USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 832 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 130:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 9 SER OG : rot -50:sc= -1.18 USER MOD Single : A 19 TYR OH : rot 180:sc= -1.77! USER MOD Single : A 22 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-0.44) USER MOD Single : A 24 ASN : amide:sc= -2.47! C(o=-2.5!,f=-5.9!) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HE2:sc=0.000219 X(o=0.00022,f=-0.2) USER MOD Single : A 29 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.15) USER MOD Single : A 32 THR OG1 : rot -161:sc= -1.36 USER MOD Single : A 33 LYS NZ :NH3+ 171:sc=-0.00541 (180deg=-0.136) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot -8:sc= -2.34! USER MOD Single : A 42 GLN : amide:sc= 0.225 K(o=0.23,f=-2.6!) USER MOD Single : A 43 LYS NZ :NH3+ -134:sc= -0.814 (180deg=-2.84!) USER MOD Single : A 44 SER OG : rot 180:sc= -1.21 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.0427 X(o=-0.043,f=0) USER MOD Single : A 65 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.0068) USER MOD Single : A 70 THR OG1 : rot 58:sc= -1.71! USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.812 USER MOD Single : A 79 THR OG1 : rot -159:sc= -2.9! USER MOD Single : A 87 GLN : amide:sc= -0.904 K(o=-0.9,f=-1.8) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -43:sc= 1.08 USER MOD Single : A 99 ASN : amide:sc= -2.34! K(o=-2.3!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.692 2.877 -20.452 1.00 0.00 N ATOM 2 CA GLY A 1 8.826 1.961 -19.660 1.00 0.00 C ATOM 3 C GLY A 1 8.769 2.339 -18.193 1.00 0.00 C ATOM 4 O GLY A 1 9.735 2.138 -17.457 1.00 0.00 O ATOM 0 H1 GLY A 1 9.697 2.576 -21.447 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.323 3.847 -20.386 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.662 2.849 -20.077 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.818 1.971 -20.074 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.199 0.941 -19.755 1.00 0.00 H new ATOM 8 N SER A 2 7.635 2.889 -17.769 1.00 0.00 N ATOM 9 CA SER A 2 7.455 3.297 -16.381 1.00 0.00 C ATOM 10 C SER A 2 6.010 3.094 -15.937 1.00 0.00 C ATOM 11 O SER A 2 5.120 2.894 -16.762 1.00 0.00 O ATOM 12 CB SER A 2 7.856 4.763 -16.202 1.00 0.00 C ATOM 13 OG SER A 2 9.213 4.969 -16.553 1.00 0.00 O ATOM 0 H SER A 2 6.827 3.062 -18.367 1.00 0.00 H new ATOM 0 HA SER A 2 8.098 2.674 -15.759 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.218 5.395 -16.819 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.696 5.063 -15.166 1.00 0.00 H new ATOM 0 HG SER A 2 9.443 5.914 -16.431 1.00 0.00 H new ATOM 19 N TYR A 3 5.786 3.151 -14.628 1.00 0.00 N ATOM 20 CA TYR A 3 4.449 2.974 -14.072 1.00 0.00 C ATOM 21 C TYR A 3 4.187 3.984 -12.959 1.00 0.00 C ATOM 22 O TYR A 3 4.864 3.978 -11.930 1.00 0.00 O ATOM 23 CB TYR A 3 4.282 1.549 -13.537 1.00 0.00 C ATOM 24 CG TYR A 3 2.909 1.273 -12.965 1.00 0.00 C ATOM 25 CD1 TYR A 3 1.794 1.197 -13.791 1.00 0.00 C ATOM 26 CD2 TYR A 3 2.729 1.083 -11.602 1.00 0.00 C ATOM 27 CE1 TYR A 3 0.538 0.943 -13.272 1.00 0.00 C ATOM 28 CE2 TYR A 3 1.478 0.827 -11.075 1.00 0.00 C ATOM 29 CZ TYR A 3 0.386 0.759 -11.914 1.00 0.00 C ATOM 30 OH TYR A 3 -0.863 0.504 -11.394 1.00 0.00 O ATOM 0 H TYR A 3 6.513 3.318 -13.932 1.00 0.00 H new ATOM 0 HA TYR A 3 3.724 3.142 -14.868 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.479 0.842 -14.343 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.031 1.370 -12.765 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.910 1.339 -14.855 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.582 1.136 -10.942 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.319 0.889 -13.927 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.356 0.681 -10.012 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.819 -0.280 -10.808 1.00 0.00 H new ATOM 40 N TRP A 4 3.201 4.851 -13.171 1.00 0.00 N ATOM 41 CA TRP A 4 2.853 5.868 -12.185 1.00 0.00 C ATOM 42 C TRP A 4 1.352 6.158 -12.205 1.00 0.00 C ATOM 43 O TRP A 4 0.880 6.951 -13.020 1.00 0.00 O ATOM 44 CB TRP A 4 3.637 7.155 -12.453 1.00 0.00 C ATOM 45 CG TRP A 4 3.464 8.192 -11.385 1.00 0.00 C ATOM 46 CD1 TRP A 4 2.490 9.146 -11.318 1.00 0.00 C ATOM 47 CD2 TRP A 4 4.292 8.381 -10.232 1.00 0.00 C ATOM 48 NE1 TRP A 4 2.660 9.915 -10.192 1.00 0.00 N ATOM 49 CE2 TRP A 4 3.761 9.466 -9.509 1.00 0.00 C ATOM 50 CE3 TRP A 4 5.431 7.738 -9.741 1.00 0.00 C ATOM 51 CZ2 TRP A 4 4.329 9.920 -8.323 1.00 0.00 C ATOM 52 CZ3 TRP A 4 5.995 8.191 -8.562 1.00 0.00 C ATOM 53 CH2 TRP A 4 5.443 9.272 -7.864 1.00 0.00 C ATOM 0 H TRP A 4 2.630 4.869 -14.016 1.00 0.00 H new ATOM 0 HA TRP A 4 3.117 5.487 -11.198 1.00 0.00 H new ATOM 0 HB2 TRP A 4 4.696 6.914 -12.546 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.320 7.572 -13.409 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.701 9.277 -12.044 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.064 10.693 -9.910 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.863 6.903 -10.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 3.906 10.754 -7.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.876 7.703 -8.173 1.00 0.00 H new ATOM 0 HH2 TRP A 4 5.906 9.601 -6.945 1.00 0.00 H new ATOM 64 N PRO A 5 0.577 5.509 -11.314 1.00 0.00 N ATOM 65 CA PRO A 5 -0.877 5.707 -11.236 1.00 0.00 C ATOM 66 C PRO A 5 -1.250 7.151 -10.917 1.00 0.00 C ATOM 67 O PRO A 5 -0.381 7.990 -10.681 1.00 0.00 O ATOM 68 CB PRO A 5 -1.312 4.781 -10.093 1.00 0.00 C ATOM 69 CG PRO A 5 -0.206 3.794 -9.952 1.00 0.00 C ATOM 70 CD PRO A 5 1.050 4.530 -10.320 1.00 0.00 C ATOM 0 HA PRO A 5 -1.363 5.487 -12.186 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.463 5.339 -9.169 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.255 4.286 -10.324 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.151 3.412 -8.933 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.362 2.936 -10.606 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.501 5.017 -9.456 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.803 3.861 -10.738 1.00 0.00 H new ATOM 78 N ALA A 6 -2.551 7.431 -10.911 1.00 0.00 N ATOM 79 CA ALA A 6 -3.042 8.772 -10.616 1.00 0.00 C ATOM 80 C ALA A 6 -3.081 9.021 -9.112 1.00 0.00 C ATOM 81 O ALA A 6 -2.508 8.257 -8.334 1.00 0.00 O ATOM 82 CB ALA A 6 -4.422 8.973 -11.225 1.00 0.00 C ATOM 0 H ALA A 6 -3.282 6.747 -11.107 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.354 9.493 -11.059 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.777 9.978 -10.997 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.365 8.844 -12.306 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.114 8.241 -10.808 1.00 0.00 H new ATOM 88 N ARG A 7 -3.760 10.090 -8.707 1.00 0.00 N ATOM 89 CA ARG A 7 -3.864 10.434 -7.293 1.00 0.00 C ATOM 90 C ARG A 7 -4.965 9.627 -6.608 1.00 0.00 C ATOM 91 O ARG A 7 -6.042 9.427 -7.170 1.00 0.00 O ATOM 92 CB ARG A 7 -4.135 11.932 -7.129 1.00 0.00 C ATOM 93 CG ARG A 7 -3.045 12.813 -7.717 1.00 0.00 C ATOM 94 CD ARG A 7 -3.334 14.287 -7.484 1.00 0.00 C ATOM 95 NE ARG A 7 -3.403 14.613 -6.062 1.00 0.00 N ATOM 96 CZ ARG A 7 -3.460 15.856 -5.593 1.00 0.00 C ATOM 97 NH1 ARG A 7 -3.455 16.885 -6.428 1.00 0.00 N ATOM 98 NH2 ARG A 7 -3.522 16.069 -4.285 1.00 0.00 N ATOM 0 H ARG A 7 -4.245 10.731 -9.335 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.914 10.188 -6.818 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.085 12.176 -7.605 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.243 12.160 -6.069 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.085 12.554 -7.269 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.959 12.623 -8.787 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.557 14.888 -7.956 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.277 14.552 -7.963 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.408 13.844 -5.391 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.407 16.725 -7.434 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.499 17.837 -6.064 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.526 15.279 -3.639 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.566 17.022 -3.925 1.00 0.00 H new ATOM 112 N HIS A 8 -4.680 9.165 -5.391 1.00 0.00 N ATOM 113 CA HIS A 8 -5.638 8.380 -4.616 1.00 0.00 C ATOM 114 C HIS A 8 -6.037 7.109 -5.359 1.00 0.00 C ATOM 115 O HIS A 8 -6.984 6.425 -4.970 1.00 0.00 O ATOM 116 CB HIS A 8 -6.882 9.216 -4.304 1.00 0.00 C ATOM 117 CG HIS A 8 -6.590 10.450 -3.510 1.00 0.00 C ATOM 118 ND1 HIS A 8 -6.781 10.532 -2.147 1.00 0.00 N ATOM 119 CD2 HIS A 8 -6.121 11.662 -3.894 1.00 0.00 C ATOM 120 CE1 HIS A 8 -6.443 11.738 -1.728 1.00 0.00 C ATOM 121 NE2 HIS A 8 -6.038 12.443 -2.769 1.00 0.00 N ATOM 0 H HIS A 8 -3.789 9.322 -4.920 1.00 0.00 H new ATOM 0 HA HIS A 8 -5.157 8.093 -3.681 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.362 9.501 -5.240 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.595 8.601 -3.755 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.861 11.958 -4.899 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -6.490 12.088 -0.707 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.716 13.410 -2.741 1.00 0.00 H new ATOM 130 N SER A 9 -5.309 6.794 -6.426 1.00 0.00 N ATOM 131 CA SER A 9 -5.592 5.601 -7.216 1.00 0.00 C ATOM 132 C SER A 9 -5.451 4.345 -6.366 1.00 0.00 C ATOM 133 O SER A 9 -4.738 4.342 -5.363 1.00 0.00 O ATOM 134 CB SER A 9 -4.652 5.523 -8.420 1.00 0.00 C ATOM 135 OG SER A 9 -4.833 6.634 -9.280 1.00 0.00 O ATOM 0 H SER A 9 -4.521 7.347 -6.763 1.00 0.00 H new ATOM 0 HA SER A 9 -6.620 5.667 -7.572 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.618 5.489 -8.077 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.836 4.600 -8.970 1.00 0.00 H new ATOM 0 HG SER A 9 -5.787 6.742 -9.479 1.00 0.00 H new ATOM 141 N GLY A 10 -6.133 3.281 -6.770 1.00 0.00 N ATOM 142 CA GLY A 10 -6.067 2.037 -6.026 1.00 0.00 C ATOM 143 C GLY A 10 -4.652 1.506 -5.903 1.00 0.00 C ATOM 144 O GLY A 10 -4.145 1.329 -4.797 1.00 0.00 O ATOM 0 H GLY A 10 -6.729 3.256 -7.597 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.481 2.191 -5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.690 1.290 -6.518 1.00 0.00 H new ATOM 148 N ALA A 11 -4.014 1.256 -7.041 1.00 0.00 N ATOM 149 CA ALA A 11 -2.653 0.732 -7.052 1.00 0.00 C ATOM 150 C ALA A 11 -1.688 1.641 -6.288 1.00 0.00 C ATOM 151 O ALA A 11 -0.712 1.167 -5.700 1.00 0.00 O ATOM 152 CB ALA A 11 -2.181 0.535 -8.485 1.00 0.00 C ATOM 0 H ALA A 11 -4.416 1.407 -7.966 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.662 -0.232 -6.543 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.164 0.143 -8.482 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.840 -0.170 -8.991 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.201 1.490 -9.009 1.00 0.00 H new ATOM 158 N ARG A 12 -1.966 2.942 -6.288 1.00 0.00 N ATOM 159 CA ARG A 12 -1.107 3.889 -5.593 1.00 0.00 C ATOM 160 C ARG A 12 -1.259 3.758 -4.090 1.00 0.00 C ATOM 161 O ARG A 12 -0.287 3.538 -3.366 1.00 0.00 O ATOM 162 CB ARG A 12 -1.454 5.322 -5.997 1.00 0.00 C ATOM 163 CG ARG A 12 -0.764 6.368 -5.143 1.00 0.00 C ATOM 164 CD ARG A 12 -1.150 7.783 -5.538 1.00 0.00 C ATOM 165 NE ARG A 12 -0.325 8.776 -4.852 1.00 0.00 N ATOM 166 CZ ARG A 12 -0.745 9.996 -4.528 1.00 0.00 C ATOM 167 NH1 ARG A 12 -1.978 10.377 -4.825 1.00 0.00 N ATOM 168 NH2 ARG A 12 0.073 10.834 -3.906 1.00 0.00 N ATOM 0 H ARG A 12 -2.771 3.359 -6.757 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.078 3.664 -5.873 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.179 5.475 -7.040 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.533 5.461 -5.928 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.018 6.204 -4.096 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.316 6.251 -5.231 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.043 7.903 -6.616 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.200 7.954 -5.300 1.00 0.00 H new ATOM 0 HE ARG A 12 0.631 8.518 -4.607 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.609 9.734 -5.304 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.297 11.313 -4.575 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.023 10.543 -3.676 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.248 11.770 -3.657 1.00 0.00 H new ATOM 182 N VAL A 13 -2.493 3.893 -3.634 1.00 0.00 N ATOM 183 CA VAL A 13 -2.784 3.825 -2.218 1.00 0.00 C ATOM 184 C VAL A 13 -2.297 2.523 -1.590 1.00 0.00 C ATOM 185 O VAL A 13 -1.849 2.514 -0.444 1.00 0.00 O ATOM 186 CB VAL A 13 -4.295 3.973 -1.949 1.00 0.00 C ATOM 187 CG1 VAL A 13 -4.601 3.787 -0.473 1.00 0.00 C ATOM 188 CG2 VAL A 13 -4.798 5.323 -2.429 1.00 0.00 C ATOM 0 H VAL A 13 -3.308 4.050 -4.227 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.247 4.655 -1.760 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.814 3.194 -2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.673 3.896 -0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.284 2.793 -0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.066 4.539 0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.866 5.405 -2.229 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.268 6.117 -1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.621 5.417 -3.500 1.00 0.00 H new ATOM 198 N ILE A 14 -2.379 1.426 -2.338 1.00 0.00 N ATOM 199 CA ILE A 14 -1.969 0.137 -1.800 1.00 0.00 C ATOM 200 C ILE A 14 -0.450 0.023 -1.620 1.00 0.00 C ATOM 201 O ILE A 14 0.020 -0.294 -0.533 1.00 0.00 O ATOM 202 CB ILE A 14 -2.490 -1.033 -2.665 1.00 0.00 C ATOM 203 CG1 ILE A 14 -1.878 -1.005 -4.068 1.00 0.00 C ATOM 204 CG2 ILE A 14 -4.007 -0.993 -2.753 1.00 0.00 C ATOM 205 CD1 ILE A 14 -2.380 -2.108 -4.976 1.00 0.00 C ATOM 0 H ILE A 14 -2.719 1.404 -3.299 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.422 0.071 -0.811 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.187 -1.963 -2.184 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.094 -0.041 -4.529 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.794 -1.082 -3.983 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.358 -1.823 -3.366 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.432 -1.075 -1.753 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.321 -0.052 -3.204 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.901 -2.022 -5.952 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.140 -3.077 -4.538 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.460 -2.020 -5.093 1.00 0.00 H new ATOM 217 N LEU A 15 0.321 0.279 -2.671 1.00 0.00 N ATOM 218 CA LEU A 15 1.771 0.163 -2.519 1.00 0.00 C ATOM 219 C LEU A 15 2.304 1.125 -1.458 1.00 0.00 C ATOM 220 O LEU A 15 3.257 0.809 -0.745 1.00 0.00 O ATOM 221 CB LEU A 15 2.475 0.404 -3.855 1.00 0.00 C ATOM 222 CG LEU A 15 2.011 -0.501 -4.997 1.00 0.00 C ATOM 223 CD1 LEU A 15 2.276 0.157 -6.340 1.00 0.00 C ATOM 224 CD2 LEU A 15 2.709 -1.850 -4.919 1.00 0.00 C ATOM 0 H LEU A 15 -0.009 0.555 -3.596 1.00 0.00 H new ATOM 0 HA LEU A 15 1.985 -0.853 -2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.322 1.443 -4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.547 0.267 -3.715 1.00 0.00 H new ATOM 0 HG LEU A 15 0.937 -0.659 -4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.939 -0.502 -7.141 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.735 1.102 -6.395 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.344 0.344 -6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.369 -2.484 -5.738 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.787 -1.707 -4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.472 -2.328 -3.968 1.00 0.00 H new ATOM 236 N LEU A 16 1.675 2.288 -1.338 1.00 0.00 N ATOM 237 CA LEU A 16 2.113 3.275 -0.373 1.00 0.00 C ATOM 238 C LEU A 16 1.751 2.847 1.044 1.00 0.00 C ATOM 239 O LEU A 16 2.561 2.932 1.973 1.00 0.00 O ATOM 240 CB LEU A 16 1.449 4.605 -0.695 1.00 0.00 C ATOM 241 CG LEU A 16 1.711 5.705 0.315 1.00 0.00 C ATOM 242 CD1 LEU A 16 3.178 6.094 0.306 1.00 0.00 C ATOM 243 CD2 LEU A 16 0.826 6.901 0.026 1.00 0.00 C ATOM 0 H LEU A 16 0.866 2.565 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 16 3.197 3.373 -0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.793 4.940 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.373 4.449 -0.771 1.00 0.00 H new ATOM 0 HG LEU A 16 1.469 5.336 1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.349 6.885 1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.786 5.226 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.454 6.451 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.023 7.685 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.038 7.277 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.221 6.602 0.087 1.00 0.00 H new ATOM 255 N VAL A 17 0.521 2.391 1.198 1.00 0.00 N ATOM 256 CA VAL A 17 0.033 1.952 2.490 1.00 0.00 C ATOM 257 C VAL A 17 0.818 0.735 2.982 1.00 0.00 C ATOM 258 O VAL A 17 1.140 0.635 4.166 1.00 0.00 O ATOM 259 CB VAL A 17 -1.474 1.661 2.416 1.00 0.00 C ATOM 260 CG1 VAL A 17 -1.758 0.342 1.735 1.00 0.00 C ATOM 261 CG2 VAL A 17 -2.106 1.700 3.790 1.00 0.00 C ATOM 0 H VAL A 17 -0.159 2.315 0.441 1.00 0.00 H new ATOM 0 HA VAL A 17 0.186 2.752 3.215 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.923 2.448 1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.834 0.173 1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.364 0.365 0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.281 -0.465 2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.172 1.490 3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.638 0.950 4.427 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.964 2.688 4.228 1.00 0.00 H new ATOM 271 N LEU A 18 1.122 -0.190 2.070 1.00 0.00 N ATOM 272 CA LEU A 18 1.915 -1.357 2.434 1.00 0.00 C ATOM 273 C LEU A 18 3.327 -0.920 2.775 1.00 0.00 C ATOM 274 O LEU A 18 4.021 -1.562 3.563 1.00 0.00 O ATOM 275 CB LEU A 18 1.965 -2.357 1.276 1.00 0.00 C ATOM 276 CG LEU A 18 0.807 -3.343 1.198 1.00 0.00 C ATOM 277 CD1 LEU A 18 0.896 -4.360 2.322 1.00 0.00 C ATOM 278 CD2 LEU A 18 -0.529 -2.629 1.239 1.00 0.00 C ATOM 0 H LEU A 18 0.836 -0.153 1.092 1.00 0.00 H new ATOM 0 HA LEU A 18 1.452 -1.838 3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.005 -1.799 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.894 -2.922 1.350 1.00 0.00 H new ATOM 0 HG LEU A 18 0.880 -3.866 0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.060 -5.056 2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.834 -4.910 2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.858 -3.845 3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.335 -3.361 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.614 -2.069 2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.601 -1.943 0.395 1.00 0.00 H new ATOM 290 N TYR A 19 3.737 0.183 2.163 1.00 0.00 N ATOM 291 CA TYR A 19 5.080 0.714 2.374 1.00 0.00 C ATOM 292 C TYR A 19 5.382 0.929 3.850 1.00 0.00 C ATOM 293 O TYR A 19 6.284 0.299 4.392 1.00 0.00 O ATOM 294 CB TYR A 19 5.262 2.027 1.609 1.00 0.00 C ATOM 295 CG TYR A 19 6.626 2.656 1.785 1.00 0.00 C ATOM 296 CD1 TYR A 19 7.708 2.251 1.013 1.00 0.00 C ATOM 297 CD2 TYR A 19 6.831 3.658 2.726 1.00 0.00 C ATOM 298 CE1 TYR A 19 8.954 2.828 1.173 1.00 0.00 C ATOM 299 CE2 TYR A 19 8.073 4.239 2.892 1.00 0.00 C ATOM 300 CZ TYR A 19 9.131 3.821 2.114 1.00 0.00 C ATOM 301 OH TYR A 19 10.369 4.396 2.280 1.00 0.00 O ATOM 0 H TYR A 19 3.163 0.727 1.519 1.00 0.00 H new ATOM 0 HA TYR A 19 5.783 -0.027 1.994 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.091 1.844 0.548 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.501 2.735 1.937 1.00 0.00 H new ATOM 0 HD1 TYR A 19 7.573 1.473 0.276 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.005 3.988 3.338 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.785 2.503 0.564 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.214 5.017 3.628 1.00 0.00 H new ATOM 0 HH TYR A 19 10.321 5.078 2.982 1.00 0.00 H new ATOM 311 N ARG A 20 4.609 1.782 4.513 1.00 0.00 N ATOM 312 CA ARG A 20 4.862 2.051 5.927 1.00 0.00 C ATOM 313 C ARG A 20 4.835 0.766 6.757 1.00 0.00 C ATOM 314 O ARG A 20 5.749 0.509 7.542 1.00 0.00 O ATOM 315 CB ARG A 20 3.858 3.071 6.469 1.00 0.00 C ATOM 316 CG ARG A 20 2.407 2.669 6.290 1.00 0.00 C ATOM 317 CD ARG A 20 1.837 2.060 7.561 1.00 0.00 C ATOM 318 NE ARG A 20 1.774 3.028 8.652 1.00 0.00 N ATOM 319 CZ ARG A 20 1.348 2.732 9.877 1.00 0.00 C ATOM 320 NH1 ARG A 20 0.950 1.500 10.165 1.00 0.00 N ATOM 321 NH2 ARG A 20 1.320 3.669 10.815 1.00 0.00 N ATOM 0 H ARG A 20 3.821 2.288 4.109 1.00 0.00 H new ATOM 0 HA ARG A 20 5.863 2.474 6.011 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.052 3.227 7.530 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.023 4.027 5.971 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.819 3.542 6.008 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.325 1.952 5.473 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.837 1.674 7.361 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.452 1.212 7.864 1.00 0.00 H new ATOM 0 HE ARG A 20 2.073 3.985 8.465 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.970 0.776 9.446 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.624 1.276 11.105 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.625 4.618 10.597 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.993 3.441 11.754 1.00 0.00 H new ATOM 335 N GLU A 21 3.787 -0.031 6.584 1.00 0.00 N ATOM 336 CA GLU A 21 3.711 -1.272 7.347 1.00 0.00 C ATOM 337 C GLU A 21 4.910 -2.169 7.055 1.00 0.00 C ATOM 338 O GLU A 21 5.323 -2.960 7.898 1.00 0.00 O ATOM 339 CB GLU A 21 2.416 -2.023 7.049 1.00 0.00 C ATOM 340 CG GLU A 21 2.236 -3.256 7.916 1.00 0.00 C ATOM 341 CD GLU A 21 2.215 -2.932 9.397 1.00 0.00 C ATOM 342 OE1 GLU A 21 1.132 -2.581 9.912 1.00 0.00 O ATOM 343 OE2 GLU A 21 3.280 -3.027 10.042 1.00 0.00 O ATOM 0 H GLU A 21 3.008 0.147 5.950 1.00 0.00 H new ATOM 0 HA GLU A 21 3.723 -1.006 8.404 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.570 -1.352 7.200 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.406 -2.318 6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.305 -3.754 7.644 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.044 -3.959 7.713 1.00 0.00 H new ATOM 350 N HIS A 22 5.460 -2.047 5.853 1.00 0.00 N ATOM 351 CA HIS A 22 6.618 -2.855 5.487 1.00 0.00 C ATOM 352 C HIS A 22 7.864 -2.363 6.214 1.00 0.00 C ATOM 353 O HIS A 22 8.680 -3.160 6.678 1.00 0.00 O ATOM 354 CB HIS A 22 6.834 -2.814 3.975 1.00 0.00 C ATOM 355 CG HIS A 22 8.089 -3.496 3.517 1.00 0.00 C ATOM 356 ND1 HIS A 22 8.090 -4.710 2.862 1.00 0.00 N ATOM 357 CD2 HIS A 22 9.388 -3.120 3.607 1.00 0.00 C ATOM 358 CE1 HIS A 22 9.333 -5.050 2.570 1.00 0.00 C ATOM 359 NE2 HIS A 22 10.138 -4.102 3.011 1.00 0.00 N ATOM 0 H HIS A 22 5.132 -1.410 5.127 1.00 0.00 H new ATOM 0 HA HIS A 22 6.430 -3.886 5.786 1.00 0.00 H new ATOM 0 HB2 HIS A 22 5.980 -3.280 3.484 1.00 0.00 H new ATOM 0 HB3 HIS A 22 6.859 -1.774 3.650 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.763 -2.216 4.063 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.638 -5.950 2.058 1.00 0.00 H new ATOM 0 HE2 HIS A 22 11.154 -4.100 2.923 1.00 0.00 H new ATOM 368 N LEU A 23 8.002 -1.046 6.313 1.00 0.00 N ATOM 369 CA LEU A 23 9.149 -0.450 6.987 1.00 0.00 C ATOM 370 C LEU A 23 9.114 -0.725 8.484 1.00 0.00 C ATOM 371 O LEU A 23 10.054 -0.391 9.204 1.00 0.00 O ATOM 372 CB LEU A 23 9.192 1.058 6.741 1.00 0.00 C ATOM 373 CG LEU A 23 9.798 1.473 5.402 1.00 0.00 C ATOM 374 CD1 LEU A 23 8.877 1.109 4.249 1.00 0.00 C ATOM 375 CD2 LEU A 23 10.105 2.963 5.396 1.00 0.00 C ATOM 0 H LEU A 23 7.336 -0.372 5.936 1.00 0.00 H new ATOM 0 HA LEU A 23 10.048 -0.907 6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.177 1.451 6.801 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.763 1.526 7.543 1.00 0.00 H new ATOM 0 HG LEU A 23 10.732 0.927 5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.333 1.416 3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.715 0.031 4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.921 1.619 4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.536 3.242 4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.185 3.525 5.558 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.814 3.192 6.192 1.00 0.00 H new ATOM 387 N ASN A 24 8.029 -1.337 8.942 1.00 0.00 N ATOM 388 CA ASN A 24 7.871 -1.651 10.357 1.00 0.00 C ATOM 389 C ASN A 24 8.975 -2.572 10.868 1.00 0.00 C ATOM 390 O ASN A 24 9.011 -3.756 10.530 1.00 0.00 O ATOM 391 CB ASN A 24 6.515 -2.301 10.613 1.00 0.00 C ATOM 392 CG ASN A 24 5.460 -1.285 10.985 1.00 0.00 C ATOM 393 OD1 ASN A 24 4.801 -0.709 10.124 1.00 0.00 O ATOM 394 ND2 ASN A 24 5.297 -1.059 12.282 1.00 0.00 N ATOM 0 H ASN A 24 7.246 -1.626 8.355 1.00 0.00 H new ATOM 0 HA ASN A 24 7.937 -0.708 10.899 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.198 -2.842 9.721 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.610 -3.034 11.414 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.601 -0.383 12.598 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.867 -1.561 12.963 1.00 0.00 H new ATOM 401 N PRO A 25 9.896 -2.038 11.690 1.00 0.00 N ATOM 402 CA PRO A 25 10.986 -2.826 12.270 1.00 0.00 C ATOM 403 C PRO A 25 10.461 -3.865 13.246 1.00 0.00 C ATOM 404 O PRO A 25 11.009 -4.962 13.365 1.00 0.00 O ATOM 405 CB PRO A 25 11.833 -1.796 13.026 1.00 0.00 C ATOM 406 CG PRO A 25 11.392 -0.465 12.520 1.00 0.00 C ATOM 407 CD PRO A 25 9.958 -0.631 12.107 1.00 0.00 C ATOM 0 HA PRO A 25 11.541 -3.370 11.506 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.680 -1.877 14.102 1.00 0.00 H new ATOM 0 HB3 PRO A 25 12.896 -1.952 12.843 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.489 0.298 13.293 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.006 -0.145 11.678 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.274 -0.423 12.930 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.692 0.043 11.293 1.00 0.00 H new ATOM 415 N ASN A 26 9.388 -3.506 13.945 1.00 0.00 N ATOM 416 CA ASN A 26 8.788 -4.399 14.923 1.00 0.00 C ATOM 417 C ASN A 26 7.492 -4.999 14.400 1.00 0.00 C ATOM 418 O ASN A 26 7.070 -6.073 14.829 1.00 0.00 O ATOM 419 CB ASN A 26 8.522 -3.649 16.228 1.00 0.00 C ATOM 420 CG ASN A 26 9.793 -3.368 17.005 1.00 0.00 C ATOM 421 OD1 ASN A 26 10.429 -2.331 16.822 1.00 0.00 O ATOM 422 ND2 ASN A 26 10.169 -4.295 17.878 1.00 0.00 N ATOM 0 H ASN A 26 8.919 -2.605 13.851 1.00 0.00 H new ATOM 0 HA ASN A 26 9.490 -5.212 15.109 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.020 -2.707 16.006 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.843 -4.234 16.848 1.00 0.00 H new ATOM 0 HD21 ASN A 26 11.016 -4.162 18.430 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.610 -5.140 17.997 1.00 0.00 H new ATOM 429 N GLY A 27 6.870 -4.293 13.472 1.00 0.00 N ATOM 430 CA GLY A 27 5.622 -4.763 12.902 1.00 0.00 C ATOM 431 C GLY A 27 5.837 -5.772 11.793 1.00 0.00 C ATOM 432 O GLY A 27 6.969 -6.167 11.515 1.00 0.00 O ATOM 0 H GLY A 27 7.204 -3.403 13.102 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.014 -5.214 13.687 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.061 -3.913 12.513 1.00 0.00 H new ATOM 436 N HIS A 28 4.747 -6.191 11.162 1.00 0.00 N ATOM 437 CA HIS A 28 4.824 -7.160 10.076 1.00 0.00 C ATOM 438 C HIS A 28 5.063 -6.456 8.745 1.00 0.00 C ATOM 439 O HIS A 28 4.527 -5.375 8.500 1.00 0.00 O ATOM 440 CB HIS A 28 3.540 -7.986 10.009 1.00 0.00 C ATOM 441 CG HIS A 28 3.263 -8.763 11.257 1.00 0.00 C ATOM 442 ND1 HIS A 28 3.559 -10.104 11.392 1.00 0.00 N ATOM 443 CD2 HIS A 28 2.710 -8.382 12.434 1.00 0.00 C ATOM 444 CE1 HIS A 28 3.201 -10.513 12.597 1.00 0.00 C ATOM 445 NE2 HIS A 28 2.685 -9.487 13.249 1.00 0.00 N ATOM 0 H HIS A 28 3.802 -5.876 11.383 1.00 0.00 H new ATOM 0 HA HIS A 28 5.663 -7.828 10.272 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.700 -7.321 9.811 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.605 -8.676 9.168 1.00 0.00 H new ATOM 0 HD1 HIS A 28 3.987 -10.688 10.674 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.355 -7.393 12.685 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.312 -11.516 12.983 1.00 0.00 H new ATOM 454 N HIS A 29 5.868 -7.075 7.889 1.00 0.00 N ATOM 455 CA HIS A 29 6.177 -6.508 6.580 1.00 0.00 C ATOM 456 C HIS A 29 5.036 -6.760 5.600 1.00 0.00 C ATOM 457 O HIS A 29 5.257 -6.900 4.398 1.00 0.00 O ATOM 458 CB HIS A 29 7.471 -7.120 6.037 1.00 0.00 C ATOM 459 CG HIS A 29 8.639 -6.974 6.962 1.00 0.00 C ATOM 460 ND1 HIS A 29 8.911 -7.866 7.979 1.00 0.00 N ATOM 461 CD2 HIS A 29 9.613 -6.034 7.019 1.00 0.00 C ATOM 462 CE1 HIS A 29 9.998 -7.480 8.621 1.00 0.00 C ATOM 463 NE2 HIS A 29 10.443 -6.373 8.059 1.00 0.00 N ATOM 0 H HIS A 29 6.319 -7.970 8.077 1.00 0.00 H new ATOM 0 HA HIS A 29 6.306 -5.432 6.693 1.00 0.00 H new ATOM 0 HB2 HIS A 29 7.306 -8.179 5.838 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.713 -6.650 5.084 1.00 0.00 H new ATOM 0 HD2 HIS A 29 9.717 -5.178 6.368 1.00 0.00 H new ATOM 0 HE1 HIS A 29 10.447 -7.985 9.464 1.00 0.00 H new ATOM 0 HE2 HIS A 29 11.270 -5.852 8.350 1.00 0.00 H new ATOM 472 N PHE A 30 3.813 -6.798 6.119 1.00 0.00 N ATOM 473 CA PHE A 30 2.636 -7.049 5.287 1.00 0.00 C ATOM 474 C PHE A 30 1.352 -6.598 5.975 1.00 0.00 C ATOM 475 O PHE A 30 1.376 -6.063 7.083 1.00 0.00 O ATOM 476 CB PHE A 30 2.527 -8.540 4.947 1.00 0.00 C ATOM 477 CG PHE A 30 2.538 -9.437 6.152 1.00 0.00 C ATOM 478 CD1 PHE A 30 1.368 -9.698 6.849 1.00 0.00 C ATOM 479 CD2 PHE A 30 3.717 -10.022 6.588 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.374 -10.525 7.955 1.00 0.00 C ATOM 481 CE2 PHE A 30 3.728 -10.849 7.694 1.00 0.00 C ATOM 482 CZ PHE A 30 2.555 -11.100 8.379 1.00 0.00 C ATOM 0 H PHE A 30 3.609 -6.659 7.109 1.00 0.00 H new ATOM 0 HA PHE A 30 2.761 -6.470 4.372 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.607 -8.710 4.387 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.354 -8.816 4.292 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.441 -9.249 6.523 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.637 -9.829 6.057 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.455 -10.722 8.488 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.653 -11.299 8.023 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.562 -11.745 9.245 1.00 0.00 H new ATOM 492 N LEU A 31 0.227 -6.829 5.299 1.00 0.00 N ATOM 493 CA LEU A 31 -1.077 -6.462 5.832 1.00 0.00 C ATOM 494 C LEU A 31 -2.166 -7.383 5.292 1.00 0.00 C ATOM 495 O LEU A 31 -2.052 -7.914 4.187 1.00 0.00 O ATOM 496 CB LEU A 31 -1.415 -5.021 5.458 1.00 0.00 C ATOM 497 CG LEU A 31 -0.754 -3.945 6.315 1.00 0.00 C ATOM 498 CD1 LEU A 31 -1.067 -2.562 5.767 1.00 0.00 C ATOM 499 CD2 LEU A 31 -1.206 -4.061 7.763 1.00 0.00 C ATOM 0 H LEU A 31 0.197 -7.270 4.380 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.032 -6.561 6.917 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.130 -4.858 4.419 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.496 -4.893 5.516 1.00 0.00 H new ATOM 0 HG LEU A 31 0.325 -4.093 6.281 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.588 -1.807 6.390 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.692 -2.482 4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.146 -2.405 5.771 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.724 -3.285 8.358 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.288 -3.940 7.817 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.931 -5.041 8.153 1.00 0.00 H new ATOM 511 N THR A 32 -3.218 -7.570 6.081 1.00 0.00 N ATOM 512 CA THR A 32 -4.339 -8.404 5.671 1.00 0.00 C ATOM 513 C THR A 32 -5.388 -7.549 4.971 1.00 0.00 C ATOM 514 O THR A 32 -5.433 -6.337 5.170 1.00 0.00 O ATOM 515 CB THR A 32 -4.979 -9.127 6.870 1.00 0.00 C ATOM 516 OG1 THR A 32 -5.469 -8.169 7.815 1.00 0.00 O ATOM 517 CG2 THR A 32 -3.973 -10.045 7.548 1.00 0.00 C ATOM 0 H THR A 32 -3.317 -7.155 7.008 1.00 0.00 H new ATOM 0 HA THR A 32 -3.958 -9.161 4.986 1.00 0.00 H new ATOM 0 HB THR A 32 -5.808 -9.731 6.501 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.594 -8.602 8.685 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.448 -10.545 8.392 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.623 -10.791 6.835 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.126 -9.458 7.904 1.00 0.00 H new ATOM 525 N LYS A 33 -6.238 -8.177 4.166 1.00 0.00 N ATOM 526 CA LYS A 33 -7.261 -7.436 3.432 1.00 0.00 C ATOM 527 C LYS A 33 -8.095 -6.562 4.369 1.00 0.00 C ATOM 528 O LYS A 33 -8.564 -5.495 3.976 1.00 0.00 O ATOM 529 CB LYS A 33 -8.176 -8.393 2.664 1.00 0.00 C ATOM 530 CG LYS A 33 -8.512 -7.919 1.254 1.00 0.00 C ATOM 531 CD LYS A 33 -9.198 -6.559 1.260 1.00 0.00 C ATOM 532 CE LYS A 33 -9.453 -6.054 -0.153 1.00 0.00 C ATOM 533 NZ LYS A 33 -10.348 -6.965 -0.916 1.00 0.00 N ATOM 0 H LYS A 33 -6.241 -9.184 4.005 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.748 -6.787 2.722 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.697 -9.371 2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.102 -8.525 3.224 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.598 -7.862 0.663 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.160 -8.650 0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.143 -6.630 1.798 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.579 -5.841 1.797 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.899 -5.061 -0.108 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.504 -5.953 -0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.619 -6.514 -1.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.850 -7.856 -1.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.202 -7.162 -0.356 1.00 0.00 H new ATOM 547 N GLU A 34 -8.270 -7.010 5.605 1.00 0.00 N ATOM 548 CA GLU A 34 -9.053 -6.254 6.576 1.00 0.00 C ATOM 549 C GLU A 34 -8.246 -5.101 7.170 1.00 0.00 C ATOM 550 O GLU A 34 -8.784 -4.019 7.409 1.00 0.00 O ATOM 551 CB GLU A 34 -9.548 -7.177 7.691 1.00 0.00 C ATOM 552 CG GLU A 34 -8.430 -7.881 8.442 1.00 0.00 C ATOM 553 CD GLU A 34 -8.947 -8.789 9.541 1.00 0.00 C ATOM 554 OE1 GLU A 34 -9.109 -8.308 10.682 1.00 0.00 O ATOM 555 OE2 GLU A 34 -9.193 -9.981 9.260 1.00 0.00 O ATOM 0 H GLU A 34 -7.884 -7.886 5.958 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.910 -5.830 6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.138 -6.594 8.398 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.214 -7.926 7.262 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.839 -8.468 7.739 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.763 -7.136 8.875 1.00 0.00 H new ATOM 562 N GLU A 35 -6.957 -5.332 7.405 1.00 0.00 N ATOM 563 CA GLU A 35 -6.116 -4.286 7.978 1.00 0.00 C ATOM 564 C GLU A 35 -5.822 -3.209 6.944 1.00 0.00 C ATOM 565 O GLU A 35 -5.588 -2.050 7.284 1.00 0.00 O ATOM 566 CB GLU A 35 -4.807 -4.877 8.506 1.00 0.00 C ATOM 567 CG GLU A 35 -4.998 -5.824 9.679 1.00 0.00 C ATOM 568 CD GLU A 35 -3.693 -6.427 10.161 1.00 0.00 C ATOM 569 OE1 GLU A 35 -3.306 -7.496 9.641 1.00 0.00 O ATOM 570 OE2 GLU A 35 -3.058 -5.832 11.057 1.00 0.00 O ATOM 0 H GLU A 35 -6.481 -6.213 7.213 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.656 -3.834 8.810 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.306 -5.409 7.698 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.147 -4.064 8.809 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.471 -5.287 10.501 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.678 -6.625 9.388 1.00 0.00 H new ATOM 577 N LEU A 36 -5.839 -3.609 5.680 1.00 0.00 N ATOM 578 CA LEU A 36 -5.563 -2.700 4.575 1.00 0.00 C ATOM 579 C LEU A 36 -6.576 -1.567 4.500 1.00 0.00 C ATOM 580 O LEU A 36 -6.210 -0.392 4.466 1.00 0.00 O ATOM 581 CB LEU A 36 -5.583 -3.482 3.269 1.00 0.00 C ATOM 582 CG LEU A 36 -4.430 -4.464 3.090 1.00 0.00 C ATOM 583 CD1 LEU A 36 -4.671 -5.378 1.897 1.00 0.00 C ATOM 584 CD2 LEU A 36 -3.119 -3.714 2.933 1.00 0.00 C ATOM 0 H LEU A 36 -6.043 -4.566 5.392 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.582 -2.256 4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.522 -4.032 3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.571 -2.775 2.439 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.371 -5.087 3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.834 -6.068 1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.590 -5.943 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.762 -4.778 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.305 -4.427 2.806 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.173 -3.066 2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.937 -3.110 3.822 1.00 0.00 H new ATOM 596 N LEU A 37 -7.848 -1.932 4.467 1.00 0.00 N ATOM 597 CA LEU A 37 -8.934 -0.958 4.396 1.00 0.00 C ATOM 598 C LEU A 37 -8.764 0.145 5.437 1.00 0.00 C ATOM 599 O LEU A 37 -8.803 1.331 5.108 1.00 0.00 O ATOM 600 CB LEU A 37 -10.285 -1.655 4.588 1.00 0.00 C ATOM 601 CG LEU A 37 -10.952 -2.161 3.303 1.00 0.00 C ATOM 602 CD1 LEU A 37 -11.254 -1.004 2.364 1.00 0.00 C ATOM 603 CD2 LEU A 37 -10.076 -3.195 2.613 1.00 0.00 C ATOM 0 H LEU A 37 -8.159 -2.903 4.488 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.903 -0.498 3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.146 -2.500 5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.966 -0.962 5.082 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.894 -2.638 3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.727 -1.384 1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.926 -0.301 2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.326 -0.496 2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.568 -3.540 1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.116 -2.746 2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.915 -4.040 3.282 1.00 0.00 H new ATOM 615 N GLN A 38 -8.575 -0.249 6.694 1.00 0.00 N ATOM 616 CA GLN A 38 -8.399 0.722 7.769 1.00 0.00 C ATOM 617 C GLN A 38 -7.089 1.481 7.594 1.00 0.00 C ATOM 618 O GLN A 38 -6.997 2.669 7.901 1.00 0.00 O ATOM 619 CB GLN A 38 -8.418 0.020 9.128 1.00 0.00 C ATOM 620 CG GLN A 38 -9.711 -0.729 9.407 1.00 0.00 C ATOM 621 CD GLN A 38 -9.701 -1.426 10.755 1.00 0.00 C ATOM 622 OE1 GLN A 38 -9.293 -2.581 10.866 1.00 0.00 O ATOM 623 NE2 GLN A 38 -10.151 -0.722 11.788 1.00 0.00 N ATOM 0 H GLN A 38 -8.540 -1.224 6.991 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.224 1.433 7.727 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.584 -0.680 9.178 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.260 0.760 9.912 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.547 -0.030 9.369 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.876 -1.467 8.622 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.480 0.234 11.649 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -10.167 -1.137 12.720 1.00 0.00 H new ATOM 632 N ARG A 39 -6.078 0.777 7.103 1.00 0.00 N ATOM 633 CA ARG A 39 -4.772 1.376 6.876 1.00 0.00 C ATOM 634 C ARG A 39 -4.871 2.567 5.926 1.00 0.00 C ATOM 635 O ARG A 39 -4.376 3.655 6.215 1.00 0.00 O ATOM 636 CB ARG A 39 -3.831 0.325 6.304 1.00 0.00 C ATOM 637 CG ARG A 39 -2.393 0.523 6.718 1.00 0.00 C ATOM 638 CD ARG A 39 -2.150 0.053 8.143 1.00 0.00 C ATOM 639 NE ARG A 39 -2.819 0.900 9.128 1.00 0.00 N ATOM 640 CZ ARG A 39 -2.954 0.575 10.410 1.00 0.00 C ATOM 641 NH1 ARG A 39 -2.469 -0.574 10.862 1.00 0.00 N ATOM 642 NH2 ARG A 39 -3.574 1.400 11.242 1.00 0.00 N ATOM 0 H ARG A 39 -6.138 -0.210 6.854 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.383 1.740 7.827 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.162 -0.663 6.626 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.895 0.344 5.216 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.740 -0.023 6.038 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.131 1.578 6.633 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.503 -0.973 8.250 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.078 0.044 8.343 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.204 1.791 8.814 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.991 -1.211 10.225 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.574 -0.820 11.846 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.948 2.285 10.899 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.677 1.150 12.225 1.00 0.00 H new ATOM 656 N CYS A 40 -5.514 2.337 4.789 1.00 0.00 N ATOM 657 CA CYS A 40 -5.708 3.380 3.781 1.00 0.00 C ATOM 658 C CYS A 40 -6.372 4.610 4.390 1.00 0.00 C ATOM 659 O CYS A 40 -6.144 5.734 3.944 1.00 0.00 O ATOM 660 CB CYS A 40 -6.557 2.856 2.621 1.00 0.00 C ATOM 661 SG CYS A 40 -7.221 4.153 1.549 1.00 0.00 S ATOM 0 H CYS A 40 -5.914 1.433 4.537 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.726 3.664 3.403 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -5.953 2.177 2.020 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.385 2.274 3.025 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.986 5.317 2.079 1.00 0.00 H new ATOM 667 N ALA A 41 -7.205 4.388 5.404 1.00 0.00 N ATOM 668 CA ALA A 41 -7.906 5.481 6.075 1.00 0.00 C ATOM 669 C ALA A 41 -6.930 6.487 6.688 1.00 0.00 C ATOM 670 O ALA A 41 -7.347 7.481 7.282 1.00 0.00 O ATOM 671 CB ALA A 41 -8.838 4.933 7.145 1.00 0.00 C ATOM 0 H ALA A 41 -7.411 3.462 5.779 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.495 6.006 5.323 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.353 5.758 7.636 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.571 4.270 6.685 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.259 4.377 7.882 1.00 0.00 H new ATOM 677 N GLN A 42 -5.632 6.227 6.541 1.00 0.00 N ATOM 678 CA GLN A 42 -4.644 7.149 7.087 1.00 0.00 C ATOM 679 C GLN A 42 -4.127 8.051 5.973 1.00 0.00 C ATOM 680 O GLN A 42 -3.683 9.174 6.213 1.00 0.00 O ATOM 681 CB GLN A 42 -3.483 6.382 7.725 1.00 0.00 C ATOM 682 CG GLN A 42 -3.904 5.489 8.881 1.00 0.00 C ATOM 683 CD GLN A 42 -2.731 4.769 9.517 1.00 0.00 C ATOM 684 OE1 GLN A 42 -2.372 3.664 9.112 1.00 0.00 O ATOM 685 NE2 GLN A 42 -2.127 5.395 10.521 1.00 0.00 N ATOM 0 H GLN A 42 -5.250 5.411 6.063 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.115 7.757 7.860 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.000 5.771 6.962 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.739 7.095 8.080 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.409 6.092 9.636 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.626 4.755 8.524 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.458 6.311 10.824 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.332 4.960 10.989 1.00 0.00 H new ATOM 694 N LYS A 43 -4.195 7.531 4.748 1.00 0.00 N ATOM 695 CA LYS A 43 -3.757 8.256 3.561 1.00 0.00 C ATOM 696 C LYS A 43 -4.403 9.635 3.500 1.00 0.00 C ATOM 697 O LYS A 43 -3.740 10.635 3.220 1.00 0.00 O ATOM 698 CB LYS A 43 -4.129 7.461 2.313 1.00 0.00 C ATOM 699 CG LYS A 43 -3.548 8.033 1.037 1.00 0.00 C ATOM 700 CD LYS A 43 -2.959 6.935 0.177 1.00 0.00 C ATOM 701 CE LYS A 43 -2.282 7.489 -1.064 1.00 0.00 C ATOM 702 NZ LYS A 43 -3.219 8.287 -1.902 1.00 0.00 N ATOM 0 H LYS A 43 -4.555 6.597 4.553 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.676 8.383 3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.785 6.433 2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.215 7.426 2.225 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.325 8.559 0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.777 8.765 1.279 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.236 6.365 0.761 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.747 6.243 -0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.439 8.113 -0.769 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.878 6.666 -1.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.114 8.011 -2.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.197 8.109 -1.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.002 9.299 -1.798 1.00 0.00 H new ATOM 716 N SER A 44 -5.704 9.674 3.765 1.00 0.00 N ATOM 717 CA SER A 44 -6.461 10.918 3.740 1.00 0.00 C ATOM 718 C SER A 44 -7.702 10.805 4.627 1.00 0.00 C ATOM 719 O SER A 44 -8.251 9.715 4.790 1.00 0.00 O ATOM 720 CB SER A 44 -6.865 11.251 2.302 1.00 0.00 C ATOM 721 OG SER A 44 -7.677 12.412 2.249 1.00 0.00 O ATOM 0 H SER A 44 -6.259 8.851 4.001 1.00 0.00 H new ATOM 0 HA SER A 44 -5.833 11.721 4.127 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.971 11.402 1.697 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.404 10.408 1.869 1.00 0.00 H new ATOM 0 HG SER A 44 -7.918 12.601 1.318 1.00 0.00 H new ATOM 727 N PRO A 45 -8.157 11.929 5.218 1.00 0.00 N ATOM 728 CA PRO A 45 -9.334 11.947 6.091 1.00 0.00 C ATOM 729 C PRO A 45 -10.498 11.143 5.520 1.00 0.00 C ATOM 730 O PRO A 45 -10.944 10.166 6.124 1.00 0.00 O ATOM 731 CB PRO A 45 -9.704 13.438 6.185 1.00 0.00 C ATOM 732 CG PRO A 45 -8.770 14.156 5.262 1.00 0.00 C ATOM 733 CD PRO A 45 -7.574 13.267 5.090 1.00 0.00 C ATOM 0 HA PRO A 45 -9.121 11.490 7.058 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -10.742 13.601 5.894 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.599 13.802 7.207 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.248 14.353 4.302 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.480 15.121 5.677 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.096 13.411 4.121 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.816 13.454 5.850 1.00 0.00 H new ATOM 741 N ARG A 46 -10.989 11.557 4.356 1.00 0.00 N ATOM 742 CA ARG A 46 -12.102 10.863 3.716 1.00 0.00 C ATOM 743 C ARG A 46 -11.787 10.561 2.254 1.00 0.00 C ATOM 744 O ARG A 46 -11.463 11.462 1.480 1.00 0.00 O ATOM 745 CB ARG A 46 -13.377 11.702 3.812 1.00 0.00 C ATOM 746 CG ARG A 46 -13.806 11.996 5.240 1.00 0.00 C ATOM 747 CD ARG A 46 -15.092 12.807 5.280 1.00 0.00 C ATOM 748 NE ARG A 46 -14.952 14.088 4.594 1.00 0.00 N ATOM 749 CZ ARG A 46 -15.937 14.975 4.481 1.00 0.00 C ATOM 750 NH1 ARG A 46 -17.128 14.720 5.008 1.00 0.00 N ATOM 751 NH2 ARG A 46 -15.731 16.118 3.841 1.00 0.00 N ATOM 0 H ARG A 46 -10.637 12.363 3.840 1.00 0.00 H new ATOM 0 HA ARG A 46 -12.257 9.919 4.238 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.222 12.644 3.287 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.185 11.180 3.299 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.949 11.059 5.778 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.014 12.542 5.754 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.896 12.234 4.818 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.379 12.981 6.317 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.049 14.316 4.178 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -17.290 13.842 5.501 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -17.881 15.402 4.920 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.817 16.318 3.435 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.487 16.798 3.755 1.00 0.00 H new ATOM 765 N VAL A 47 -11.888 9.288 1.881 1.00 0.00 N ATOM 766 CA VAL A 47 -11.617 8.870 0.511 1.00 0.00 C ATOM 767 C VAL A 47 -12.749 8.015 -0.043 1.00 0.00 C ATOM 768 O VAL A 47 -12.621 7.427 -1.117 1.00 0.00 O ATOM 769 CB VAL A 47 -10.301 8.074 0.406 1.00 0.00 C ATOM 770 CG1 VAL A 47 -9.118 8.934 0.822 1.00 0.00 C ATOM 771 CG2 VAL A 47 -10.372 6.809 1.249 1.00 0.00 C ATOM 0 H VAL A 47 -12.155 8.530 2.509 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.530 9.784 -0.076 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.159 7.783 -0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.199 8.353 0.741 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.055 9.806 0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.250 9.261 1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.434 6.261 1.162 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.541 7.076 2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.192 6.183 0.897 1.00 0.00 H new ATOM 781 N ALA A 48 -13.861 7.949 0.687 1.00 0.00 N ATOM 782 CA ALA A 48 -14.994 7.153 0.229 1.00 0.00 C ATOM 783 C ALA A 48 -16.303 7.948 0.216 1.00 0.00 C ATOM 784 O ALA A 48 -17.324 7.471 0.717 1.00 0.00 O ATOM 785 CB ALA A 48 -15.140 5.911 1.095 1.00 0.00 C ATOM 0 H ALA A 48 -14.000 8.426 1.578 1.00 0.00 H new ATOM 0 HA ALA A 48 -14.789 6.861 -0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -15.988 5.322 0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.231 5.313 1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -15.305 6.207 2.131 1.00 0.00 H new ATOM 791 N PRO A 49 -16.305 9.167 -0.360 1.00 0.00 N ATOM 792 CA PRO A 49 -17.500 9.995 -0.449 1.00 0.00 C ATOM 793 C PRO A 49 -18.231 9.764 -1.765 1.00 0.00 C ATOM 794 O PRO A 49 -19.307 10.312 -2.005 1.00 0.00 O ATOM 795 CB PRO A 49 -16.915 11.401 -0.400 1.00 0.00 C ATOM 796 CG PRO A 49 -15.604 11.285 -1.109 1.00 0.00 C ATOM 797 CD PRO A 49 -15.147 9.850 -0.968 1.00 0.00 C ATOM 0 HA PRO A 49 -18.233 9.790 0.331 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -17.570 12.121 -0.891 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -16.782 11.740 0.627 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -15.709 11.554 -2.160 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -14.871 11.967 -0.677 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -14.889 9.416 -1.934 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -14.261 9.773 -0.337 1.00 0.00 H new ATOM 805 N GLY A 50 -17.622 8.940 -2.611 1.00 0.00 N ATOM 806 CA GLY A 50 -18.184 8.627 -3.909 1.00 0.00 C ATOM 807 C GLY A 50 -17.120 8.128 -4.865 1.00 0.00 C ATOM 808 O GLY A 50 -17.391 7.867 -6.036 1.00 0.00 O ATOM 0 H GLY A 50 -16.734 8.477 -2.414 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -18.960 7.870 -3.798 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -18.661 9.515 -4.324 1.00 0.00 H new ATOM 812 N SER A 51 -15.899 7.998 -4.349 1.00 0.00 N ATOM 813 CA SER A 51 -14.766 7.530 -5.140 1.00 0.00 C ATOM 814 C SER A 51 -14.683 6.007 -5.128 1.00 0.00 C ATOM 815 O SER A 51 -14.626 5.372 -6.180 1.00 0.00 O ATOM 816 CB SER A 51 -13.467 8.126 -4.592 1.00 0.00 C ATOM 817 OG SER A 51 -13.435 9.532 -4.771 1.00 0.00 O ATOM 0 H SER A 51 -15.670 8.213 -3.379 1.00 0.00 H new ATOM 0 HA SER A 51 -14.909 7.857 -6.170 1.00 0.00 H new ATOM 0 HB2 SER A 51 -13.373 7.889 -3.532 1.00 0.00 H new ATOM 0 HB3 SER A 51 -12.614 7.673 -5.097 1.00 0.00 H new ATOM 0 HG SER A 51 -12.596 9.889 -4.411 1.00 0.00 H new ATOM 823 N ALA A 52 -14.676 5.431 -3.929 1.00 0.00 N ATOM 824 CA ALA A 52 -14.596 3.983 -3.772 1.00 0.00 C ATOM 825 C ALA A 52 -13.347 3.426 -4.449 1.00 0.00 C ATOM 826 O ALA A 52 -13.412 2.929 -5.574 1.00 0.00 O ATOM 827 CB ALA A 52 -15.847 3.318 -4.328 1.00 0.00 C ATOM 0 H ALA A 52 -14.725 5.947 -3.050 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.528 3.761 -2.707 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.771 2.238 -4.203 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.723 3.685 -3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.945 3.555 -5.388 1.00 0.00 H new ATOM 833 N PRO A 53 -12.185 3.515 -3.775 1.00 0.00 N ATOM 834 CA PRO A 53 -10.916 3.014 -4.317 1.00 0.00 C ATOM 835 C PRO A 53 -10.936 1.501 -4.532 1.00 0.00 C ATOM 836 O PRO A 53 -11.045 0.737 -3.574 1.00 0.00 O ATOM 837 CB PRO A 53 -9.886 3.381 -3.239 1.00 0.00 C ATOM 838 CG PRO A 53 -10.545 4.424 -2.403 1.00 0.00 C ATOM 839 CD PRO A 53 -12.013 4.115 -2.442 1.00 0.00 C ATOM 0 HA PRO A 53 -10.699 3.444 -5.295 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.616 2.511 -2.641 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.966 3.759 -3.686 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.168 4.401 -1.381 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -10.345 5.422 -2.794 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.303 3.426 -1.648 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -12.619 5.013 -2.322 1.00 0.00 H new ATOM 847 N PRO A 54 -10.840 1.045 -5.796 1.00 0.00 N ATOM 848 CA PRO A 54 -10.841 -0.385 -6.123 1.00 0.00 C ATOM 849 C PRO A 54 -9.539 -1.068 -5.716 1.00 0.00 C ATOM 850 O PRO A 54 -8.460 -0.688 -6.175 1.00 0.00 O ATOM 851 CB PRO A 54 -11.004 -0.419 -7.651 1.00 0.00 C ATOM 852 CG PRO A 54 -11.328 0.982 -8.059 1.00 0.00 C ATOM 853 CD PRO A 54 -10.736 1.871 -7.006 1.00 0.00 C ATOM 0 HA PRO A 54 -11.630 -0.917 -5.591 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.090 -0.765 -8.134 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -11.799 -1.105 -7.944 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.910 1.208 -9.040 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.406 1.127 -8.130 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.702 2.133 -7.231 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.288 2.806 -6.908 1.00 0.00 H new ATOM 861 N TRP A 55 -9.644 -2.076 -4.855 1.00 0.00 N ATOM 862 CA TRP A 55 -8.470 -2.806 -4.394 1.00 0.00 C ATOM 863 C TRP A 55 -8.245 -4.128 -5.142 1.00 0.00 C ATOM 864 O TRP A 55 -7.143 -4.672 -5.084 1.00 0.00 O ATOM 865 CB TRP A 55 -8.545 -3.045 -2.884 1.00 0.00 C ATOM 866 CG TRP A 55 -8.052 -1.865 -2.107 1.00 0.00 C ATOM 867 CD1 TRP A 55 -8.528 -0.590 -2.185 1.00 0.00 C ATOM 868 CD2 TRP A 55 -6.982 -1.838 -1.154 1.00 0.00 C ATOM 869 NE1 TRP A 55 -7.813 0.233 -1.352 1.00 0.00 N ATOM 870 CE2 TRP A 55 -6.861 -0.508 -0.706 1.00 0.00 C ATOM 871 CE3 TRP A 55 -6.110 -2.802 -0.633 1.00 0.00 C ATOM 872 CZ2 TRP A 55 -5.908 -0.122 0.230 1.00 0.00 C ATOM 873 CZ3 TRP A 55 -5.173 -2.411 0.297 1.00 0.00 C ATOM 874 CH2 TRP A 55 -5.077 -1.083 0.719 1.00 0.00 C ATOM 0 H TRP A 55 -10.527 -2.404 -4.464 1.00 0.00 H new ATOM 0 HA TRP A 55 -7.608 -2.177 -4.617 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -9.575 -3.261 -2.601 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -7.953 -3.923 -2.626 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -9.349 -0.274 -2.812 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -7.966 1.234 -1.233 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.171 -3.831 -0.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.830 0.904 0.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.498 -3.147 0.709 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.328 -0.813 1.449 1.00 0.00 H new ATOM 885 N PRO A 56 -9.261 -4.690 -5.842 1.00 0.00 N ATOM 886 CA PRO A 56 -9.075 -5.934 -6.595 1.00 0.00 C ATOM 887 C PRO A 56 -7.867 -5.855 -7.525 1.00 0.00 C ATOM 888 O PRO A 56 -7.329 -6.877 -7.951 1.00 0.00 O ATOM 889 CB PRO A 56 -10.367 -6.062 -7.403 1.00 0.00 C ATOM 890 CG PRO A 56 -11.384 -5.331 -6.599 1.00 0.00 C ATOM 891 CD PRO A 56 -10.651 -4.196 -5.939 1.00 0.00 C ATOM 0 HA PRO A 56 -8.887 -6.787 -5.943 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.259 -5.627 -8.396 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.647 -7.106 -7.542 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.189 -4.960 -7.233 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.839 -5.986 -5.856 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -10.711 -3.282 -6.530 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.065 -3.968 -4.957 1.00 0.00 H new ATOM 899 N ALA A 57 -7.448 -4.628 -7.833 1.00 0.00 N ATOM 900 CA ALA A 57 -6.298 -4.400 -8.702 1.00 0.00 C ATOM 901 C ALA A 57 -5.020 -4.914 -8.051 1.00 0.00 C ATOM 902 O ALA A 57 -4.092 -5.344 -8.736 1.00 0.00 O ATOM 903 CB ALA A 57 -6.168 -2.919 -9.025 1.00 0.00 C ATOM 0 H ALA A 57 -7.891 -3.775 -7.491 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.454 -4.950 -9.630 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.306 -2.762 -9.674 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.070 -2.576 -9.531 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.034 -2.356 -8.102 1.00 0.00 H new ATOM 909 N LEU A 58 -4.983 -4.863 -6.722 1.00 0.00 N ATOM 910 CA LEU A 58 -3.824 -5.327 -5.967 1.00 0.00 C ATOM 911 C LEU A 58 -3.390 -6.712 -6.437 1.00 0.00 C ATOM 912 O LEU A 58 -2.199 -6.968 -6.623 1.00 0.00 O ATOM 913 CB LEU A 58 -4.150 -5.345 -4.471 1.00 0.00 C ATOM 914 CG LEU A 58 -3.097 -5.993 -3.566 1.00 0.00 C ATOM 915 CD1 LEU A 58 -1.707 -5.451 -3.865 1.00 0.00 C ATOM 916 CD2 LEU A 58 -3.452 -5.758 -2.107 1.00 0.00 C ATOM 0 H LEU A 58 -5.744 -4.504 -6.145 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.997 -4.639 -6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.304 -4.318 -4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.095 -5.870 -4.331 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.089 -7.065 -3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.981 -5.929 -3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.450 -5.661 -4.903 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.693 -4.374 -3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.699 -6.222 -1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.485 -4.687 -1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.427 -6.197 -1.894 1.00 0.00 H new ATOM 928 N ARG A 59 -4.357 -7.604 -6.620 1.00 0.00 N ATOM 929 CA ARG A 59 -4.046 -8.946 -7.092 1.00 0.00 C ATOM 930 C ARG A 59 -3.273 -8.863 -8.402 1.00 0.00 C ATOM 931 O ARG A 59 -2.273 -9.553 -8.595 1.00 0.00 O ATOM 932 CB ARG A 59 -5.329 -9.757 -7.288 1.00 0.00 C ATOM 933 CG ARG A 59 -6.139 -9.930 -6.013 1.00 0.00 C ATOM 934 CD ARG A 59 -7.409 -10.726 -6.266 1.00 0.00 C ATOM 935 NE ARG A 59 -7.126 -12.056 -6.798 1.00 0.00 N ATOM 936 CZ ARG A 59 -8.067 -12.943 -7.108 1.00 0.00 C ATOM 937 NH1 ARG A 59 -9.347 -12.643 -6.939 1.00 0.00 N ATOM 938 NH2 ARG A 59 -7.727 -14.131 -7.590 1.00 0.00 N ATOM 0 H ARG A 59 -5.347 -7.426 -6.452 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.433 -9.449 -6.344 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.948 -9.266 -8.039 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.071 -10.740 -7.681 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.534 -10.437 -5.262 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.396 -8.951 -5.608 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.969 -10.820 -5.336 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.043 -10.183 -6.967 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.151 -12.320 -6.940 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.612 -11.730 -6.570 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.067 -13.325 -7.178 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.743 -14.365 -7.723 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.449 -14.811 -7.828 1.00 0.00 H new ATOM 952 N SER A 60 -3.754 -8.007 -9.299 1.00 0.00 N ATOM 953 CA SER A 60 -3.094 -7.821 -10.583 1.00 0.00 C ATOM 954 C SER A 60 -1.670 -7.311 -10.383 1.00 0.00 C ATOM 955 O SER A 60 -0.782 -7.598 -11.185 1.00 0.00 O ATOM 956 CB SER A 60 -3.884 -6.843 -11.452 1.00 0.00 C ATOM 957 OG SER A 60 -3.261 -6.663 -12.712 1.00 0.00 O ATOM 0 H SER A 60 -4.589 -7.438 -9.161 1.00 0.00 H new ATOM 0 HA SER A 60 -3.052 -8.785 -11.089 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.898 -7.216 -11.594 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.966 -5.883 -10.943 1.00 0.00 H new ATOM 0 HG SER A 60 -3.786 -6.034 -13.250 1.00 0.00 H new ATOM 963 N LEU A 61 -1.458 -6.547 -9.312 1.00 0.00 N ATOM 964 CA LEU A 61 -0.130 -6.015 -9.024 1.00 0.00 C ATOM 965 C LEU A 61 0.847 -7.141 -8.703 1.00 0.00 C ATOM 966 O LEU A 61 2.028 -7.057 -9.039 1.00 0.00 O ATOM 967 CB LEU A 61 -0.173 -4.999 -7.879 1.00 0.00 C ATOM 968 CG LEU A 61 -0.424 -3.556 -8.313 1.00 0.00 C ATOM 969 CD1 LEU A 61 -1.913 -3.287 -8.460 1.00 0.00 C ATOM 970 CD2 LEU A 61 0.210 -2.591 -7.327 1.00 0.00 C ATOM 0 H LEU A 61 -2.179 -6.286 -8.639 1.00 0.00 H new ATOM 0 HA LEU A 61 0.219 -5.499 -9.918 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.955 -5.294 -7.179 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.772 -5.042 -7.338 1.00 0.00 H new ATOM 0 HG LEU A 61 0.039 -3.402 -9.288 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.067 -2.253 -8.770 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.331 -3.957 -9.211 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.410 -3.457 -7.505 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.023 -1.567 -7.649 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.222 -2.745 -6.338 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.285 -2.768 -7.285 1.00 0.00 H new ATOM 982 N LEU A 62 0.353 -8.189 -8.046 1.00 0.00 N ATOM 983 CA LEU A 62 1.188 -9.337 -7.716 1.00 0.00 C ATOM 984 C LEU A 62 1.842 -9.852 -8.983 1.00 0.00 C ATOM 985 O LEU A 62 2.999 -10.273 -8.986 1.00 0.00 O ATOM 986 CB LEU A 62 0.346 -10.452 -7.096 1.00 0.00 C ATOM 987 CG LEU A 62 -0.462 -10.066 -5.856 1.00 0.00 C ATOM 988 CD1 LEU A 62 -1.629 -11.024 -5.673 1.00 0.00 C ATOM 989 CD2 LEU A 62 0.421 -10.072 -4.617 1.00 0.00 C ATOM 0 H LEU A 62 -0.615 -8.265 -7.734 1.00 0.00 H new ATOM 0 HA LEU A 62 1.947 -9.029 -6.997 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.343 -10.825 -7.854 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.008 -11.277 -6.833 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.850 -9.057 -5.997 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.197 -10.740 -4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.276 -10.981 -6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.251 -12.039 -5.551 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.173 -9.795 -3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.836 -11.069 -4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.233 -9.356 -4.745 1.00 0.00 H new ATOM 1001 N HIS A 63 1.069 -9.810 -10.062 1.00 0.00 N ATOM 1002 CA HIS A 63 1.535 -10.255 -11.362 1.00 0.00 C ATOM 1003 C HIS A 63 2.686 -9.383 -11.849 1.00 0.00 C ATOM 1004 O HIS A 63 3.592 -9.859 -12.532 1.00 0.00 O ATOM 1005 CB HIS A 63 0.380 -10.211 -12.361 1.00 0.00 C ATOM 1006 CG HIS A 63 0.736 -10.726 -13.722 1.00 0.00 C ATOM 1007 ND1 HIS A 63 0.498 -12.024 -14.121 1.00 0.00 N ATOM 1008 CD2 HIS A 63 1.312 -10.109 -14.780 1.00 0.00 C ATOM 1009 CE1 HIS A 63 0.913 -12.184 -15.365 1.00 0.00 C ATOM 1010 NE2 HIS A 63 1.409 -11.036 -15.789 1.00 0.00 N ATOM 0 H HIS A 63 0.108 -9.468 -10.057 1.00 0.00 H new ATOM 0 HA HIS A 63 1.898 -11.279 -11.275 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.451 -10.797 -11.967 1.00 0.00 H new ATOM 0 HB3 HIS A 63 0.030 -9.183 -12.452 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.635 -9.079 -14.823 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.856 -13.098 -15.938 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.801 -10.865 -16.715 1.00 0.00 H new ATOM 1019 N ARG A 64 2.647 -8.102 -11.490 1.00 0.00 N ATOM 1020 CA ARG A 64 3.692 -7.172 -11.889 1.00 0.00 C ATOM 1021 C ARG A 64 4.901 -7.301 -10.970 1.00 0.00 C ATOM 1022 O ARG A 64 5.926 -6.656 -11.183 1.00 0.00 O ATOM 1023 CB ARG A 64 3.161 -5.740 -11.868 1.00 0.00 C ATOM 1024 CG ARG A 64 1.951 -5.535 -12.764 1.00 0.00 C ATOM 1025 CD ARG A 64 1.570 -4.066 -12.863 1.00 0.00 C ATOM 1026 NE ARG A 64 0.402 -3.862 -13.715 1.00 0.00 N ATOM 1027 CZ ARG A 64 0.232 -2.795 -14.490 1.00 0.00 C ATOM 1028 NH1 ARG A 64 1.156 -1.845 -14.526 1.00 0.00 N ATOM 1029 NH2 ARG A 64 -0.861 -2.679 -15.231 1.00 0.00 N ATOM 0 H ARG A 64 1.905 -7.689 -10.926 1.00 0.00 H new ATOM 0 HA ARG A 64 4.003 -7.416 -12.905 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.896 -5.473 -10.845 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.955 -5.061 -12.180 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.165 -5.924 -13.760 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.108 -6.105 -12.374 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.364 -3.676 -11.866 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.412 -3.499 -13.260 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.324 -4.578 -13.716 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.999 -1.932 -13.959 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.024 -1.027 -15.121 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.573 -3.409 -15.207 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.990 -1.860 -15.825 1.00 0.00 H new ATOM 1043 N ASN A 65 4.761 -8.139 -9.945 1.00 0.00 N ATOM 1044 CA ASN A 65 5.838 -8.378 -8.987 1.00 0.00 C ATOM 1045 C ASN A 65 6.116 -7.146 -8.128 1.00 0.00 C ATOM 1046 O ASN A 65 7.211 -6.995 -7.587 1.00 0.00 O ATOM 1047 CB ASN A 65 7.115 -8.813 -9.712 1.00 0.00 C ATOM 1048 CG ASN A 65 6.920 -10.087 -10.513 1.00 0.00 C ATOM 1049 OD1 ASN A 65 7.572 -10.295 -11.536 1.00 0.00 O ATOM 1050 ND2 ASN A 65 6.019 -10.947 -10.049 1.00 0.00 N ATOM 0 H ASN A 65 3.908 -8.666 -9.756 1.00 0.00 H new ATOM 0 HA ASN A 65 5.512 -9.180 -8.325 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.441 -8.014 -10.378 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.910 -8.964 -8.982 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.845 -11.821 -10.545 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.501 -10.733 -9.196 1.00 0.00 H new ATOM 1057 N LEU A 66 5.122 -6.272 -8.003 1.00 0.00 N ATOM 1058 CA LEU A 66 5.272 -5.071 -7.185 1.00 0.00 C ATOM 1059 C LEU A 66 4.816 -5.357 -5.765 1.00 0.00 C ATOM 1060 O LEU A 66 5.199 -4.669 -4.818 1.00 0.00 O ATOM 1061 CB LEU A 66 4.468 -3.904 -7.751 1.00 0.00 C ATOM 1062 CG LEU A 66 4.544 -3.704 -9.270 1.00 0.00 C ATOM 1063 CD1 LEU A 66 4.141 -2.287 -9.629 1.00 0.00 C ATOM 1064 CD2 LEU A 66 5.939 -3.997 -9.800 1.00 0.00 C ATOM 0 H LEU A 66 4.212 -6.370 -8.453 1.00 0.00 H new ATOM 0 HA LEU A 66 6.326 -4.793 -7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.423 -4.042 -7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.807 -2.988 -7.267 1.00 0.00 H new ATOM 0 HG LEU A 66 3.852 -4.406 -9.735 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.198 -2.155 -10.709 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.120 -2.103 -9.295 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.815 -1.582 -9.141 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.957 -3.845 -10.879 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.656 -3.326 -9.327 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.205 -5.030 -9.574 1.00 0.00 H new ATOM 1076 N VAL A 67 3.989 -6.385 -5.634 1.00 0.00 N ATOM 1077 CA VAL A 67 3.473 -6.807 -4.340 1.00 0.00 C ATOM 1078 C VAL A 67 3.669 -8.308 -4.161 1.00 0.00 C ATOM 1079 O VAL A 67 4.049 -9.006 -5.101 1.00 0.00 O ATOM 1080 CB VAL A 67 1.983 -6.458 -4.179 1.00 0.00 C ATOM 1081 CG1 VAL A 67 1.804 -4.963 -3.974 1.00 0.00 C ATOM 1082 CG2 VAL A 67 1.196 -6.927 -5.386 1.00 0.00 C ATOM 0 H VAL A 67 3.658 -6.947 -6.418 1.00 0.00 H new ATOM 0 HA VAL A 67 4.031 -6.269 -3.573 1.00 0.00 H new ATOM 0 HB VAL A 67 1.602 -6.973 -3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.744 -4.735 -3.862 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.339 -4.652 -3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.201 -4.427 -4.836 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.144 -6.672 -5.256 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.579 -6.439 -6.282 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.298 -8.007 -5.489 1.00 0.00 H new ATOM 1092 N LEU A 68 3.409 -8.801 -2.957 1.00 0.00 N ATOM 1093 CA LEU A 68 3.579 -10.221 -2.667 1.00 0.00 C ATOM 1094 C LEU A 68 2.312 -10.808 -2.057 1.00 0.00 C ATOM 1095 O LEU A 68 1.748 -10.236 -1.128 1.00 0.00 O ATOM 1096 CB LEU A 68 4.750 -10.408 -1.703 1.00 0.00 C ATOM 1097 CG LEU A 68 5.573 -11.685 -1.900 1.00 0.00 C ATOM 1098 CD1 LEU A 68 6.795 -11.673 -0.997 1.00 0.00 C ATOM 1099 CD2 LEU A 68 4.726 -12.919 -1.628 1.00 0.00 C ATOM 0 H LEU A 68 3.081 -8.243 -2.169 1.00 0.00 H new ATOM 0 HA LEU A 68 3.783 -10.744 -3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.416 -9.550 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.363 -10.400 -0.684 1.00 0.00 H new ATOM 0 HG LEU A 68 5.906 -11.720 -2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.369 -12.587 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.416 -10.810 -1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.478 -11.613 0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.330 -13.814 -1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.361 -12.891 -0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.879 -12.937 -2.314 1.00 0.00 H new ATOM 1111 N ARG A 69 1.871 -11.952 -2.584 1.00 0.00 N ATOM 1112 CA ARG A 69 0.671 -12.621 -2.082 1.00 0.00 C ATOM 1113 C ARG A 69 1.037 -13.774 -1.156 1.00 0.00 C ATOM 1114 O ARG A 69 2.108 -14.368 -1.278 1.00 0.00 O ATOM 1115 CB ARG A 69 -0.191 -13.144 -3.226 1.00 0.00 C ATOM 1116 CG ARG A 69 0.608 -13.777 -4.349 1.00 0.00 C ATOM 1117 CD ARG A 69 -0.256 -14.700 -5.192 1.00 0.00 C ATOM 1118 NE ARG A 69 0.497 -15.309 -6.285 1.00 0.00 N ATOM 1119 CZ ARG A 69 -0.039 -16.136 -7.178 1.00 0.00 C ATOM 1120 NH1 ARG A 69 -1.326 -16.450 -7.109 1.00 0.00 N ATOM 1121 NH2 ARG A 69 0.714 -16.650 -8.142 1.00 0.00 N ATOM 0 H ARG A 69 2.328 -12.434 -3.358 1.00 0.00 H new ATOM 0 HA ARG A 69 0.100 -11.880 -1.522 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.894 -13.878 -2.833 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.781 -12.322 -3.630 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.033 -12.996 -4.980 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.443 -14.339 -3.931 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.674 -15.483 -4.559 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.096 -14.138 -5.600 1.00 0.00 H new ATOM 0 HE ARG A 69 1.489 -15.088 -6.368 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.908 -16.057 -6.369 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.734 -17.085 -7.796 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.704 -16.411 -8.198 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.303 -17.284 -8.827 1.00 0.00 H new ATOM 1135 N THR A 70 0.136 -14.087 -0.232 1.00 0.00 N ATOM 1136 CA THR A 70 0.379 -15.156 0.724 1.00 0.00 C ATOM 1137 C THR A 70 -0.783 -16.158 0.783 1.00 0.00 C ATOM 1138 O THR A 70 -1.730 -16.086 0.000 1.00 0.00 O ATOM 1139 CB THR A 70 0.677 -14.587 2.124 1.00 0.00 C ATOM 1140 OG1 THR A 70 1.393 -13.357 1.992 1.00 0.00 O ATOM 1141 CG2 THR A 70 1.517 -15.552 2.947 1.00 0.00 C ATOM 0 H THR A 70 -0.764 -13.618 -0.126 1.00 0.00 H new ATOM 0 HA THR A 70 1.257 -15.699 0.375 1.00 0.00 H new ATOM 0 HB THR A 70 -0.274 -14.429 2.633 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.865 -12.727 1.458 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.709 -15.120 3.929 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.980 -16.494 3.063 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.464 -15.735 2.439 1.00 0.00 H new ATOM 1149 N HIS A 71 -0.667 -17.092 1.722 1.00 0.00 N ATOM 1150 CA HIS A 71 -1.623 -18.181 1.935 1.00 0.00 C ATOM 1151 C HIS A 71 -3.061 -17.878 1.486 1.00 0.00 C ATOM 1152 O HIS A 71 -3.614 -18.651 0.707 1.00 0.00 O ATOM 1153 CB HIS A 71 -1.638 -18.475 3.431 1.00 0.00 C ATOM 1154 CG HIS A 71 -1.239 -19.868 3.790 1.00 0.00 C ATOM 1155 ND1 HIS A 71 -2.005 -20.978 3.503 1.00 0.00 N ATOM 1156 CD2 HIS A 71 -0.133 -20.327 4.420 1.00 0.00 C ATOM 1157 CE1 HIS A 71 -1.389 -22.060 3.944 1.00 0.00 C ATOM 1158 NE2 HIS A 71 -0.251 -21.693 4.503 1.00 0.00 N ATOM 0 H HIS A 71 0.116 -17.116 2.376 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.294 -19.022 1.324 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.967 -17.777 3.933 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.640 -18.287 3.816 1.00 0.00 H new ATOM 0 HD2 HIS A 71 0.689 -19.731 4.789 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.754 -23.073 3.861 1.00 0.00 H new ATOM 0 HE2 HIS A 71 0.430 -22.322 4.928 1.00 0.00 H new ATOM 1167 N GLN A 72 -3.642 -16.780 2.004 1.00 0.00 N ATOM 1168 CA GLN A 72 -5.028 -16.364 1.653 1.00 0.00 C ATOM 1169 C GLN A 72 -5.926 -16.386 2.899 1.00 0.00 C ATOM 1170 O GLN A 72 -6.197 -17.460 3.436 1.00 0.00 O ATOM 1171 CB GLN A 72 -5.677 -17.219 0.553 1.00 0.00 C ATOM 1172 CG GLN A 72 -5.148 -16.927 -0.844 1.00 0.00 C ATOM 1173 CD GLN A 72 -5.793 -17.796 -1.905 1.00 0.00 C ATOM 1174 OE1 GLN A 72 -5.306 -18.884 -2.213 1.00 0.00 O ATOM 1175 NE2 GLN A 72 -6.894 -17.318 -2.472 1.00 0.00 N ATOM 0 H GLN A 72 -3.179 -16.159 2.668 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.937 -15.352 1.259 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.513 -18.272 0.781 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.754 -17.054 0.565 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.323 -15.878 -1.083 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -4.069 -17.082 -0.860 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.263 -16.411 -2.186 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.371 -17.858 -3.194 1.00 0.00 H new ATOM 1184 N PRO A 73 -6.408 -15.211 3.394 1.00 0.00 N ATOM 1185 CA PRO A 73 -6.136 -13.879 2.815 1.00 0.00 C ATOM 1186 C PRO A 73 -4.657 -13.660 2.536 1.00 0.00 C ATOM 1187 O PRO A 73 -3.839 -13.609 3.454 1.00 0.00 O ATOM 1188 CB PRO A 73 -6.624 -12.918 3.897 1.00 0.00 C ATOM 1189 CG PRO A 73 -7.695 -13.668 4.605 1.00 0.00 C ATOM 1190 CD PRO A 73 -7.273 -15.113 4.585 1.00 0.00 C ATOM 0 HA PRO A 73 -6.628 -13.744 1.852 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.817 -12.642 4.576 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.006 -11.994 3.464 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.811 -13.310 5.628 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.657 -13.536 4.110 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.735 -15.385 5.493 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.132 -15.780 4.511 1.00 0.00 H new ATOM 1198 N ALA A 74 -4.328 -13.537 1.256 1.00 0.00 N ATOM 1199 CA ALA A 74 -2.947 -13.373 0.851 1.00 0.00 C ATOM 1200 C ALA A 74 -2.317 -12.149 1.480 1.00 0.00 C ATOM 1201 O ALA A 74 -2.627 -11.018 1.107 1.00 0.00 O ATOM 1202 CB ALA A 74 -2.860 -13.290 -0.666 1.00 0.00 C ATOM 0 H ALA A 74 -4.999 -13.548 0.488 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.391 -14.243 1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.819 -13.167 -0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.257 -14.206 -1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.442 -12.438 -1.018 1.00 0.00 H new ATOM 1208 N ARG A 75 -1.436 -12.375 2.446 1.00 0.00 N ATOM 1209 CA ARG A 75 -0.745 -11.271 3.088 1.00 0.00 C ATOM 1210 C ARG A 75 0.036 -10.523 2.012 1.00 0.00 C ATOM 1211 O ARG A 75 0.764 -11.134 1.232 1.00 0.00 O ATOM 1212 CB ARG A 75 0.182 -11.808 4.182 1.00 0.00 C ATOM 1213 CG ARG A 75 -0.528 -12.722 5.173 1.00 0.00 C ATOM 1214 CD ARG A 75 0.423 -13.729 5.806 1.00 0.00 C ATOM 1215 NE ARG A 75 -0.116 -14.285 7.044 1.00 0.00 N ATOM 1216 CZ ARG A 75 0.502 -15.213 7.767 1.00 0.00 C ATOM 1217 NH1 ARG A 75 1.678 -15.689 7.377 1.00 0.00 N ATOM 1218 NH2 ARG A 75 -0.053 -15.666 8.883 1.00 0.00 N ATOM 0 H ARG A 75 -1.187 -13.300 2.796 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.450 -10.589 3.564 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.003 -12.354 3.718 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.621 -10.969 4.721 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.990 -12.119 5.955 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.332 -13.254 4.664 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.618 -14.537 5.100 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.379 -13.246 6.011 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.018 -13.941 7.373 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.110 -15.342 6.520 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.150 -16.401 7.934 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.956 -15.302 9.188 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.423 -16.378 9.437 1.00 0.00 H new ATOM 1232 N TYR A 76 -0.116 -9.206 1.960 1.00 0.00 N ATOM 1233 CA TYR A 76 0.566 -8.450 0.919 1.00 0.00 C ATOM 1234 C TYR A 76 1.757 -7.667 1.441 1.00 0.00 C ATOM 1235 O TYR A 76 1.727 -7.112 2.534 1.00 0.00 O ATOM 1236 CB TYR A 76 -0.422 -7.530 0.207 1.00 0.00 C ATOM 1237 CG TYR A 76 -1.528 -8.290 -0.489 1.00 0.00 C ATOM 1238 CD1 TYR A 76 -1.252 -9.085 -1.594 1.00 0.00 C ATOM 1239 CD2 TYR A 76 -2.840 -8.225 -0.038 1.00 0.00 C ATOM 1240 CE1 TYR A 76 -2.252 -9.792 -2.233 1.00 0.00 C ATOM 1241 CE2 TYR A 76 -3.848 -8.929 -0.673 1.00 0.00 C ATOM 1242 CZ TYR A 76 -3.548 -9.709 -1.769 1.00 0.00 C ATOM 1243 OH TYR A 76 -4.547 -10.413 -2.403 1.00 0.00 O ATOM 0 H TYR A 76 -0.685 -8.655 2.602 1.00 0.00 H new ATOM 0 HA TYR A 76 0.965 -9.172 0.206 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.859 -6.843 0.931 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.114 -6.925 -0.524 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.238 -9.152 -1.960 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -3.077 -7.616 0.822 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.020 -10.406 -3.091 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.864 -8.868 -0.312 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.401 -10.247 -1.952 1.00 0.00 H new ATOM 1253 N SER A 77 2.807 -7.634 0.626 1.00 0.00 N ATOM 1254 CA SER A 77 4.032 -6.927 0.974 1.00 0.00 C ATOM 1255 C SER A 77 4.648 -6.291 -0.266 1.00 0.00 C ATOM 1256 O SER A 77 4.420 -6.746 -1.386 1.00 0.00 O ATOM 1257 CB SER A 77 5.034 -7.881 1.628 1.00 0.00 C ATOM 1258 OG SER A 77 5.401 -8.924 0.744 1.00 0.00 O ATOM 0 H SER A 77 2.832 -8.092 -0.285 1.00 0.00 H new ATOM 0 HA SER A 77 3.784 -6.140 1.686 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.923 -7.327 1.930 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.599 -8.304 2.533 1.00 0.00 H new ATOM 0 HG SER A 77 6.043 -9.517 1.187 1.00 0.00 H new ATOM 1264 N LEU A 78 5.428 -5.239 -0.059 1.00 0.00 N ATOM 1265 CA LEU A 78 6.065 -4.540 -1.169 1.00 0.00 C ATOM 1266 C LEU A 78 7.319 -5.256 -1.655 1.00 0.00 C ATOM 1267 O LEU A 78 8.214 -5.563 -0.868 1.00 0.00 O ATOM 1268 CB LEU A 78 6.453 -3.124 -0.749 1.00 0.00 C ATOM 1269 CG LEU A 78 5.302 -2.149 -0.517 1.00 0.00 C ATOM 1270 CD1 LEU A 78 5.849 -0.743 -0.368 1.00 0.00 C ATOM 1271 CD2 LEU A 78 4.298 -2.207 -1.656 1.00 0.00 C ATOM 0 H LEU A 78 5.635 -4.852 0.862 1.00 0.00 H new ATOM 0 HA LEU A 78 5.339 -4.515 -1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.038 -3.187 0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.106 -2.706 -1.515 1.00 0.00 H new ATOM 0 HG LEU A 78 4.784 -2.434 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.026 -0.048 -0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.531 -0.706 0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.384 -0.463 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.489 -1.502 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.793 -1.945 -2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.891 -3.215 -1.731 1.00 0.00 H new ATOM 1283 N THR A 79 7.376 -5.519 -2.956 1.00 0.00 N ATOM 1284 CA THR A 79 8.549 -6.152 -3.532 1.00 0.00 C ATOM 1285 C THR A 79 9.534 -5.054 -3.957 1.00 0.00 C ATOM 1286 O THR A 79 9.243 -3.878 -3.757 1.00 0.00 O ATOM 1287 CB THR A 79 8.151 -7.034 -4.733 1.00 0.00 C ATOM 1288 OG1 THR A 79 6.750 -6.911 -4.983 1.00 0.00 O ATOM 1289 CG2 THR A 79 8.485 -8.497 -4.472 1.00 0.00 C ATOM 0 H THR A 79 6.633 -5.306 -3.621 1.00 0.00 H new ATOM 0 HA THR A 79 9.023 -6.800 -2.795 1.00 0.00 H new ATOM 0 HB THR A 79 8.715 -6.695 -5.602 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.440 -7.686 -5.496 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.194 -9.096 -5.335 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.557 -8.601 -4.303 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.944 -8.842 -3.591 1.00 0.00 H new ATOM 1297 N PRO A 80 10.706 -5.392 -4.531 1.00 0.00 N ATOM 1298 CA PRO A 80 11.688 -4.381 -4.946 1.00 0.00 C ATOM 1299 C PRO A 80 11.074 -3.188 -5.672 1.00 0.00 C ATOM 1300 O PRO A 80 11.366 -2.038 -5.342 1.00 0.00 O ATOM 1301 CB PRO A 80 12.582 -5.166 -5.897 1.00 0.00 C ATOM 1302 CG PRO A 80 12.583 -6.544 -5.338 1.00 0.00 C ATOM 1303 CD PRO A 80 11.202 -6.762 -4.782 1.00 0.00 C ATOM 0 HA PRO A 80 12.195 -3.939 -4.088 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.193 -5.149 -6.915 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.589 -4.750 -5.933 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.814 -7.279 -6.109 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.339 -6.650 -4.560 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.566 -7.295 -5.488 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.227 -7.353 -3.866 1.00 0.00 H new ATOM 1311 N GLU A 81 10.228 -3.456 -6.657 1.00 0.00 N ATOM 1312 CA GLU A 81 9.600 -2.385 -7.420 1.00 0.00 C ATOM 1313 C GLU A 81 8.568 -1.627 -6.588 1.00 0.00 C ATOM 1314 O GLU A 81 8.567 -0.397 -6.569 1.00 0.00 O ATOM 1315 CB GLU A 81 8.947 -2.947 -8.679 1.00 0.00 C ATOM 1316 CG GLU A 81 9.915 -3.669 -9.600 1.00 0.00 C ATOM 1317 CD GLU A 81 9.257 -4.143 -10.881 1.00 0.00 C ATOM 1318 OE1 GLU A 81 9.246 -3.372 -11.864 1.00 0.00 O ATOM 1319 OE2 GLU A 81 8.752 -5.286 -10.900 1.00 0.00 O ATOM 0 H GLU A 81 9.962 -4.398 -6.945 1.00 0.00 H new ATOM 0 HA GLU A 81 10.382 -1.680 -7.702 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.153 -3.636 -8.389 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.477 -2.131 -9.228 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.742 -3.003 -9.846 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.340 -4.525 -9.076 1.00 0.00 H new ATOM 1326 N GLY A 82 7.687 -2.357 -5.907 1.00 0.00 N ATOM 1327 CA GLY A 82 6.682 -1.687 -5.098 1.00 0.00 C ATOM 1328 C GLY A 82 7.303 -0.850 -4.005 1.00 0.00 C ATOM 1329 O GLY A 82 6.747 0.167 -3.602 1.00 0.00 O ATOM 0 H GLY A 82 7.650 -3.376 -5.899 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.067 -1.052 -5.736 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.019 -2.430 -4.654 1.00 0.00 H new ATOM 1333 N LEU A 83 8.461 -1.284 -3.524 1.00 0.00 N ATOM 1334 CA LEU A 83 9.168 -0.563 -2.476 1.00 0.00 C ATOM 1335 C LEU A 83 9.683 0.759 -3.017 1.00 0.00 C ATOM 1336 O LEU A 83 9.471 1.816 -2.423 1.00 0.00 O ATOM 1337 CB LEU A 83 10.343 -1.397 -1.957 1.00 0.00 C ATOM 1338 CG LEU A 83 10.555 -1.366 -0.438 1.00 0.00 C ATOM 1339 CD1 LEU A 83 10.794 0.051 0.051 1.00 0.00 C ATOM 1340 CD2 LEU A 83 9.364 -1.975 0.281 1.00 0.00 C ATOM 0 H LEU A 83 8.930 -2.132 -3.844 1.00 0.00 H new ATOM 0 HA LEU A 83 8.477 -0.374 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.195 -2.432 -2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.255 -1.048 -2.441 1.00 0.00 H new ATOM 0 HG LEU A 83 11.441 -1.959 -0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.941 0.043 1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.682 0.458 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.931 0.671 -0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.534 -1.944 1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.464 -1.409 0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.238 -3.010 -0.036 1.00 0.00 H new ATOM 1352 N GLU A 84 10.362 0.683 -4.154 1.00 0.00 N ATOM 1353 CA GLU A 84 10.911 1.884 -4.778 1.00 0.00 C ATOM 1354 C GLU A 84 9.801 2.849 -5.143 1.00 0.00 C ATOM 1355 O GLU A 84 9.834 4.020 -4.767 1.00 0.00 O ATOM 1356 CB GLU A 84 11.707 1.529 -6.035 1.00 0.00 C ATOM 1357 CG GLU A 84 12.922 0.665 -5.761 1.00 0.00 C ATOM 1358 CD GLU A 84 13.681 0.307 -7.024 1.00 0.00 C ATOM 1359 OE1 GLU A 84 14.589 1.074 -7.408 1.00 0.00 O ATOM 1360 OE2 GLU A 84 13.370 -0.741 -7.628 1.00 0.00 O ATOM 0 H GLU A 84 10.545 -0.184 -4.659 1.00 0.00 H new ATOM 0 HA GLU A 84 11.578 2.358 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.052 1.009 -6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.029 2.449 -6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.589 1.190 -5.077 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.607 -0.250 -5.260 1.00 0.00 H new ATOM 1367 N LEU A 85 8.815 2.344 -5.869 1.00 0.00 N ATOM 1368 CA LEU A 85 7.701 3.173 -6.287 1.00 0.00 C ATOM 1369 C LEU A 85 6.993 3.764 -5.077 1.00 0.00 C ATOM 1370 O LEU A 85 6.782 4.972 -5.001 1.00 0.00 O ATOM 1371 CB LEU A 85 6.720 2.349 -7.121 1.00 0.00 C ATOM 1372 CG LEU A 85 6.384 2.929 -8.497 1.00 0.00 C ATOM 1373 CD1 LEU A 85 5.476 1.983 -9.267 1.00 0.00 C ATOM 1374 CD2 LEU A 85 5.734 4.297 -8.358 1.00 0.00 C ATOM 0 H LEU A 85 8.765 1.373 -6.177 1.00 0.00 H new ATOM 0 HA LEU A 85 8.085 3.991 -6.896 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.134 1.350 -7.257 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.794 2.236 -6.557 1.00 0.00 H new ATOM 0 HG LEU A 85 7.313 3.046 -9.055 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.248 2.412 -10.243 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.978 1.025 -9.400 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.551 1.834 -8.711 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.503 4.692 -9.347 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.815 4.206 -7.780 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.418 4.975 -7.847 1.00 0.00 H new ATOM 1386 N ALA A 86 6.656 2.906 -4.118 1.00 0.00 N ATOM 1387 CA ALA A 86 5.962 3.361 -2.915 1.00 0.00 C ATOM 1388 C ALA A 86 6.735 4.473 -2.224 1.00 0.00 C ATOM 1389 O ALA A 86 6.147 5.428 -1.719 1.00 0.00 O ATOM 1390 CB ALA A 86 5.733 2.206 -1.956 1.00 0.00 C ATOM 0 H ALA A 86 6.849 1.905 -4.148 1.00 0.00 H new ATOM 0 HA ALA A 86 4.994 3.757 -3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.215 2.568 -1.068 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.127 1.443 -2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.693 1.777 -1.667 1.00 0.00 H new ATOM 1396 N GLN A 87 8.057 4.341 -2.201 1.00 0.00 N ATOM 1397 CA GLN A 87 8.903 5.349 -1.582 1.00 0.00 C ATOM 1398 C GLN A 87 8.628 6.695 -2.237 1.00 0.00 C ATOM 1399 O GLN A 87 8.659 7.743 -1.592 1.00 0.00 O ATOM 1400 CB GLN A 87 10.377 4.968 -1.742 1.00 0.00 C ATOM 1401 CG GLN A 87 11.267 5.460 -0.612 1.00 0.00 C ATOM 1402 CD GLN A 87 11.284 6.971 -0.488 1.00 0.00 C ATOM 1403 OE1 GLN A 87 10.484 7.553 0.244 1.00 0.00 O ATOM 1404 NE2 GLN A 87 12.198 7.613 -1.205 1.00 0.00 N ATOM 0 H GLN A 87 8.561 3.550 -2.602 1.00 0.00 H new ATOM 0 HA GLN A 87 8.681 5.413 -0.517 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.456 3.883 -1.808 1.00 0.00 H new ATOM 0 HB3 GLN A 87 10.746 5.372 -2.684 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.924 5.027 0.328 1.00 0.00 H new ATOM 0 HG3 GLN A 87 12.284 5.103 -0.775 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.841 7.089 -1.799 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.257 8.630 -1.162 1.00 0.00 H new ATOM 1413 N LYS A 88 8.351 6.639 -3.534 1.00 0.00 N ATOM 1414 CA LYS A 88 8.050 7.838 -4.301 1.00 0.00 C ATOM 1415 C LYS A 88 6.670 8.376 -3.940 1.00 0.00 C ATOM 1416 O LYS A 88 6.494 9.576 -3.730 1.00 0.00 O ATOM 1417 CB LYS A 88 8.117 7.519 -5.792 1.00 0.00 C ATOM 1418 CG LYS A 88 9.327 6.676 -6.166 1.00 0.00 C ATOM 1419 CD LYS A 88 9.326 6.290 -7.637 1.00 0.00 C ATOM 1420 CE LYS A 88 10.400 5.251 -7.937 1.00 0.00 C ATOM 1421 NZ LYS A 88 10.421 4.874 -9.376 1.00 0.00 N ATOM 0 H LYS A 88 8.329 5.775 -4.076 1.00 0.00 H new ATOM 0 HA LYS A 88 8.787 8.604 -4.061 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.209 6.992 -6.086 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.142 8.451 -6.357 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.238 7.230 -5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 88 9.341 5.773 -5.555 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.348 5.895 -7.911 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.494 7.177 -8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.375 5.644 -7.651 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.224 4.362 -7.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.165 4.166 -9.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.499 4.475 -9.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.614 5.717 -9.953 1.00 0.00 H new ATOM 1435 N LEU A 89 5.691 7.476 -3.879 1.00 0.00 N ATOM 1436 CA LEU A 89 4.336 7.861 -3.522 1.00 0.00 C ATOM 1437 C LEU A 89 4.333 8.549 -2.167 1.00 0.00 C ATOM 1438 O LEU A 89 3.454 9.354 -1.858 1.00 0.00 O ATOM 1439 CB LEU A 89 3.448 6.618 -3.468 1.00 0.00 C ATOM 1440 CG LEU A 89 2.990 6.071 -4.822 1.00 0.00 C ATOM 1441 CD1 LEU A 89 4.171 5.784 -5.732 1.00 0.00 C ATOM 1442 CD2 LEU A 89 2.161 4.812 -4.627 1.00 0.00 C ATOM 0 H LEU A 89 5.814 6.482 -4.072 1.00 0.00 H new ATOM 0 HA LEU A 89 3.951 8.550 -4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.988 5.831 -2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.565 6.850 -2.873 1.00 0.00 H new ATOM 0 HG LEU A 89 2.375 6.834 -5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.810 5.397 -6.685 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.731 6.704 -5.902 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.821 5.045 -5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.841 4.433 -5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.762 4.056 -4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.285 5.044 -4.021 1.00 0.00 H new ATOM 1454 N ALA A 90 5.334 8.213 -1.366 1.00 0.00 N ATOM 1455 CA ALA A 90 5.471 8.774 -0.028 1.00 0.00 C ATOM 1456 C ALA A 90 5.946 10.221 -0.074 1.00 0.00 C ATOM 1457 O ALA A 90 5.597 11.025 0.788 1.00 0.00 O ATOM 1458 CB ALA A 90 6.428 7.926 0.793 1.00 0.00 C ATOM 0 H ALA A 90 6.067 7.551 -1.621 1.00 0.00 H new ATOM 0 HA ALA A 90 4.489 8.766 0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.526 8.351 1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.041 6.910 0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.405 7.908 0.309 1.00 0.00 H new ATOM 1464 N GLU A 91 6.747 10.544 -1.083 1.00 0.00 N ATOM 1465 CA GLU A 91 7.264 11.901 -1.237 1.00 0.00 C ATOM 1466 C GLU A 91 6.118 12.899 -1.241 1.00 0.00 C ATOM 1467 O GLU A 91 6.178 13.945 -0.596 1.00 0.00 O ATOM 1468 CB GLU A 91 8.060 12.033 -2.534 1.00 0.00 C ATOM 1469 CG GLU A 91 9.017 10.884 -2.764 1.00 0.00 C ATOM 1470 CD GLU A 91 9.763 10.997 -4.078 1.00 0.00 C ATOM 1471 OE1 GLU A 91 9.205 10.581 -5.115 1.00 0.00 O ATOM 1472 OE2 GLU A 91 10.906 11.502 -4.070 1.00 0.00 O ATOM 0 H GLU A 91 7.052 9.890 -1.804 1.00 0.00 H new ATOM 0 HA GLU A 91 7.925 12.111 -0.396 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.367 12.094 -3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.621 12.967 -2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.736 10.846 -1.945 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.463 9.946 -2.745 1.00 0.00 H new ATOM 1479 N SER A 92 5.073 12.555 -1.983 1.00 0.00 N ATOM 1480 CA SER A 92 3.895 13.401 -2.090 1.00 0.00 C ATOM 1481 C SER A 92 3.216 13.574 -0.733 1.00 0.00 C ATOM 1482 O SER A 92 2.565 14.587 -0.480 1.00 0.00 O ATOM 1483 CB SER A 92 2.922 12.789 -3.094 1.00 0.00 C ATOM 1484 OG SER A 92 1.772 13.600 -3.257 1.00 0.00 O ATOM 0 H SER A 92 5.019 11.691 -2.522 1.00 0.00 H new ATOM 0 HA SER A 92 4.204 14.388 -2.435 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.420 12.663 -4.055 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.625 11.796 -2.756 1.00 0.00 H new ATOM 0 HG SER A 92 1.168 13.184 -3.907 1.00 0.00 H new ATOM 1490 N GLU A 93 3.375 12.579 0.135 1.00 0.00 N ATOM 1491 CA GLU A 93 2.781 12.628 1.462 1.00 0.00 C ATOM 1492 C GLU A 93 3.766 13.224 2.457 1.00 0.00 C ATOM 1493 O GLU A 93 3.453 13.391 3.636 1.00 0.00 O ATOM 1494 CB GLU A 93 2.410 11.218 1.915 1.00 0.00 C ATOM 1495 CG GLU A 93 1.739 10.384 0.839 1.00 0.00 C ATOM 1496 CD GLU A 93 0.332 10.853 0.527 1.00 0.00 C ATOM 1497 OE1 GLU A 93 -0.615 10.361 1.176 1.00 0.00 O ATOM 1498 OE2 GLU A 93 0.176 11.712 -0.366 1.00 0.00 O ATOM 0 H GLU A 93 3.909 11.732 -0.058 1.00 0.00 H new ATOM 0 HA GLU A 93 1.887 13.250 1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.312 10.705 2.249 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.745 11.287 2.776 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.339 10.420 -0.070 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.708 9.343 1.159 1.00 0.00 H new ATOM 1505 N GLY A 94 4.958 13.544 1.969 1.00 0.00 N ATOM 1506 CA GLY A 94 5.972 14.083 2.849 1.00 0.00 C ATOM 1507 C GLY A 94 6.677 12.968 3.586 1.00 0.00 C ATOM 1508 O GLY A 94 7.554 13.205 4.417 1.00 0.00 O ATOM 0 H GLY A 94 5.237 13.441 0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 94 6.695 14.660 2.271 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.516 14.768 3.563 1.00 0.00 H new ATOM 1512 N LEU A 95 6.271 11.740 3.268 1.00 0.00 N ATOM 1513 CA LEU A 95 6.836 10.546 3.879 1.00 0.00 C ATOM 1514 C LEU A 95 6.615 10.555 5.386 1.00 0.00 C ATOM 1515 O LEU A 95 7.396 9.981 6.146 1.00 0.00 O ATOM 1516 CB LEU A 95 8.329 10.438 3.559 1.00 0.00 C ATOM 1517 CG LEU A 95 8.795 9.060 3.077 1.00 0.00 C ATOM 1518 CD1 LEU A 95 10.310 8.955 3.147 1.00 0.00 C ATOM 1519 CD2 LEU A 95 8.139 7.949 3.887 1.00 0.00 C ATOM 0 H LEU A 95 5.542 11.549 2.580 1.00 0.00 H new ATOM 0 HA LEU A 95 6.327 9.676 3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 95 8.575 11.175 2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.896 10.704 4.451 1.00 0.00 H new ATOM 0 HG LEU A 95 8.490 8.942 2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.623 7.970 2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.757 9.721 2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.637 9.099 4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.486 6.981 3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.404 8.060 4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.056 8.010 3.778 1.00 0.00 H new ATOM 1531 N SER A 96 5.534 11.200 5.807 1.00 0.00 N ATOM 1532 CA SER A 96 5.199 11.286 7.220 1.00 0.00 C ATOM 1533 C SER A 96 4.138 10.252 7.583 1.00 0.00 C ATOM 1534 O SER A 96 3.381 10.432 8.538 1.00 0.00 O ATOM 1535 CB SER A 96 4.699 12.692 7.557 1.00 0.00 C ATOM 1536 OG SER A 96 4.399 12.813 8.937 1.00 0.00 O ATOM 0 H SER A 96 4.874 11.671 5.188 1.00 0.00 H new ATOM 0 HA SER A 96 6.097 11.080 7.802 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.456 13.426 7.281 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.809 12.915 6.968 1.00 0.00 H new ATOM 0 HG SER A 96 3.924 12.011 9.240 1.00 0.00 H new ATOM 1542 N LEU A 97 4.097 9.163 6.822 1.00 0.00 N ATOM 1543 CA LEU A 97 3.120 8.111 7.075 1.00 0.00 C ATOM 1544 C LEU A 97 3.460 7.361 8.358 1.00 0.00 C ATOM 1545 O LEU A 97 2.832 7.571 9.395 1.00 0.00 O ATOM 1546 CB LEU A 97 3.060 7.134 5.897 1.00 0.00 C ATOM 1547 CG LEU A 97 2.611 7.740 4.563 1.00 0.00 C ATOM 1548 CD1 LEU A 97 3.716 8.591 3.953 1.00 0.00 C ATOM 1549 CD2 LEU A 97 2.188 6.642 3.599 1.00 0.00 C ATOM 0 H LEU A 97 4.721 8.987 6.034 1.00 0.00 H new ATOM 0 HA LEU A 97 2.142 8.578 7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.048 6.693 5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.380 6.322 6.155 1.00 0.00 H new ATOM 0 HG LEU A 97 1.754 8.386 4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.373 9.010 3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.971 9.401 4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.597 7.973 3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.872 7.088 2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.029 5.972 3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.360 6.079 4.030 1.00 0.00 H new ATOM 1561 N LEU A 98 4.458 6.486 8.282 1.00 0.00 N ATOM 1562 CA LEU A 98 4.873 5.720 9.451 1.00 0.00 C ATOM 1563 C LEU A 98 5.514 6.638 10.487 1.00 0.00 C ATOM 1564 O LEU A 98 6.199 7.598 10.136 1.00 0.00 O ATOM 1565 CB LEU A 98 5.859 4.621 9.051 1.00 0.00 C ATOM 1566 CG LEU A 98 6.115 3.557 10.122 1.00 0.00 C ATOM 1567 CD1 LEU A 98 4.845 2.771 10.412 1.00 0.00 C ATOM 1568 CD2 LEU A 98 7.234 2.623 9.688 1.00 0.00 C ATOM 0 H LEU A 98 4.989 6.291 7.433 1.00 0.00 H new ATOM 0 HA LEU A 98 3.988 5.256 9.887 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.485 4.128 8.153 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.809 5.085 8.788 1.00 0.00 H new ATOM 0 HG LEU A 98 6.422 4.060 11.039 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.048 2.020 11.176 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.070 3.450 10.768 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.506 2.279 9.501 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.403 1.873 10.461 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.955 2.129 8.758 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.148 3.197 9.534 1.00 0.00 H new ATOM 1580 N ASN A 99 5.288 6.336 11.763 1.00 0.00 N ATOM 1581 CA ASN A 99 5.836 7.136 12.854 1.00 0.00 C ATOM 1582 C ASN A 99 5.363 8.585 12.759 1.00 0.00 C ATOM 1583 O ASN A 99 5.896 9.373 11.977 1.00 0.00 O ATOM 1584 CB ASN A 99 7.367 7.088 12.847 1.00 0.00 C ATOM 1585 CG ASN A 99 7.907 5.694 13.100 1.00 0.00 C ATOM 1586 OD1 ASN A 99 8.099 5.290 14.246 1.00 0.00 O ATOM 1587 ND2 ASN A 99 8.163 4.955 12.027 1.00 0.00 N ATOM 0 H ASN A 99 4.727 5.540 12.067 1.00 0.00 H new ATOM 0 HA ASN A 99 5.474 6.711 13.790 1.00 0.00 H new ATOM 0 HB2 ASN A 99 7.734 7.447 11.885 1.00 0.00 H new ATOM 0 HB3 ASN A 99 7.752 7.767 13.608 1.00 0.00 H new ATOM 0 HD21 ASN A 99 8.534 4.011 12.135 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.988 5.331 11.095 1.00 0.00 H new ATOM 1594 N VAL A 100 4.360 8.930 13.559 1.00 0.00 N ATOM 1595 CA VAL A 100 3.816 10.284 13.561 1.00 0.00 C ATOM 1596 C VAL A 100 3.731 10.846 14.976 1.00 0.00 C ATOM 1597 O VAL A 100 3.572 10.100 15.943 1.00 0.00 O ATOM 1598 CB VAL A 100 2.418 10.330 12.917 1.00 0.00 C ATOM 1599 CG1 VAL A 100 2.495 9.943 11.448 1.00 0.00 C ATOM 1600 CG2 VAL A 100 1.452 9.421 13.663 1.00 0.00 C ATOM 0 H VAL A 100 3.907 8.292 14.214 1.00 0.00 H new ATOM 0 HA VAL A 100 4.499 10.897 12.973 1.00 0.00 H new ATOM 0 HB VAL A 100 2.043 11.351 12.983 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.498 9.981 11.009 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.150 10.638 10.922 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.893 8.932 11.358 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.470 9.468 13.192 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.820 8.396 13.632 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.373 9.747 14.700 1.00 0.00 H new ATOM 1610 N GLY A 101 3.839 12.166 15.089 1.00 0.00 N ATOM 1611 CA GLY A 101 3.772 12.810 16.387 1.00 0.00 C ATOM 1612 C GLY A 101 3.711 14.322 16.281 1.00 0.00 C ATOM 1613 O GLY A 101 4.022 14.889 15.232 1.00 0.00 O ATOM 0 H GLY A 101 3.972 12.802 14.303 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.893 12.451 16.923 1.00 0.00 H new ATOM 0 HA3 GLY A 101 4.644 12.525 16.976 1.00 0.00 H new ATOM 1617 N ILE A 102 3.310 14.975 17.366 1.00 0.00 N ATOM 1618 CA ILE A 102 3.210 16.430 17.386 1.00 0.00 C ATOM 1619 C ILE A 102 4.435 17.063 18.039 1.00 0.00 C ATOM 1620 O ILE A 102 5.323 16.362 18.526 1.00 0.00 O ATOM 1621 CB ILE A 102 1.935 16.900 18.118 1.00 0.00 C ATOM 1622 CG1 ILE A 102 1.729 16.118 19.422 1.00 0.00 C ATOM 1623 CG2 ILE A 102 0.722 16.753 17.212 1.00 0.00 C ATOM 1624 CD1 ILE A 102 2.710 16.474 20.518 1.00 0.00 C ATOM 0 H ILE A 102 3.049 14.521 18.242 1.00 0.00 H new ATOM 0 HA ILE A 102 3.157 16.755 16.347 1.00 0.00 H new ATOM 0 HB ILE A 102 2.057 17.953 18.372 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.716 16.296 19.784 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.809 15.052 19.210 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.170 17.088 17.741 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.861 17.358 16.316 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.604 15.707 16.928 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.497 15.878 21.405 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.725 16.269 20.178 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.616 17.532 20.761 1.00 0.00 H new ATOM 1636 N GLY A 103 4.476 18.391 18.044 1.00 0.00 N ATOM 1637 CA GLY A 103 5.598 19.095 18.640 1.00 0.00 C ATOM 1638 C GLY A 103 5.809 20.469 18.035 1.00 0.00 C ATOM 1639 O GLY A 103 6.563 20.571 17.044 1.00 0.00 O ATOM 1640 OXT GLY A 103 5.220 21.442 18.550 1.00 0.00 O ATOM 0 H GLY A 103 3.754 18.992 17.647 1.00 0.00 H new ATOM 0 HA2 GLY A 103 5.431 19.196 19.712 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.504 18.502 18.512 1.00 0.00 H new TER 1644 GLY A 103