 927 N GLN A 59 -13.523 -3.823 -1.350 1.00 0.00 N ATOM 928 CA GLN A 59 -13.986 -3.752 -2.732 1.00 0.00 C ATOM 929 C GLN A 59 -12.830 -3.473 -3.684 1.00 0.00 C ATOM 930 O GLN A 59 -12.569 -4.249 -4.603 1.00 0.00 O ATOM 931 CB GLN A 59 -15.061 -2.673 -2.883 1.00 0.00 C ATOM 932 CG GLN A 59 -15.685 -2.605 -4.266 1.00 0.00 C ATOM 933 CD GLN A 59 -16.489 -3.848 -4.599 1.00 0.00 C ATOM 934 OE1 GLN A 59 -17.343 -4.280 -3.819 1.00 0.00 O ATOM 935 NE2 GLN A 59 -16.222 -4.430 -5.762 1.00 0.00 N ATOM 0 H GLN A 59 -13.849 -3.060 -0.757 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.417 -4.720 -2.990 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -15.847 -2.854 -2.150 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -14.623 -1.704 -2.646 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -16.332 -1.730 -4.327 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -14.899 -2.473 -5.010 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -15.508 -4.039 -6.376 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -16.731 -5.268 -6.042 1.00 0.00 H new ATOM 944 N LYS A 60 -12.142 -2.358 -3.461 1.00 0.00 N ATOM 945 CA LYS A 60 -11.017 -1.971 -4.304 1.00 0.00 C ATOM 946 C LYS A 60 -9.908 -3.014 -4.257 1.00 0.00 C ATOM 947 O LYS A 60 -9.242 -3.272 -5.258 1.00 0.00 O ATOM 948 CB LYS A 60 -10.472 -0.607 -3.877 1.00 0.00 C ATOM 949 CG LYS A 60 -11.402 0.563 -4.174 1.00 0.00 C ATOM 950 CD LYS A 60 -10.801 1.879 -3.706 1.00 0.00 C ATOM 951 CE LYS A 60 -11.734 3.047 -3.988 1.00 0.00 C ATOM 952 NZ LYS A 60 -11.165 4.341 -3.522 1.00 0.00 N ATOM 0 H LYS A 60 -12.344 -1.706 -2.703 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.378 -1.903 -5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.267 -0.630 -2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.520 -0.436 -4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.599 0.611 -5.245 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.361 0.403 -3.681 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.594 1.826 -2.637 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.847 2.044 -4.207 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.932 3.103 -5.058 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.691 2.874 -3.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.933 4.958 -3.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.499 4.167 -2.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.665 4.803 -4.308 1.00 0.00 H new ATOM 966 N ARG A 61 -9.716 -3.613 -3.086 1.00 0.00 N ATOM 967 CA ARG A 61 -8.703 -4.648 -2.913 1.00 0.00 C ATOM 968 C ARG A 61 -8.961 -5.833 -3.833 1.00 0.00 C ATOM 969 O ARG A 61 -8.064 -6.289 -4.542 1.00 0.00 O ATOM 970 CB ARG A 61 -8.670 -5.128 -1.469 1.00 0.00 C ATOM 971 CG ARG A 61 -7.640 -6.207 -1.177 1.00 0.00 C ATOM 972 CD ARG A 61 -7.783 -6.744 0.200 1.00 0.00 C ATOM 973 NE ARG A 61 -9.130 -7.229 0.456 1.00 0.00 N ATOM 974 CZ ARG A 61 -9.658 -8.346 -0.084 1.00 0.00 C ATOM 975 NH1 ARG A 61 -8.940 -9.079 -0.906 1.00 0.00 N ATOM 976 NH2 ARG A 61 -10.895 -8.702 0.212 1.00 0.00 N ATOM 0 H ARG A 61 -10.249 -3.399 -2.243 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.740 -4.209 -3.171 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.473 -4.273 -0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.657 -5.507 -1.205 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.748 -7.018 -1.897 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.638 -5.798 -1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.071 -7.555 0.349 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.534 -5.965 0.921 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.717 -6.686 1.089 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.985 -8.802 -1.134 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.338 -9.924 -1.315 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.451 -8.132 0.849 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.294 -9.547 -0.197 1.00 0.00 H new ATOM 990 N GLU A 62 -10.194 -6.329 -3.818 1.00 0.00 N ATOM 991 CA GLU A 62 -10.580 -7.450 -4.667 1.00 0.00 C ATOM 992 C GLU A 62 -10.451 -7.094 -6.142 1.00 0.00 C ATOM 993 O GLU A 62 -10.025 -7.916 -6.954 1.00 0.00 O ATOM 994 CB GLU A 62 -12.015 -7.883 -4.360 1.00 0.00 C ATOM 995 CG GLU A 62 -12.175 -8.652 -3.055 1.00 0.00 C ATOM 996 CD GLU A 62 -11.535 -10.011 -3.095 1.00 0.00 C ATOM 997 OE1 GLU A 62 -11.462 -10.582 -4.157 1.00 0.00 O ATOM 998 OE2 GLU A 62 -11.118 -10.480 -2.062 1.00 0.00 O ATOM 0 H GLU A 62 -10.944 -5.972 -3.226 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.903 -8.277 -4.453 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.649 -6.997 -4.326 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.378 -8.503 -5.180 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.737 -8.073 -2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -13.236 -8.762 -2.832 1.00 0.00 H new ATOM 1005 N ILE A 63 -10.822 -5.864 -6.483 1.00 0.00 N ATOM 1006 CA ILE A 63 -10.696 -5.379 -7.852 1.00 0.00 C ATOM 1007 C ILE A 63 -9.243 -5.383 -8.308 1.00 0.00 C ATOM 1008 O ILE A 63 -8.933 -5.804 -9.422 1.00 0.00 O ATOM 1009 CB ILE A 63 -11.271 -3.957 -7.985 1.00 0.00 C ATOM 1010 CG1 ILE A 63 -12.790 -3.975 -7.796 1.00 0.00 C ATOM 1011 CG2 ILE A 63 -10.907 -3.359 -9.336 1.00 0.00 C ATOM 1012 CD1 ILE A 63 -13.401 -2.602 -7.626 1.00 0.00 C ATOM 0 H ILE A 63 -11.212 -5.185 -5.830 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.265 -6.056 -8.489 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.834 -3.333 -7.205 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.248 -4.462 -8.657 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.031 -4.580 -6.922 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.322 -2.354 -9.413 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.822 -3.312 -9.433 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.316 -3.982 -10.132 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -14.479 -2.697 -7.497 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -12.972 -2.119 -6.748 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.193 -1.999 -8.510 1.00 0.00 H new ATOM 1024 N TYR A 64 -8.354 -4.917 -7.438 1.00 0.00 N ATOM 1025 CA TYR A 64 -6.922 -4.949 -7.713 1.00 0.00 C ATOM 1026 C TYR A 64 -6.420 -6.379 -7.854 1.00 0.00 C ATOM 1027 O TYR A 64 -5.746 -6.717 -8.828 1.00 0.00 O ATOM 1028 CB TYR A 64 -6.149 -4.221 -6.610 1.00 0.00 C ATOM 1029 CG TYR A 64 -4.647 -4.294 -6.768 1.00 0.00 C ATOM 1030 CD1 TYR A 64 -4.017 -3.558 -7.761 1.00 0.00 C ATOM 1031 CD2 TYR A 64 -3.899 -5.098 -5.921 1.00 0.00 C ATOM 1032 CE1 TYR A 64 -2.645 -3.625 -7.907 1.00 0.00 C ATOM 1033 CE2 TYR A 64 -2.526 -5.165 -6.067 1.00 0.00 C ATOM 1034 CZ TYR A 64 -1.900 -4.432 -7.054 1.00 0.00 C ATOM 1035 OH TYR A 64 -0.533 -4.499 -7.198 1.00 0.00 O ATOM 0 H TYR A 64 -8.600 -4.512 -6.535 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.751 -4.436 -8.660 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.453 -3.174 -6.596 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.425 -4.646 -5.645 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.600 -2.932 -8.421 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.389 -5.671 -5.148 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.153 -3.053 -8.680 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.943 -5.791 -5.408 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.291 -4.294 -8.125 1.00 0.00 H new ATOM 1045 N ASP A 65 -6.751 -7.217 -6.878 1.00 0.00 N ATOM 1046 CA ASP A 65 -6.254 -8.587 -6.841 1.00 0.00 C ATOM 1047 C ASP A 65 -6.710 -9.371 -8.066 1.00 0.00 C ATOM 1048 O ASP A 65 -5.974 -10.208 -8.588 1.00 0.00 O ATOM 1049 CB ASP A 65 -6.727 -9.295 -5.569 1.00 0.00 C ATOM 1050 CG ASP A 65 -6.106 -8.719 -4.304 1.00 0.00 C ATOM 1051 OD1 ASP A 65 -5.130 -8.013 -4.413 1.00 0.00 O ATOM 1052 OD2 ASP A 65 -6.612 -8.987 -3.241 1.00 0.00 O ATOM 0 H ASP A 65 -7.363 -6.971 -6.100 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.165 -8.544 -6.843 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.812 -9.222 -5.501 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.483 -10.355 -5.637 1.00 0.00 H new ATOM 1057 N GLN A 66 -7.929 -9.096 -8.518 1.00 0.00 N ATOM 1058 CA GLN A 66 -8.534 -9.860 -9.602 1.00 0.00 C ATOM 1059 C GLN A 66 -8.156 -9.282 -10.961 1.00 0.00 C ATOM 1060 O GLN A 66 -7.875 -10.023 -11.904 1.00 0.00 O ATOM 1061 CB GLN A 66 -10.057 -9.889 -9.452 1.00 0.00 C ATOM 1062 CG GLN A 66 -10.549 -10.690 -8.258 1.00 0.00 C ATOM 1063 CD GLN A 66 -12.060 -10.656 -8.122 1.00 0.00 C ATOM 1064 OE1 GLN A 66 -12.788 -10.669 -9.120 1.00 0.00 O ATOM 1065 NE2 GLN A 66 -12.540 -10.612 -6.885 1.00 0.00 N ATOM 0 H GLN A 66 -8.518 -8.349 -8.150 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.151 -10.879 -9.545 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -10.422 -8.866 -9.364 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.493 -10.306 -10.360 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -10.219 -11.724 -8.357 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.096 -10.296 -7.348 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.901 -10.603 -6.090 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.548 -10.587 -6.730 1.00 0.00 H new ATOM 1074 N TYR A 67 -8.153 -7.958 -11.054 1.00 0.00 N ATOM 1075 CA TYR A 67 -8.113 -7.280 -12.345 1.00 0.00 C ATOM 1076 C TYR A 67 -6.840 -6.456 -12.495 1.00 0.00 C ATOM 1077 O TYR A 67 -6.182 -6.496 -13.536 1.00 0.00 O ATOM 1078 CB TYR A 67 -9.345 -6.390 -12.521 1.00 0.00 C ATOM 1079 CG TYR A 67 -10.657 -7.128 -12.368 1.00 0.00 C ATOM 1080 CD1 TYR A 67 -11.009 -8.114 -13.277 1.00 0.00 C ATOM 1081 CD2 TYR A 67 -11.507 -6.817 -11.315 1.00 0.00 C ATOM 1082 CE1 TYR A 67 -12.208 -8.787 -13.135 1.00 0.00 C ATOM 1083 CE2 TYR A 67 -12.704 -7.489 -11.174 1.00 0.00 C ATOM 1084 CZ TYR A 67 -13.056 -8.471 -12.080 1.00 0.00 C ATOM 1085 OH TYR A 67 -14.249 -9.141 -11.939 1.00 0.00 O ATOM 0 H TYR A 67 -8.178 -7.331 -10.250 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.116 -8.043 -13.124 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -9.306 -5.582 -11.790 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -9.311 -5.929 -13.508 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.347 -8.356 -14.095 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -11.231 -6.050 -10.607 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -12.485 -9.556 -13.841 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.366 -7.247 -10.355 1.00 0.00 H new ATOM 0 HH TYR A 67 -14.723 -8.802 -11.151 1.00 0.00 H new ATOM 1095 N GLY A 68 -6.498 -5.710 -11.451 1.00 0.00 N ATOM 1096 CA GLY A 68 -5.232 -4.987 -11.408 1.00 0.00 C ATOM 1097 C GLY A 68 -5.446 -3.525 -11.036 1.00 0.00 C ATOM 1098 O GLY A 68 -6.564 -3.109 -10.735 1.00 0.00 O ATOM 0 H GLY A 68 -7.080 -5.590 -10.622 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.567 -5.456 -10.683 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.741 -5.050 -12.379 1.00 0.00 H new ATOM 1102 N LEU A 69 -4.367 -2.751 -11.059 1.00 0.00 N ATOM 1103 CA LEU A 69 -4.399 -1.377 -10.571 1.00 0.00 C ATOM 1104 C LEU A 69 -5.322 -0.513 -11.420 1.00 0.00 C ATOM 1105 O LEU A 69 -6.136 0.245 -10.893 1.00 0.00 O ATOM 1106 CB LEU A 69 -2.986 -0.780 -10.573 1.00 0.00 C ATOM 1107 CG LEU A 69 -2.878 0.675 -10.101 1.00 0.00 C ATOM 1108 CD1 LEU A 69 -3.412 0.790 -8.679 1.00 0.00 C ATOM 1109 CD2 LEU A 69 -1.427 1.127 -10.178 1.00 0.00 C ATOM 0 H LEU A 69 -3.458 -3.052 -11.411 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.784 -1.393 -9.551 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.350 -1.397 -9.938 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.585 -0.845 -11.585 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.475 1.321 -10.745 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.335 1.824 -8.344 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.456 0.478 -8.656 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.827 0.150 -8.018 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.350 2.161 -9.843 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.814 0.492 -9.539 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.077 1.052 -11.208 1.00 0.00 H new ATOM 1121 N GLU A 70 -5.191 -0.633 -12.736 1.00 0.00 N ATOM 1122 CA GLU A 70 -6.012 0.141 -13.661 1.00 0.00 C ATOM 1123 C GLU A 70 -7.491 0.025 -13.314 1.00 0.00 C ATOM 1124 O GLU A 70 -8.203 1.027 -13.246 1.00 0.00 O ATOM 1125 CB GLU A 70 -5.778 -0.325 -15.099 1.00 0.00 C ATOM 1126 CG GLU A 70 -6.567 0.447 -16.148 1.00 0.00 C ATOM 1127 CD GLU A 70 -6.296 -0.023 -17.548 1.00 0.00 C ATOM 1128 OE1 GLU A 70 -5.506 -0.922 -17.711 1.00 0.00 O ATOM 1129 OE2 GLU A 70 -6.879 0.517 -18.458 1.00 0.00 O ATOM 0 H GLU A 70 -4.524 -1.259 -13.187 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.719 1.187 -13.571 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.715 -0.241 -15.327 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.037 -1.381 -15.172 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.632 0.350 -15.938 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.322 1.506 -16.072 1.00 0.00 H new ATOM 1136 N ALA A 71 -7.947 -1.203 -13.093 1.00 0.00 N ATOM 1137 CA ALA A 71 -9.335 -1.450 -12.718 1.00 0.00 C ATOM 1138 C ALA A 71 -9.646 -0.866 -11.348 1.00 0.00 C ATOM 1139 O ALA A 71 -10.726 -0.316 -11.126 1.00 0.00 O ATOM 1140 CB ALA A 71 -9.632 -2.942 -12.739 1.00 0.00 C ATOM 0 H ALA A 71 -7.375 -2.044 -13.167 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.975 -0.954 -13.448 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.671 -3.110 -12.457 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.460 -3.333 -13.742 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.977 -3.453 -12.033 1.00 0.00 H new ATOM 1146 N ALA A 72 -8.696 -0.988 -10.427 1.00 0.00 N ATOM 1147 CA ALA A 72 -8.862 -0.463 -9.077 1.00 0.00 C ATOM 1148 C ALA A 72 -9.006 1.055 -9.092 1.00 0.00 C ATOM 1149 O ALA A 72 -9.773 1.622 -8.315 1.00 0.00 O ATOM 1150 CB ALA A 72 -7.690 -0.874 -8.200 1.00 0.00 C ATOM 0 H ALA A 72 -7.800 -1.447 -10.592 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.777 -0.886 -8.661 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.829 -0.474 -7.196 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.635 -1.962 -8.153 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.765 -0.481 -8.622 1.00 0.00 H new ATOM 1156 N ARG A 73 -8.263 1.705 -9.981 1.00 0.00 N ATOM 1157 CA ARG A 73 -8.330 3.155 -10.122 1.00 0.00 C ATOM 1158 C ARG A 73 -9.661 3.588 -10.724 1.00 0.00 C ATOM 1159 O ARG A 73 -10.228 4.609 -10.332 1.00 0.00 O ATOM 1160 CB ARG A 73 -7.191 3.663 -10.993 1.00 0.00 C ATOM 1161 CG ARG A 73 -5.817 3.607 -10.348 1.00 0.00 C ATOM 1162 CD ARG A 73 -4.770 4.181 -11.231 1.00 0.00 C ATOM 1163 NE ARG A 73 -3.456 4.146 -10.610 1.00 0.00 N ATOM 1164 CZ ARG A 73 -3.023 5.028 -9.689 1.00 0.00 C ATOM 1165 NH1 ARG A 73 -3.808 6.006 -9.293 1.00 0.00 N ATOM 1166 NH2 ARG A 73 -1.807 4.912 -9.182 1.00 0.00 N ATOM 0 H ARG A 73 -7.607 1.250 -10.616 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.240 3.586 -9.125 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.168 3.079 -11.913 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -7.402 4.694 -11.276 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.836 4.152 -9.404 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.567 2.572 -10.113 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.743 3.627 -12.169 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.028 5.211 -11.477 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.818 3.402 -10.891 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.746 6.097 -9.683 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.479 6.673 -8.595 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.197 4.154 -9.489 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.479 5.580 -8.484 1.00 0.00 H new ATOM 1180 N SER A 74 -10.153 2.808 -11.679 1.00 0.00 N ATOM 1181 CA SER A 74 -11.441 3.085 -12.306 1.00 0.00 C ATOM 1182 C SER A 74 -12.593 2.652 -11.412 1.00 0.00 C ATOM 1183 O SER A 74 -13.708 3.161 -11.529 1.00 0.00 O ATOM 1184 CB SER A 74 -11.532 2.377 -13.644 1.00 0.00 C ATOM 1185 OG SER A 74 -11.572 0.987 -13.475 1.00 0.00 O ATOM 0 H SER A 74 -9.680 1.978 -12.037 1.00 0.00 H new ATOM 0 HA SER A 74 -11.516 4.161 -12.461 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.425 2.708 -14.175 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.675 2.647 -14.261 1.00 0.00 H new ATOM 0 HG SER A 74 -12.335 0.619 -13.968 1.00 0.00 H new ATOM 1191 N GLY A 75 -12.320 1.709 -10.517 1.00 0.00 N ATOM 1192 CA GLY A 75 -13.338 1.192 -9.612 1.00 0.00 C ATOM 1193 C GLY A 75 -14.251 0.197 -10.317 1.00 0.00 C ATOM 1194 O GLY A 75 -15.440 0.109 -10.015 1.00 0.00 O ATOM 0 H GLY A 75 -11.399 1.286 -10.399 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.859 0.709 -8.760 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.931 2.018 -9.218 1.00 0.00 H new ATOM 1198 N GLY A 76 -13.686 -0.550 -11.259 1.00 0.00 N ATOM 1199 CA GLY A 76 -14.468 -1.464 -12.084 1.00 0.00 C ATOM 1200 C GLY A 76 -14.738 -0.867 -13.459 1.00 0.00 C ATOM 1201 O GLY A 76 -13.929 -0.104 -13.986 1.00 0.00 O ATOM 0 H GLY A 76 -12.688 -0.541 -11.471 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.934 -2.408 -12.193 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.413 -1.687 -11.589 1.00 0.00 H new ATOM 1205 N PRO A 77 -15.882 -1.220 -14.037 1.00 0.00 N ATOM 1206 CA PRO A 77 -16.810 -2.146 -13.397 1.00 0.00 C ATOM 1207 C PRO A 77 -16.177 -3.520 -13.214 1.00 0.00 C ATOM 1208 O PRO A 77 -15.276 -3.904 -13.960 1.00 0.00 O ATOM 1209 CB PRO A 77 -17.984 -2.192 -14.380 1.00 0.00 C ATOM 1210 CG PRO A 77 -17.856 -0.928 -15.161 1.00 0.00 C ATOM 1211 CD PRO A 77 -16.371 -0.723 -15.302 1.00 0.00 C ATOM 0 HA PRO A 77 -17.107 -1.836 -12.395 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -17.928 -3.067 -15.027 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -18.939 -2.243 -13.858 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -18.340 -1.012 -16.134 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -18.325 -0.092 -14.643 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -15.960 -1.278 -16.146 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -16.116 0.326 -15.455 1.00 0.00 H new ATOM 1219 N SER A 78 -16.656 -4.259 -12.218 1.00 0.00 N ATOM 1220 CA SER A 78 -16.237 -5.640 -12.019 1.00 0.00 C ATOM 1221 C SER A 78 -16.862 -6.561 -13.058 1.00 0.00 C ATOM 1222 O SER A 78 -17.858 -6.213 -13.692 1.00 0.00 O ATOM 1223 CB SER A 78 -16.614 -6.104 -10.626 1.00 0.00 C ATOM 1224 OG SER A 78 -18.006 -6.201 -10.488 1.00 0.00 O ATOM 0 H SER A 78 -17.336 -3.923 -11.536 1.00 0.00 H new ATOM 0 HA SER A 78 -15.154 -5.682 -12.133 1.00 0.00 H new ATOM 0 HB2 SER A 78 -16.157 -7.073 -10.425 1.00 0.00 H new ATOM 0 HB3 SER A 78 -16.220 -5.406 -9.887 1.00 0.00 H new ATOM 0 HG SER A 78 -18.225 -6.504 -9.582 1.00 0.00 H new ATOM 1230 N PHE A 79 -16.273 -7.740 -13.228 1.00 0.00 N ATOM 1231 CA PHE A 79 -16.704 -8.670 -14.263 1.00 0.00 C ATOM 1232 C PHE A 79 -16.920 -10.067 -13.695 1.00 0.00 C ATOM 1233 O PHE A 79 -16.837 -11.061 -14.417 1.00 0.00 O ATOM 1234 CB PHE A 79 -15.676 -8.727 -15.394 1.00 0.00 C ATOM 1235 CG PHE A 79 -15.382 -7.392 -16.016 1.00 0.00 C ATOM 1236 CD1 PHE A 79 -14.179 -6.746 -15.772 1.00 0.00 C ATOM 1237 CD2 PHE A 79 -16.309 -6.777 -16.843 1.00 0.00 C ATOM 1238 CE1 PHE A 79 -13.910 -5.517 -16.344 1.00 0.00 C ATOM 1239 CE2 PHE A 79 -16.041 -5.550 -17.417 1.00 0.00 C ATOM 1240 CZ PHE A 79 -14.840 -4.918 -17.167 1.00 0.00 C ATOM 0 H PHE A 79 -15.494 -8.074 -12.660 1.00 0.00 H new ATOM 0 HA PHE A 79 -17.653 -8.307 -14.658 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -14.748 -9.149 -15.008 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -16.038 -9.405 -16.167 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.445 -7.208 -15.128 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -17.253 -7.264 -17.041 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -12.969 -5.025 -16.146 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -16.772 -5.085 -18.062 1.00 0.00 H new ATOM 0 HZ PHE A 79 -14.629 -3.958 -17.614 1.00 0.00 H new ATOM 1250 N GLY A 80 -17.198 -10.135 -12.398 1.00 0.00 N ATOM 1251 CA GLY A 80 -17.432 -11.411 -11.731 1.00 0.00 C ATOM 1252 C GLY A 80 -18.920 -11.722 -11.643 1.00 0.00 C ATOM 1253 O GLY A 80 -19.731 -11.132 -12.358 1.00 0.00 O ATOM 0 H GLY A 80 -17.267 -9.321 -11.787 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -16.923 -12.207 -12.274 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.004 -11.385 -10.729 1.00 0.00 H new ATOM 1257 N PRO A 81 -19.275 -12.650 -10.762 1.00 0.00 N ATOM 1258 CA PRO A 81 -20.668 -13.032 -10.569 1.00 0.00 C ATOM 1259 C PRO A 81 -21.522 -11.829 -10.191 1.00 0.00 C ATOM 1260 O PRO A 81 -21.898 -11.069 -11.040 1.00 0.00 O ATOM 1261 CB PRO A 81 -20.591 -14.052 -9.429 1.00 0.00 C ATOM 1262 CG PRO A 81 -19.219 -14.620 -9.538 1.00 0.00 C ATOM 1263 CD PRO A 81 -18.359 -13.450 -9.933 1.00 0.00 C ATOM 1264 OXT PRO A 81 -21.819 -11.641 -9.043 1.00 0.00 O ATOM 0 HA PRO A 81 -21.134 -13.436 -11.468 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -20.750 -13.579 -8.460 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -21.352 -14.825 -9.535 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -18.892 -15.052 -8.592 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -19.176 -15.414 -10.283 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -18.006 -12.894 -9.065 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -17.476 -13.764 -10.490 1.00 0.00 H new TER 1272 PRO A 81