USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 819 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 48 TYR OH : rot 35:sc= 0.677 USER MOD Set 1.2: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 45 TYR OH : rot 128:sc= 0.819 USER MOD Set 2.2: A 61 LYS NZ :NH3+ 161:sc= 0.376 (180deg=0.261) USER MOD Set 3.1: A 31 TYR OH : rot 180:sc= -1.53 USER MOD Set 3.2: A 36 ASN : amide:sc= -2.69 K(o=-4.2,f=-7.9!) USER MOD Set 4.1: A 17 THR OG1 : rot 160:sc=-0.00114 USER MOD Set 4.2: A 101 MET CE :methyl -151:sc= -0.0795 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.0193 (180deg=0) USER MOD Single : A 2 SER OG : rot -55:sc= 0.355 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 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.67 K(o=-1.7,f=-4.2!) USER MOD Single : A 23 THR OG1 : rot -72:sc= 0.327 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 152:sc= -1.59 (180deg=-2.62!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -111:sc= -0.0316 (180deg=-3.8!) USER MOD Single : A 35 SER OG : rot -51:sc= 1.04 USER MOD Single : A 37 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.7!) USER MOD Single : A 38 ASN : amide:sc= -0.0332 K(o=-0.033,f=-0.74) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.388 USER MOD Single : A 42 HIS : no HD1:sc= -0.0485 X(o=-0.049,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.362 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -70:sc= -0.911 USER MOD Single : A 55 ASN : amide:sc= -1.21 K(o=-1.2,f=-2) USER MOD Single : A 57 SER OG : rot -19:sc= 0.0253 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 130:sc= -0.0103 USER MOD Single : A 71 HIS : no HD1:sc= -0.0862 X(o=-0.086,f=-0.056) USER MOD Single : A 72 SER OG : rot 40:sc= 0.601 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.0586 X(o=-0.059,f=0) USER MOD Single : A 77 GLN : amide:sc= -2.94! C(o=-2.9!,f=-2.2!) USER MOD Single : A 80 THR OG1 : rot 9:sc= -0.378 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 173:sc= -5.36! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -148:sc= -1.25 (180deg=-4.49!) USER MOD Single : A 87 GLN : amide:sc= -15! C(o=-15!,f=-10!) USER MOD Single : A 88 CYS SG : rot 180:sc= -2.42 USER MOD Single : A 90 ASN : amide:sc= -4.45! C(o=-4.5!,f=-7.5!) USER MOD Single : A 95 SER OG : rot 160:sc= -0.0232 USER MOD Single : A 98 SER OG : rot 170:sc= 0.107 USER MOD Single : A 99 ASN : amide:sc= -0.968 K(o=-0.97,f=1.4) USER MOD Single : A 103 CYS SG : rot 180:sc= -0.2 USER MOD Single : A 105 THR OG1 : rot 166:sc= 2.13 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 31:sc= 0.244 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 4:sc= 0.34 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.300 17.670 -23.594 1.00 0.00 N ATOM 2 CA GLY A 1 16.314 16.618 -23.758 1.00 0.00 C ATOM 3 C GLY A 1 15.002 16.940 -23.069 1.00 0.00 C ATOM 4 O GLY A 1 14.590 18.098 -23.015 1.00 0.00 O ATOM 0 H1 GLY A 1 17.773 17.848 -24.503 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.829 18.540 -23.273 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.006 17.377 -22.888 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.133 16.457 -24.821 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.712 15.686 -23.357 1.00 0.00 H new ATOM 8 N SER A 2 14.344 15.912 -22.543 1.00 0.00 N ATOM 9 CA SER A 2 13.069 16.090 -21.859 1.00 0.00 C ATOM 10 C SER A 2 13.128 15.526 -20.442 1.00 0.00 C ATOM 11 O SER A 2 12.184 14.889 -19.976 1.00 0.00 O ATOM 12 CB SER A 2 11.946 15.410 -22.644 1.00 0.00 C ATOM 13 OG SER A 2 10.675 15.766 -22.128 1.00 0.00 O ATOM 0 H SER A 2 14.673 14.947 -22.578 1.00 0.00 H new ATOM 0 HA SER A 2 12.865 17.159 -21.797 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.008 15.695 -23.694 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.070 14.328 -22.599 1.00 0.00 H new ATOM 0 HG SER A 2 10.643 15.566 -21.169 1.00 0.00 H new ATOM 19 N SER A 3 14.245 15.766 -19.763 1.00 0.00 N ATOM 20 CA SER A 3 14.431 15.280 -18.401 1.00 0.00 C ATOM 21 C SER A 3 14.908 16.402 -17.484 1.00 0.00 C ATOM 22 O SER A 3 15.389 17.435 -17.947 1.00 0.00 O ATOM 23 CB SER A 3 15.438 14.127 -18.381 1.00 0.00 C ATOM 24 OG SER A 3 14.793 12.884 -18.598 1.00 0.00 O ATOM 0 H SER A 3 15.035 16.294 -20.134 1.00 0.00 H new ATOM 0 HA SER A 3 13.469 14.920 -18.036 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.194 14.287 -19.149 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.956 14.109 -17.422 1.00 0.00 H new ATOM 0 HG SER A 3 15.457 12.164 -18.582 1.00 0.00 H new ATOM 30 N GLY A 4 14.769 16.190 -16.179 1.00 0.00 N ATOM 31 CA GLY A 4 15.189 17.191 -15.216 1.00 0.00 C ATOM 32 C GLY A 4 15.652 16.580 -13.908 1.00 0.00 C ATOM 33 O GLY A 4 16.234 15.495 -13.894 1.00 0.00 O ATOM 0 H GLY A 4 14.373 15.343 -15.772 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.998 17.784 -15.643 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.362 17.873 -15.022 1.00 0.00 H new ATOM 37 N SER A 5 15.394 17.278 -12.807 1.00 0.00 N ATOM 38 CA SER A 5 15.793 16.800 -11.488 1.00 0.00 C ATOM 39 C SER A 5 15.337 15.360 -11.271 1.00 0.00 C ATOM 40 O SER A 5 14.621 14.793 -12.096 1.00 0.00 O ATOM 41 CB SER A 5 15.210 17.701 -10.398 1.00 0.00 C ATOM 42 OG SER A 5 13.801 17.799 -10.516 1.00 0.00 O ATOM 0 H SER A 5 14.911 18.176 -12.802 1.00 0.00 H new ATOM 0 HA SER A 5 16.881 16.831 -11.431 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.469 17.304 -9.417 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.654 18.694 -10.467 1.00 0.00 H new ATOM 0 HG SER A 5 13.453 18.379 -9.807 1.00 0.00 H new ATOM 48 N SER A 6 15.757 14.774 -10.154 1.00 0.00 N ATOM 49 CA SER A 6 15.396 13.400 -9.829 1.00 0.00 C ATOM 50 C SER A 6 14.506 13.350 -8.591 1.00 0.00 C ATOM 51 O SER A 6 14.968 13.570 -7.472 1.00 0.00 O ATOM 52 CB SER A 6 16.655 12.560 -9.601 1.00 0.00 C ATOM 53 OG SER A 6 16.409 11.190 -9.869 1.00 0.00 O ATOM 0 H SER A 6 16.348 15.230 -9.459 1.00 0.00 H new ATOM 0 HA SER A 6 14.840 12.988 -10.671 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.458 12.921 -10.243 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.993 12.678 -8.571 1.00 0.00 H new ATOM 0 HG SER A 6 17.229 10.675 -9.718 1.00 0.00 H new ATOM 59 N GLY A 7 13.226 13.059 -8.801 1.00 0.00 N ATOM 60 CA GLY A 7 12.291 12.986 -7.694 1.00 0.00 C ATOM 61 C GLY A 7 12.717 11.983 -6.640 1.00 0.00 C ATOM 62 O GLY A 7 13.875 11.568 -6.581 1.00 0.00 O ATOM 0 H GLY A 7 12.820 12.873 -9.718 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.197 13.971 -7.237 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.305 12.714 -8.072 1.00 0.00 H new ATOM 66 N PRO A 8 11.768 11.580 -5.782 1.00 0.00 N ATOM 67 CA PRO A 8 12.029 10.616 -4.709 1.00 0.00 C ATOM 68 C PRO A 8 12.282 9.210 -5.242 1.00 0.00 C ATOM 69 O PRO A 8 11.648 8.776 -6.203 1.00 0.00 O ATOM 70 CB PRO A 8 10.741 10.651 -3.882 1.00 0.00 C ATOM 71 CG PRO A 8 9.688 11.094 -4.837 1.00 0.00 C ATOM 72 CD PRO A 8 10.367 12.034 -5.795 1.00 0.00 C ATOM 0 HA PRO A 8 12.924 10.869 -4.141 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.511 9.670 -3.467 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.829 11.340 -3.042 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.257 10.243 -5.365 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.871 11.592 -4.314 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.934 11.973 -6.793 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.278 13.071 -5.472 1.00 0.00 H new ATOM 80 N VAL A 9 13.213 8.502 -4.610 1.00 0.00 N ATOM 81 CA VAL A 9 13.549 7.144 -5.019 1.00 0.00 C ATOM 82 C VAL A 9 13.526 6.190 -3.830 1.00 0.00 C ATOM 83 O VAL A 9 13.110 5.038 -3.954 1.00 0.00 O ATOM 84 CB VAL A 9 14.938 7.085 -5.684 1.00 0.00 C ATOM 85 CG1 VAL A 9 14.906 7.758 -7.048 1.00 0.00 C ATOM 86 CG2 VAL A 9 15.984 7.729 -4.787 1.00 0.00 C ATOM 0 H VAL A 9 13.748 8.847 -3.813 1.00 0.00 H new ATOM 0 HA VAL A 9 12.794 6.836 -5.743 1.00 0.00 H new ATOM 0 HB VAL A 9 15.209 6.039 -5.828 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.895 7.707 -7.502 1.00 0.00 H new ATOM 0 HG12 VAL A 9 14.186 7.249 -7.688 1.00 0.00 H new ATOM 0 HG13 VAL A 9 14.614 8.802 -6.932 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.959 7.679 -5.271 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.720 8.772 -4.610 1.00 0.00 H new ATOM 0 HG23 VAL A 9 16.024 7.199 -3.836 1.00 0.00 H new ATOM 96 N ALA A 10 13.976 6.677 -2.679 1.00 0.00 N ATOM 97 CA ALA A 10 14.005 5.869 -1.466 1.00 0.00 C ATOM 98 C ALA A 10 12.709 5.082 -1.300 1.00 0.00 C ATOM 99 O ALA A 10 12.723 3.922 -0.891 1.00 0.00 O ATOM 100 CB ALA A 10 14.249 6.750 -0.250 1.00 0.00 C ATOM 0 H ALA A 10 14.326 7.628 -2.561 1.00 0.00 H new ATOM 0 HA ALA A 10 14.824 5.156 -1.554 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.268 6.133 0.648 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.205 7.263 -0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.449 7.486 -0.168 1.00 0.00 H new ATOM 106 N GLY A 11 11.588 5.722 -1.620 1.00 0.00 N ATOM 107 CA GLY A 11 10.299 5.067 -1.499 1.00 0.00 C ATOM 108 C GLY A 11 10.003 4.629 -0.078 1.00 0.00 C ATOM 109 O GLY A 11 10.904 4.291 0.690 1.00 0.00 O ATOM 0 H GLY A 11 11.550 6.683 -1.961 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.516 5.746 -1.837 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.273 4.198 -2.157 1.00 0.00 H new ATOM 113 N PRO A 12 8.713 4.632 0.290 1.00 0.00 N ATOM 114 CA PRO A 12 8.272 4.235 1.630 1.00 0.00 C ATOM 115 C PRO A 12 8.440 2.740 1.877 1.00 0.00 C ATOM 116 O PRO A 12 8.591 1.959 0.937 1.00 0.00 O ATOM 117 CB PRO A 12 6.789 4.616 1.642 1.00 0.00 C ATOM 118 CG PRO A 12 6.380 4.589 0.210 1.00 0.00 C ATOM 119 CD PRO A 12 7.587 5.023 -0.574 1.00 0.00 C ATOM 0 HA PRO A 12 8.857 4.719 2.412 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.204 3.912 2.234 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.637 5.603 2.079 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.061 3.590 -0.086 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.538 5.258 0.032 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.635 4.529 -1.545 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.579 6.097 -0.763 1.00 0.00 H new ATOM 127 N TYR A 13 8.412 2.348 3.146 1.00 0.00 N ATOM 128 CA TYR A 13 8.563 0.945 3.516 1.00 0.00 C ATOM 129 C TYR A 13 7.530 0.544 4.564 1.00 0.00 C ATOM 130 O TYR A 13 7.537 1.051 5.685 1.00 0.00 O ATOM 131 CB TYR A 13 9.973 0.686 4.049 1.00 0.00 C ATOM 132 CG TYR A 13 10.073 -0.541 4.927 1.00 0.00 C ATOM 133 CD1 TYR A 13 9.768 -1.801 4.430 1.00 0.00 C ATOM 134 CD2 TYR A 13 10.470 -0.439 6.255 1.00 0.00 C ATOM 135 CE1 TYR A 13 9.856 -2.925 5.228 1.00 0.00 C ATOM 136 CE2 TYR A 13 10.563 -1.557 7.060 1.00 0.00 C ATOM 137 CZ TYR A 13 10.255 -2.798 6.543 1.00 0.00 C ATOM 138 OH TYR A 13 10.345 -3.914 7.342 1.00 0.00 O ATOM 0 H TYR A 13 8.286 2.981 3.936 1.00 0.00 H new ATOM 0 HA TYR A 13 8.402 0.341 2.623 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.656 0.576 3.207 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.303 1.556 4.616 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.456 -1.904 3.401 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.710 0.531 6.664 1.00 0.00 H new ATOM 0 HE1 TYR A 13 9.614 -3.897 4.825 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.875 -1.460 8.089 1.00 0.00 H new ATOM 0 HH TYR A 13 10.641 -3.651 8.239 1.00 0.00 H new ATOM 148 N ILE A 14 6.642 -0.371 4.189 1.00 0.00 N ATOM 149 CA ILE A 14 5.603 -0.843 5.095 1.00 0.00 C ATOM 150 C ILE A 14 6.206 -1.561 6.297 1.00 0.00 C ATOM 151 O ILE A 14 7.019 -2.474 6.146 1.00 0.00 O ATOM 152 CB ILE A 14 4.623 -1.793 4.382 1.00 0.00 C ATOM 153 CG1 ILE A 14 4.119 -1.161 3.083 1.00 0.00 C ATOM 154 CG2 ILE A 14 3.456 -2.135 5.298 1.00 0.00 C ATOM 155 CD1 ILE A 14 3.782 -2.173 2.010 1.00 0.00 C ATOM 0 H ILE A 14 6.622 -0.800 3.264 1.00 0.00 H new ATOM 0 HA ILE A 14 5.059 0.038 5.437 1.00 0.00 H new ATOM 0 HB ILE A 14 5.149 -2.715 4.135 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.233 -0.564 3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.879 -0.479 2.702 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.772 -2.807 4.780 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.831 -2.622 6.198 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.929 -1.221 5.572 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.431 -1.654 1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.671 -2.754 1.766 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.000 -2.841 2.372 1.00 0.00 H new ATOM 167 N THR A 15 5.803 -1.144 7.493 1.00 0.00 N ATOM 168 CA THR A 15 6.302 -1.748 8.722 1.00 0.00 C ATOM 169 C THR A 15 5.162 -2.319 9.558 1.00 0.00 C ATOM 170 O THR A 15 5.389 -2.907 10.615 1.00 0.00 O ATOM 171 CB THR A 15 7.085 -0.728 9.571 1.00 0.00 C ATOM 172 OG1 THR A 15 6.180 0.045 10.367 1.00 0.00 O ATOM 173 CG2 THR A 15 7.906 0.197 8.685 1.00 0.00 C ATOM 0 H THR A 15 5.132 -0.390 7.637 1.00 0.00 H new ATOM 0 HA THR A 15 6.972 -2.556 8.427 1.00 0.00 H new ATOM 0 HB THR A 15 7.764 -1.277 10.224 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.686 0.690 10.905 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.450 0.908 9.307 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.615 -0.392 8.102 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.243 0.738 8.010 1.00 0.00 H new ATOM 181 N PHE A 16 3.936 -2.143 9.076 1.00 0.00 N ATOM 182 CA PHE A 16 2.760 -2.641 9.780 1.00 0.00 C ATOM 183 C PHE A 16 1.679 -3.073 8.793 1.00 0.00 C ATOM 184 O PHE A 16 1.299 -2.317 7.899 1.00 0.00 O ATOM 185 CB PHE A 16 2.209 -1.566 10.719 1.00 0.00 C ATOM 186 CG PHE A 16 1.227 -2.096 11.725 1.00 0.00 C ATOM 187 CD1 PHE A 16 1.662 -2.830 12.817 1.00 0.00 C ATOM 188 CD2 PHE A 16 -0.130 -1.860 11.580 1.00 0.00 C ATOM 189 CE1 PHE A 16 0.762 -3.319 13.745 1.00 0.00 C ATOM 190 CE2 PHE A 16 -1.035 -2.345 12.505 1.00 0.00 C ATOM 191 CZ PHE A 16 -0.588 -3.077 13.588 1.00 0.00 C ATOM 0 H PHE A 16 3.731 -1.660 8.201 1.00 0.00 H new ATOM 0 HA PHE A 16 3.059 -3.509 10.368 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.039 -1.095 11.246 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.726 -0.789 10.126 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.717 -3.022 12.944 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.485 -1.290 10.734 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.114 -3.890 14.592 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.090 -2.152 12.381 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.294 -3.459 14.311 1.00 0.00 H new ATOM 201 N THR A 17 1.187 -4.297 8.962 1.00 0.00 N ATOM 202 CA THR A 17 0.152 -4.832 8.087 1.00 0.00 C ATOM 203 C THR A 17 -0.831 -5.700 8.865 1.00 0.00 C ATOM 204 O THR A 17 -0.484 -6.789 9.322 1.00 0.00 O ATOM 205 CB THR A 17 0.759 -5.664 6.942 1.00 0.00 C ATOM 206 OG1 THR A 17 1.938 -6.337 7.397 1.00 0.00 O ATOM 207 CG2 THR A 17 1.102 -4.779 5.753 1.00 0.00 C ATOM 0 H THR A 17 1.489 -4.936 9.697 1.00 0.00 H new ATOM 0 HA THR A 17 -0.377 -3.978 7.664 1.00 0.00 H new ATOM 0 HB THR A 17 0.020 -6.400 6.626 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.135 -7.090 6.802 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.529 -5.389 4.957 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.198 -4.290 5.390 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.825 -4.023 6.059 1.00 0.00 H new ATOM 215 N ASP A 18 -2.057 -5.211 9.011 1.00 0.00 N ATOM 216 CA ASP A 18 -3.091 -5.944 9.733 1.00 0.00 C ATOM 217 C ASP A 18 -4.439 -5.813 9.031 1.00 0.00 C ATOM 218 O ASP A 18 -4.795 -4.741 8.543 1.00 0.00 O ATOM 219 CB ASP A 18 -3.199 -5.433 11.170 1.00 0.00 C ATOM 220 CG ASP A 18 -2.152 -6.044 12.081 1.00 0.00 C ATOM 221 OD1 ASP A 18 -1.033 -5.495 12.149 1.00 0.00 O ATOM 222 OD2 ASP A 18 -2.453 -7.070 12.727 1.00 0.00 O ATOM 0 H ASP A 18 -2.360 -4.311 8.639 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.811 -6.997 9.750 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.093 -4.348 11.176 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.192 -5.659 11.559 1.00 0.00 H new ATOM 227 N ALA A 19 -5.185 -6.913 8.983 1.00 0.00 N ATOM 228 CA ALA A 19 -6.494 -6.921 8.341 1.00 0.00 C ATOM 229 C ALA A 19 -7.565 -6.366 9.274 1.00 0.00 C ATOM 230 O ALA A 19 -7.841 -6.938 10.329 1.00 0.00 O ATOM 231 CB ALA A 19 -6.855 -8.331 7.898 1.00 0.00 C ATOM 0 H ALA A 19 -4.905 -7.809 9.381 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.446 -6.278 7.462 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.835 -8.323 7.420 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.109 -8.692 7.190 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.880 -8.990 8.766 1.00 0.00 H new ATOM 237 N VAL A 20 -8.166 -5.248 8.879 1.00 0.00 N ATOM 238 CA VAL A 20 -9.208 -4.616 9.679 1.00 0.00 C ATOM 239 C VAL A 20 -10.510 -5.406 9.609 1.00 0.00 C ATOM 240 O VAL A 20 -11.325 -5.362 10.530 1.00 0.00 O ATOM 241 CB VAL A 20 -9.471 -3.171 9.218 1.00 0.00 C ATOM 242 CG1 VAL A 20 -10.399 -2.460 10.191 1.00 0.00 C ATOM 243 CG2 VAL A 20 -8.161 -2.413 9.067 1.00 0.00 C ATOM 0 H VAL A 20 -7.949 -4.761 8.009 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.851 -4.601 10.709 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.960 -3.202 8.244 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.573 -1.440 9.848 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.349 -2.992 10.243 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.941 -2.437 11.180 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.366 -1.393 8.740 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.642 -2.390 10.025 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.535 -2.912 8.327 1.00 0.00 H new ATOM 253 N ASN A 21 -10.698 -6.129 8.510 1.00 0.00 N ATOM 254 CA ASN A 21 -11.902 -6.929 8.319 1.00 0.00 C ATOM 255 C ASN A 21 -11.709 -7.943 7.195 1.00 0.00 C ATOM 256 O ASN A 21 -10.642 -8.013 6.586 1.00 0.00 O ATOM 257 CB ASN A 21 -13.096 -6.025 8.006 1.00 0.00 C ATOM 258 CG ASN A 21 -13.794 -5.534 9.259 1.00 0.00 C ATOM 259 OD1 ASN A 21 -13.726 -6.170 10.311 1.00 0.00 O ATOM 260 ND2 ASN A 21 -14.468 -4.395 9.153 1.00 0.00 N ATOM 0 H ASN A 21 -10.032 -6.177 7.739 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.098 -7.471 9.244 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.757 -5.169 7.423 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.808 -6.570 7.387 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -14.956 -4.014 9.963 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.498 -3.901 8.261 1.00 0.00 H new ATOM 267 N GLU A 22 -12.749 -8.725 6.926 1.00 0.00 N ATOM 268 CA GLU A 22 -12.693 -9.735 5.875 1.00 0.00 C ATOM 269 C GLU A 22 -12.643 -9.083 4.496 1.00 0.00 C ATOM 270 O GLU A 22 -12.304 -9.728 3.503 1.00 0.00 O ATOM 271 CB GLU A 22 -13.903 -10.667 5.967 1.00 0.00 C ATOM 272 CG GLU A 22 -15.195 -10.038 5.471 1.00 0.00 C ATOM 273 CD GLU A 22 -15.809 -9.092 6.485 1.00 0.00 C ATOM 274 OE1 GLU A 22 -16.005 -9.510 7.645 1.00 0.00 O ATOM 275 OE2 GLU A 22 -16.094 -7.933 6.117 1.00 0.00 O ATOM 0 H GLU A 22 -13.640 -8.679 7.420 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.783 -10.318 6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.702 -11.568 5.388 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.034 -10.977 7.004 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.999 -9.496 4.546 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.911 -10.825 5.234 1.00 0.00 H new ATOM 282 N THR A 23 -12.983 -7.799 4.442 1.00 0.00 N ATOM 283 CA THR A 23 -12.979 -7.060 3.186 1.00 0.00 C ATOM 284 C THR A 23 -12.233 -5.738 3.329 1.00 0.00 C ATOM 285 O THR A 23 -12.307 -4.873 2.456 1.00 0.00 O ATOM 286 CB THR A 23 -14.411 -6.777 2.696 1.00 0.00 C ATOM 287 OG1 THR A 23 -15.198 -6.241 3.765 1.00 0.00 O ATOM 288 CG2 THR A 23 -15.063 -8.046 2.168 1.00 0.00 C ATOM 0 H THR A 23 -13.265 -7.249 5.254 1.00 0.00 H new ATOM 0 HA THR A 23 -12.469 -7.685 2.453 1.00 0.00 H new ATOM 0 HB THR A 23 -14.356 -6.050 1.885 1.00 0.00 H new ATOM 0 HG1 THR A 23 -15.395 -6.949 4.413 1.00 0.00 H new ATOM 0 HG21 THR A 23 -16.074 -7.821 1.828 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.478 -8.436 1.335 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.105 -8.791 2.962 1.00 0.00 H new ATOM 296 N THR A 24 -11.512 -5.587 4.436 1.00 0.00 N ATOM 297 CA THR A 24 -10.753 -4.370 4.694 1.00 0.00 C ATOM 298 C THR A 24 -9.371 -4.692 5.250 1.00 0.00 C ATOM 299 O THR A 24 -9.190 -5.689 5.949 1.00 0.00 O ATOM 300 CB THR A 24 -11.489 -3.447 5.683 1.00 0.00 C ATOM 301 OG1 THR A 24 -12.898 -3.482 5.429 1.00 0.00 O ATOM 302 CG2 THR A 24 -10.984 -2.016 5.567 1.00 0.00 C ATOM 0 H THR A 24 -11.438 -6.293 5.168 1.00 0.00 H new ATOM 0 HA THR A 24 -10.647 -3.856 3.739 1.00 0.00 H new ATOM 0 HB THR A 24 -11.293 -3.804 6.694 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.359 -2.894 6.063 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.519 -1.383 6.275 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.917 -1.988 5.789 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.154 -1.651 4.554 1.00 0.00 H new ATOM 310 N ILE A 25 -8.399 -3.841 4.936 1.00 0.00 N ATOM 311 CA ILE A 25 -7.033 -4.036 5.406 1.00 0.00 C ATOM 312 C ILE A 25 -6.365 -2.701 5.719 1.00 0.00 C ATOM 313 O ILE A 25 -6.439 -1.759 4.931 1.00 0.00 O ATOM 314 CB ILE A 25 -6.182 -4.792 4.369 1.00 0.00 C ATOM 315 CG1 ILE A 25 -6.568 -6.273 4.344 1.00 0.00 C ATOM 316 CG2 ILE A 25 -4.702 -4.630 4.678 1.00 0.00 C ATOM 317 CD1 ILE A 25 -5.733 -7.099 3.391 1.00 0.00 C ATOM 0 H ILE A 25 -8.532 -3.011 4.359 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.095 -4.632 6.316 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.375 -4.368 3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.470 -6.683 5.349 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.618 -6.362 4.065 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.114 -5.170 3.936 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.438 -3.573 4.650 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.491 -5.031 5.670 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.062 -8.138 3.426 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.850 -6.715 2.378 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.684 -7.041 3.682 1.00 0.00 H new ATOM 329 N MET A 26 -5.711 -2.629 6.874 1.00 0.00 N ATOM 330 CA MET A 26 -5.026 -1.411 7.289 1.00 0.00 C ATOM 331 C MET A 26 -3.514 -1.614 7.303 1.00 0.00 C ATOM 332 O MET A 26 -3.004 -2.510 7.977 1.00 0.00 O ATOM 333 CB MET A 26 -5.506 -0.978 8.676 1.00 0.00 C ATOM 334 CG MET A 26 -4.586 0.025 9.352 1.00 0.00 C ATOM 335 SD MET A 26 -5.457 1.093 10.515 1.00 0.00 S ATOM 336 CE MET A 26 -4.935 2.710 9.946 1.00 0.00 C ATOM 0 H MET A 26 -5.641 -3.400 7.539 1.00 0.00 H new ATOM 0 HA MET A 26 -5.263 -0.628 6.569 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.502 -0.543 8.587 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.598 -1.859 9.311 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.796 -0.510 9.878 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.104 0.639 8.592 1.00 0.00 H new ATOM 0 HE1 MET A 26 -5.704 3.445 10.183 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.004 2.987 10.441 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.779 2.683 8.868 1.00 0.00 H new ATOM 346 N LEU A 27 -2.803 -0.778 6.555 1.00 0.00 N ATOM 347 CA LEU A 27 -1.348 -0.867 6.480 1.00 0.00 C ATOM 348 C LEU A 27 -0.708 0.501 6.696 1.00 0.00 C ATOM 349 O LEU A 27 -1.192 1.513 6.189 1.00 0.00 O ATOM 350 CB LEU A 27 -0.921 -1.435 5.126 1.00 0.00 C ATOM 351 CG LEU A 27 -0.741 -0.417 3.998 1.00 0.00 C ATOM 352 CD1 LEU A 27 0.129 -0.995 2.892 1.00 0.00 C ATOM 353 CD2 LEU A 27 -2.092 0.012 3.447 1.00 0.00 C ATOM 0 H LEU A 27 -3.209 -0.031 5.992 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.008 -1.536 7.270 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.019 -1.970 5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.663 -2.168 4.812 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.241 0.462 4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.246 -0.257 2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.108 -1.252 3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.343 -1.891 2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.945 0.736 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.619 -0.859 3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.682 0.467 4.243 1.00 0.00 H new ATOM 365 N LYS A 28 0.386 0.523 7.451 1.00 0.00 N ATOM 366 CA LYS A 28 1.096 1.765 7.732 1.00 0.00 C ATOM 367 C LYS A 28 2.511 1.723 7.163 1.00 0.00 C ATOM 368 O LYS A 28 3.211 0.719 7.290 1.00 0.00 O ATOM 369 CB LYS A 28 1.149 2.017 9.240 1.00 0.00 C ATOM 370 CG LYS A 28 -0.215 2.252 9.866 1.00 0.00 C ATOM 371 CD LYS A 28 -0.245 1.815 11.321 1.00 0.00 C ATOM 372 CE LYS A 28 -1.292 2.582 12.112 1.00 0.00 C ATOM 373 NZ LYS A 28 -1.194 2.310 13.573 1.00 0.00 N ATOM 0 H LYS A 28 0.800 -0.305 7.879 1.00 0.00 H new ATOM 0 HA LYS A 28 0.554 2.580 7.253 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.620 1.163 9.726 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.782 2.883 9.433 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.470 3.310 9.798 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.973 1.705 9.305 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.456 0.747 11.377 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.737 1.970 11.769 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.172 3.650 11.933 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.286 2.309 11.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.925 2.852 14.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.334 1.294 13.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.254 2.594 13.917 1.00 0.00 H new ATOM 387 N TRP A 29 2.925 2.820 6.538 1.00 0.00 N ATOM 388 CA TRP A 29 4.257 2.908 5.952 1.00 0.00 C ATOM 389 C TRP A 29 5.080 3.996 6.632 1.00 0.00 C ATOM 390 O TRP A 29 4.531 4.915 7.237 1.00 0.00 O ATOM 391 CB TRP A 29 4.159 3.188 4.451 1.00 0.00 C ATOM 392 CG TRP A 29 3.307 4.377 4.123 1.00 0.00 C ATOM 393 CD1 TRP A 29 3.708 5.681 4.064 1.00 0.00 C ATOM 394 CD2 TRP A 29 1.909 4.370 3.813 1.00 0.00 C ATOM 395 NE1 TRP A 29 2.644 6.485 3.735 1.00 0.00 N ATOM 396 CE2 TRP A 29 1.529 5.705 3.574 1.00 0.00 C ATOM 397 CE3 TRP A 29 0.943 3.366 3.710 1.00 0.00 C ATOM 398 CZ2 TRP A 29 0.225 6.060 3.242 1.00 0.00 C ATOM 399 CZ3 TRP A 29 -0.352 3.719 3.380 1.00 0.00 C ATOM 400 CH2 TRP A 29 -0.701 5.056 3.149 1.00 0.00 C ATOM 0 H TRP A 29 2.358 3.660 6.424 1.00 0.00 H new ATOM 0 HA TRP A 29 4.758 1.952 6.104 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.161 3.347 4.052 1.00 0.00 H new ATOM 0 HB3 TRP A 29 3.752 2.309 3.951 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.714 6.029 4.249 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.678 7.499 3.628 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.203 2.333 3.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.047 7.090 3.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.107 2.951 3.299 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.721 5.300 2.892 1.00 0.00 H new ATOM 411 N MET A 30 6.401 3.886 6.527 1.00 0.00 N ATOM 412 CA MET A 30 7.299 4.863 7.131 1.00 0.00 C ATOM 413 C MET A 30 8.121 5.579 6.064 1.00 0.00 C ATOM 414 O MET A 30 8.198 5.129 4.921 1.00 0.00 O ATOM 415 CB MET A 30 8.229 4.180 8.135 1.00 0.00 C ATOM 416 CG MET A 30 9.337 3.369 7.483 1.00 0.00 C ATOM 417 SD MET A 30 10.494 2.681 8.683 1.00 0.00 S ATOM 418 CE MET A 30 11.648 4.039 8.858 1.00 0.00 C ATOM 0 H MET A 30 6.872 3.130 6.030 1.00 0.00 H new ATOM 0 HA MET A 30 6.692 5.603 7.654 1.00 0.00 H new ATOM 0 HB2 MET A 30 8.675 4.938 8.778 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.640 3.525 8.776 1.00 0.00 H new ATOM 0 HG2 MET A 30 8.895 2.558 6.904 1.00 0.00 H new ATOM 0 HG3 MET A 30 9.881 4.002 6.782 1.00 0.00 H new ATOM 0 HE1 MET A 30 12.607 3.760 8.421 1.00 0.00 H new ATOM 0 HE2 MET A 30 11.257 4.917 8.345 1.00 0.00 H new ATOM 0 HE3 MET A 30 11.784 4.267 9.915 1.00 0.00 H new ATOM 428 N TYR A 31 8.733 6.694 6.445 1.00 0.00 N ATOM 429 CA TYR A 31 9.548 7.474 5.520 1.00 0.00 C ATOM 430 C TYR A 31 10.904 7.805 6.134 1.00 0.00 C ATOM 431 O TYR A 31 10.989 8.223 7.289 1.00 0.00 O ATOM 432 CB TYR A 31 8.822 8.763 5.132 1.00 0.00 C ATOM 433 CG TYR A 31 9.480 9.507 3.991 1.00 0.00 C ATOM 434 CD1 TYR A 31 10.576 10.332 4.214 1.00 0.00 C ATOM 435 CD2 TYR A 31 9.005 9.385 2.691 1.00 0.00 C ATOM 436 CE1 TYR A 31 11.179 11.014 3.175 1.00 0.00 C ATOM 437 CE2 TYR A 31 9.603 10.063 1.646 1.00 0.00 C ATOM 438 CZ TYR A 31 10.689 10.877 1.893 1.00 0.00 C ATOM 439 OH TYR A 31 11.288 11.554 0.856 1.00 0.00 O ATOM 0 H TYR A 31 8.681 7.079 7.388 1.00 0.00 H new ATOM 0 HA TYR A 31 9.713 6.874 4.625 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.796 8.523 4.855 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.772 9.418 6.002 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.963 10.442 5.216 1.00 0.00 H new ATOM 0 HD2 TYR A 31 8.154 8.750 2.494 1.00 0.00 H new ATOM 0 HE1 TYR A 31 12.030 11.651 3.366 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.222 9.956 0.641 1.00 0.00 H new ATOM 0 HH TYR A 31 10.823 11.348 0.019 1.00 0.00 H new ATOM 449 N ILE A 32 11.962 7.615 5.353 1.00 0.00 N ATOM 450 CA ILE A 32 13.315 7.895 5.818 1.00 0.00 C ATOM 451 C ILE A 32 13.889 9.128 5.129 1.00 0.00 C ATOM 452 O ILE A 32 14.232 9.106 3.947 1.00 0.00 O ATOM 453 CB ILE A 32 14.254 6.700 5.572 1.00 0.00 C ATOM 454 CG1 ILE A 32 13.727 5.454 6.289 1.00 0.00 C ATOM 455 CG2 ILE A 32 15.664 7.029 6.038 1.00 0.00 C ATOM 456 CD1 ILE A 32 12.607 4.759 5.547 1.00 0.00 C ATOM 0 H ILE A 32 11.908 7.268 4.395 1.00 0.00 H new ATOM 0 HA ILE A 32 13.248 8.079 6.890 1.00 0.00 H new ATOM 0 HB ILE A 32 14.285 6.495 4.502 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.548 4.752 6.431 1.00 0.00 H new ATOM 0 HG13 ILE A 32 13.374 5.737 7.281 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.316 6.174 5.857 1.00 0.00 H new ATOM 0 HG22 ILE A 32 16.037 7.893 5.487 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.651 7.256 7.104 1.00 0.00 H new ATOM 0 HD11 ILE A 32 12.283 3.885 6.113 1.00 0.00 H new ATOM 0 HD12 ILE A 32 11.769 5.445 5.428 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.961 4.445 4.565 1.00 0.00 H new ATOM 468 N PRO A 33 13.999 10.231 5.884 1.00 0.00 N ATOM 469 CA PRO A 33 14.534 11.495 5.368 1.00 0.00 C ATOM 470 C PRO A 33 16.031 11.419 5.088 1.00 0.00 C ATOM 471 O PRO A 33 16.571 12.223 4.329 1.00 0.00 O ATOM 472 CB PRO A 33 14.251 12.488 6.497 1.00 0.00 C ATOM 473 CG PRO A 33 14.184 11.652 7.729 1.00 0.00 C ATOM 474 CD PRO A 33 13.609 10.330 7.301 1.00 0.00 C ATOM 0 HA PRO A 33 14.080 11.771 4.416 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.038 13.239 6.570 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.316 13.022 6.329 1.00 0.00 H new ATOM 0 HG2 PRO A 33 15.173 11.524 8.168 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.558 12.123 8.487 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.015 9.506 7.888 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.526 10.305 7.422 1.00 0.00 H new ATOM 482 N ALA A 34 16.695 10.447 5.705 1.00 0.00 N ATOM 483 CA ALA A 34 18.129 10.265 5.519 1.00 0.00 C ATOM 484 C ALA A 34 18.495 10.258 4.039 1.00 0.00 C ATOM 485 O ALA A 34 19.058 11.225 3.524 1.00 0.00 O ATOM 486 CB ALA A 34 18.588 8.975 6.184 1.00 0.00 C ATOM 0 H ALA A 34 16.263 9.774 6.338 1.00 0.00 H new ATOM 0 HA ALA A 34 18.640 11.105 5.989 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.661 8.852 6.037 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.370 9.018 7.251 1.00 0.00 H new ATOM 0 HB3 ALA A 34 18.062 8.130 5.740 1.00 0.00 H new ATOM 492 N SER A 35 18.172 9.163 3.359 1.00 0.00 N ATOM 493 CA SER A 35 18.471 9.029 1.938 1.00 0.00 C ATOM 494 C SER A 35 17.390 9.692 1.091 1.00 0.00 C ATOM 495 O SER A 35 16.923 9.124 0.105 1.00 0.00 O ATOM 496 CB SER A 35 18.598 7.552 1.559 1.00 0.00 C ATOM 497 OG SER A 35 18.845 7.401 0.172 1.00 0.00 O ATOM 0 H SER A 35 17.703 8.355 3.769 1.00 0.00 H new ATOM 0 HA SER A 35 19.419 9.530 1.742 1.00 0.00 H new ATOM 0 HB2 SER A 35 19.408 7.096 2.128 1.00 0.00 H new ATOM 0 HB3 SER A 35 17.683 7.024 1.828 1.00 0.00 H new ATOM 0 HG SER A 35 18.180 7.911 -0.336 1.00 0.00 H new ATOM 503 N ASN A 36 16.997 10.900 1.483 1.00 0.00 N ATOM 504 CA ASN A 36 15.970 11.642 0.761 1.00 0.00 C ATOM 505 C ASN A 36 16.537 12.937 0.188 1.00 0.00 C ATOM 506 O ASN A 36 17.538 13.458 0.677 1.00 0.00 O ATOM 507 CB ASN A 36 14.791 11.953 1.685 1.00 0.00 C ATOM 508 CG ASN A 36 13.742 12.816 1.012 1.00 0.00 C ATOM 509 OD1 ASN A 36 13.410 12.614 -0.156 1.00 0.00 O ATOM 510 ND2 ASN A 36 13.213 13.787 1.749 1.00 0.00 N ATOM 0 H ASN A 36 17.374 11.386 2.297 1.00 0.00 H new ATOM 0 HA ASN A 36 15.621 11.022 -0.065 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.334 11.019 2.013 1.00 0.00 H new ATOM 0 HB3 ASN A 36 15.157 12.460 2.578 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.502 14.400 1.350 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.518 13.919 2.713 1.00 0.00 H new ATOM 517 N ASN A 37 15.888 13.452 -0.852 1.00 0.00 N ATOM 518 CA ASN A 37 16.327 14.687 -1.492 1.00 0.00 C ATOM 519 C ASN A 37 15.529 15.880 -0.976 1.00 0.00 C ATOM 520 O ASN A 37 15.439 16.912 -1.639 1.00 0.00 O ATOM 521 CB ASN A 37 16.180 14.579 -3.011 1.00 0.00 C ATOM 522 CG ASN A 37 17.148 15.481 -3.751 1.00 0.00 C ATOM 523 OD1 ASN A 37 18.220 15.811 -3.242 1.00 0.00 O ATOM 524 ND2 ASN A 37 16.774 15.885 -4.959 1.00 0.00 N ATOM 0 H ASN A 37 15.057 13.033 -1.269 1.00 0.00 H new ATOM 0 HA ASN A 37 17.378 14.841 -1.246 1.00 0.00 H new ATOM 0 HB2 ASN A 37 16.344 13.546 -3.317 1.00 0.00 H new ATOM 0 HB3 ASN A 37 15.159 14.836 -3.294 1.00 0.00 H new ATOM 0 HD21 ASN A 37 17.384 16.494 -5.505 1.00 0.00 H new ATOM 0 HD22 ASN A 37 15.877 15.587 -5.341 1.00 0.00 H new ATOM 531 N ASN A 38 14.952 15.730 0.212 1.00 0.00 N ATOM 532 CA ASN A 38 14.161 16.796 0.817 1.00 0.00 C ATOM 533 C ASN A 38 13.144 17.350 -0.176 1.00 0.00 C ATOM 534 O ASN A 38 12.985 18.564 -0.308 1.00 0.00 O ATOM 535 CB ASN A 38 15.074 17.920 1.310 1.00 0.00 C ATOM 536 CG ASN A 38 14.432 18.748 2.407 1.00 0.00 C ATOM 537 OD1 ASN A 38 13.768 18.213 3.295 1.00 0.00 O ATOM 538 ND2 ASN A 38 14.628 20.060 2.349 1.00 0.00 N ATOM 0 H ASN A 38 15.017 14.882 0.774 1.00 0.00 H new ATOM 0 HA ASN A 38 13.621 16.377 1.666 1.00 0.00 H new ATOM 0 HB2 ASN A 38 16.006 17.492 1.680 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.332 18.569 0.473 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.221 20.668 3.059 1.00 0.00 H new ATOM 0 HD22 ASN A 38 15.186 20.459 1.594 1.00 0.00 H new ATOM 545 N THR A 39 12.456 16.451 -0.874 1.00 0.00 N ATOM 546 CA THR A 39 11.455 16.849 -1.856 1.00 0.00 C ATOM 547 C THR A 39 10.045 16.572 -1.347 1.00 0.00 C ATOM 548 O THR A 39 9.764 15.525 -0.764 1.00 0.00 O ATOM 549 CB THR A 39 11.659 16.116 -3.195 1.00 0.00 C ATOM 550 OG1 THR A 39 11.023 16.842 -4.253 1.00 0.00 O ATOM 551 CG2 THR A 39 11.093 14.705 -3.130 1.00 0.00 C ATOM 0 H THR A 39 12.574 15.442 -0.777 1.00 0.00 H new ATOM 0 HA THR A 39 11.577 17.920 -2.015 1.00 0.00 H new ATOM 0 HB THR A 39 12.729 16.053 -3.391 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.159 16.370 -5.101 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.248 14.206 -4.087 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.599 14.146 -2.343 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.026 14.751 -2.914 1.00 0.00 H new ATOM 559 N PRO A 40 9.136 17.532 -1.570 1.00 0.00 N ATOM 560 CA PRO A 40 7.738 17.413 -1.143 1.00 0.00 C ATOM 561 C PRO A 40 6.974 16.365 -1.944 1.00 0.00 C ATOM 562 O PRO A 40 7.086 16.304 -3.169 1.00 0.00 O ATOM 563 CB PRO A 40 7.167 18.809 -1.405 1.00 0.00 C ATOM 564 CG PRO A 40 8.026 19.373 -2.485 1.00 0.00 C ATOM 565 CD PRO A 40 9.400 18.807 -2.258 1.00 0.00 C ATOM 0 HA PRO A 40 7.655 17.092 -0.105 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.123 18.758 -1.715 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.203 19.426 -0.507 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.648 19.097 -3.469 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.041 20.462 -2.443 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.931 18.654 -3.197 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.013 19.472 -1.650 1.00 0.00 H new ATOM 573 N ILE A 41 6.197 15.544 -1.246 1.00 0.00 N ATOM 574 CA ILE A 41 5.413 14.500 -1.894 1.00 0.00 C ATOM 575 C ILE A 41 3.955 14.921 -2.046 1.00 0.00 C ATOM 576 O ILE A 41 3.382 15.545 -1.153 1.00 0.00 O ATOM 577 CB ILE A 41 5.475 13.178 -1.106 1.00 0.00 C ATOM 578 CG1 ILE A 41 6.894 12.932 -0.592 1.00 0.00 C ATOM 579 CG2 ILE A 41 5.012 12.020 -1.977 1.00 0.00 C ATOM 580 CD1 ILE A 41 7.067 11.591 0.087 1.00 0.00 C ATOM 0 H ILE A 41 6.094 15.582 -0.232 1.00 0.00 H new ATOM 0 HA ILE A 41 5.848 14.346 -2.881 1.00 0.00 H new ATOM 0 HB ILE A 41 4.806 13.251 -0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.591 13.000 -1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.160 13.722 0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.062 11.093 -1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.985 12.194 -2.298 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.657 11.942 -2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.098 11.485 0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.395 11.527 0.943 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.833 10.793 -0.618 1.00 0.00 H new ATOM 592 N HIS A 42 3.360 14.574 -3.183 1.00 0.00 N ATOM 593 CA HIS A 42 1.967 14.914 -3.451 1.00 0.00 C ATOM 594 C HIS A 42 1.025 14.004 -2.669 1.00 0.00 C ATOM 595 O HIS A 42 0.034 14.461 -2.101 1.00 0.00 O ATOM 596 CB HIS A 42 1.673 14.807 -4.948 1.00 0.00 C ATOM 597 CG HIS A 42 2.042 16.035 -5.721 1.00 0.00 C ATOM 598 ND1 HIS A 42 1.583 16.288 -6.996 1.00 0.00 N ATOM 599 CD2 HIS A 42 2.829 17.086 -5.391 1.00 0.00 C ATOM 600 CE1 HIS A 42 2.073 17.440 -7.418 1.00 0.00 C ATOM 601 NE2 HIS A 42 2.832 17.944 -6.462 1.00 0.00 N ATOM 0 H HIS A 42 3.820 14.058 -3.933 1.00 0.00 H new ATOM 0 HA HIS A 42 1.801 15.942 -3.128 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.216 13.954 -5.356 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.611 14.606 -5.088 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.356 17.224 -4.459 1.00 0.00 H new ATOM 0 HE1 HIS A 42 1.885 17.892 -8.380 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.338 18.828 -6.512 1.00 0.00 H new ATOM 610 N GLY A 43 1.343 12.713 -2.644 1.00 0.00 N ATOM 611 CA GLY A 43 0.514 11.759 -1.929 1.00 0.00 C ATOM 612 C GLY A 43 1.184 10.408 -1.779 1.00 0.00 C ATOM 613 O GLY A 43 2.407 10.322 -1.664 1.00 0.00 O ATOM 0 H GLY A 43 2.159 12.311 -3.105 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.278 12.156 -0.942 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.431 11.636 -2.458 1.00 0.00 H new ATOM 617 N PHE A 44 0.382 9.348 -1.778 1.00 0.00 N ATOM 618 CA PHE A 44 0.904 7.994 -1.638 1.00 0.00 C ATOM 619 C PHE A 44 0.020 6.991 -2.372 1.00 0.00 C ATOM 620 O PHE A 44 -1.188 6.927 -2.142 1.00 0.00 O ATOM 621 CB PHE A 44 1.006 7.614 -0.159 1.00 0.00 C ATOM 622 CG PHE A 44 2.164 8.258 0.547 1.00 0.00 C ATOM 623 CD1 PHE A 44 3.467 7.979 0.166 1.00 0.00 C ATOM 624 CD2 PHE A 44 1.951 9.143 1.592 1.00 0.00 C ATOM 625 CE1 PHE A 44 4.535 8.569 0.815 1.00 0.00 C ATOM 626 CE2 PHE A 44 3.015 9.737 2.244 1.00 0.00 C ATOM 627 CZ PHE A 44 4.309 9.451 1.855 1.00 0.00 C ATOM 0 H PHE A 44 -0.632 9.401 -1.873 1.00 0.00 H new ATOM 0 HA PHE A 44 1.899 7.968 -2.082 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.081 7.896 0.345 1.00 0.00 H new ATOM 0 HB3 PHE A 44 1.097 6.531 -0.076 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.650 7.293 -0.647 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.941 9.371 1.901 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.546 8.341 0.510 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.835 10.424 3.057 1.00 0.00 H new ATOM 0 HZ PHE A 44 5.142 9.915 2.362 1.00 0.00 H new ATOM 637 N TYR A 45 0.630 6.212 -3.258 1.00 0.00 N ATOM 638 CA TYR A 45 -0.102 5.214 -4.030 1.00 0.00 C ATOM 639 C TYR A 45 0.024 3.833 -3.393 1.00 0.00 C ATOM 640 O TYR A 45 1.089 3.459 -2.900 1.00 0.00 O ATOM 641 CB TYR A 45 0.414 5.172 -5.469 1.00 0.00 C ATOM 642 CG TYR A 45 -0.214 6.213 -6.368 1.00 0.00 C ATOM 643 CD1 TYR A 45 -1.586 6.431 -6.358 1.00 0.00 C ATOM 644 CD2 TYR A 45 0.565 6.980 -7.225 1.00 0.00 C ATOM 645 CE1 TYR A 45 -2.165 7.380 -7.178 1.00 0.00 C ATOM 646 CE2 TYR A 45 -0.005 7.933 -8.048 1.00 0.00 C ATOM 647 CZ TYR A 45 -1.370 8.129 -8.021 1.00 0.00 C ATOM 648 OH TYR A 45 -1.942 9.077 -8.838 1.00 0.00 O ATOM 0 H TYR A 45 1.629 6.252 -3.460 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.154 5.497 -4.037 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.495 5.314 -5.463 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.225 4.183 -5.885 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.211 5.848 -5.697 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.634 6.829 -7.249 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.234 7.535 -7.159 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.615 8.521 -8.709 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.484 9.935 -8.714 1.00 0.00 H new ATOM 658 N ILE A 46 -1.071 3.080 -3.407 1.00 0.00 N ATOM 659 CA ILE A 46 -1.084 1.740 -2.833 1.00 0.00 C ATOM 660 C ILE A 46 -1.666 0.728 -3.814 1.00 0.00 C ATOM 661 O ILE A 46 -2.834 0.816 -4.193 1.00 0.00 O ATOM 662 CB ILE A 46 -1.895 1.696 -1.525 1.00 0.00 C ATOM 663 CG1 ILE A 46 -1.309 2.671 -0.502 1.00 0.00 C ATOM 664 CG2 ILE A 46 -1.919 0.282 -0.964 1.00 0.00 C ATOM 665 CD1 ILE A 46 -2.335 3.229 0.459 1.00 0.00 C ATOM 0 H ILE A 46 -1.961 3.375 -3.810 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.048 1.479 -2.617 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.920 1.998 -1.740 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.529 2.163 0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.832 3.496 -1.031 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.496 0.267 -0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.378 -0.389 -1.689 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.900 -0.046 -0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.848 3.912 1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.102 3.765 -0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.795 2.412 1.015 1.00 0.00 H new ATOM 677 N TYR A 47 -0.845 -0.234 -4.219 1.00 0.00 N ATOM 678 CA TYR A 47 -1.277 -1.264 -5.156 1.00 0.00 C ATOM 679 C TYR A 47 -1.605 -2.563 -4.425 1.00 0.00 C ATOM 680 O TYR A 47 -1.037 -2.856 -3.373 1.00 0.00 O ATOM 681 CB TYR A 47 -0.194 -1.516 -6.206 1.00 0.00 C ATOM 682 CG TYR A 47 0.174 -0.285 -7.003 1.00 0.00 C ATOM 683 CD1 TYR A 47 0.768 0.812 -6.392 1.00 0.00 C ATOM 684 CD2 TYR A 47 -0.072 -0.220 -8.370 1.00 0.00 C ATOM 685 CE1 TYR A 47 1.105 1.938 -7.117 1.00 0.00 C ATOM 686 CE2 TYR A 47 0.263 0.902 -9.103 1.00 0.00 C ATOM 687 CZ TYR A 47 0.851 1.979 -8.472 1.00 0.00 C ATOM 688 OH TYR A 47 1.186 3.098 -9.198 1.00 0.00 O ATOM 0 H TYR A 47 0.124 -0.322 -3.913 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.180 -0.910 -5.654 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.699 -1.898 -5.711 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.536 -2.293 -6.890 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.970 0.784 -5.331 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.533 -1.061 -8.867 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.565 2.782 -6.625 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.066 0.936 -10.164 1.00 0.00 H new ATOM 0 HH TYR A 47 0.941 2.964 -10.137 1.00 0.00 H new ATOM 698 N TYR A 48 -2.524 -3.337 -4.991 1.00 0.00 N ATOM 699 CA TYR A 48 -2.929 -4.604 -4.394 1.00 0.00 C ATOM 700 C TYR A 48 -3.572 -5.515 -5.435 1.00 0.00 C ATOM 701 O TYR A 48 -4.236 -5.048 -6.361 1.00 0.00 O ATOM 702 CB TYR A 48 -3.905 -4.359 -3.242 1.00 0.00 C ATOM 703 CG TYR A 48 -4.970 -3.333 -3.558 1.00 0.00 C ATOM 704 CD1 TYR A 48 -4.720 -1.975 -3.408 1.00 0.00 C ATOM 705 CD2 TYR A 48 -6.226 -3.723 -4.006 1.00 0.00 C ATOM 706 CE1 TYR A 48 -5.690 -1.034 -3.694 1.00 0.00 C ATOM 707 CE2 TYR A 48 -7.202 -2.789 -4.297 1.00 0.00 C ATOM 708 CZ TYR A 48 -6.929 -1.446 -4.139 1.00 0.00 C ATOM 709 OH TYR A 48 -7.898 -0.512 -4.426 1.00 0.00 O ATOM 0 H TYR A 48 -3.003 -3.109 -5.862 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.037 -5.097 -4.007 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.387 -5.301 -2.978 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.345 -4.031 -2.366 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.750 -1.649 -3.062 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.443 -4.774 -4.129 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.480 0.018 -3.570 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.173 -3.109 -4.646 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.478 0.289 -4.803 1.00 0.00 H new ATOM 719 N ARG A 49 -3.370 -6.819 -5.275 1.00 0.00 N ATOM 720 CA ARG A 49 -3.929 -7.798 -6.200 1.00 0.00 C ATOM 721 C ARG A 49 -3.913 -9.196 -5.588 1.00 0.00 C ATOM 722 O ARG A 49 -2.990 -9.573 -4.866 1.00 0.00 O ATOM 723 CB ARG A 49 -3.144 -7.796 -7.513 1.00 0.00 C ATOM 724 CG ARG A 49 -1.723 -8.316 -7.375 1.00 0.00 C ATOM 725 CD ARG A 49 -1.658 -9.822 -7.581 1.00 0.00 C ATOM 726 NE ARG A 49 -0.564 -10.431 -6.829 1.00 0.00 N ATOM 727 CZ ARG A 49 -0.014 -11.597 -7.146 1.00 0.00 C ATOM 728 NH1 ARG A 49 -0.453 -12.277 -8.197 1.00 0.00 N ATOM 729 NH2 ARG A 49 0.978 -12.086 -6.413 1.00 0.00 N ATOM 0 H ARG A 49 -2.824 -7.222 -4.514 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.964 -7.520 -6.402 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.675 -8.405 -8.245 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.113 -6.780 -7.906 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.081 -7.820 -8.103 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.337 -8.066 -6.387 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.603 -10.271 -7.274 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.533 -10.038 -8.642 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.203 -9.933 -6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.215 -11.904 -8.764 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.029 -13.173 -8.438 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.319 -11.566 -5.605 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.399 -12.982 -6.658 1.00 0.00 H new ATOM 743 N PRO A 50 -4.958 -9.983 -5.882 1.00 0.00 N ATOM 744 CA PRO A 50 -5.088 -11.350 -5.371 1.00 0.00 C ATOM 745 C PRO A 50 -4.072 -12.301 -5.994 1.00 0.00 C ATOM 746 O PRO A 50 -3.704 -12.157 -7.161 1.00 0.00 O ATOM 747 CB PRO A 50 -6.510 -11.747 -5.776 1.00 0.00 C ATOM 748 CG PRO A 50 -6.818 -10.897 -6.960 1.00 0.00 C ATOM 749 CD PRO A 50 -6.094 -9.598 -6.737 1.00 0.00 C ATOM 0 HA PRO A 50 -4.905 -11.402 -4.298 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -6.570 -12.807 -6.023 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.217 -11.568 -4.966 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -6.486 -11.376 -7.881 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.892 -10.734 -7.055 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.759 -9.158 -7.676 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.732 -8.861 -6.250 1.00 0.00 H new ATOM 757 N THR A 51 -3.620 -13.275 -5.210 1.00 0.00 N ATOM 758 CA THR A 51 -2.646 -14.249 -5.685 1.00 0.00 C ATOM 759 C THR A 51 -3.113 -14.908 -6.978 1.00 0.00 C ATOM 760 O THR A 51 -2.298 -15.331 -7.799 1.00 0.00 O ATOM 761 CB THR A 51 -2.385 -15.342 -4.631 1.00 0.00 C ATOM 762 OG1 THR A 51 -1.096 -15.928 -4.843 1.00 0.00 O ATOM 763 CG2 THR A 51 -3.455 -16.421 -4.694 1.00 0.00 C ATOM 0 H THR A 51 -3.914 -13.410 -4.243 1.00 0.00 H new ATOM 0 HA THR A 51 -1.720 -13.705 -5.871 1.00 0.00 H new ATOM 0 HB THR A 51 -2.416 -14.880 -3.644 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.937 -16.621 -4.168 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.250 -17.182 -3.941 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.432 -15.976 -4.504 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.452 -16.879 -5.683 1.00 0.00 H new ATOM 771 N ASP A 52 -4.427 -14.990 -7.154 1.00 0.00 N ATOM 772 CA ASP A 52 -5.002 -15.596 -8.350 1.00 0.00 C ATOM 773 C ASP A 52 -4.714 -14.744 -9.582 1.00 0.00 C ATOM 774 O ASP A 52 -4.580 -15.264 -10.690 1.00 0.00 O ATOM 775 CB ASP A 52 -6.511 -15.776 -8.180 1.00 0.00 C ATOM 776 CG ASP A 52 -7.218 -16.008 -9.501 1.00 0.00 C ATOM 777 OD1 ASP A 52 -7.253 -17.169 -9.959 1.00 0.00 O ATOM 778 OD2 ASP A 52 -7.736 -15.028 -10.077 1.00 0.00 O ATOM 0 H ASP A 52 -5.114 -14.645 -6.484 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.541 -16.574 -8.491 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.701 -16.620 -7.516 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.928 -14.891 -7.698 1.00 0.00 H new ATOM 783 N SER A 53 -4.621 -13.434 -9.382 1.00 0.00 N ATOM 784 CA SER A 53 -4.354 -12.509 -10.477 1.00 0.00 C ATOM 785 C SER A 53 -3.404 -13.134 -11.495 1.00 0.00 C ATOM 786 O SER A 53 -2.569 -13.969 -11.150 1.00 0.00 O ATOM 787 CB SER A 53 -3.759 -11.206 -9.940 1.00 0.00 C ATOM 788 OG SER A 53 -4.748 -10.420 -9.299 1.00 0.00 O ATOM 0 H SER A 53 -4.727 -12.988 -8.471 1.00 0.00 H new ATOM 0 HA SER A 53 -5.299 -12.290 -10.973 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.957 -11.431 -9.237 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.315 -10.640 -10.759 1.00 0.00 H new ATOM 0 HG SER A 53 -5.370 -10.066 -9.969 1.00 0.00 H new ATOM 794 N ASP A 54 -3.539 -12.721 -12.751 1.00 0.00 N ATOM 795 CA ASP A 54 -2.693 -13.238 -13.821 1.00 0.00 C ATOM 796 C ASP A 54 -1.354 -12.509 -13.855 1.00 0.00 C ATOM 797 O ASP A 54 -0.295 -13.131 -13.775 1.00 0.00 O ATOM 798 CB ASP A 54 -3.399 -13.099 -15.170 1.00 0.00 C ATOM 799 CG ASP A 54 -2.964 -14.159 -16.163 1.00 0.00 C ATOM 800 OD1 ASP A 54 -1.878 -14.743 -15.969 1.00 0.00 O ATOM 801 OD2 ASP A 54 -3.710 -14.404 -17.135 1.00 0.00 O ATOM 0 H ASP A 54 -4.226 -12.030 -13.053 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.506 -14.294 -13.625 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.477 -13.165 -15.021 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.194 -12.112 -15.584 1.00 0.00 H new ATOM 806 N ASN A 55 -1.409 -11.187 -13.975 1.00 0.00 N ATOM 807 CA ASN A 55 -0.200 -10.372 -14.021 1.00 0.00 C ATOM 808 C ASN A 55 -0.446 -8.998 -13.407 1.00 0.00 C ATOM 809 O ASN A 55 -1.569 -8.669 -13.026 1.00 0.00 O ATOM 810 CB ASN A 55 0.282 -10.219 -15.466 1.00 0.00 C ATOM 811 CG ASN A 55 0.087 -11.485 -16.277 1.00 0.00 C ATOM 812 OD1 ASN A 55 0.775 -12.484 -16.067 1.00 0.00 O ATOM 813 ND2 ASN A 55 -0.856 -11.449 -17.212 1.00 0.00 N ATOM 0 H ASN A 55 -2.278 -10.657 -14.042 1.00 0.00 H new ATOM 0 HA ASN A 55 0.571 -10.877 -13.439 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.257 -9.400 -15.941 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.338 -9.949 -15.467 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.033 -12.271 -17.790 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.403 -10.600 -17.352 1.00 0.00 H new ATOM 820 N ASP A 56 0.612 -8.199 -13.315 1.00 0.00 N ATOM 821 CA ASP A 56 0.511 -6.859 -12.749 1.00 0.00 C ATOM 822 C ASP A 56 -0.697 -6.119 -13.315 1.00 0.00 C ATOM 823 O ASP A 56 -1.194 -5.169 -12.711 1.00 0.00 O ATOM 824 CB ASP A 56 1.788 -6.066 -13.031 1.00 0.00 C ATOM 825 CG ASP A 56 2.205 -6.138 -14.487 1.00 0.00 C ATOM 826 OD1 ASP A 56 2.597 -7.234 -14.939 1.00 0.00 O ATOM 827 OD2 ASP A 56 2.137 -5.098 -15.175 1.00 0.00 O ATOM 0 H ASP A 56 1.549 -8.456 -13.625 1.00 0.00 H new ATOM 0 HA ASP A 56 0.383 -6.956 -11.671 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.634 -5.024 -12.751 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.595 -6.448 -12.406 1.00 0.00 H new ATOM 832 N SER A 57 -1.163 -6.561 -14.479 1.00 0.00 N ATOM 833 CA SER A 57 -2.310 -5.938 -15.129 1.00 0.00 C ATOM 834 C SER A 57 -3.480 -5.807 -14.158 1.00 0.00 C ATOM 835 O SER A 57 -4.410 -5.035 -14.390 1.00 0.00 O ATOM 836 CB SER A 57 -2.736 -6.754 -16.351 1.00 0.00 C ATOM 837 OG SER A 57 -3.781 -6.108 -17.057 1.00 0.00 O ATOM 0 H SER A 57 -0.764 -7.348 -14.991 1.00 0.00 H new ATOM 0 HA SER A 57 -2.015 -4.940 -15.452 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.881 -6.898 -17.012 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.065 -7.744 -16.035 1.00 0.00 H new ATOM 0 HG SER A 57 -4.209 -5.447 -16.474 1.00 0.00 H new ATOM 843 N ASP A 58 -3.425 -6.566 -13.069 1.00 0.00 N ATOM 844 CA ASP A 58 -4.478 -6.535 -12.061 1.00 0.00 C ATOM 845 C ASP A 58 -4.171 -5.496 -10.987 1.00 0.00 C ATOM 846 O ASP A 58 -5.054 -4.755 -10.555 1.00 0.00 O ATOM 847 CB ASP A 58 -4.643 -7.915 -11.422 1.00 0.00 C ATOM 848 CG ASP A 58 -5.042 -8.975 -12.430 1.00 0.00 C ATOM 849 OD1 ASP A 58 -4.218 -9.294 -13.312 1.00 0.00 O ATOM 850 OD2 ASP A 58 -6.178 -9.486 -12.336 1.00 0.00 O ATOM 0 H ASP A 58 -2.662 -7.210 -12.862 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.410 -6.258 -12.553 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.707 -8.206 -10.945 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.398 -7.861 -10.637 1.00 0.00 H new ATOM 855 N TYR A 59 -2.915 -5.450 -10.558 1.00 0.00 N ATOM 856 CA TYR A 59 -2.492 -4.505 -9.531 1.00 0.00 C ATOM 857 C TYR A 59 -3.245 -3.185 -9.662 1.00 0.00 C ATOM 858 O TYR A 59 -3.201 -2.532 -10.705 1.00 0.00 O ATOM 859 CB TYR A 59 -0.986 -4.258 -9.625 1.00 0.00 C ATOM 860 CG TYR A 59 -0.162 -5.205 -8.782 1.00 0.00 C ATOM 861 CD1 TYR A 59 -0.495 -5.455 -7.457 1.00 0.00 C ATOM 862 CD2 TYR A 59 0.949 -5.850 -9.311 1.00 0.00 C ATOM 863 CE1 TYR A 59 0.254 -6.320 -6.683 1.00 0.00 C ATOM 864 CE2 TYR A 59 1.703 -6.717 -8.545 1.00 0.00 C ATOM 865 CZ TYR A 59 1.352 -6.949 -7.231 1.00 0.00 C ATOM 866 OH TYR A 59 2.102 -7.811 -6.464 1.00 0.00 O ATOM 0 H TYR A 59 -2.172 -6.056 -10.905 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.722 -4.938 -8.558 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.676 -4.349 -10.666 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.775 -3.234 -9.317 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.354 -4.965 -7.024 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.228 -5.670 -10.339 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.019 -6.503 -5.654 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.563 -7.211 -8.972 1.00 0.00 H new ATOM 0 HH TYR A 59 2.839 -8.170 -7.001 1.00 0.00 H new ATOM 876 N LYS A 60 -3.936 -2.797 -8.595 1.00 0.00 N ATOM 877 CA LYS A 60 -4.698 -1.554 -8.588 1.00 0.00 C ATOM 878 C LYS A 60 -3.855 -0.402 -8.050 1.00 0.00 C ATOM 879 O LYS A 60 -2.669 -0.568 -7.764 1.00 0.00 O ATOM 880 CB LYS A 60 -5.963 -1.713 -7.741 1.00 0.00 C ATOM 881 CG LYS A 60 -7.138 -2.296 -8.507 1.00 0.00 C ATOM 882 CD LYS A 60 -8.305 -2.608 -7.585 1.00 0.00 C ATOM 883 CE LYS A 60 -9.102 -1.357 -7.251 1.00 0.00 C ATOM 884 NZ LYS A 60 -10.334 -1.674 -6.477 1.00 0.00 N ATOM 0 H LYS A 60 -3.984 -3.326 -7.724 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.982 -1.325 -9.615 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.741 -2.355 -6.889 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.247 -0.740 -7.341 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.458 -1.592 -9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.824 -3.206 -9.019 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.958 -3.341 -8.059 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.933 -3.060 -6.665 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.479 -0.672 -6.677 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.374 -0.843 -8.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.849 -0.795 -6.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.941 -2.307 -7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.073 -2.141 -5.585 1.00 0.00 H new ATOM 898 N LYS A 61 -4.475 0.765 -7.913 1.00 0.00 N ATOM 899 CA LYS A 61 -3.783 1.944 -7.406 1.00 0.00 C ATOM 900 C LYS A 61 -4.717 2.800 -6.557 1.00 0.00 C ATOM 901 O LYS A 61 -5.818 3.147 -6.985 1.00 0.00 O ATOM 902 CB LYS A 61 -3.229 2.774 -8.567 1.00 0.00 C ATOM 903 CG LYS A 61 -2.239 3.842 -8.134 1.00 0.00 C ATOM 904 CD LYS A 61 -1.456 4.388 -9.315 1.00 0.00 C ATOM 905 CE LYS A 61 -2.291 5.357 -10.138 1.00 0.00 C ATOM 906 NZ LYS A 61 -1.441 6.334 -10.875 1.00 0.00 N ATOM 0 H LYS A 61 -5.456 0.920 -8.146 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.957 1.608 -6.780 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.743 2.107 -9.279 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.058 3.250 -9.090 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.772 4.656 -7.642 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.549 3.424 -7.401 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.559 4.893 -8.956 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.126 3.563 -9.947 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.901 4.798 -10.848 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.976 5.894 -9.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.990 6.755 -11.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.131 7.084 -10.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.609 5.846 -11.263 1.00 0.00 H new ATOM 920 N ASP A 62 -4.271 3.138 -5.352 1.00 0.00 N ATOM 921 CA ASP A 62 -5.066 3.956 -4.443 1.00 0.00 C ATOM 922 C ASP A 62 -4.267 5.160 -3.956 1.00 0.00 C ATOM 923 O ASP A 62 -3.293 5.014 -3.218 1.00 0.00 O ATOM 924 CB ASP A 62 -5.534 3.122 -3.250 1.00 0.00 C ATOM 925 CG ASP A 62 -6.858 2.431 -3.510 1.00 0.00 C ATOM 926 OD1 ASP A 62 -7.104 2.037 -4.669 1.00 0.00 O ATOM 927 OD2 ASP A 62 -7.649 2.285 -2.554 1.00 0.00 O ATOM 0 H ASP A 62 -3.363 2.858 -4.982 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.938 4.318 -4.988 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.777 2.374 -3.014 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.629 3.766 -2.375 1.00 0.00 H new ATOM 932 N MET A 63 -4.685 6.350 -4.375 1.00 0.00 N ATOM 933 CA MET A 63 -4.008 7.580 -3.981 1.00 0.00 C ATOM 934 C MET A 63 -4.360 7.958 -2.546 1.00 0.00 C ATOM 935 O MET A 63 -5.507 7.819 -2.120 1.00 0.00 O ATOM 936 CB MET A 63 -4.384 8.721 -4.928 1.00 0.00 C ATOM 937 CG MET A 63 -3.296 9.771 -5.078 1.00 0.00 C ATOM 938 SD MET A 63 -3.948 11.386 -5.543 1.00 0.00 S ATOM 939 CE MET A 63 -4.201 12.126 -3.932 1.00 0.00 C ATOM 0 H MET A 63 -5.489 6.489 -4.987 1.00 0.00 H new ATOM 0 HA MET A 63 -2.933 7.408 -4.040 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.615 8.306 -5.909 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.292 9.201 -4.563 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.751 9.861 -4.138 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.580 9.442 -5.831 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.603 13.132 -4.053 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.904 11.521 -3.360 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.250 12.176 -3.401 1.00 0.00 H new ATOM 949 N VAL A 64 -3.366 8.437 -1.804 1.00 0.00 N ATOM 950 CA VAL A 64 -3.571 8.836 -0.417 1.00 0.00 C ATOM 951 C VAL A 64 -2.876 10.159 -0.117 1.00 0.00 C ATOM 952 O VAL A 64 -1.865 10.494 -0.734 1.00 0.00 O ATOM 953 CB VAL A 64 -3.052 7.763 0.559 1.00 0.00 C ATOM 954 CG1 VAL A 64 -3.494 8.075 1.980 1.00 0.00 C ATOM 955 CG2 VAL A 64 -3.528 6.382 0.134 1.00 0.00 C ATOM 0 H VAL A 64 -2.411 8.558 -2.141 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.646 8.954 -0.278 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.962 7.770 0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.118 7.306 2.655 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.099 9.046 2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.583 8.097 2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.152 5.636 0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.618 6.358 0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.156 6.161 -0.866 1.00 0.00 H new ATOM 965 N GLU A 65 -3.424 10.907 0.835 1.00 0.00 N ATOM 966 CA GLU A 65 -2.856 12.195 1.217 1.00 0.00 C ATOM 967 C GLU A 65 -1.358 12.072 1.478 1.00 0.00 C ATOM 968 O GLU A 65 -0.882 11.043 1.956 1.00 0.00 O ATOM 969 CB GLU A 65 -3.559 12.739 2.462 1.00 0.00 C ATOM 970 CG GLU A 65 -5.033 12.376 2.536 1.00 0.00 C ATOM 971 CD GLU A 65 -5.742 12.543 1.207 1.00 0.00 C ATOM 972 OE1 GLU A 65 -6.236 13.657 0.934 1.00 0.00 O ATOM 973 OE2 GLU A 65 -5.804 11.559 0.439 1.00 0.00 O ATOM 0 H GLU A 65 -4.260 10.644 1.356 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.008 12.890 0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.054 12.358 3.350 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.459 13.824 2.480 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.133 11.343 2.869 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.520 13.001 3.284 1.00 0.00 H new ATOM 980 N GLY A 66 -0.619 13.131 1.160 1.00 0.00 N ATOM 981 CA GLY A 66 0.818 13.122 1.367 1.00 0.00 C ATOM 982 C GLY A 66 1.193 13.165 2.835 1.00 0.00 C ATOM 983 O GLY A 66 2.220 12.617 3.237 1.00 0.00 O ATOM 0 H GLY A 66 -0.989 13.994 0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.242 12.226 0.913 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.261 13.978 0.857 1.00 0.00 H new ATOM 987 N ASP A 67 0.361 13.820 3.637 1.00 0.00 N ATOM 988 CA ASP A 67 0.611 13.933 5.069 1.00 0.00 C ATOM 989 C ASP A 67 0.167 12.670 5.800 1.00 0.00 C ATOM 990 O ASP A 67 0.577 12.421 6.934 1.00 0.00 O ATOM 991 CB ASP A 67 -0.118 15.150 5.641 1.00 0.00 C ATOM 992 CG ASP A 67 -0.099 15.178 7.156 1.00 0.00 C ATOM 993 OD1 ASP A 67 0.908 15.643 7.729 1.00 0.00 O ATOM 994 OD2 ASP A 67 -1.092 14.734 7.770 1.00 0.00 O ATOM 0 H ASP A 67 -0.492 14.281 3.320 1.00 0.00 H new ATOM 0 HA ASP A 67 1.684 14.059 5.216 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.344 16.060 5.258 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.151 15.147 5.294 1.00 0.00 H new ATOM 999 N ARG A 68 -0.673 11.876 5.144 1.00 0.00 N ATOM 1000 CA ARG A 68 -1.174 10.640 5.732 1.00 0.00 C ATOM 1001 C ARG A 68 -0.177 9.502 5.536 1.00 0.00 C ATOM 1002 O ARG A 68 0.331 9.290 4.434 1.00 0.00 O ATOM 1003 CB ARG A 68 -2.521 10.265 5.112 1.00 0.00 C ATOM 1004 CG ARG A 68 -3.345 9.321 5.972 1.00 0.00 C ATOM 1005 CD ARG A 68 -4.186 10.082 6.986 1.00 0.00 C ATOM 1006 NE ARG A 68 -3.435 10.389 8.200 1.00 0.00 N ATOM 1007 CZ ARG A 68 -3.914 11.131 9.192 1.00 0.00 C ATOM 1008 NH1 ARG A 68 -5.136 11.640 9.114 1.00 0.00 N ATOM 1009 NH2 ARG A 68 -3.169 11.366 10.265 1.00 0.00 N ATOM 0 H ARG A 68 -1.021 12.067 4.204 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.307 10.803 6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.095 11.174 4.933 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.348 9.801 4.141 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.995 8.721 5.335 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.683 8.630 6.493 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.544 11.009 6.537 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.065 9.492 7.243 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.491 10.013 8.291 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.711 11.462 8.291 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.501 12.209 9.878 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.228 10.977 10.328 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.537 11.936 11.027 1.00 0.00 H new ATOM 1023 N TYR A 69 0.099 8.773 6.612 1.00 0.00 N ATOM 1024 CA TYR A 69 1.038 7.658 6.559 1.00 0.00 C ATOM 1025 C TYR A 69 0.321 6.331 6.790 1.00 0.00 C ATOM 1026 O TYR A 69 0.955 5.308 7.049 1.00 0.00 O ATOM 1027 CB TYR A 69 2.141 7.843 7.602 1.00 0.00 C ATOM 1028 CG TYR A 69 3.328 8.631 7.095 1.00 0.00 C ATOM 1029 CD1 TYR A 69 3.151 9.770 6.320 1.00 0.00 C ATOM 1030 CD2 TYR A 69 4.627 8.236 7.392 1.00 0.00 C ATOM 1031 CE1 TYR A 69 4.232 10.492 5.854 1.00 0.00 C ATOM 1032 CE2 TYR A 69 5.714 8.953 6.931 1.00 0.00 C ATOM 1033 CZ TYR A 69 5.512 10.080 6.162 1.00 0.00 C ATOM 1034 OH TYR A 69 6.592 10.797 5.701 1.00 0.00 O ATOM 0 H TYR A 69 -0.314 8.934 7.531 1.00 0.00 H new ATOM 0 HA TYR A 69 1.486 7.640 5.566 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.725 8.349 8.473 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.482 6.863 7.936 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.151 10.097 6.078 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.789 7.354 7.993 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.076 11.375 5.252 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.717 8.633 7.172 1.00 0.00 H new ATOM 0 HH TYR A 69 7.203 10.983 6.445 1.00 0.00 H new ATOM 1044 N TRP A 70 -1.003 6.358 6.695 1.00 0.00 N ATOM 1045 CA TRP A 70 -1.808 5.157 6.893 1.00 0.00 C ATOM 1046 C TRP A 70 -3.008 5.145 5.953 1.00 0.00 C ATOM 1047 O TRP A 70 -3.540 6.196 5.597 1.00 0.00 O ATOM 1048 CB TRP A 70 -2.280 5.069 8.345 1.00 0.00 C ATOM 1049 CG TRP A 70 -3.278 6.126 8.710 1.00 0.00 C ATOM 1050 CD1 TRP A 70 -3.016 7.335 9.290 1.00 0.00 C ATOM 1051 CD2 TRP A 70 -4.696 6.068 8.521 1.00 0.00 C ATOM 1052 NE1 TRP A 70 -4.186 8.031 9.473 1.00 0.00 N ATOM 1053 CE2 TRP A 70 -5.231 7.277 9.009 1.00 0.00 C ATOM 1054 CE3 TRP A 70 -5.566 5.114 7.986 1.00 0.00 C ATOM 1055 CZ2 TRP A 70 -6.595 7.553 8.977 1.00 0.00 C ATOM 1056 CZ3 TRP A 70 -6.919 5.390 7.956 1.00 0.00 C ATOM 1057 CH2 TRP A 70 -7.424 6.601 8.448 1.00 0.00 C ATOM 0 H TRP A 70 -1.542 7.197 6.482 1.00 0.00 H new ATOM 0 HA TRP A 70 -1.186 4.291 6.668 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.722 4.087 8.517 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.417 5.151 9.006 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.034 7.691 9.564 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.264 8.960 9.888 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.187 4.178 7.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -6.985 8.486 9.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.600 4.659 7.546 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.487 6.787 8.409 1.00 0.00 H new ATOM 1068 N HIS A 71 -3.430 3.949 5.554 1.00 0.00 N ATOM 1069 CA HIS A 71 -4.569 3.801 4.655 1.00 0.00 C ATOM 1070 C HIS A 71 -5.250 2.451 4.859 1.00 0.00 C ATOM 1071 O HIS A 71 -4.591 1.449 5.138 1.00 0.00 O ATOM 1072 CB HIS A 71 -4.120 3.945 3.201 1.00 0.00 C ATOM 1073 CG HIS A 71 -5.227 3.752 2.210 1.00 0.00 C ATOM 1074 ND1 HIS A 71 -6.142 4.737 1.903 1.00 0.00 N ATOM 1075 CD2 HIS A 71 -5.562 2.680 1.455 1.00 0.00 C ATOM 1076 CE1 HIS A 71 -6.993 4.278 1.003 1.00 0.00 C ATOM 1077 NE2 HIS A 71 -6.663 3.033 0.714 1.00 0.00 N ATOM 0 H HIS A 71 -3.000 3.069 5.839 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.287 4.588 4.885 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.686 4.935 3.060 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.332 3.219 2.999 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.058 1.725 1.438 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.819 4.828 0.576 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.147 2.431 0.048 1.00 0.00 H new ATOM 1086 N SER A 72 -6.571 2.432 4.718 1.00 0.00 N ATOM 1087 CA SER A 72 -7.341 1.206 4.890 1.00 0.00 C ATOM 1088 C SER A 72 -8.013 0.797 3.583 1.00 0.00 C ATOM 1089 O SER A 72 -8.994 1.408 3.159 1.00 0.00 O ATOM 1090 CB SER A 72 -8.396 1.391 5.983 1.00 0.00 C ATOM 1091 OG SER A 72 -9.246 2.487 5.690 1.00 0.00 O ATOM 0 H SER A 72 -7.131 3.252 4.485 1.00 0.00 H new ATOM 0 HA SER A 72 -6.654 0.414 5.187 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.989 0.482 6.078 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.906 1.553 6.943 1.00 0.00 H new ATOM 0 HG SER A 72 -9.449 2.496 4.731 1.00 0.00 H new ATOM 1097 N ILE A 73 -7.475 -0.239 2.948 1.00 0.00 N ATOM 1098 CA ILE A 73 -8.022 -0.731 1.690 1.00 0.00 C ATOM 1099 C ILE A 73 -9.363 -1.424 1.906 1.00 0.00 C ATOM 1100 O ILE A 73 -9.607 -2.010 2.961 1.00 0.00 O ATOM 1101 CB ILE A 73 -7.056 -1.711 1.000 1.00 0.00 C ATOM 1102 CG1 ILE A 73 -5.650 -1.111 0.931 1.00 0.00 C ATOM 1103 CG2 ILE A 73 -7.558 -2.060 -0.393 1.00 0.00 C ATOM 1104 CD1 ILE A 73 -4.559 -2.146 0.765 1.00 0.00 C ATOM 0 H ILE A 73 -6.661 -0.754 3.284 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.164 0.138 1.048 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.012 -2.628 1.588 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.604 -0.409 0.098 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.462 -0.540 1.840 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.863 -2.754 -0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.541 -2.524 -0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.629 -1.152 -0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.590 -1.649 0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.578 -2.834 1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.722 -2.701 -0.159 1.00 0.00 H new ATOM 1116 N SER A 74 -10.229 -1.355 0.900 1.00 0.00 N ATOM 1117 CA SER A 74 -11.546 -1.975 0.981 1.00 0.00 C ATOM 1118 C SER A 74 -11.878 -2.716 -0.311 1.00 0.00 C ATOM 1119 O SER A 74 -11.109 -2.687 -1.272 1.00 0.00 O ATOM 1120 CB SER A 74 -12.614 -0.916 1.263 1.00 0.00 C ATOM 1121 OG SER A 74 -12.127 0.076 2.150 1.00 0.00 O ATOM 0 H SER A 74 -10.042 -0.876 0.019 1.00 0.00 H new ATOM 0 HA SER A 74 -11.532 -2.695 1.799 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.925 -0.451 0.328 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.497 -1.390 1.692 1.00 0.00 H new ATOM 0 HG SER A 74 -12.828 0.742 2.313 1.00 0.00 H new ATOM 1127 N HIS A 75 -13.029 -3.381 -0.325 1.00 0.00 N ATOM 1128 CA HIS A 75 -13.464 -4.130 -1.498 1.00 0.00 C ATOM 1129 C HIS A 75 -12.467 -5.233 -1.839 1.00 0.00 C ATOM 1130 O HIS A 75 -12.070 -5.391 -2.994 1.00 0.00 O ATOM 1131 CB HIS A 75 -13.634 -3.193 -2.694 1.00 0.00 C ATOM 1132 CG HIS A 75 -14.827 -2.294 -2.586 1.00 0.00 C ATOM 1133 ND1 HIS A 75 -15.756 -2.152 -3.595 1.00 0.00 N ATOM 1134 CD2 HIS A 75 -15.241 -1.489 -1.579 1.00 0.00 C ATOM 1135 CE1 HIS A 75 -16.689 -1.297 -3.214 1.00 0.00 C ATOM 1136 NE2 HIS A 75 -16.400 -0.881 -1.994 1.00 0.00 N ATOM 0 H HIS A 75 -13.677 -3.416 0.462 1.00 0.00 H new ATOM 0 HA HIS A 75 -14.425 -4.591 -1.268 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -12.737 -2.582 -2.797 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -13.720 -3.789 -3.603 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -14.751 -1.351 -0.627 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -17.543 -0.991 -3.800 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -16.949 -0.216 -1.449 1.00 0.00 H new ATOM 1145 N LEU A 76 -12.065 -5.994 -0.827 1.00 0.00 N ATOM 1146 CA LEU A 76 -11.114 -7.083 -1.019 1.00 0.00 C ATOM 1147 C LEU A 76 -11.784 -8.436 -0.806 1.00 0.00 C ATOM 1148 O LEU A 76 -12.983 -8.510 -0.539 1.00 0.00 O ATOM 1149 CB LEU A 76 -9.933 -6.929 -0.059 1.00 0.00 C ATOM 1150 CG LEU A 76 -9.365 -5.517 0.086 1.00 0.00 C ATOM 1151 CD1 LEU A 76 -8.725 -5.337 1.454 1.00 0.00 C ATOM 1152 CD2 LEU A 76 -8.358 -5.231 -1.018 1.00 0.00 C ATOM 0 H LEU A 76 -12.383 -5.877 0.135 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.749 -7.037 -2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.244 -7.277 0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.132 -7.589 -0.392 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.185 -4.805 -0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.326 -4.326 1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.473 -5.498 2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.916 -6.057 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.964 -4.222 -0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.540 -5.949 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.847 -5.317 -1.988 1.00 0.00 H new ATOM 1164 N GLN A 77 -11.001 -9.504 -0.923 1.00 0.00 N ATOM 1165 CA GLN A 77 -11.520 -10.855 -0.742 1.00 0.00 C ATOM 1166 C GLN A 77 -11.225 -11.366 0.664 1.00 0.00 C ATOM 1167 O GLN A 77 -10.146 -11.151 1.217 1.00 0.00 O ATOM 1168 CB GLN A 77 -10.912 -11.800 -1.779 1.00 0.00 C ATOM 1169 CG GLN A 77 -10.997 -11.276 -3.204 1.00 0.00 C ATOM 1170 CD GLN A 77 -10.015 -10.153 -3.472 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -10.409 -9.024 -3.764 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -8.726 -10.458 -3.373 1.00 0.00 N ATOM 0 H GLN A 77 -10.006 -9.460 -1.142 1.00 0.00 H new ATOM 0 HA GLN A 77 -12.601 -10.824 -0.879 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.866 -11.977 -1.528 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -11.421 -12.762 -1.724 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.807 -12.093 -3.900 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.010 -10.922 -3.397 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -8.444 -11.407 -3.128 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -8.018 -9.743 -3.542 1.00 0.00 H new ATOM 1181 N PRO A 78 -12.206 -12.061 1.259 1.00 0.00 N ATOM 1182 CA PRO A 78 -12.076 -12.618 2.609 1.00 0.00 C ATOM 1183 C PRO A 78 -11.088 -13.778 2.664 1.00 0.00 C ATOM 1184 O PRO A 78 -10.868 -14.465 1.667 1.00 0.00 O ATOM 1185 CB PRO A 78 -13.491 -13.105 2.930 1.00 0.00 C ATOM 1186 CG PRO A 78 -14.112 -13.367 1.602 1.00 0.00 C ATOM 1187 CD PRO A 78 -13.519 -12.356 0.660 1.00 0.00 C ATOM 0 HA PRO A 78 -11.693 -11.884 3.318 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -13.470 -14.007 3.542 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.051 -12.354 3.488 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.902 -14.383 1.267 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -15.196 -13.265 1.651 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.420 -12.757 -0.349 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -14.138 -11.462 0.588 1.00 0.00 H new ATOM 1195 N GLU A 79 -10.496 -13.991 3.836 1.00 0.00 N ATOM 1196 CA GLU A 79 -9.531 -15.069 4.019 1.00 0.00 C ATOM 1197 C GLU A 79 -8.722 -15.297 2.745 1.00 0.00 C ATOM 1198 O GLU A 79 -8.421 -16.435 2.382 1.00 0.00 O ATOM 1199 CB GLU A 79 -10.246 -16.360 4.421 1.00 0.00 C ATOM 1200 CG GLU A 79 -11.601 -16.538 3.755 1.00 0.00 C ATOM 1201 CD GLU A 79 -12.290 -17.823 4.171 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -11.582 -18.794 4.510 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -13.539 -17.858 4.157 1.00 0.00 O ATOM 0 H GLU A 79 -10.668 -13.432 4.672 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.846 -14.778 4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.612 -17.210 4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.378 -16.371 5.503 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.239 -15.690 4.005 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.473 -16.532 2.673 1.00 0.00 H new ATOM 1210 N THR A 80 -8.374 -14.207 2.069 1.00 0.00 N ATOM 1211 CA THR A 80 -7.602 -14.287 0.835 1.00 0.00 C ATOM 1212 C THR A 80 -6.191 -13.746 1.034 1.00 0.00 C ATOM 1213 O THR A 80 -5.985 -12.534 1.111 1.00 0.00 O ATOM 1214 CB THR A 80 -8.283 -13.507 -0.305 1.00 0.00 C ATOM 1215 OG1 THR A 80 -9.651 -13.912 -0.427 1.00 0.00 O ATOM 1216 CG2 THR A 80 -7.562 -13.738 -1.624 1.00 0.00 C ATOM 0 H THR A 80 -8.615 -13.258 2.355 1.00 0.00 H new ATOM 0 HA THR A 80 -7.549 -15.341 0.563 1.00 0.00 H new ATOM 0 HB THR A 80 -8.239 -12.445 -0.065 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.889 -14.492 0.326 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.061 -13.177 -2.414 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.529 -13.402 -1.537 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.579 -14.800 -1.867 1.00 0.00 H new ATOM 1224 N SER A 81 -5.221 -14.651 1.115 1.00 0.00 N ATOM 1225 CA SER A 81 -3.828 -14.264 1.307 1.00 0.00 C ATOM 1226 C SER A 81 -3.221 -13.752 0.004 1.00 0.00 C ATOM 1227 O SER A 81 -2.936 -14.529 -0.907 1.00 0.00 O ATOM 1228 CB SER A 81 -3.015 -15.449 1.831 1.00 0.00 C ATOM 1229 OG SER A 81 -1.936 -15.011 2.639 1.00 0.00 O ATOM 0 H SER A 81 -5.374 -15.657 1.051 1.00 0.00 H new ATOM 0 HA SER A 81 -3.798 -13.459 2.042 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.661 -16.110 2.409 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.632 -16.031 0.992 1.00 0.00 H new ATOM 0 HG SER A 81 -1.433 -15.788 2.963 1.00 0.00 H new ATOM 1235 N TYR A 82 -3.027 -12.441 -0.075 1.00 0.00 N ATOM 1236 CA TYR A 82 -2.457 -11.823 -1.267 1.00 0.00 C ATOM 1237 C TYR A 82 -1.376 -10.813 -0.893 1.00 0.00 C ATOM 1238 O TYR A 82 -1.373 -10.271 0.212 1.00 0.00 O ATOM 1239 CB TYR A 82 -3.552 -11.136 -2.085 1.00 0.00 C ATOM 1240 CG TYR A 82 -4.444 -10.232 -1.264 1.00 0.00 C ATOM 1241 CD1 TYR A 82 -4.009 -8.976 -0.860 1.00 0.00 C ATOM 1242 CD2 TYR A 82 -5.720 -10.634 -0.892 1.00 0.00 C ATOM 1243 CE1 TYR A 82 -4.819 -8.146 -0.109 1.00 0.00 C ATOM 1244 CE2 TYR A 82 -6.538 -9.811 -0.143 1.00 0.00 C ATOM 1245 CZ TYR A 82 -6.084 -8.568 0.246 1.00 0.00 C ATOM 1246 OH TYR A 82 -6.895 -7.746 0.994 1.00 0.00 O ATOM 0 H TYR A 82 -3.256 -11.785 0.672 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.002 -12.609 -1.870 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.088 -10.551 -2.879 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.165 -11.897 -2.567 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.020 -8.642 -1.138 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.079 -11.607 -1.194 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.464 -7.173 0.198 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.528 -10.139 0.137 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.789 -8.142 1.063 1.00 0.00 H new ATOM 1256 N ASP A 83 -0.461 -10.565 -1.823 1.00 0.00 N ATOM 1257 CA ASP A 83 0.625 -9.619 -1.594 1.00 0.00 C ATOM 1258 C ASP A 83 0.120 -8.182 -1.677 1.00 0.00 C ATOM 1259 O ASP A 83 -0.862 -7.897 -2.363 1.00 0.00 O ATOM 1260 CB ASP A 83 1.745 -9.839 -2.613 1.00 0.00 C ATOM 1261 CG ASP A 83 2.575 -11.070 -2.304 1.00 0.00 C ATOM 1262 OD1 ASP A 83 2.117 -12.188 -2.621 1.00 0.00 O ATOM 1263 OD2 ASP A 83 3.681 -10.915 -1.746 1.00 0.00 O ATOM 0 H ASP A 83 -0.449 -11.006 -2.743 1.00 0.00 H new ATOM 0 HA ASP A 83 1.018 -9.790 -0.592 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.312 -9.937 -3.609 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.393 -8.963 -2.631 1.00 0.00 H new ATOM 1268 N ILE A 84 0.797 -7.281 -0.973 1.00 0.00 N ATOM 1269 CA ILE A 84 0.417 -5.874 -0.967 1.00 0.00 C ATOM 1270 C ILE A 84 1.647 -4.973 -0.950 1.00 0.00 C ATOM 1271 O ILE A 84 2.596 -5.212 -0.203 1.00 0.00 O ATOM 1272 CB ILE A 84 -0.470 -5.536 0.245 1.00 0.00 C ATOM 1273 CG1 ILE A 84 -1.752 -6.371 0.215 1.00 0.00 C ATOM 1274 CG2 ILE A 84 -0.799 -4.051 0.263 1.00 0.00 C ATOM 1275 CD1 ILE A 84 -2.405 -6.525 1.571 1.00 0.00 C ATOM 0 H ILE A 84 1.611 -7.500 -0.399 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.149 -5.696 -1.882 1.00 0.00 H new ATOM 0 HB ILE A 84 0.078 -5.778 1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.462 -5.908 -0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.523 -7.359 -0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.427 -3.828 1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.124 -3.475 0.327 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.330 -3.785 -0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.308 -7.128 1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.712 -7.016 2.255 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.666 -5.542 1.963 1.00 0.00 H new ATOM 1287 N LYS A 85 1.623 -3.933 -1.776 1.00 0.00 N ATOM 1288 CA LYS A 85 2.734 -2.992 -1.855 1.00 0.00 C ATOM 1289 C LYS A 85 2.229 -1.574 -2.105 1.00 0.00 C ATOM 1290 O LYS A 85 1.034 -1.357 -2.304 1.00 0.00 O ATOM 1291 CB LYS A 85 3.700 -3.403 -2.968 1.00 0.00 C ATOM 1292 CG LYS A 85 3.245 -2.983 -4.355 1.00 0.00 C ATOM 1293 CD LYS A 85 4.222 -3.441 -5.425 1.00 0.00 C ATOM 1294 CE LYS A 85 3.866 -4.823 -5.950 1.00 0.00 C ATOM 1295 NZ LYS A 85 5.007 -5.455 -6.668 1.00 0.00 N ATOM 0 H LYS A 85 0.845 -3.720 -2.401 1.00 0.00 H new ATOM 0 HA LYS A 85 3.260 -3.009 -0.901 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.678 -2.966 -2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.824 -4.486 -2.948 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.259 -3.402 -4.558 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.145 -1.898 -4.393 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.222 -2.727 -6.248 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.232 -3.455 -5.015 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.562 -5.460 -5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.011 -4.747 -6.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.724 -6.395 -7.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.281 -4.860 -7.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.815 -5.551 -6.020 1.00 0.00 H new ATOM 1309 N MET A 86 3.147 -0.613 -2.094 1.00 0.00 N ATOM 1310 CA MET A 86 2.795 0.783 -2.322 1.00 0.00 C ATOM 1311 C MET A 86 3.984 1.561 -2.877 1.00 0.00 C ATOM 1312 O MET A 86 5.076 1.015 -3.030 1.00 0.00 O ATOM 1313 CB MET A 86 2.311 1.428 -1.022 1.00 0.00 C ATOM 1314 CG MET A 86 3.318 1.336 0.113 1.00 0.00 C ATOM 1315 SD MET A 86 2.909 2.422 1.494 1.00 0.00 S ATOM 1316 CE MET A 86 2.563 3.952 0.630 1.00 0.00 C ATOM 0 H MET A 86 4.140 -0.776 -1.930 1.00 0.00 H new ATOM 0 HA MET A 86 1.990 0.813 -3.056 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.082 2.477 -1.210 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.382 0.949 -0.712 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.367 0.306 0.468 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.309 1.591 -0.264 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.848 4.797 1.257 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.132 3.982 -0.299 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.498 4.010 0.405 1.00 0.00 H new ATOM 1326 N GLN A 87 3.763 2.837 -3.177 1.00 0.00 N ATOM 1327 CA GLN A 87 4.817 3.687 -3.717 1.00 0.00 C ATOM 1328 C GLN A 87 4.407 5.156 -3.673 1.00 0.00 C ATOM 1329 O GLN A 87 3.237 5.490 -3.860 1.00 0.00 O ATOM 1330 CB GLN A 87 5.145 3.280 -5.154 1.00 0.00 C ATOM 1331 CG GLN A 87 6.002 4.295 -5.894 1.00 0.00 C ATOM 1332 CD GLN A 87 5.179 5.389 -6.545 1.00 0.00 C ATOM 1333 OE1 GLN A 87 4.042 5.646 -6.148 1.00 0.00 O ATOM 1334 NE2 GLN A 87 5.751 6.042 -7.550 1.00 0.00 N ATOM 0 H GLN A 87 2.864 3.304 -3.055 1.00 0.00 H new ATOM 0 HA GLN A 87 5.706 3.557 -3.099 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.662 2.321 -5.142 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.215 3.134 -5.703 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.710 4.744 -5.197 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.587 3.783 -6.658 1.00 0.00 H new ATOM 0 HE21 GLN A 87 6.696 5.796 -7.846 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.246 6.790 -8.026 1.00 0.00 H new ATOM 1343 N CYS A 88 5.378 6.028 -3.424 1.00 0.00 N ATOM 1344 CA CYS A 88 5.117 7.462 -3.354 1.00 0.00 C ATOM 1345 C CYS A 88 5.354 8.124 -4.708 1.00 0.00 C ATOM 1346 O CYS A 88 6.142 7.638 -5.519 1.00 0.00 O ATOM 1347 CB CYS A 88 6.006 8.111 -2.293 1.00 0.00 C ATOM 1348 SG CYS A 88 7.710 8.394 -2.829 1.00 0.00 S ATOM 0 H CYS A 88 6.352 5.768 -3.267 1.00 0.00 H new ATOM 0 HA CYS A 88 4.072 7.604 -3.078 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.566 9.064 -1.999 1.00 0.00 H new ATOM 0 HB3 CYS A 88 6.016 7.478 -1.406 1.00 0.00 H new ATOM 0 HG CYS A 88 8.382 8.948 -1.864 1.00 0.00 H new ATOM 1354 N PHE A 89 4.665 9.235 -4.945 1.00 0.00 N ATOM 1355 CA PHE A 89 4.798 9.963 -6.202 1.00 0.00 C ATOM 1356 C PHE A 89 4.487 11.444 -6.008 1.00 0.00 C ATOM 1357 O PHE A 89 3.725 11.818 -5.118 1.00 0.00 O ATOM 1358 CB PHE A 89 3.867 9.369 -7.261 1.00 0.00 C ATOM 1359 CG PHE A 89 2.430 9.771 -7.089 1.00 0.00 C ATOM 1360 CD1 PHE A 89 1.705 9.347 -5.986 1.00 0.00 C ATOM 1361 CD2 PHE A 89 1.803 10.572 -8.030 1.00 0.00 C ATOM 1362 CE1 PHE A 89 0.383 9.716 -5.824 1.00 0.00 C ATOM 1363 CE2 PHE A 89 0.481 10.944 -7.873 1.00 0.00 C ATOM 1364 CZ PHE A 89 -0.230 10.515 -6.770 1.00 0.00 C ATOM 0 H PHE A 89 4.009 9.651 -4.284 1.00 0.00 H new ATOM 0 HA PHE A 89 5.830 9.868 -6.541 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.207 9.681 -8.249 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.938 8.282 -7.227 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.179 8.721 -5.245 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.353 10.909 -8.896 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.170 9.380 -4.959 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.004 11.570 -8.613 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.263 10.803 -6.647 1.00 0.00 H new ATOM 1374 N ASN A 90 5.084 12.283 -6.849 1.00 0.00 N ATOM 1375 CA ASN A 90 4.872 13.724 -6.770 1.00 0.00 C ATOM 1376 C ASN A 90 5.468 14.428 -7.985 1.00 0.00 C ATOM 1377 O ASN A 90 6.001 13.785 -8.888 1.00 0.00 O ATOM 1378 CB ASN A 90 5.493 14.282 -5.487 1.00 0.00 C ATOM 1379 CG ASN A 90 6.933 14.716 -5.683 1.00 0.00 C ATOM 1380 OD1 ASN A 90 7.246 15.905 -5.638 1.00 0.00 O ATOM 1381 ND2 ASN A 90 7.817 13.749 -5.904 1.00 0.00 N ATOM 0 H ASN A 90 5.718 11.990 -7.592 1.00 0.00 H new ATOM 0 HA ASN A 90 3.798 13.909 -6.756 1.00 0.00 H new ATOM 0 HB2 ASN A 90 4.904 15.132 -5.141 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.448 13.524 -4.705 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.801 13.980 -6.045 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.512 12.776 -5.933 1.00 0.00 H new ATOM 1388 N GLU A 91 5.373 15.754 -7.999 1.00 0.00 N ATOM 1389 CA GLU A 91 5.902 16.546 -9.103 1.00 0.00 C ATOM 1390 C GLU A 91 7.263 16.019 -9.547 1.00 0.00 C ATOM 1391 O GLU A 91 7.604 16.065 -10.728 1.00 0.00 O ATOM 1392 CB GLU A 91 6.020 18.016 -8.696 1.00 0.00 C ATOM 1393 CG GLU A 91 6.772 18.228 -7.392 1.00 0.00 C ATOM 1394 CD GLU A 91 7.049 19.691 -7.110 1.00 0.00 C ATOM 1395 OE1 GLU A 91 6.194 20.345 -6.477 1.00 0.00 O ATOM 1396 OE2 GLU A 91 8.120 20.183 -7.522 1.00 0.00 O ATOM 0 H GLU A 91 4.935 16.302 -7.259 1.00 0.00 H new ATOM 0 HA GLU A 91 5.209 16.463 -9.940 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.525 18.565 -9.491 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.020 18.440 -8.602 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.193 17.807 -6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.716 17.684 -7.429 1.00 0.00 H new ATOM 1403 N GLY A 92 8.038 15.518 -8.590 1.00 0.00 N ATOM 1404 CA GLY A 92 9.354 14.990 -8.900 1.00 0.00 C ATOM 1405 C GLY A 92 9.293 13.780 -9.811 1.00 0.00 C ATOM 1406 O GLY A 92 10.011 13.706 -10.807 1.00 0.00 O ATOM 0 H GLY A 92 7.778 15.468 -7.605 1.00 0.00 H new ATOM 0 HA2 GLY A 92 9.952 15.768 -9.374 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.861 14.719 -7.974 1.00 0.00 H new ATOM 1410 N GLY A 93 8.432 12.826 -9.468 1.00 0.00 N ATOM 1411 CA GLY A 93 8.297 11.624 -10.271 1.00 0.00 C ATOM 1412 C GLY A 93 8.103 10.381 -9.426 1.00 0.00 C ATOM 1413 O GLY A 93 8.684 10.258 -8.348 1.00 0.00 O ATOM 0 H GLY A 93 7.826 12.864 -8.649 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.449 11.736 -10.947 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.185 11.503 -10.891 1.00 0.00 H new ATOM 1417 N GLU A 94 7.281 9.457 -9.915 1.00 0.00 N ATOM 1418 CA GLU A 94 7.010 8.219 -9.196 1.00 0.00 C ATOM 1419 C GLU A 94 8.288 7.655 -8.581 1.00 0.00 C ATOM 1420 O GLU A 94 9.346 7.661 -9.209 1.00 0.00 O ATOM 1421 CB GLU A 94 6.383 7.185 -10.134 1.00 0.00 C ATOM 1422 CG GLU A 94 4.919 7.449 -10.440 1.00 0.00 C ATOM 1423 CD GLU A 94 4.469 6.807 -11.738 1.00 0.00 C ATOM 1424 OE1 GLU A 94 4.646 7.433 -12.803 1.00 0.00 O ATOM 1425 OE2 GLU A 94 3.940 5.676 -11.687 1.00 0.00 O ATOM 0 H GLU A 94 6.792 9.543 -10.806 1.00 0.00 H new ATOM 0 HA GLU A 94 6.309 8.442 -8.392 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.943 7.168 -11.069 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.479 6.196 -9.687 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.307 7.071 -9.621 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.751 8.525 -10.494 1.00 0.00 H new ATOM 1432 N SER A 95 8.181 7.171 -7.348 1.00 0.00 N ATOM 1433 CA SER A 95 9.328 6.608 -6.646 1.00 0.00 C ATOM 1434 C SER A 95 9.387 5.094 -6.827 1.00 0.00 C ATOM 1435 O SER A 95 8.522 4.502 -7.471 1.00 0.00 O ATOM 1436 CB SER A 95 9.260 6.952 -5.157 1.00 0.00 C ATOM 1437 OG SER A 95 10.482 6.646 -4.506 1.00 0.00 O ATOM 0 H SER A 95 7.312 7.157 -6.815 1.00 0.00 H new ATOM 0 HA SER A 95 10.232 7.043 -7.072 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.035 8.012 -5.035 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.446 6.398 -4.689 1.00 0.00 H new ATOM 0 HG SER A 95 10.541 7.149 -3.667 1.00 0.00 H new ATOM 1443 N GLU A 96 10.414 4.475 -6.254 1.00 0.00 N ATOM 1444 CA GLU A 96 10.587 3.030 -6.353 1.00 0.00 C ATOM 1445 C GLU A 96 9.443 2.297 -5.658 1.00 0.00 C ATOM 1446 O GLU A 96 8.717 2.879 -4.852 1.00 0.00 O ATOM 1447 CB GLU A 96 11.924 2.611 -5.739 1.00 0.00 C ATOM 1448 CG GLU A 96 13.131 3.212 -6.440 1.00 0.00 C ATOM 1449 CD GLU A 96 13.335 2.650 -7.834 1.00 0.00 C ATOM 1450 OE1 GLU A 96 12.490 2.923 -8.712 1.00 0.00 O ATOM 1451 OE2 GLU A 96 14.339 1.939 -8.047 1.00 0.00 O ATOM 0 H GLU A 96 11.139 4.951 -5.717 1.00 0.00 H new ATOM 0 HA GLU A 96 10.580 2.760 -7.409 1.00 0.00 H new ATOM 0 HB2 GLU A 96 11.940 2.905 -4.690 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.002 1.524 -5.767 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.009 4.293 -6.502 1.00 0.00 H new ATOM 0 HG3 GLU A 96 14.024 3.026 -5.843 1.00 0.00 H new ATOM 1458 N PHE A 97 9.290 1.016 -5.976 1.00 0.00 N ATOM 1459 CA PHE A 97 8.235 0.202 -5.384 1.00 0.00 C ATOM 1460 C PHE A 97 8.670 -0.353 -4.031 1.00 0.00 C ATOM 1461 O PHE A 97 9.633 -1.114 -3.941 1.00 0.00 O ATOM 1462 CB PHE A 97 7.860 -0.947 -6.323 1.00 0.00 C ATOM 1463 CG PHE A 97 6.999 -0.521 -7.478 1.00 0.00 C ATOM 1464 CD1 PHE A 97 7.570 -0.025 -8.639 1.00 0.00 C ATOM 1465 CD2 PHE A 97 5.619 -0.616 -7.402 1.00 0.00 C ATOM 1466 CE1 PHE A 97 6.781 0.367 -9.703 1.00 0.00 C ATOM 1467 CE2 PHE A 97 4.824 -0.226 -8.463 1.00 0.00 C ATOM 1468 CZ PHE A 97 5.406 0.268 -9.615 1.00 0.00 C ATOM 0 H PHE A 97 9.883 0.519 -6.640 1.00 0.00 H new ATOM 0 HA PHE A 97 7.363 0.838 -5.232 1.00 0.00 H new ATOM 0 HB2 PHE A 97 8.772 -1.403 -6.709 1.00 0.00 H new ATOM 0 HB3 PHE A 97 7.336 -1.715 -5.754 1.00 0.00 H new ATOM 0 HD1 PHE A 97 8.644 0.056 -8.713 1.00 0.00 H new ATOM 0 HD2 PHE A 97 5.159 -0.999 -6.503 1.00 0.00 H new ATOM 0 HE1 PHE A 97 7.239 0.751 -10.603 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.749 -0.307 -8.392 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.787 0.576 -10.445 1.00 0.00 H new ATOM 1478 N SER A 98 7.953 0.034 -2.981 1.00 0.00 N ATOM 1479 CA SER A 98 8.267 -0.420 -1.632 1.00 0.00 C ATOM 1480 C SER A 98 8.325 -1.944 -1.571 1.00 0.00 C ATOM 1481 O SER A 98 8.211 -2.621 -2.592 1.00 0.00 O ATOM 1482 CB SER A 98 7.225 0.101 -0.640 1.00 0.00 C ATOM 1483 OG SER A 98 6.011 -0.620 -0.750 1.00 0.00 O ATOM 0 H SER A 98 7.151 0.661 -3.039 1.00 0.00 H new ATOM 0 HA SER A 98 9.246 -0.025 -1.361 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.611 0.016 0.376 1.00 0.00 H new ATOM 0 HB3 SER A 98 7.041 1.160 -0.824 1.00 0.00 H new ATOM 0 HG SER A 98 5.420 -0.382 -0.005 1.00 0.00 H new ATOM 1489 N ASN A 99 8.504 -2.475 -0.367 1.00 0.00 N ATOM 1490 CA ASN A 99 8.578 -3.919 -0.172 1.00 0.00 C ATOM 1491 C ASN A 99 7.200 -4.559 -0.316 1.00 0.00 C ATOM 1492 O ASN A 99 6.187 -3.865 -0.405 1.00 0.00 O ATOM 1493 CB ASN A 99 9.159 -4.239 1.207 1.00 0.00 C ATOM 1494 CG ASN A 99 8.088 -4.339 2.277 1.00 0.00 C ATOM 1495 OD1 ASN A 99 7.839 -5.414 2.822 1.00 0.00 O ATOM 1496 ND2 ASN A 99 7.450 -3.216 2.581 1.00 0.00 N ATOM 0 H ASN A 99 8.601 -1.928 0.489 1.00 0.00 H new ATOM 0 HA ASN A 99 9.233 -4.331 -0.940 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.708 -5.179 1.158 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.875 -3.466 1.485 1.00 0.00 H new ATOM 0 HD21 ASN A 99 6.719 -3.221 3.293 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.690 -2.348 2.103 1.00 0.00 H new ATOM 1503 N VAL A 100 7.171 -5.888 -0.340 1.00 0.00 N ATOM 1504 CA VAL A 100 5.918 -6.622 -0.472 1.00 0.00 C ATOM 1505 C VAL A 100 5.478 -7.204 0.867 1.00 0.00 C ATOM 1506 O VAL A 100 6.212 -7.966 1.495 1.00 0.00 O ATOM 1507 CB VAL A 100 6.043 -7.763 -1.499 1.00 0.00 C ATOM 1508 CG1 VAL A 100 4.714 -8.487 -1.656 1.00 0.00 C ATOM 1509 CG2 VAL A 100 6.527 -7.225 -2.837 1.00 0.00 C ATOM 0 H VAL A 100 8.000 -6.478 -0.270 1.00 0.00 H new ATOM 0 HA VAL A 100 5.169 -5.910 -0.819 1.00 0.00 H new ATOM 0 HB VAL A 100 6.779 -8.479 -1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.821 -9.290 -2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.413 -8.906 -0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.955 -7.784 -1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.610 -8.045 -3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.816 -6.488 -3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.502 -6.756 -2.709 1.00 0.00 H new ATOM 1519 N MET A 101 4.275 -6.839 1.297 1.00 0.00 N ATOM 1520 CA MET A 101 3.736 -7.327 2.562 1.00 0.00 C ATOM 1521 C MET A 101 2.533 -8.234 2.326 1.00 0.00 C ATOM 1522 O MET A 101 1.582 -7.854 1.641 1.00 0.00 O ATOM 1523 CB MET A 101 3.337 -6.152 3.457 1.00 0.00 C ATOM 1524 CG MET A 101 4.517 -5.314 3.922 1.00 0.00 C ATOM 1525 SD MET A 101 5.706 -6.263 4.889 1.00 0.00 S ATOM 1526 CE MET A 101 5.176 -5.872 6.555 1.00 0.00 C ATOM 0 H MET A 101 3.655 -6.208 0.789 1.00 0.00 H new ATOM 0 HA MET A 101 4.513 -7.907 3.061 1.00 0.00 H new ATOM 0 HB2 MET A 101 2.640 -5.513 2.915 1.00 0.00 H new ATOM 0 HB3 MET A 101 2.807 -6.534 4.329 1.00 0.00 H new ATOM 0 HG2 MET A 101 5.019 -4.887 3.054 1.00 0.00 H new ATOM 0 HG3 MET A 101 4.151 -4.480 4.521 1.00 0.00 H new ATOM 0 HE1 MET A 101 6.031 -5.920 7.230 1.00 0.00 H new ATOM 0 HE2 MET A 101 4.753 -4.867 6.576 1.00 0.00 H new ATOM 0 HE3 MET A 101 4.421 -6.590 6.874 1.00 0.00 H new ATOM 1536 N ILE A 102 2.580 -9.432 2.897 1.00 0.00 N ATOM 1537 CA ILE A 102 1.493 -10.392 2.749 1.00 0.00 C ATOM 1538 C ILE A 102 0.542 -10.334 3.940 1.00 0.00 C ATOM 1539 O ILE A 102 0.811 -10.915 4.991 1.00 0.00 O ATOM 1540 CB ILE A 102 2.027 -11.829 2.603 1.00 0.00 C ATOM 1541 CG1 ILE A 102 2.923 -11.941 1.368 1.00 0.00 C ATOM 1542 CG2 ILE A 102 0.872 -12.817 2.517 1.00 0.00 C ATOM 1543 CD1 ILE A 102 3.767 -13.195 1.345 1.00 0.00 C ATOM 0 H ILE A 102 3.359 -9.762 3.467 1.00 0.00 H new ATOM 0 HA ILE A 102 0.953 -10.120 1.842 1.00 0.00 H new ATOM 0 HB ILE A 102 2.622 -12.071 3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.300 -11.916 0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.578 -11.071 1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.265 -13.828 2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.270 -12.752 3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.253 -12.579 1.652 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.376 -13.207 0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.416 -13.213 2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.118 -14.071 1.357 1.00 0.00 H new ATOM 1555 N CYS A 103 -0.571 -9.629 3.767 1.00 0.00 N ATOM 1556 CA CYS A 103 -1.563 -9.495 4.827 1.00 0.00 C ATOM 1557 C CYS A 103 -2.820 -10.297 4.500 1.00 0.00 C ATOM 1558 O CYS A 103 -3.557 -9.962 3.574 1.00 0.00 O ATOM 1559 CB CYS A 103 -1.922 -8.023 5.035 1.00 0.00 C ATOM 1560 SG CYS A 103 -2.574 -7.648 6.680 1.00 0.00 S ATOM 0 H CYS A 103 -0.809 -9.142 2.903 1.00 0.00 H new ATOM 0 HA CYS A 103 -1.131 -9.889 5.747 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -1.034 -7.415 4.860 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -2.660 -7.731 4.288 1.00 0.00 H new ATOM 0 HG CYS A 103 -2.846 -6.379 6.760 1.00 0.00 H new ATOM 1566 N GLU A 104 -3.055 -11.357 5.267 1.00 0.00 N ATOM 1567 CA GLU A 104 -4.221 -12.207 5.056 1.00 0.00 C ATOM 1568 C GLU A 104 -5.475 -11.565 5.643 1.00 0.00 C ATOM 1569 O GLU A 104 -5.511 -11.206 6.821 1.00 0.00 O ATOM 1570 CB GLU A 104 -3.997 -13.583 5.686 1.00 0.00 C ATOM 1571 CG GLU A 104 -4.816 -14.688 5.040 1.00 0.00 C ATOM 1572 CD GLU A 104 -5.118 -15.825 5.997 1.00 0.00 C ATOM 1573 OE1 GLU A 104 -4.292 -16.758 6.089 1.00 0.00 O ATOM 1574 OE2 GLU A 104 -6.179 -15.783 6.653 1.00 0.00 O ATOM 0 H GLU A 104 -2.455 -11.647 6.039 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.363 -12.326 3.982 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.939 -13.838 5.616 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.243 -13.532 6.747 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.753 -14.272 4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.277 -15.078 4.177 1.00 0.00 H new ATOM 1581 N THR A 105 -6.504 -11.423 4.813 1.00 0.00 N ATOM 1582 CA THR A 105 -7.759 -10.824 5.247 1.00 0.00 C ATOM 1583 C THR A 105 -8.469 -11.710 6.264 1.00 0.00 C ATOM 1584 O THR A 105 -8.031 -12.826 6.544 1.00 0.00 O ATOM 1585 CB THR A 105 -8.703 -10.571 4.056 1.00 0.00 C ATOM 1586 OG1 THR A 105 -8.630 -11.663 3.133 1.00 0.00 O ATOM 1587 CG2 THR A 105 -8.342 -9.275 3.346 1.00 0.00 C ATOM 0 H THR A 105 -6.492 -11.715 3.836 1.00 0.00 H new ATOM 0 HA THR A 105 -7.509 -9.870 5.712 1.00 0.00 H new ATOM 0 HB THR A 105 -9.720 -10.486 4.438 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.379 -11.609 2.503 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.022 -9.117 2.509 1.00 0.00 H new ATOM 0 HG22 THR A 105 -8.427 -8.442 4.044 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.319 -9.336 2.976 1.00 0.00 H new ATOM 1595 N LYS A 106 -9.569 -11.207 6.815 1.00 0.00 N ATOM 1596 CA LYS A 106 -10.342 -11.954 7.800 1.00 0.00 C ATOM 1597 C LYS A 106 -11.278 -12.947 7.119 1.00 0.00 C ATOM 1598 O LYS A 106 -11.683 -12.746 5.974 1.00 0.00 O ATOM 1599 CB LYS A 106 -11.150 -10.995 8.678 1.00 0.00 C ATOM 1600 CG LYS A 106 -10.293 -9.998 9.439 1.00 0.00 C ATOM 1601 CD LYS A 106 -9.896 -10.532 10.805 1.00 0.00 C ATOM 1602 CE LYS A 106 -8.544 -9.990 11.244 1.00 0.00 C ATOM 1603 NZ LYS A 106 -7.424 -10.861 10.790 1.00 0.00 N ATOM 0 H LYS A 106 -9.945 -10.285 6.596 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.644 -12.510 8.426 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.857 -10.450 8.052 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.737 -11.575 9.390 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.397 -9.772 8.861 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.840 -9.063 9.558 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.654 -10.258 11.538 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.860 -11.621 10.775 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -8.408 -8.985 10.844 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.522 -9.906 12.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.520 -10.458 11.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.540 -11.813 11.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.430 -10.921 9.752 1.00 0.00 H new ATOM 1617 N ALA A 107 -11.618 -14.016 7.830 1.00 0.00 N ATOM 1618 CA ALA A 107 -12.510 -15.038 7.294 1.00 0.00 C ATOM 1619 C ALA A 107 -13.967 -14.598 7.385 1.00 0.00 C ATOM 1620 O ALA A 107 -14.437 -14.191 8.448 1.00 0.00 O ATOM 1621 CB ALA A 107 -12.307 -16.354 8.031 1.00 0.00 C ATOM 0 H ALA A 107 -11.290 -14.198 8.779 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.267 -15.182 6.241 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -12.979 -17.108 7.621 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.275 -16.683 7.910 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.522 -16.214 9.091 1.00 0.00 H new ATOM 1627 N ARG A 108 -14.676 -14.682 6.265 1.00 0.00 N ATOM 1628 CA ARG A 108 -16.080 -14.290 6.218 1.00 0.00 C ATOM 1629 C ARG A 108 -16.926 -15.191 7.114 1.00 0.00 C ATOM 1630 O ARG A 108 -16.910 -16.413 6.974 1.00 0.00 O ATOM 1631 CB ARG A 108 -16.601 -14.348 4.781 1.00 0.00 C ATOM 1632 CG ARG A 108 -16.018 -15.493 3.969 1.00 0.00 C ATOM 1633 CD ARG A 108 -17.014 -16.010 2.942 1.00 0.00 C ATOM 1634 NE ARG A 108 -17.384 -14.982 1.973 1.00 0.00 N ATOM 1635 CZ ARG A 108 -18.456 -15.059 1.193 1.00 0.00 C ATOM 1636 NH1 ARG A 108 -19.260 -16.111 1.268 1.00 0.00 N ATOM 1637 NH2 ARG A 108 -18.727 -14.083 0.336 1.00 0.00 N ATOM 0 H ARG A 108 -14.302 -15.018 5.378 1.00 0.00 H new ATOM 0 HA ARG A 108 -16.157 -13.266 6.584 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -17.687 -14.443 4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -16.372 -13.406 4.282 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -15.113 -15.158 3.463 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -15.728 -16.304 4.637 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -16.584 -16.864 2.418 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -17.909 -16.366 3.452 1.00 0.00 H new ATOM 0 HE ARG A 108 -16.786 -14.160 1.891 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -19.056 -16.863 1.926 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -20.083 -16.168 0.668 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -18.111 -13.272 0.276 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -19.551 -14.144 -0.262 1.00 0.00 H new ATOM 1651 N SER A 109 -17.662 -14.577 8.035 1.00 0.00 N ATOM 1652 CA SER A 109 -18.511 -15.323 8.956 1.00 0.00 C ATOM 1653 C SER A 109 -19.965 -14.876 8.839 1.00 0.00 C ATOM 1654 O SER A 109 -20.281 -13.701 9.021 1.00 0.00 O ATOM 1655 CB SER A 109 -18.023 -15.140 10.395 1.00 0.00 C ATOM 1656 OG SER A 109 -18.102 -13.781 10.790 1.00 0.00 O ATOM 0 H SER A 109 -17.687 -13.565 8.163 1.00 0.00 H new ATOM 0 HA SER A 109 -18.452 -16.379 8.691 1.00 0.00 H new ATOM 0 HB2 SER A 109 -18.624 -15.753 11.067 1.00 0.00 H new ATOM 0 HB3 SER A 109 -16.994 -15.488 10.481 1.00 0.00 H new ATOM 0 HG SER A 109 -18.846 -13.347 10.322 1.00 0.00 H new ATOM 1662 N GLY A 110 -20.847 -15.823 8.534 1.00 0.00 N ATOM 1663 CA GLY A 110 -22.257 -15.509 8.397 1.00 0.00 C ATOM 1664 C GLY A 110 -22.991 -16.504 7.520 1.00 0.00 C ATOM 1665 O GLY A 110 -22.426 -17.499 7.067 1.00 0.00 O ATOM 0 H GLY A 110 -20.610 -16.803 8.379 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -22.719 -15.490 9.384 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -22.364 -14.510 7.975 1.00 0.00 H new ATOM 1669 N PRO A 111 -24.281 -16.238 7.270 1.00 0.00 N ATOM 1670 CA PRO A 111 -25.122 -17.107 6.440 1.00 0.00 C ATOM 1671 C PRO A 111 -24.726 -17.063 4.968 1.00 0.00 C ATOM 1672 O PRO A 111 -23.974 -16.186 4.544 1.00 0.00 O ATOM 1673 CB PRO A 111 -26.527 -16.531 6.634 1.00 0.00 C ATOM 1674 CG PRO A 111 -26.304 -15.103 6.996 1.00 0.00 C ATOM 1675 CD PRO A 111 -25.020 -15.069 7.777 1.00 0.00 C ATOM 0 HA PRO A 111 -25.033 -18.155 6.726 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -27.121 -16.621 5.724 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -27.066 -17.059 7.420 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -26.235 -14.481 6.104 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -27.132 -14.717 7.590 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -24.471 -14.142 7.608 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -25.200 -15.142 8.850 1.00 0.00 H new ATOM 1683 N SER A 112 -25.237 -18.015 4.194 1.00 0.00 N ATOM 1684 CA SER A 112 -24.934 -18.087 2.770 1.00 0.00 C ATOM 1685 C SER A 112 -25.922 -17.252 1.961 1.00 0.00 C ATOM 1686 O SER A 112 -25.528 -16.378 1.189 1.00 0.00 O ATOM 1687 CB SER A 112 -24.966 -19.540 2.292 1.00 0.00 C ATOM 1688 OG SER A 112 -23.717 -20.174 2.504 1.00 0.00 O ATOM 0 H SER A 112 -25.863 -18.747 4.529 1.00 0.00 H new ATOM 0 HA SER A 112 -23.933 -17.684 2.617 1.00 0.00 H new ATOM 0 HB2 SER A 112 -25.748 -20.083 2.822 1.00 0.00 H new ATOM 0 HB3 SER A 112 -25.218 -19.572 1.232 1.00 0.00 H new ATOM 0 HG SER A 112 -23.764 -21.102 2.192 1.00 0.00 H new ATOM 1694 N SER A 113 -27.210 -17.528 2.145 1.00 0.00 N ATOM 1695 CA SER A 113 -28.256 -16.806 1.431 1.00 0.00 C ATOM 1696 C SER A 113 -29.553 -16.793 2.234 1.00 0.00 C ATOM 1697 O SER A 113 -29.813 -17.695 3.029 1.00 0.00 O ATOM 1698 CB SER A 113 -28.498 -17.441 0.060 1.00 0.00 C ATOM 1699 OG SER A 113 -27.380 -17.260 -0.791 1.00 0.00 O ATOM 0 H SER A 113 -27.553 -18.246 2.783 1.00 0.00 H new ATOM 0 HA SER A 113 -27.924 -15.777 1.294 1.00 0.00 H new ATOM 0 HB2 SER A 113 -28.699 -18.506 0.179 1.00 0.00 H new ATOM 0 HB3 SER A 113 -29.383 -16.999 -0.398 1.00 0.00 H new ATOM 0 HG SER A 113 -26.662 -16.811 -0.297 1.00 0.00 H new ATOM 1705 N GLY A 114 -30.364 -15.761 2.021 1.00 0.00 N ATOM 1706 CA GLY A 114 -31.624 -15.649 2.732 1.00 0.00 C ATOM 1707 C GLY A 114 -31.608 -14.543 3.768 1.00 0.00 C ATOM 1708 O GLY A 114 -31.663 -13.362 3.425 1.00 0.00 O ATOM 0 H GLY A 114 -30.171 -15.001 1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -32.426 -15.462 2.017 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -31.848 -16.597 3.221 1.00 0.00 H new TER 1712 GLY A 114