USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 627 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 PHE N :NH3+ 172:sc= 0.119 (180deg=-0.183) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.142 K(o=-0.14,f=-3.9!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.479 USER MOD Single : A 18 CYS SG : rot 180:sc= -5.22! USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 147:sc= -2.1 (180deg=-4.97!) USER MOD Single : A 29 HIS : no HD1:sc= -0.0665 X(o=-0.066,f=0) USER MOD Single : A 33 SER OG : rot -130:sc= 0.111 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -173:sc= -1.42 (180deg=-1.68) USER MOD Single : A 44 MET CE :methyl -169:sc= -0.126 (180deg=-0.231) USER MOD Single : A 46 ASN : amide:sc= -0.323 K(o=-0.32,f=-2) USER MOD Single : A 47 ASN : amide:sc= -0.603 K(o=-0.6,f=-1.6) USER MOD Single : A 48 THR OG1 : rot 3:sc= -0.913! USER MOD Single : A 53 LYS NZ :NH3+ 139:sc= 0.728 (180deg=-0.141) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.078) USER MOD Single : A 62 LYS NZ :NH3+ 166:sc= -0.63 (180deg=-0.998) USER MOD Single : A 64 LYS NZ :NH3+ -158:sc= -0.0111 (180deg=-0.69) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 30:sc= -0.785 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 0.681 22.818 -16.057 1.00 0.00 N ATOM 2 CA PHE A 1 0.061 22.548 -14.738 1.00 0.00 C ATOM 3 C PHE A 1 1.126 22.112 -13.736 1.00 0.00 C ATOM 4 O PHE A 1 0.862 21.324 -12.851 1.00 0.00 O ATOM 5 CB PHE A 1 -0.982 21.420 -14.872 1.00 0.00 C ATOM 6 CG PHE A 1 -2.254 21.980 -15.513 1.00 0.00 C ATOM 7 CD1 PHE A 1 -2.260 22.370 -16.841 1.00 0.00 C ATOM 8 CD2 PHE A 1 -3.420 22.095 -14.775 1.00 0.00 C ATOM 9 CE1 PHE A 1 -3.411 22.867 -17.419 1.00 0.00 C ATOM 10 CE2 PHE A 1 -4.568 22.593 -15.355 1.00 0.00 C ATOM 11 CZ PHE A 1 -4.563 22.976 -16.676 1.00 0.00 C ATOM 0 H1 PHE A 1 -0.064 22.982 -16.764 1.00 0.00 H new ATOM 0 H2 PHE A 1 1.286 23.661 -15.990 1.00 0.00 H new ATOM 0 H3 PHE A 1 1.257 22.001 -16.344 1.00 0.00 H new ATOM 0 HA PHE A 1 -0.420 23.461 -14.388 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -0.581 20.609 -15.480 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -1.209 21.001 -13.892 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -1.358 22.285 -17.429 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -3.431 21.793 -13.738 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -3.407 23.170 -18.455 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -5.472 22.682 -14.771 1.00 0.00 H new ATOM 0 HZ PHE A 1 -5.464 23.362 -17.130 1.00 0.00 H new ATOM 23 N LYS A 2 2.320 22.642 -13.894 1.00 0.00 N ATOM 24 CA LYS A 2 3.436 22.279 -12.962 1.00 0.00 C ATOM 25 C LYS A 2 3.806 23.458 -12.077 1.00 0.00 C ATOM 26 O LYS A 2 4.693 24.225 -12.401 1.00 0.00 O ATOM 27 CB LYS A 2 4.663 21.907 -13.805 1.00 0.00 C ATOM 28 CG LYS A 2 4.361 20.634 -14.600 1.00 0.00 C ATOM 29 CD LYS A 2 5.667 20.108 -15.228 1.00 0.00 C ATOM 30 CE LYS A 2 6.539 19.382 -14.158 1.00 0.00 C ATOM 31 NZ LYS A 2 7.902 19.976 -14.124 1.00 0.00 N ATOM 0 H LYS A 2 2.567 23.308 -14.626 1.00 0.00 H new ATOM 0 HA LYS A 2 3.117 21.449 -12.332 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.914 22.723 -14.483 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.528 21.751 -13.160 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.927 19.877 -13.947 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.627 20.842 -15.378 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.434 19.421 -16.042 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.228 20.936 -15.661 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.072 19.468 -13.177 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.602 18.319 -14.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 8.476 19.486 -13.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.349 19.872 -15.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.835 20.985 -13.883 1.00 0.00 H new ATOM 45 N ASP A 3 3.121 23.585 -10.974 1.00 0.00 N ATOM 46 CA ASP A 3 3.416 24.707 -10.053 1.00 0.00 C ATOM 47 C ASP A 3 4.943 24.814 -9.824 1.00 0.00 C ATOM 48 O ASP A 3 5.673 23.890 -10.126 1.00 0.00 O ATOM 49 CB ASP A 3 2.687 24.421 -8.691 1.00 0.00 C ATOM 50 CG ASP A 3 2.276 22.940 -8.601 1.00 0.00 C ATOM 51 OD1 ASP A 3 3.096 22.127 -8.993 1.00 0.00 O ATOM 52 OD2 ASP A 3 1.171 22.713 -8.139 1.00 0.00 O ATOM 0 H ASP A 3 2.373 22.960 -10.675 1.00 0.00 H new ATOM 0 HA ASP A 3 3.066 25.648 -10.478 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.345 24.673 -7.859 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.805 25.055 -8.603 1.00 0.00 H new ATOM 57 N PRO A 4 5.398 25.963 -9.312 1.00 0.00 N ATOM 58 CA PRO A 4 6.829 26.170 -9.054 1.00 0.00 C ATOM 59 C PRO A 4 7.451 25.016 -8.235 1.00 0.00 C ATOM 60 O PRO A 4 6.923 23.924 -8.184 1.00 0.00 O ATOM 61 CB PRO A 4 6.901 27.514 -8.260 1.00 0.00 C ATOM 62 CG PRO A 4 5.453 28.122 -8.253 1.00 0.00 C ATOM 63 CD PRO A 4 4.532 27.121 -8.999 1.00 0.00 C ATOM 0 HA PRO A 4 7.396 26.200 -9.984 1.00 0.00 H new ATOM 0 HB2 PRO A 4 7.252 27.342 -7.242 1.00 0.00 H new ATOM 0 HB3 PRO A 4 7.605 28.201 -8.728 1.00 0.00 H new ATOM 0 HG2 PRO A 4 5.106 28.277 -7.232 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.442 29.095 -8.744 1.00 0.00 H new ATOM 0 HD2 PRO A 4 3.686 26.825 -8.378 1.00 0.00 H new ATOM 0 HD3 PRO A 4 4.122 27.564 -9.907 1.00 0.00 H new ATOM 71 N ASN A 5 8.554 25.301 -7.599 1.00 0.00 N ATOM 72 CA ASN A 5 9.229 24.258 -6.787 1.00 0.00 C ATOM 73 C ASN A 5 8.259 23.535 -5.871 1.00 0.00 C ATOM 74 O ASN A 5 8.559 22.455 -5.404 1.00 0.00 O ATOM 75 CB ASN A 5 10.300 24.929 -5.931 1.00 0.00 C ATOM 76 CG ASN A 5 11.430 25.422 -6.835 1.00 0.00 C ATOM 77 OD1 ASN A 5 11.198 26.003 -7.877 1.00 0.00 O ATOM 78 ND2 ASN A 5 12.667 25.206 -6.477 1.00 0.00 N ATOM 0 H ASN A 5 9.014 26.211 -7.608 1.00 0.00 H new ATOM 0 HA ASN A 5 9.661 23.524 -7.467 1.00 0.00 H new ATOM 0 HB2 ASN A 5 9.870 25.764 -5.378 1.00 0.00 H new ATOM 0 HB3 ASN A 5 10.688 24.225 -5.195 1.00 0.00 H new ATOM 0 HD21 ASN A 5 13.433 25.524 -7.071 1.00 0.00 H new ATOM 0 HD22 ASN A 5 12.867 24.719 -5.604 1.00 0.00 H new ATOM 85 N ALA A 6 7.112 24.156 -5.630 1.00 0.00 N ATOM 86 CA ALA A 6 6.058 23.531 -4.727 1.00 0.00 C ATOM 87 C ALA A 6 6.211 21.990 -4.666 1.00 0.00 C ATOM 88 O ALA A 6 5.643 21.279 -5.470 1.00 0.00 O ATOM 89 CB ALA A 6 4.691 23.846 -5.339 1.00 0.00 C ATOM 0 H ALA A 6 6.858 25.065 -6.017 1.00 0.00 H new ATOM 0 HA ALA A 6 6.166 23.931 -3.719 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.906 23.413 -4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.557 24.926 -5.393 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.635 23.423 -6.342 1.00 0.00 H new ATOM 95 N PRO A 7 6.989 21.505 -3.695 1.00 0.00 N ATOM 96 CA PRO A 7 7.232 20.080 -3.522 1.00 0.00 C ATOM 97 C PRO A 7 6.289 19.440 -2.501 1.00 0.00 C ATOM 98 O PRO A 7 5.237 19.957 -2.197 1.00 0.00 O ATOM 99 CB PRO A 7 8.635 20.105 -2.922 1.00 0.00 C ATOM 100 CG PRO A 7 8.627 21.324 -2.002 1.00 0.00 C ATOM 101 CD PRO A 7 7.707 22.332 -2.703 1.00 0.00 C ATOM 0 HA PRO A 7 7.099 19.515 -4.444 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.848 19.190 -2.369 1.00 0.00 H new ATOM 0 HB3 PRO A 7 9.398 20.195 -3.696 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.253 21.070 -1.010 1.00 0.00 H new ATOM 0 HG3 PRO A 7 9.631 21.728 -1.871 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.020 22.805 -2.001 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.275 23.130 -3.181 1.00 0.00 H new ATOM 109 N LYS A 8 6.739 18.322 -1.983 1.00 0.00 N ATOM 110 CA LYS A 8 5.973 17.569 -0.987 1.00 0.00 C ATOM 111 C LYS A 8 6.940 16.722 -0.132 1.00 0.00 C ATOM 112 O LYS A 8 7.946 16.245 -0.620 1.00 0.00 O ATOM 113 CB LYS A 8 5.010 16.624 -1.750 1.00 0.00 C ATOM 114 CG LYS A 8 3.598 17.237 -1.815 1.00 0.00 C ATOM 115 CD LYS A 8 2.869 16.960 -0.500 1.00 0.00 C ATOM 116 CE LYS A 8 1.591 17.799 -0.443 1.00 0.00 C ATOM 117 NZ LYS A 8 0.687 17.289 0.624 1.00 0.00 N ATOM 0 H LYS A 8 7.635 17.902 -2.229 1.00 0.00 H new ATOM 0 HA LYS A 8 5.418 18.246 -0.337 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.385 16.449 -2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.970 15.655 -1.252 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.662 18.311 -1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.042 16.811 -2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.626 15.900 -0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.514 17.202 0.345 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.841 18.842 -0.250 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.083 17.766 -1.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.177 17.867 0.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.436 16.300 0.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.170 17.343 1.543 1.00 0.00 H new ATOM 131 N ARG A 9 6.612 16.560 1.115 1.00 0.00 N ATOM 132 CA ARG A 9 7.475 15.765 2.011 1.00 0.00 C ATOM 133 C ARG A 9 7.278 14.236 1.777 1.00 0.00 C ATOM 134 O ARG A 9 6.207 13.809 1.393 1.00 0.00 O ATOM 135 CB ARG A 9 7.054 16.110 3.453 1.00 0.00 C ATOM 136 CG ARG A 9 7.271 17.615 3.692 1.00 0.00 C ATOM 137 CD ARG A 9 7.415 17.899 5.193 1.00 0.00 C ATOM 138 NE ARG A 9 6.390 17.128 5.956 1.00 0.00 N ATOM 139 CZ ARG A 9 6.149 17.450 7.205 1.00 0.00 C ATOM 140 NH1 ARG A 9 6.815 18.436 7.741 1.00 0.00 N ATOM 141 NH2 ARG A 9 5.254 16.772 7.873 1.00 0.00 N ATOM 0 H ARG A 9 5.776 16.949 1.551 1.00 0.00 H new ATOM 0 HA ARG A 9 8.523 15.997 1.821 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.007 15.851 3.612 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.638 15.528 4.165 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.164 17.949 3.164 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.431 18.180 3.287 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.415 17.624 5.530 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.297 18.966 5.383 1.00 0.00 H new ATOM 0 HE ARG A 9 5.884 16.361 5.513 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.509 18.942 7.190 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.642 18.701 8.711 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.754 16.005 7.423 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.055 17.010 8.845 1.00 0.00 H new ATOM 155 N PRO A 10 8.334 13.430 2.015 1.00 0.00 N ATOM 156 CA PRO A 10 8.243 11.968 1.821 1.00 0.00 C ATOM 157 C PRO A 10 7.187 11.322 2.792 1.00 0.00 C ATOM 158 O PRO A 10 7.236 11.560 3.985 1.00 0.00 O ATOM 159 CB PRO A 10 9.674 11.437 2.185 1.00 0.00 C ATOM 160 CG PRO A 10 10.490 12.650 2.737 1.00 0.00 C ATOM 161 CD PRO A 10 9.657 13.920 2.458 1.00 0.00 C ATOM 0 HA PRO A 10 7.930 11.719 0.807 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.612 10.644 2.930 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.162 11.013 1.307 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.674 12.537 3.805 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.464 12.713 2.251 1.00 0.00 H new ATOM 0 HD2 PRO A 10 9.569 14.537 3.352 1.00 0.00 H new ATOM 0 HD3 PRO A 10 10.125 14.537 1.691 1.00 0.00 H new ATOM 169 N PRO A 11 6.244 10.509 2.264 1.00 0.00 N ATOM 170 CA PRO A 11 5.231 9.868 3.108 1.00 0.00 C ATOM 171 C PRO A 11 5.824 8.599 3.743 1.00 0.00 C ATOM 172 O PRO A 11 7.008 8.533 4.002 1.00 0.00 O ATOM 173 CB PRO A 11 4.111 9.503 2.103 1.00 0.00 C ATOM 174 CG PRO A 11 4.824 9.317 0.746 1.00 0.00 C ATOM 175 CD PRO A 11 6.096 10.200 0.818 1.00 0.00 C ATOM 0 HA PRO A 11 4.875 10.496 3.925 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.595 8.591 2.404 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.360 10.291 2.048 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.082 8.271 0.579 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.181 9.622 -0.080 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.969 9.673 0.432 1.00 0.00 H new ATOM 0 HD3 PRO A 11 5.984 11.108 0.226 1.00 0.00 H new ATOM 183 N SER A 12 4.996 7.625 3.980 1.00 0.00 N ATOM 184 CA SER A 12 5.496 6.351 4.596 1.00 0.00 C ATOM 185 C SER A 12 5.877 5.354 3.508 1.00 0.00 C ATOM 186 O SER A 12 5.496 5.509 2.368 1.00 0.00 O ATOM 187 CB SER A 12 4.378 5.747 5.457 1.00 0.00 C ATOM 188 OG SER A 12 4.855 4.450 5.784 1.00 0.00 O ATOM 0 H SER A 12 3.997 7.647 3.778 1.00 0.00 H new ATOM 0 HA SER A 12 6.374 6.566 5.205 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.198 6.343 6.352 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.436 5.699 4.911 1.00 0.00 H new ATOM 0 HG SER A 12 4.194 3.989 6.342 1.00 0.00 H new ATOM 194 N ALA A 13 6.610 4.339 3.877 1.00 0.00 N ATOM 195 CA ALA A 13 7.016 3.337 2.868 1.00 0.00 C ATOM 196 C ALA A 13 5.824 2.689 2.226 1.00 0.00 C ATOM 197 O ALA A 13 5.679 2.691 1.019 1.00 0.00 O ATOM 198 CB ALA A 13 7.832 2.228 3.559 1.00 0.00 C ATOM 0 H ALA A 13 6.940 4.166 4.827 1.00 0.00 H new ATOM 0 HA ALA A 13 7.601 3.851 2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.135 1.485 2.821 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.718 2.663 4.021 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.221 1.750 4.325 1.00 0.00 H new ATOM 204 N PHE A 14 4.989 2.151 3.041 1.00 0.00 N ATOM 205 CA PHE A 14 3.787 1.482 2.517 1.00 0.00 C ATOM 206 C PHE A 14 2.759 2.482 1.939 1.00 0.00 C ATOM 207 O PHE A 14 1.719 2.088 1.457 1.00 0.00 O ATOM 208 CB PHE A 14 3.204 0.595 3.674 1.00 0.00 C ATOM 209 CG PHE A 14 1.770 0.948 4.042 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.445 2.227 4.407 1.00 0.00 C ATOM 211 CD2 PHE A 14 0.790 -0.030 4.039 1.00 0.00 C ATOM 212 CE1 PHE A 14 0.156 2.539 4.768 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.493 0.278 4.398 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.812 1.565 4.763 1.00 0.00 C ATOM 0 H PHE A 14 5.085 2.144 4.056 1.00 0.00 H new ATOM 0 HA PHE A 14 4.046 0.849 1.668 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.247 -0.453 3.376 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.835 0.702 4.557 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.205 2.994 4.411 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.040 -1.041 3.752 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.095 3.549 5.055 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.254 -0.488 4.395 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.825 1.810 5.046 1.00 0.00 H new ATOM 224 N PHE A 15 3.022 3.755 2.044 1.00 0.00 N ATOM 225 CA PHE A 15 2.039 4.712 1.478 1.00 0.00 C ATOM 226 C PHE A 15 2.255 4.689 0.004 1.00 0.00 C ATOM 227 O PHE A 15 1.337 4.781 -0.787 1.00 0.00 O ATOM 228 CB PHE A 15 2.309 6.129 1.984 1.00 0.00 C ATOM 229 CG PHE A 15 1.327 7.080 1.296 1.00 0.00 C ATOM 230 CD1 PHE A 15 0.005 7.139 1.704 1.00 0.00 C ATOM 231 CD2 PHE A 15 1.739 7.865 0.239 1.00 0.00 C ATOM 232 CE1 PHE A 15 -0.887 7.971 1.059 1.00 0.00 C ATOM 233 CE2 PHE A 15 0.845 8.697 -0.403 1.00 0.00 C ATOM 234 CZ PHE A 15 -0.466 8.749 0.006 1.00 0.00 C ATOM 0 H PHE A 15 3.848 4.162 2.483 1.00 0.00 H new ATOM 0 HA PHE A 15 1.024 4.437 1.764 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.187 6.175 3.066 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.336 6.421 1.766 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.330 6.531 2.531 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.768 7.828 -0.088 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.917 8.011 1.381 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.176 9.309 -1.229 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.165 9.400 -0.499 1.00 0.00 H new ATOM 244 N LEU A 16 3.497 4.563 -0.330 1.00 0.00 N ATOM 245 CA LEU A 16 3.880 4.516 -1.729 1.00 0.00 C ATOM 246 C LEU A 16 3.316 3.250 -2.316 1.00 0.00 C ATOM 247 O LEU A 16 3.101 3.136 -3.506 1.00 0.00 O ATOM 248 CB LEU A 16 5.408 4.442 -1.788 1.00 0.00 C ATOM 249 CG LEU A 16 6.016 5.575 -0.959 1.00 0.00 C ATOM 250 CD1 LEU A 16 7.528 5.362 -0.873 1.00 0.00 C ATOM 251 CD2 LEU A 16 5.717 6.920 -1.623 1.00 0.00 C ATOM 0 H LEU A 16 4.270 4.490 0.331 1.00 0.00 H new ATOM 0 HA LEU A 16 3.515 5.387 -2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.749 3.479 -1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.745 4.515 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 16 5.585 5.576 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.975 6.163 -0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.734 4.403 -0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.954 5.368 -1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.152 7.724 -1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.147 6.935 -2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.638 7.061 -1.690 1.00 0.00 H new ATOM 263 N PHE A 17 3.083 2.312 -1.439 1.00 0.00 N ATOM 264 CA PHE A 17 2.532 1.023 -1.861 1.00 0.00 C ATOM 265 C PHE A 17 1.043 1.176 -2.077 1.00 0.00 C ATOM 266 O PHE A 17 0.475 0.598 -2.965 1.00 0.00 O ATOM 267 CB PHE A 17 2.816 0.045 -0.732 1.00 0.00 C ATOM 268 CG PHE A 17 2.087 -1.252 -0.934 1.00 0.00 C ATOM 269 CD1 PHE A 17 0.824 -1.420 -0.404 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.713 -2.313 -1.547 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.201 -2.637 -0.479 1.00 0.00 C ATOM 272 CE2 PHE A 17 2.084 -3.532 -1.624 1.00 0.00 C ATOM 273 CZ PHE A 17 0.828 -3.690 -1.085 1.00 0.00 C ATOM 0 H PHE A 17 3.258 2.399 -0.438 1.00 0.00 H new ATOM 0 HA PHE A 17 2.974 0.668 -2.792 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.888 -0.144 -0.673 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.518 0.488 0.218 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.325 -0.589 0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.700 -2.187 -1.968 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.786 -2.765 -0.059 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.574 -4.364 -2.107 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.335 -4.650 -1.141 1.00 0.00 H new ATOM 283 N CYS A 18 0.428 1.953 -1.237 1.00 0.00 N ATOM 284 CA CYS A 18 -1.020 2.162 -1.382 1.00 0.00 C ATOM 285 C CYS A 18 -1.343 2.534 -2.829 1.00 0.00 C ATOM 286 O CYS A 18 -2.042 1.819 -3.517 1.00 0.00 O ATOM 287 CB CYS A 18 -1.426 3.333 -0.456 1.00 0.00 C ATOM 288 SG CYS A 18 -3.193 3.696 -0.279 1.00 0.00 S ATOM 0 H CYS A 18 0.869 2.448 -0.462 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.561 1.253 -1.118 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.025 3.130 0.537 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.934 4.235 -0.820 1.00 0.00 H new ATOM 0 HG CYS A 18 -3.351 4.700 0.531 1.00 0.00 H new ATOM 294 N SER A 19 -0.779 3.630 -3.270 1.00 0.00 N ATOM 295 CA SER A 19 -1.023 4.091 -4.664 1.00 0.00 C ATOM 296 C SER A 19 -1.015 2.924 -5.641 1.00 0.00 C ATOM 297 O SER A 19 -1.646 2.974 -6.680 1.00 0.00 O ATOM 298 CB SER A 19 0.103 5.068 -5.050 1.00 0.00 C ATOM 299 OG SER A 19 -0.028 5.213 -6.456 1.00 0.00 O ATOM 0 H SER A 19 -0.159 4.225 -2.720 1.00 0.00 H new ATOM 0 HA SER A 19 -2.001 4.571 -4.712 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.007 6.025 -4.539 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.083 4.673 -4.780 1.00 0.00 H new ATOM 0 HG SER A 19 0.659 5.828 -6.787 1.00 0.00 H new ATOM 305 N GLU A 20 -0.294 1.891 -5.293 1.00 0.00 N ATOM 306 CA GLU A 20 -0.227 0.706 -6.184 1.00 0.00 C ATOM 307 C GLU A 20 -1.386 -0.256 -5.896 1.00 0.00 C ATOM 308 O GLU A 20 -2.099 -0.648 -6.797 1.00 0.00 O ATOM 309 CB GLU A 20 1.128 -0.013 -5.946 1.00 0.00 C ATOM 310 CG GLU A 20 1.166 -1.331 -6.716 1.00 0.00 C ATOM 311 CD GLU A 20 0.843 -1.074 -8.189 1.00 0.00 C ATOM 312 OE1 GLU A 20 1.487 -0.195 -8.738 1.00 0.00 O ATOM 313 OE2 GLU A 20 -0.028 -1.770 -8.682 1.00 0.00 O ATOM 0 H GLU A 20 0.248 1.821 -4.432 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.306 1.028 -7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.950 0.628 -6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.267 -0.201 -4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.151 -1.789 -6.624 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.447 -2.032 -6.292 1.00 0.00 H new ATOM 320 N TYR A 21 -1.543 -0.639 -4.640 1.00 0.00 N ATOM 321 CA TYR A 21 -2.653 -1.575 -4.277 1.00 0.00 C ATOM 322 C TYR A 21 -3.908 -0.851 -3.794 1.00 0.00 C ATOM 323 O TYR A 21 -4.775 -1.461 -3.200 1.00 0.00 O ATOM 324 CB TYR A 21 -2.148 -2.482 -3.140 1.00 0.00 C ATOM 325 CG TYR A 21 -1.313 -3.609 -3.718 1.00 0.00 C ATOM 326 CD1 TYR A 21 0.024 -3.422 -3.963 1.00 0.00 C ATOM 327 CD2 TYR A 21 -1.884 -4.837 -3.976 1.00 0.00 C ATOM 328 CE1 TYR A 21 0.796 -4.454 -4.462 1.00 0.00 C ATOM 329 CE2 TYR A 21 -1.117 -5.872 -4.475 1.00 0.00 C ATOM 330 CZ TYR A 21 0.231 -5.689 -4.721 1.00 0.00 C ATOM 331 OH TYR A 21 1.001 -6.722 -5.216 1.00 0.00 O ATOM 0 H TYR A 21 -0.953 -0.343 -3.863 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.926 -2.136 -5.171 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.554 -1.901 -2.435 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.993 -2.890 -2.585 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.476 -2.462 -3.765 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.936 -4.991 -3.787 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.847 -4.295 -4.651 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.573 -6.830 -4.674 1.00 0.00 H new ATOM 0 HH TYR A 21 0.442 -7.518 -5.338 1.00 0.00 H new ATOM 341 N ARG A 22 -3.994 0.418 -4.050 1.00 0.00 N ATOM 342 CA ARG A 22 -5.208 1.169 -3.596 1.00 0.00 C ATOM 343 C ARG A 22 -6.340 1.165 -4.650 1.00 0.00 C ATOM 344 O ARG A 22 -7.488 1.077 -4.286 1.00 0.00 O ATOM 345 CB ARG A 22 -4.848 2.645 -3.263 1.00 0.00 C ATOM 346 CG ARG A 22 -6.012 3.278 -2.472 1.00 0.00 C ATOM 347 CD ARG A 22 -5.928 4.804 -2.566 1.00 0.00 C ATOM 348 NE ARG A 22 -4.518 5.226 -2.355 1.00 0.00 N ATOM 349 CZ ARG A 22 -4.246 6.492 -2.186 1.00 0.00 C ATOM 350 NH1 ARG A 22 -5.225 7.356 -2.209 1.00 0.00 N ATOM 351 NH2 ARG A 22 -3.008 6.848 -1.989 1.00 0.00 N ATOM 0 H ARG A 22 -3.293 0.969 -4.546 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.567 0.654 -2.705 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.929 2.686 -2.678 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.667 3.205 -4.181 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.966 2.931 -2.869 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.969 2.965 -1.429 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.280 5.141 -3.541 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.574 5.263 -1.818 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.770 4.533 -2.342 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.183 7.038 -2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.032 8.349 -2.079 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.272 6.143 -1.969 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.775 7.832 -1.855 1.00 0.00 H new ATOM 365 N PRO A 23 -6.007 1.229 -5.946 1.00 0.00 N ATOM 366 CA PRO A 23 -7.042 1.233 -6.979 1.00 0.00 C ATOM 367 C PRO A 23 -7.644 -0.158 -7.132 1.00 0.00 C ATOM 368 O PRO A 23 -8.810 -0.306 -7.435 1.00 0.00 O ATOM 369 CB PRO A 23 -6.294 1.646 -8.287 1.00 0.00 C ATOM 370 CG PRO A 23 -4.761 1.603 -7.963 1.00 0.00 C ATOM 371 CD PRO A 23 -4.626 1.249 -6.457 1.00 0.00 C ATOM 0 HA PRO A 23 -7.863 1.909 -6.739 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.536 0.965 -9.103 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.594 2.644 -8.606 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.257 0.860 -8.581 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.294 2.565 -8.177 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.140 0.283 -6.320 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.021 1.987 -5.931 1.00 0.00 H new ATOM 379 N LYS A 24 -6.829 -1.148 -6.915 1.00 0.00 N ATOM 380 CA LYS A 24 -7.312 -2.519 -7.038 1.00 0.00 C ATOM 381 C LYS A 24 -8.468 -2.750 -6.088 1.00 0.00 C ATOM 382 O LYS A 24 -9.531 -3.179 -6.489 1.00 0.00 O ATOM 383 CB LYS A 24 -6.151 -3.452 -6.670 1.00 0.00 C ATOM 384 CG LYS A 24 -4.869 -2.995 -7.392 1.00 0.00 C ATOM 385 CD LYS A 24 -5.163 -2.761 -8.881 1.00 0.00 C ATOM 386 CE LYS A 24 -3.845 -2.678 -9.648 1.00 0.00 C ATOM 387 NZ LYS A 24 -4.081 -2.174 -11.030 1.00 0.00 N ATOM 0 H LYS A 24 -5.847 -1.052 -6.657 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.658 -2.710 -8.054 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.994 -3.446 -5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.392 -4.477 -6.951 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.493 -2.078 -6.938 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.090 -3.749 -7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.776 -3.572 -9.274 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.731 -1.840 -9.011 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.154 -2.017 -9.126 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.377 -3.662 -9.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.176 -2.123 -11.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.724 -2.820 -11.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.508 -1.227 -10.986 1.00 0.00 H new ATOM 401 N ILE A 25 -8.240 -2.461 -4.839 1.00 0.00 N ATOM 402 CA ILE A 25 -9.308 -2.653 -3.840 1.00 0.00 C ATOM 403 C ILE A 25 -10.314 -1.493 -3.927 1.00 0.00 C ATOM 404 O ILE A 25 -11.498 -1.711 -4.098 1.00 0.00 O ATOM 405 CB ILE A 25 -8.664 -2.705 -2.404 1.00 0.00 C ATOM 406 CG1 ILE A 25 -7.193 -2.266 -2.458 1.00 0.00 C ATOM 407 CG2 ILE A 25 -8.710 -4.165 -1.872 1.00 0.00 C ATOM 408 CD1 ILE A 25 -6.637 -2.140 -1.033 1.00 0.00 C ATOM 0 H ILE A 25 -7.359 -2.101 -4.473 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.834 -3.588 -4.035 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.224 -2.036 -1.751 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.608 -2.991 -3.024 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.107 -1.312 -2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.265 -4.204 -0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.746 -4.501 -1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.152 -4.815 -2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.593 -1.828 -1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.215 -1.398 -0.481 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.708 -3.104 -0.528 1.00 0.00 H new ATOM 420 N LYS A 26 -9.825 -0.279 -3.807 1.00 0.00 N ATOM 421 CA LYS A 26 -10.747 0.874 -3.885 1.00 0.00 C ATOM 422 C LYS A 26 -11.529 0.810 -5.188 1.00 0.00 C ATOM 423 O LYS A 26 -12.596 1.375 -5.310 1.00 0.00 O ATOM 424 CB LYS A 26 -9.920 2.187 -3.840 1.00 0.00 C ATOM 425 CG LYS A 26 -10.864 3.400 -3.668 1.00 0.00 C ATOM 426 CD LYS A 26 -11.266 3.551 -2.192 1.00 0.00 C ATOM 427 CE LYS A 26 -11.979 4.892 -2.004 1.00 0.00 C ATOM 428 NZ LYS A 26 -12.966 5.118 -3.097 1.00 0.00 N ATOM 0 H LYS A 26 -8.842 -0.050 -3.661 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.442 0.848 -3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.208 2.150 -3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.341 2.293 -4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.369 4.308 -4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.754 3.269 -4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.921 2.732 -1.894 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.383 3.501 -1.554 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.486 4.908 -1.039 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.248 5.701 -1.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.778 5.652 -2.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.517 5.658 -3.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.293 4.202 -3.464 1.00 0.00 H new ATOM 442 N GLY A 27 -10.988 0.098 -6.139 1.00 0.00 N ATOM 443 CA GLY A 27 -11.683 -0.017 -7.437 1.00 0.00 C ATOM 444 C GLY A 27 -13.022 -0.705 -7.224 1.00 0.00 C ATOM 445 O GLY A 27 -14.066 -0.141 -7.476 1.00 0.00 O ATOM 0 H GLY A 27 -10.102 -0.402 -6.068 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.833 0.971 -7.872 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.075 -0.586 -8.140 1.00 0.00 H new ATOM 449 N GLU A 28 -12.954 -1.918 -6.760 1.00 0.00 N ATOM 450 CA GLU A 28 -14.185 -2.673 -6.514 1.00 0.00 C ATOM 451 C GLU A 28 -14.893 -2.112 -5.286 1.00 0.00 C ATOM 452 O GLU A 28 -15.974 -2.539 -4.927 1.00 0.00 O ATOM 453 CB GLU A 28 -13.794 -4.140 -6.256 1.00 0.00 C ATOM 454 CG GLU A 28 -13.588 -4.852 -7.597 1.00 0.00 C ATOM 455 CD GLU A 28 -12.959 -6.228 -7.354 1.00 0.00 C ATOM 456 OE1 GLU A 28 -12.298 -6.351 -6.337 1.00 0.00 O ATOM 457 OE2 GLU A 28 -13.175 -7.078 -8.203 1.00 0.00 O ATOM 0 H GLU A 28 -12.089 -2.412 -6.543 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.855 -2.599 -7.371 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.881 -4.186 -5.663 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.573 -4.640 -5.681 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.542 -4.962 -8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.944 -4.255 -8.243 1.00 0.00 H new ATOM 464 N HIS A 29 -14.251 -1.150 -4.661 1.00 0.00 N ATOM 465 CA HIS A 29 -14.828 -0.513 -3.448 1.00 0.00 C ATOM 466 C HIS A 29 -14.697 1.014 -3.543 1.00 0.00 C ATOM 467 O HIS A 29 -13.887 1.606 -2.858 1.00 0.00 O ATOM 468 CB HIS A 29 -14.001 -0.975 -2.245 1.00 0.00 C ATOM 469 CG HIS A 29 -14.267 -2.452 -1.957 1.00 0.00 C ATOM 470 ND1 HIS A 29 -15.048 -2.877 -1.084 1.00 0.00 N ATOM 471 CD2 HIS A 29 -13.718 -3.579 -2.541 1.00 0.00 C ATOM 472 CE1 HIS A 29 -15.055 -4.142 -1.043 1.00 0.00 C ATOM 473 NE2 HIS A 29 -14.233 -4.687 -1.939 1.00 0.00 N ATOM 0 H HIS A 29 -13.344 -0.781 -4.948 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.879 -0.787 -3.352 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.940 -0.821 -2.443 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -14.252 -0.375 -1.370 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.997 -3.580 -3.345 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -15.660 -4.716 -0.357 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -14.041 -5.671 -2.125 1.00 0.00 H new ATOM 481 N PRO A 30 -15.495 1.631 -4.404 1.00 0.00 N ATOM 482 CA PRO A 30 -15.444 3.080 -4.570 1.00 0.00 C ATOM 483 C PRO A 30 -15.991 3.798 -3.320 1.00 0.00 C ATOM 484 O PRO A 30 -17.053 4.390 -3.350 1.00 0.00 O ATOM 485 CB PRO A 30 -16.336 3.367 -5.826 1.00 0.00 C ATOM 486 CG PRO A 30 -17.039 2.019 -6.205 1.00 0.00 C ATOM 487 CD PRO A 30 -16.470 0.928 -5.261 1.00 0.00 C ATOM 0 HA PRO A 30 -14.425 3.445 -4.701 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -17.074 4.139 -5.607 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -15.729 3.732 -6.655 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.120 2.102 -6.090 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.848 1.764 -7.247 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.260 0.471 -4.666 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.993 0.127 -5.826 1.00 0.00 H new ATOM 495 N GLY A 31 -15.255 3.723 -2.235 1.00 0.00 N ATOM 496 CA GLY A 31 -15.731 4.401 -0.990 1.00 0.00 C ATOM 497 C GLY A 31 -15.107 3.786 0.271 1.00 0.00 C ATOM 498 O GLY A 31 -15.704 3.819 1.329 1.00 0.00 O ATOM 0 H GLY A 31 -14.364 3.232 -2.159 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -15.484 5.462 -1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -16.817 4.329 -0.930 1.00 0.00 H new ATOM 502 N LEU A 32 -13.929 3.237 0.146 1.00 0.00 N ATOM 503 CA LEU A 32 -13.300 2.636 1.354 1.00 0.00 C ATOM 504 C LEU A 32 -13.041 3.709 2.393 1.00 0.00 C ATOM 505 O LEU A 32 -12.941 4.878 2.081 1.00 0.00 O ATOM 506 CB LEU A 32 -11.895 2.056 0.993 1.00 0.00 C ATOM 507 CG LEU A 32 -11.957 0.686 0.297 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.511 0.152 0.204 1.00 0.00 C ATOM 509 CD2 LEU A 32 -12.790 -0.308 1.129 1.00 0.00 C ATOM 0 H LEU A 32 -13.388 3.179 -0.717 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.975 1.865 1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.376 2.761 0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.303 1.965 1.904 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.417 0.791 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.514 -0.822 -0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.903 0.847 -0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.095 0.053 1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.822 -1.271 0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.334 -0.432 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.804 0.075 1.245 1.00 0.00 H new ATOM 521 N SER A 33 -12.938 3.283 3.616 1.00 0.00 N ATOM 522 CA SER A 33 -12.678 4.233 4.700 1.00 0.00 C ATOM 523 C SER A 33 -11.179 4.312 4.875 1.00 0.00 C ATOM 524 O SER A 33 -10.498 3.314 4.742 1.00 0.00 O ATOM 525 CB SER A 33 -13.306 3.700 5.991 1.00 0.00 C ATOM 526 OG SER A 33 -12.660 2.455 6.202 1.00 0.00 O ATOM 0 H SER A 33 -13.025 2.308 3.903 1.00 0.00 H new ATOM 0 HA SER A 33 -13.098 5.213 4.473 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.141 4.381 6.826 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.384 3.577 5.889 1.00 0.00 H new ATOM 0 HG SER A 33 -13.332 1.762 6.368 1.00 0.00 H new ATOM 532 N ILE A 34 -10.672 5.471 5.154 1.00 0.00 N ATOM 533 CA ILE A 34 -9.200 5.585 5.331 1.00 0.00 C ATOM 534 C ILE A 34 -8.669 4.446 6.190 1.00 0.00 C ATOM 535 O ILE A 34 -7.540 4.024 6.041 1.00 0.00 O ATOM 536 CB ILE A 34 -8.897 6.922 6.004 1.00 0.00 C ATOM 537 CG1 ILE A 34 -9.563 8.051 5.212 1.00 0.00 C ATOM 538 CG2 ILE A 34 -7.368 7.150 6.000 1.00 0.00 C ATOM 539 CD1 ILE A 34 -9.182 9.407 5.820 1.00 0.00 C ATOM 0 H ILE A 34 -11.201 6.336 5.267 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.713 5.529 4.357 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.276 6.912 7.026 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.250 8.009 4.169 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.646 7.927 5.225 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.141 8.103 6.479 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.878 6.344 6.546 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.005 7.165 4.972 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.658 10.207 5.253 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.517 9.448 6.856 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.100 9.531 5.783 1.00 0.00 H new ATOM 551 N GLY A 35 -9.492 3.970 7.069 1.00 0.00 N ATOM 552 CA GLY A 35 -9.049 2.857 7.940 1.00 0.00 C ATOM 553 C GLY A 35 -8.947 1.577 7.108 1.00 0.00 C ATOM 554 O GLY A 35 -7.960 0.880 7.158 1.00 0.00 O ATOM 0 H GLY A 35 -10.445 4.299 7.223 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.083 3.092 8.388 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.755 2.717 8.759 1.00 0.00 H new ATOM 558 N ASP A 36 -9.972 1.313 6.334 1.00 0.00 N ATOM 559 CA ASP A 36 -9.967 0.091 5.488 1.00 0.00 C ATOM 560 C ASP A 36 -8.855 0.124 4.473 1.00 0.00 C ATOM 561 O ASP A 36 -8.140 -0.840 4.288 1.00 0.00 O ATOM 562 CB ASP A 36 -11.299 0.033 4.718 1.00 0.00 C ATOM 563 CG ASP A 36 -11.544 -1.398 4.226 1.00 0.00 C ATOM 564 OD1 ASP A 36 -10.586 -1.972 3.731 1.00 0.00 O ATOM 565 OD2 ASP A 36 -12.673 -1.834 4.372 1.00 0.00 O ATOM 0 H ASP A 36 -10.807 1.893 6.255 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.827 -0.774 6.137 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.118 0.352 5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.272 0.720 3.872 1.00 0.00 H new ATOM 570 N VAL A 37 -8.732 1.233 3.836 1.00 0.00 N ATOM 571 CA VAL A 37 -7.683 1.371 2.825 1.00 0.00 C ATOM 572 C VAL A 37 -6.349 0.984 3.393 1.00 0.00 C ATOM 573 O VAL A 37 -5.729 0.045 2.959 1.00 0.00 O ATOM 574 CB VAL A 37 -7.620 2.860 2.408 1.00 0.00 C ATOM 575 CG1 VAL A 37 -6.455 3.061 1.446 1.00 0.00 C ATOM 576 CG2 VAL A 37 -8.926 3.259 1.729 1.00 0.00 C ATOM 0 H VAL A 37 -9.318 2.056 3.974 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.909 0.724 1.977 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.475 3.482 3.291 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.405 4.108 1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.524 2.779 1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.601 2.439 0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.878 4.308 1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.079 2.642 0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -9.755 3.113 2.421 1.00 0.00 H new ATOM 586 N ALA A 38 -5.959 1.695 4.372 1.00 0.00 N ATOM 587 CA ALA A 38 -4.674 1.418 5.001 1.00 0.00 C ATOM 588 C ALA A 38 -4.613 0.043 5.685 1.00 0.00 C ATOM 589 O ALA A 38 -3.555 -0.549 5.760 1.00 0.00 O ATOM 590 CB ALA A 38 -4.430 2.519 6.021 1.00 0.00 C ATOM 0 H ALA A 38 -6.483 2.472 4.774 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.905 1.396 4.229 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.474 2.350 6.517 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.411 3.485 5.516 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.230 2.513 6.762 1.00 0.00 H new ATOM 596 N LYS A 39 -5.727 -0.450 6.171 1.00 0.00 N ATOM 597 CA LYS A 39 -5.678 -1.781 6.835 1.00 0.00 C ATOM 598 C LYS A 39 -5.327 -2.874 5.826 1.00 0.00 C ATOM 599 O LYS A 39 -4.279 -3.483 5.908 1.00 0.00 O ATOM 600 CB LYS A 39 -7.076 -2.082 7.486 1.00 0.00 C ATOM 601 CG LYS A 39 -7.000 -1.864 9.016 1.00 0.00 C ATOM 602 CD LYS A 39 -6.814 -0.356 9.327 1.00 0.00 C ATOM 603 CE LYS A 39 -6.102 -0.182 10.687 1.00 0.00 C ATOM 604 NZ LYS A 39 -6.496 1.109 11.318 1.00 0.00 N ATOM 0 H LYS A 39 -6.642 -0.000 6.137 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.907 -1.767 7.605 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.836 -1.431 7.054 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.375 -3.108 7.270 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.910 -2.232 9.490 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.170 -2.435 9.432 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.230 0.117 8.538 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.783 0.142 9.348 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.359 -1.010 11.348 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.022 -0.210 10.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.009 1.212 12.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.229 1.896 10.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.525 1.121 11.471 1.00 0.00 H new ATOM 618 N LYS A 40 -6.205 -3.099 4.901 1.00 0.00 N ATOM 619 CA LYS A 40 -5.939 -4.143 3.883 1.00 0.00 C ATOM 620 C LYS A 40 -4.564 -3.947 3.286 1.00 0.00 C ATOM 621 O LYS A 40 -3.831 -4.890 3.075 1.00 0.00 O ATOM 622 CB LYS A 40 -6.990 -4.020 2.771 1.00 0.00 C ATOM 623 CG LYS A 40 -8.328 -4.577 3.285 1.00 0.00 C ATOM 624 CD LYS A 40 -9.412 -4.484 2.168 1.00 0.00 C ATOM 625 CE LYS A 40 -9.484 -5.810 1.390 1.00 0.00 C ATOM 626 NZ LYS A 40 -8.120 -6.281 1.020 1.00 0.00 N ATOM 0 H LYS A 40 -7.094 -2.608 4.804 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.988 -5.127 4.349 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.105 -2.977 2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.668 -4.569 1.886 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.203 -5.614 3.596 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.651 -4.017 4.163 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.383 -4.259 2.610 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.175 -3.666 1.487 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.983 -6.566 1.997 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.084 -5.677 0.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.196 -7.110 0.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.613 -5.520 0.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.598 -6.542 1.881 1.00 0.00 H new ATOM 640 N LEU A 41 -4.239 -2.731 3.009 1.00 0.00 N ATOM 641 CA LEU A 41 -2.916 -2.469 2.432 1.00 0.00 C ATOM 642 C LEU A 41 -1.864 -2.844 3.429 1.00 0.00 C ATOM 643 O LEU A 41 -0.794 -3.301 3.080 1.00 0.00 O ATOM 644 CB LEU A 41 -2.780 -0.972 2.146 1.00 0.00 C ATOM 645 CG LEU A 41 -3.688 -0.555 0.994 1.00 0.00 C ATOM 646 CD1 LEU A 41 -3.706 0.960 0.960 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.133 -1.086 -0.346 1.00 0.00 C ATOM 0 H LEU A 41 -4.829 -1.912 3.157 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.800 -3.046 1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.034 -0.402 3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.744 -0.737 1.902 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.689 -0.961 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.347 1.298 0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.090 1.341 1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.694 1.332 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.792 -0.781 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.136 -0.679 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.079 -2.174 -0.312 1.00 0.00 H new ATOM 659 N GLY A 42 -2.185 -2.634 4.661 1.00 0.00 N ATOM 660 CA GLY A 42 -1.230 -2.964 5.714 1.00 0.00 C ATOM 661 C GLY A 42 -1.021 -4.478 5.747 1.00 0.00 C ATOM 662 O GLY A 42 0.042 -4.960 6.081 1.00 0.00 O ATOM 0 H GLY A 42 -3.073 -2.246 4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.282 -2.458 5.533 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.599 -2.615 6.678 1.00 0.00 H new ATOM 666 N GLU A 43 -2.064 -5.199 5.389 1.00 0.00 N ATOM 667 CA GLU A 43 -1.977 -6.668 5.382 1.00 0.00 C ATOM 668 C GLU A 43 -1.165 -7.138 4.175 1.00 0.00 C ATOM 669 O GLU A 43 -0.206 -7.869 4.319 1.00 0.00 O ATOM 670 CB GLU A 43 -3.417 -7.226 5.285 1.00 0.00 C ATOM 671 CG GLU A 43 -4.045 -7.262 6.687 1.00 0.00 C ATOM 672 CD GLU A 43 -3.458 -8.436 7.476 1.00 0.00 C ATOM 673 OE1 GLU A 43 -2.428 -8.215 8.089 1.00 0.00 O ATOM 674 OE2 GLU A 43 -4.075 -9.488 7.421 1.00 0.00 O ATOM 0 H GLU A 43 -2.965 -4.816 5.104 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.486 -7.021 6.289 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.017 -6.603 4.622 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.403 -8.227 4.855 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.851 -6.325 7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.127 -7.366 6.610 1.00 0.00 H new ATOM 681 N MET A 44 -1.569 -6.711 3.005 1.00 0.00 N ATOM 682 CA MET A 44 -0.826 -7.126 1.794 1.00 0.00 C ATOM 683 C MET A 44 0.621 -6.689 1.912 1.00 0.00 C ATOM 684 O MET A 44 1.530 -7.455 1.666 1.00 0.00 O ATOM 685 CB MET A 44 -1.477 -6.456 0.562 1.00 0.00 C ATOM 686 CG MET A 44 -2.718 -7.255 0.170 1.00 0.00 C ATOM 687 SD MET A 44 -3.751 -6.602 -1.168 1.00 0.00 S ATOM 688 CE MET A 44 -4.461 -5.185 -0.280 1.00 0.00 C ATOM 0 H MET A 44 -2.371 -6.101 2.844 1.00 0.00 H new ATOM 0 HA MET A 44 -0.860 -8.210 1.687 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.748 -5.425 0.791 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.771 -6.423 -0.268 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.396 -8.257 -0.113 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.344 -7.360 1.056 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.276 -4.760 -0.866 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.842 -5.515 0.686 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.691 -4.429 -0.127 1.00 0.00 H new ATOM 698 N TRP A 45 0.806 -5.460 2.284 1.00 0.00 N ATOM 699 CA TRP A 45 2.180 -4.945 2.431 1.00 0.00 C ATOM 700 C TRP A 45 2.954 -5.859 3.343 1.00 0.00 C ATOM 701 O TRP A 45 3.967 -6.414 2.971 1.00 0.00 O ATOM 702 CB TRP A 45 2.069 -3.565 3.076 1.00 0.00 C ATOM 703 CG TRP A 45 3.436 -3.039 3.523 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.768 -2.854 4.789 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.354 -2.545 2.722 1.00 0.00 C ATOM 706 NE1 TRP A 45 4.932 -2.207 4.726 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.377 -1.963 3.447 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.378 -2.487 1.349 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.407 -1.328 2.798 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.411 -1.851 0.700 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.422 -1.267 1.426 1.00 0.00 C ATOM 0 H TRP A 45 0.063 -4.793 2.492 1.00 0.00 H new ATOM 0 HA TRP A 45 2.688 -4.890 1.468 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.624 -2.867 2.367 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.400 -3.617 3.935 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.223 -3.157 5.671 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.449 -1.917 5.556 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.583 -2.942 0.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.206 -0.876 3.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.428 -1.811 -0.379 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.228 -0.760 0.917 1.00 0.00 H new ATOM 722 N ASN A 46 2.459 -5.994 4.527 1.00 0.00 N ATOM 723 CA ASN A 46 3.136 -6.869 5.504 1.00 0.00 C ATOM 724 C ASN A 46 3.405 -8.236 4.879 1.00 0.00 C ATOM 725 O ASN A 46 4.459 -8.812 5.060 1.00 0.00 O ATOM 726 CB ASN A 46 2.206 -7.056 6.722 1.00 0.00 C ATOM 727 CG ASN A 46 2.346 -5.859 7.662 1.00 0.00 C ATOM 728 OD1 ASN A 46 2.844 -4.816 7.289 1.00 0.00 O ATOM 729 ND2 ASN A 46 1.920 -5.969 8.889 1.00 0.00 N ATOM 0 H ASN A 46 1.612 -5.536 4.863 1.00 0.00 H new ATOM 0 HA ASN A 46 4.081 -6.417 5.805 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.172 -7.153 6.391 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.460 -7.976 7.248 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.006 -5.181 9.531 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.501 -6.843 9.207 1.00 0.00 H new ATOM 736 N ASN A 47 2.435 -8.729 4.151 1.00 0.00 N ATOM 737 CA ASN A 47 2.608 -10.048 3.506 1.00 0.00 C ATOM 738 C ASN A 47 3.685 -9.980 2.433 1.00 0.00 C ATOM 739 O ASN A 47 4.389 -10.940 2.191 1.00 0.00 O ATOM 740 CB ASN A 47 1.280 -10.455 2.843 1.00 0.00 C ATOM 741 CG ASN A 47 0.216 -10.687 3.919 1.00 0.00 C ATOM 742 OD1 ASN A 47 0.516 -11.040 5.042 1.00 0.00 O ATOM 743 ND2 ASN A 47 -1.042 -10.501 3.614 1.00 0.00 N ATOM 0 H ASN A 47 1.539 -8.272 3.981 1.00 0.00 H new ATOM 0 HA ASN A 47 2.902 -10.775 4.263 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.952 -9.676 2.155 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.419 -11.362 2.254 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.765 -10.652 4.317 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.300 -10.205 2.673 1.00 0.00 H new ATOM 750 N THR A 48 3.787 -8.841 1.804 1.00 0.00 N ATOM 751 CA THR A 48 4.803 -8.678 0.745 1.00 0.00 C ATOM 752 C THR A 48 6.186 -9.051 1.275 1.00 0.00 C ATOM 753 O THR A 48 6.556 -8.666 2.365 1.00 0.00 O ATOM 754 CB THR A 48 4.802 -7.201 0.328 1.00 0.00 C ATOM 755 OG1 THR A 48 3.438 -6.841 0.250 1.00 0.00 O ATOM 756 CG2 THR A 48 5.329 -7.024 -1.104 1.00 0.00 C ATOM 0 H THR A 48 3.208 -8.021 1.983 1.00 0.00 H new ATOM 0 HA THR A 48 4.572 -9.326 -0.100 1.00 0.00 H new ATOM 0 HB THR A 48 5.408 -6.623 1.026 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.883 -7.602 0.521 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.315 -5.967 -1.369 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.350 -7.400 -1.165 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.696 -7.579 -1.796 1.00 0.00 H new ATOM 764 N ALA A 49 6.925 -9.797 0.498 1.00 0.00 N ATOM 765 CA ALA A 49 8.278 -10.196 0.950 1.00 0.00 C ATOM 766 C ALA A 49 9.141 -8.970 1.236 1.00 0.00 C ATOM 767 O ALA A 49 8.837 -7.883 0.794 1.00 0.00 O ATOM 768 CB ALA A 49 8.941 -11.027 -0.164 1.00 0.00 C ATOM 0 H ALA A 49 6.649 -10.142 -0.421 1.00 0.00 H new ATOM 0 HA ALA A 49 8.188 -10.777 1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.939 -11.329 0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.339 -11.914 -0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.014 -10.427 -1.071 1.00 0.00 H new ATOM 774 N ALA A 50 10.201 -9.167 1.976 1.00 0.00 N ATOM 775 CA ALA A 50 11.087 -8.029 2.297 1.00 0.00 C ATOM 776 C ALA A 50 11.803 -7.521 1.051 1.00 0.00 C ATOM 777 O ALA A 50 11.752 -6.350 0.740 1.00 0.00 O ATOM 778 CB ALA A 50 12.140 -8.501 3.311 1.00 0.00 C ATOM 0 H ALA A 50 10.484 -10.066 2.367 1.00 0.00 H new ATOM 0 HA ALA A 50 10.482 -7.219 2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.803 -7.672 3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.643 -8.851 4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.722 -9.315 2.879 1.00 0.00 H new ATOM 784 N ASP A 51 12.463 -8.411 0.366 1.00 0.00 N ATOM 785 CA ASP A 51 13.188 -8.001 -0.855 1.00 0.00 C ATOM 786 C ASP A 51 12.249 -7.328 -1.851 1.00 0.00 C ATOM 787 O ASP A 51 12.683 -6.630 -2.744 1.00 0.00 O ATOM 788 CB ASP A 51 13.775 -9.259 -1.507 1.00 0.00 C ATOM 789 CG ASP A 51 14.697 -8.850 -2.654 1.00 0.00 C ATOM 790 OD1 ASP A 51 15.867 -8.658 -2.366 1.00 0.00 O ATOM 791 OD2 ASP A 51 14.180 -8.754 -3.754 1.00 0.00 O ATOM 0 H ASP A 51 12.529 -9.401 0.602 1.00 0.00 H new ATOM 0 HA ASP A 51 13.970 -7.292 -0.583 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.329 -9.840 -0.770 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.974 -9.897 -1.879 1.00 0.00 H new ATOM 796 N ASP A 52 10.976 -7.551 -1.678 1.00 0.00 N ATOM 797 CA ASP A 52 9.984 -6.935 -2.604 1.00 0.00 C ATOM 798 C ASP A 52 9.641 -5.505 -2.178 1.00 0.00 C ATOM 799 O ASP A 52 9.033 -4.767 -2.926 1.00 0.00 O ATOM 800 CB ASP A 52 8.707 -7.788 -2.552 1.00 0.00 C ATOM 801 CG ASP A 52 8.885 -9.053 -3.408 1.00 0.00 C ATOM 802 OD1 ASP A 52 9.630 -8.961 -4.371 1.00 0.00 O ATOM 803 OD2 ASP A 52 8.261 -10.037 -3.052 1.00 0.00 O ATOM 0 H ASP A 52 10.580 -8.131 -0.938 1.00 0.00 H new ATOM 0 HA ASP A 52 10.403 -6.898 -3.609 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.486 -8.065 -1.521 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.858 -7.209 -2.916 1.00 0.00 H new ATOM 808 N LYS A 53 10.017 -5.150 -0.976 1.00 0.00 N ATOM 809 CA LYS A 53 9.723 -3.771 -0.485 1.00 0.00 C ATOM 810 C LYS A 53 10.806 -2.802 -0.942 1.00 0.00 C ATOM 811 O LYS A 53 10.639 -1.600 -0.899 1.00 0.00 O ATOM 812 CB LYS A 53 9.715 -3.797 1.047 1.00 0.00 C ATOM 813 CG LYS A 53 8.487 -4.566 1.533 1.00 0.00 C ATOM 814 CD LYS A 53 8.330 -4.354 3.041 1.00 0.00 C ATOM 815 CE LYS A 53 7.298 -5.347 3.593 1.00 0.00 C ATOM 816 NZ LYS A 53 7.929 -6.676 3.832 1.00 0.00 N ATOM 0 H LYS A 53 10.512 -5.751 -0.317 1.00 0.00 H new ATOM 0 HA LYS A 53 8.761 -3.446 -0.881 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.624 -4.269 1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.700 -2.780 1.439 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.595 -4.221 1.010 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.596 -5.628 1.311 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.289 -4.494 3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.011 -3.332 3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.878 -4.965 4.523 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.472 -5.451 2.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.577 -7.072 4.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.689 -7.320 3.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.962 -6.565 3.885 1.00 0.00 H new ATOM 830 N GLN A 54 11.899 -3.362 -1.372 1.00 0.00 N ATOM 831 CA GLN A 54 13.033 -2.541 -1.845 1.00 0.00 C ATOM 832 C GLN A 54 12.594 -1.384 -2.798 1.00 0.00 C ATOM 833 O GLN A 54 12.915 -0.250 -2.559 1.00 0.00 O ATOM 834 CB GLN A 54 14.023 -3.494 -2.578 1.00 0.00 C ATOM 835 CG GLN A 54 15.271 -3.735 -1.706 1.00 0.00 C ATOM 836 CD GLN A 54 16.217 -4.693 -2.430 1.00 0.00 C ATOM 837 OE1 GLN A 54 16.495 -4.541 -3.604 1.00 0.00 O ATOM 838 NE2 GLN A 54 16.734 -5.694 -1.768 1.00 0.00 N ATOM 0 H GLN A 54 12.052 -4.370 -1.415 1.00 0.00 H new ATOM 0 HA GLN A 54 13.499 -2.059 -0.986 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.533 -4.443 -2.795 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.316 -3.061 -3.534 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.776 -2.790 -1.505 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.980 -4.153 -0.742 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.505 -5.827 -0.783 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.367 -6.343 -2.236 1.00 0.00 H new ATOM 847 N PRO A 55 11.883 -1.691 -3.873 1.00 0.00 N ATOM 848 CA PRO A 55 11.451 -0.643 -4.795 1.00 0.00 C ATOM 849 C PRO A 55 10.810 0.536 -4.076 1.00 0.00 C ATOM 850 O PRO A 55 11.064 1.674 -4.393 1.00 0.00 O ATOM 851 CB PRO A 55 10.405 -1.339 -5.717 1.00 0.00 C ATOM 852 CG PRO A 55 10.521 -2.876 -5.461 1.00 0.00 C ATOM 853 CD PRO A 55 11.458 -3.060 -4.240 1.00 0.00 C ATOM 0 HA PRO A 55 12.299 -0.228 -5.340 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.398 -0.986 -5.493 1.00 0.00 H new ATOM 0 HB3 PRO A 55 10.599 -1.107 -6.764 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.541 -3.310 -5.264 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.924 -3.384 -6.337 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.939 -3.547 -3.414 1.00 0.00 H new ATOM 0 HD3 PRO A 55 12.315 -3.685 -4.491 1.00 0.00 H new ATOM 861 N TYR A 56 10.006 0.236 -3.126 1.00 0.00 N ATOM 862 CA TYR A 56 9.332 1.323 -2.376 1.00 0.00 C ATOM 863 C TYR A 56 10.284 2.092 -1.466 1.00 0.00 C ATOM 864 O TYR A 56 10.440 3.286 -1.613 1.00 0.00 O ATOM 865 CB TYR A 56 8.232 0.700 -1.537 1.00 0.00 C ATOM 866 CG TYR A 56 7.157 0.168 -2.473 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.329 1.042 -3.126 1.00 0.00 C ATOM 868 CD2 TYR A 56 6.985 -1.182 -2.655 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.330 0.583 -3.949 1.00 0.00 C ATOM 870 CE2 TYR A 56 5.982 -1.657 -3.479 1.00 0.00 C ATOM 871 CZ TYR A 56 5.144 -0.776 -4.135 1.00 0.00 C ATOM 872 OH TYR A 56 4.138 -1.243 -4.957 1.00 0.00 O ATOM 0 H TYR A 56 9.778 -0.712 -2.827 1.00 0.00 H new ATOM 0 HA TYR A 56 8.936 2.039 -3.097 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.634 -0.106 -0.923 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.810 1.439 -0.856 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.463 2.105 -2.992 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.639 -1.878 -2.150 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.685 1.287 -4.454 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.853 -2.721 -3.611 1.00 0.00 H new ATOM 0 HH TYR A 56 4.155 -2.223 -4.971 1.00 0.00 H new ATOM 882 N GLU A 57 10.912 1.411 -0.547 1.00 0.00 N ATOM 883 CA GLU A 57 11.844 2.134 0.354 1.00 0.00 C ATOM 884 C GLU A 57 12.880 2.854 -0.484 1.00 0.00 C ATOM 885 O GLU A 57 13.288 3.962 -0.192 1.00 0.00 O ATOM 886 CB GLU A 57 12.516 1.099 1.296 1.00 0.00 C ATOM 887 CG GLU A 57 13.673 0.399 0.595 1.00 0.00 C ATOM 888 CD GLU A 57 14.116 -0.823 1.411 1.00 0.00 C ATOM 889 OE1 GLU A 57 13.356 -1.199 2.288 1.00 0.00 O ATOM 890 OE2 GLU A 57 15.191 -1.311 1.110 1.00 0.00 O ATOM 0 H GLU A 57 10.822 0.408 -0.385 1.00 0.00 H new ATOM 0 HA GLU A 57 11.313 2.871 0.956 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.879 1.600 2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.780 0.362 1.617 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.370 0.089 -0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.508 1.089 0.475 1.00 0.00 H new ATOM 897 N LYS A 58 13.275 2.185 -1.505 1.00 0.00 N ATOM 898 CA LYS A 58 14.280 2.746 -2.426 1.00 0.00 C ATOM 899 C LYS A 58 13.732 4.000 -3.075 1.00 0.00 C ATOM 900 O LYS A 58 14.335 5.053 -3.011 1.00 0.00 O ATOM 901 CB LYS A 58 14.560 1.686 -3.515 1.00 0.00 C ATOM 902 CG LYS A 58 15.564 2.233 -4.541 1.00 0.00 C ATOM 903 CD LYS A 58 16.870 2.657 -3.828 1.00 0.00 C ATOM 904 CE LYS A 58 18.045 2.613 -4.825 1.00 0.00 C ATOM 905 NZ LYS A 58 19.138 3.524 -4.382 1.00 0.00 N ATOM 0 H LYS A 58 12.940 1.253 -1.750 1.00 0.00 H new ATOM 0 HA LYS A 58 15.193 2.999 -1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.954 0.779 -3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.631 1.413 -4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.780 1.473 -5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.133 3.086 -5.065 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.763 3.663 -3.421 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.069 1.992 -2.987 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.423 1.594 -4.906 1.00 0.00 H new ATOM 0 HE3 LYS A 58 17.700 2.905 -5.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 19.922 3.483 -5.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 18.777 4.498 -4.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 19.478 3.228 -3.445 1.00 0.00 H new ATOM 919 N LYS A 59 12.589 3.865 -3.695 1.00 0.00 N ATOM 920 CA LYS A 59 11.979 5.037 -4.355 1.00 0.00 C ATOM 921 C LYS A 59 11.894 6.172 -3.371 1.00 0.00 C ATOM 922 O LYS A 59 12.272 7.292 -3.654 1.00 0.00 O ATOM 923 CB LYS A 59 10.555 4.660 -4.778 1.00 0.00 C ATOM 924 CG LYS A 59 9.966 5.777 -5.652 1.00 0.00 C ATOM 925 CD LYS A 59 8.581 5.338 -6.185 1.00 0.00 C ATOM 926 CE LYS A 59 7.488 5.569 -5.103 1.00 0.00 C ATOM 927 NZ LYS A 59 6.689 6.783 -5.424 1.00 0.00 N ATOM 0 H LYS A 59 12.060 2.996 -3.768 1.00 0.00 H new ATOM 0 HA LYS A 59 12.577 5.335 -5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.565 3.720 -5.329 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.932 4.506 -3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.870 6.695 -5.072 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.636 5.994 -6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.335 5.901 -7.086 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.609 4.285 -6.465 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.833 4.699 -5.047 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.954 5.681 -4.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.891 6.858 -4.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.291 7.627 -5.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.326 6.713 -6.396 1.00 0.00 H new ATOM 941 N ALA A 60 11.390 5.848 -2.225 1.00 0.00 N ATOM 942 CA ALA A 60 11.252 6.863 -1.169 1.00 0.00 C ATOM 943 C ALA A 60 12.552 7.634 -0.983 1.00 0.00 C ATOM 944 O ALA A 60 12.541 8.832 -0.769 1.00 0.00 O ATOM 945 CB ALA A 60 10.911 6.145 0.148 1.00 0.00 C ATOM 0 H ALA A 60 11.065 4.914 -1.975 1.00 0.00 H new ATOM 0 HA ALA A 60 10.468 7.566 -1.450 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.804 6.880 0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.976 5.597 0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.711 5.449 0.401 1.00 0.00 H new ATOM 951 N ALA A 61 13.660 6.934 -1.072 1.00 0.00 N ATOM 952 CA ALA A 61 14.963 7.607 -0.903 1.00 0.00 C ATOM 953 C ALA A 61 15.361 8.370 -2.157 1.00 0.00 C ATOM 954 O ALA A 61 16.044 9.373 -2.085 1.00 0.00 O ATOM 955 CB ALA A 61 16.024 6.533 -0.616 1.00 0.00 C ATOM 0 H ALA A 61 13.706 5.931 -1.254 1.00 0.00 H new ATOM 0 HA ALA A 61 14.887 8.320 -0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.997 7.008 -0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.760 5.995 0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 61 16.069 5.834 -1.451 1.00 0.00 H new ATOM 961 N LYS A 62 14.931 7.888 -3.278 1.00 0.00 N ATOM 962 CA LYS A 62 15.272 8.564 -4.529 1.00 0.00 C ATOM 963 C LYS A 62 14.616 9.938 -4.600 1.00 0.00 C ATOM 964 O LYS A 62 15.262 10.922 -4.900 1.00 0.00 O ATOM 965 CB LYS A 62 14.763 7.697 -5.697 1.00 0.00 C ATOM 966 CG LYS A 62 15.723 6.503 -5.917 1.00 0.00 C ATOM 967 CD LYS A 62 16.938 6.946 -6.794 1.00 0.00 C ATOM 968 CE LYS A 62 16.653 6.658 -8.284 1.00 0.00 C ATOM 969 NZ LYS A 62 15.531 7.503 -8.783 1.00 0.00 N ATOM 0 H LYS A 62 14.356 7.051 -3.374 1.00 0.00 H new ATOM 0 HA LYS A 62 16.352 8.698 -4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.758 7.333 -5.482 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.698 8.296 -6.605 1.00 0.00 H new ATOM 0 HG2 LYS A 62 16.076 6.128 -4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.192 5.685 -6.404 1.00 0.00 H new ATOM 0 HD2 LYS A 62 17.130 8.010 -6.652 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.836 6.415 -6.479 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.549 6.851 -8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.406 5.604 -8.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.509 7.473 -9.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.631 7.142 -8.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.669 8.484 -8.468 1.00 0.00 H new ATOM 983 N LEU A 63 13.335 9.985 -4.328 1.00 0.00 N ATOM 984 CA LEU A 63 12.636 11.285 -4.378 1.00 0.00 C ATOM 985 C LEU A 63 13.046 12.174 -3.207 1.00 0.00 C ATOM 986 O LEU A 63 12.994 13.384 -3.302 1.00 0.00 O ATOM 987 CB LEU A 63 11.100 11.032 -4.352 1.00 0.00 C ATOM 988 CG LEU A 63 10.610 10.681 -2.900 1.00 0.00 C ATOM 989 CD1 LEU A 63 10.017 11.930 -2.221 1.00 0.00 C ATOM 990 CD2 LEU A 63 9.509 9.610 -2.972 1.00 0.00 C ATOM 0 H LEU A 63 12.757 9.183 -4.077 1.00 0.00 H new ATOM 0 HA LEU A 63 12.911 11.802 -5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.576 11.917 -4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.851 10.216 -5.031 1.00 0.00 H new ATOM 0 HG LEU A 63 11.463 10.316 -2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.681 11.673 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.778 12.708 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.171 12.294 -2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.171 9.368 -1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.670 9.989 -3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.905 8.713 -3.447 1.00 0.00 H new ATOM 1002 N LYS A 64 13.450 11.566 -2.123 1.00 0.00 N ATOM 1003 CA LYS A 64 13.865 12.378 -0.950 1.00 0.00 C ATOM 1004 C LYS A 64 14.967 13.326 -1.363 1.00 0.00 C ATOM 1005 O LYS A 64 15.040 14.458 -0.902 1.00 0.00 O ATOM 1006 CB LYS A 64 14.406 11.428 0.123 1.00 0.00 C ATOM 1007 CG LYS A 64 14.599 12.202 1.436 1.00 0.00 C ATOM 1008 CD LYS A 64 14.979 11.218 2.572 1.00 0.00 C ATOM 1009 CE LYS A 64 14.578 11.816 3.928 1.00 0.00 C ATOM 1010 NZ LYS A 64 14.853 13.280 3.960 1.00 0.00 N ATOM 0 H LYS A 64 13.509 10.555 -2.002 1.00 0.00 H new ATOM 0 HA LYS A 64 13.018 12.947 -0.568 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.714 10.600 0.274 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.353 10.997 -0.201 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.380 12.952 1.315 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.683 12.734 1.694 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.477 10.262 2.422 1.00 0.00 H new ATOM 0 HD3 LYS A 64 16.051 11.021 2.553 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.519 11.636 4.112 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.129 11.320 4.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.937 13.596 4.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.741 13.477 3.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.073 13.790 3.499 1.00 0.00 H new ATOM 1024 N GLU A 65 15.819 12.841 -2.214 1.00 0.00 N ATOM 1025 CA GLU A 65 16.913 13.661 -2.682 1.00 0.00 C ATOM 1026 C GLU A 65 16.361 14.748 -3.578 1.00 0.00 C ATOM 1027 O GLU A 65 16.355 15.903 -3.219 1.00 0.00 O ATOM 1028 CB GLU A 65 17.853 12.769 -3.497 1.00 0.00 C ATOM 1029 CG GLU A 65 18.368 11.618 -2.616 1.00 0.00 C ATOM 1030 CD GLU A 65 19.489 12.132 -1.710 1.00 0.00 C ATOM 1031 OE1 GLU A 65 20.355 12.801 -2.248 1.00 0.00 O ATOM 1032 OE2 GLU A 65 19.413 11.827 -0.532 1.00 0.00 O ATOM 0 H GLU A 65 15.787 11.897 -2.599 1.00 0.00 H new ATOM 0 HA GLU A 65 17.444 14.113 -1.844 1.00 0.00 H new ATOM 0 HB2 GLU A 65 17.329 12.369 -4.365 1.00 0.00 H new ATOM 0 HB3 GLU A 65 18.691 13.355 -3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.554 11.215 -2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.735 10.804 -3.241 1.00 0.00 H new ATOM 1039 N LYS A 66 15.857 14.336 -4.727 1.00 0.00 N ATOM 1040 CA LYS A 66 15.280 15.320 -5.693 1.00 0.00 C ATOM 1041 C LYS A 66 14.505 16.377 -4.954 1.00 0.00 C ATOM 1042 O LYS A 66 14.457 17.527 -5.345 1.00 0.00 O ATOM 1043 CB LYS A 66 14.311 14.551 -6.615 1.00 0.00 C ATOM 1044 CG LYS A 66 13.459 15.550 -7.460 1.00 0.00 C ATOM 1045 CD LYS A 66 12.220 16.085 -6.629 1.00 0.00 C ATOM 1046 CE LYS A 66 10.918 15.907 -7.440 1.00 0.00 C ATOM 1047 NZ LYS A 66 10.474 14.485 -7.407 1.00 0.00 N ATOM 0 H LYS A 66 15.824 13.363 -5.030 1.00 0.00 H new ATOM 0 HA LYS A 66 16.077 15.798 -6.262 1.00 0.00 H new ATOM 0 HB2 LYS A 66 14.874 13.892 -7.277 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.655 13.918 -6.017 1.00 0.00 H new ATOM 0 HG2 LYS A 66 14.081 16.389 -7.773 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.108 15.057 -8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.146 15.546 -5.685 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.364 17.137 -6.384 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.137 16.548 -7.031 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.079 16.220 -8.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.597 14.382 -7.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.214 13.881 -7.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.301 14.198 -6.422 1.00 0.00 H new ATOM 1061 N TYR A 67 13.916 15.956 -3.901 1.00 0.00 N ATOM 1062 CA TYR A 67 13.128 16.874 -3.085 1.00 0.00 C ATOM 1063 C TYR A 67 14.025 17.902 -2.406 1.00 0.00 C ATOM 1064 O TYR A 67 14.525 18.803 -3.046 1.00 0.00 O ATOM 1065 CB TYR A 67 12.365 16.013 -2.031 1.00 0.00 C ATOM 1066 CG TYR A 67 11.764 16.860 -0.904 1.00 0.00 C ATOM 1067 CD1 TYR A 67 11.063 18.002 -1.181 1.00 0.00 C ATOM 1068 CD2 TYR A 67 11.833 16.425 0.407 1.00 0.00 C ATOM 1069 CE1 TYR A 67 10.428 18.696 -0.171 1.00 0.00 C ATOM 1070 CE2 TYR A 67 11.192 17.124 1.415 1.00 0.00 C ATOM 1071 CZ TYR A 67 10.493 18.263 1.126 1.00 0.00 C ATOM 1072 OH TYR A 67 9.899 18.991 2.130 1.00 0.00 O ATOM 0 H TYR A 67 13.947 14.994 -3.563 1.00 0.00 H new ATOM 0 HA TYR A 67 12.424 17.431 -3.703 1.00 0.00 H new ATOM 0 HB2 TYR A 67 11.569 15.458 -2.528 1.00 0.00 H new ATOM 0 HB3 TYR A 67 13.048 15.278 -1.604 1.00 0.00 H new ATOM 0 HD1 TYR A 67 11.006 18.363 -2.197 1.00 0.00 H new ATOM 0 HD2 TYR A 67 12.392 15.532 0.646 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.873 19.592 -0.407 1.00 0.00 H new ATOM 0 HE2 TYR A 67 11.244 16.768 2.433 1.00 0.00 H new ATOM 0 HH TYR A 67 9.121 19.468 1.772 1.00 0.00 H new ATOM 1082 N GLU A 68 14.265 17.699 -1.160 1.00 0.00 N ATOM 1083 CA GLU A 68 15.112 18.627 -0.377 1.00 0.00 C ATOM 1084 C GLU A 68 16.417 19.036 -1.072 1.00 0.00 C ATOM 1085 O GLU A 68 17.130 19.893 -0.590 1.00 0.00 O ATOM 1086 CB GLU A 68 15.430 17.886 0.935 1.00 0.00 C ATOM 1087 CG GLU A 68 14.295 18.142 1.974 1.00 0.00 C ATOM 1088 CD GLU A 68 14.706 19.274 2.930 1.00 0.00 C ATOM 1089 OE1 GLU A 68 15.127 20.295 2.411 1.00 0.00 O ATOM 1090 OE2 GLU A 68 14.576 19.050 4.122 1.00 0.00 O ATOM 0 H GLU A 68 13.902 16.907 -0.630 1.00 0.00 H new ATOM 0 HA GLU A 68 14.572 19.563 -0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.528 16.817 0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.385 18.228 1.334 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.372 18.407 1.459 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.095 17.232 2.539 1.00 0.00 H new ATOM 1097 N LYS A 69 16.698 18.440 -2.152 1.00 0.00 N ATOM 1098 CA LYS A 69 17.958 18.799 -2.870 1.00 0.00 C ATOM 1099 C LYS A 69 17.918 20.229 -3.453 1.00 0.00 C ATOM 1100 O LYS A 69 18.950 20.801 -3.742 1.00 0.00 O ATOM 1101 CB LYS A 69 18.154 17.791 -4.012 1.00 0.00 C ATOM 1102 CG LYS A 69 19.304 18.235 -4.925 1.00 0.00 C ATOM 1103 CD LYS A 69 19.764 17.026 -5.767 1.00 0.00 C ATOM 1104 CE LYS A 69 20.832 17.459 -6.810 1.00 0.00 C ATOM 1105 NZ LYS A 69 20.299 17.272 -8.187 1.00 0.00 N ATOM 0 H LYS A 69 16.129 17.716 -2.592 1.00 0.00 H new ATOM 0 HA LYS A 69 18.783 18.767 -2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 69 18.367 16.804 -3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.234 17.704 -4.591 1.00 0.00 H new ATOM 0 HG2 LYS A 69 18.978 19.046 -5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 69 20.133 18.618 -4.329 1.00 0.00 H new ATOM 0 HD2 LYS A 69 20.177 16.257 -5.114 1.00 0.00 H new ATOM 0 HD3 LYS A 69 18.908 16.585 -6.277 1.00 0.00 H new ATOM 0 HE2 LYS A 69 21.103 18.503 -6.654 1.00 0.00 H new ATOM 0 HE3 LYS A 69 21.740 16.871 -6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 21.018 17.563 -8.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 20.062 16.270 -8.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 19.444 17.852 -8.310 1.00 0.00 H new ATOM 1119 N ASP A 70 16.734 20.770 -3.617 1.00 0.00 N ATOM 1120 CA ASP A 70 16.604 22.156 -4.179 1.00 0.00 C ATOM 1121 C ASP A 70 15.717 23.028 -3.279 1.00 0.00 C ATOM 1122 O ASP A 70 15.995 24.191 -3.057 1.00 0.00 O ATOM 1123 CB ASP A 70 15.923 22.007 -5.562 1.00 0.00 C ATOM 1124 CG ASP A 70 16.986 21.826 -6.654 1.00 0.00 C ATOM 1125 OD1 ASP A 70 17.769 20.905 -6.500 1.00 0.00 O ATOM 1126 OD2 ASP A 70 16.951 22.621 -7.580 1.00 0.00 O ATOM 0 H ASP A 70 15.851 20.313 -3.387 1.00 0.00 H new ATOM 0 HA ASP A 70 17.583 22.631 -4.250 1.00 0.00 H new ATOM 0 HB2 ASP A 70 15.249 21.151 -5.554 1.00 0.00 H new ATOM 0 HB3 ASP A 70 15.317 22.888 -5.775 1.00 0.00 H new ATOM 1131 N ILE A 71 14.677 22.434 -2.787 1.00 0.00 N ATOM 1132 CA ILE A 71 13.725 23.156 -1.898 1.00 0.00 C ATOM 1133 C ILE A 71 14.451 24.056 -0.932 1.00 0.00 C ATOM 1134 O ILE A 71 13.916 25.055 -0.490 1.00 0.00 O ATOM 1135 CB ILE A 71 12.989 22.086 -1.122 1.00 0.00 C ATOM 1136 CG1 ILE A 71 12.394 21.024 -2.084 1.00 0.00 C ATOM 1137 CG2 ILE A 71 11.860 22.703 -0.317 1.00 0.00 C ATOM 1138 CD1 ILE A 71 11.943 21.638 -3.444 1.00 0.00 C ATOM 0 H ILE A 71 14.437 21.459 -2.964 1.00 0.00 H new ATOM 0 HA ILE A 71 13.055 23.784 -2.486 1.00 0.00 H new ATOM 0 HB ILE A 71 13.703 21.608 -0.451 1.00 0.00 H new ATOM 0 HG12 ILE A 71 13.137 20.248 -2.268 1.00 0.00 H new ATOM 0 HG13 ILE A 71 11.541 20.542 -1.606 1.00 0.00 H new ATOM 0 HG21 ILE A 71 11.339 21.922 0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 71 12.268 23.433 0.382 1.00 0.00 H new ATOM 0 HG23 ILE A 71 11.161 23.198 -0.991 1.00 0.00 H new ATOM 0 HD11 ILE A 71 11.534 20.853 -4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.179 22.395 -3.266 1.00 0.00 H new ATOM 0 HD13 ILE A 71 12.800 22.096 -3.938 1.00 0.00 H new ATOM 1150 N ALA A 72 15.660 23.695 -0.617 1.00 0.00 N ATOM 1151 CA ALA A 72 16.445 24.533 0.330 1.00 0.00 C ATOM 1152 C ALA A 72 16.330 26.010 -0.049 1.00 0.00 C ATOM 1153 O ALA A 72 16.646 26.886 0.731 1.00 0.00 O ATOM 1154 CB ALA A 72 17.924 24.115 0.244 1.00 0.00 C ATOM 0 H ALA A 72 16.136 22.865 -0.969 1.00 0.00 H new ATOM 0 HA ALA A 72 16.060 24.392 1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 72 18.514 24.720 0.933 1.00 0.00 H new ATOM 0 HB2 ALA A 72 18.021 23.063 0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 72 18.286 24.266 -0.773 1.00 0.00 H new ATOM 1160 N ALA A 73 15.876 26.247 -1.262 1.00 0.00 N ATOM 1161 CA ALA A 73 15.716 27.632 -1.756 1.00 0.00 C ATOM 1162 C ALA A 73 14.244 28.000 -1.898 1.00 0.00 C ATOM 1163 O ALA A 73 13.863 29.131 -1.674 1.00 0.00 O ATOM 1164 CB ALA A 73 16.353 27.698 -3.141 1.00 0.00 C ATOM 0 H ALA A 73 15.610 25.522 -1.929 1.00 0.00 H new ATOM 0 HA ALA A 73 16.181 28.321 -1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 73 16.254 28.708 -3.539 1.00 0.00 H new ATOM 0 HB2 ALA A 73 17.409 27.438 -3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 73 15.851 26.995 -3.806 1.00 0.00 H new ATOM 1170 N TYR A 74 13.435 27.038 -2.270 1.00 0.00 N ATOM 1171 CA TYR A 74 11.993 27.335 -2.430 1.00 0.00 C ATOM 1172 C TYR A 74 11.464 28.081 -1.226 1.00 0.00 C ATOM 1173 O TYR A 74 12.063 28.084 -0.169 1.00 0.00 O ATOM 1174 CB TYR A 74 11.224 26.004 -2.619 1.00 0.00 C ATOM 1175 CG TYR A 74 9.699 26.197 -2.644 1.00 0.00 C ATOM 1176 CD1 TYR A 74 9.127 27.251 -3.321 1.00 0.00 C ATOM 1177 CD2 TYR A 74 8.875 25.313 -1.963 1.00 0.00 C ATOM 1178 CE1 TYR A 74 7.760 27.439 -3.312 1.00 0.00 C ATOM 1179 CE2 TYR A 74 7.500 25.513 -1.950 1.00 0.00 C ATOM 1180 CZ TYR A 74 6.939 26.572 -2.630 1.00 0.00 C ATOM 1181 OH TYR A 74 5.570 26.753 -2.633 1.00 0.00 O ATOM 0 H TYR A 74 13.713 26.076 -2.465 1.00 0.00 H new ATOM 0 HA TYR A 74 11.851 27.969 -3.305 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.542 25.535 -3.550 1.00 0.00 H new ATOM 0 HB3 TYR A 74 11.486 25.320 -1.812 1.00 0.00 H new ATOM 0 HD1 TYR A 74 9.756 27.939 -3.866 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.302 24.469 -1.443 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.331 28.274 -3.845 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.865 24.832 -1.402 1.00 0.00 H new ATOM 0 HH TYR A 74 5.146 26.048 -2.101 1.00 0.00 H new ATOM 1191 N ARG A 75 10.354 28.700 -1.423 1.00 0.00 N ATOM 1192 CA ARG A 75 9.703 29.487 -0.344 1.00 0.00 C ATOM 1193 C ARG A 75 8.226 29.115 -0.173 1.00 0.00 C ATOM 1194 O ARG A 75 7.775 28.106 -0.675 1.00 0.00 O ATOM 1195 CB ARG A 75 9.838 30.963 -0.763 1.00 0.00 C ATOM 1196 CG ARG A 75 8.753 31.350 -1.805 1.00 0.00 C ATOM 1197 CD ARG A 75 9.099 32.718 -2.441 1.00 0.00 C ATOM 1198 NE ARG A 75 8.464 32.804 -3.790 1.00 0.00 N ATOM 1199 CZ ARG A 75 8.896 33.692 -4.650 1.00 0.00 C ATOM 1200 NH1 ARG A 75 9.871 34.486 -4.302 1.00 0.00 N ATOM 1201 NH2 ARG A 75 8.343 33.751 -5.830 1.00 0.00 N ATOM 0 H ARG A 75 9.849 28.699 -2.309 1.00 0.00 H new ATOM 0 HA ARG A 75 10.177 29.286 0.617 1.00 0.00 H new ATOM 0 HB2 ARG A 75 9.748 31.603 0.115 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.829 31.136 -1.184 1.00 0.00 H new ATOM 0 HG2 ARG A 75 8.690 30.585 -2.579 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.776 31.399 -1.325 1.00 0.00 H new ATOM 0 HD2 ARG A 75 8.743 33.529 -1.805 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.180 32.831 -2.526 1.00 0.00 H new ATOM 0 HE ARG A 75 7.700 32.176 -4.039 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.284 34.409 -3.373 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.220 35.184 -4.959 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.586 33.111 -6.071 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.668 34.437 -6.512 1.00 0.00 H new ATOM 1215 N ALA A 76 7.501 29.947 0.541 1.00 0.00 N ATOM 1216 CA ALA A 76 6.060 29.669 0.761 1.00 0.00 C ATOM 1217 C ALA A 76 5.278 30.958 0.985 1.00 0.00 C ATOM 1218 O ALA A 76 5.431 31.617 1.996 1.00 0.00 O ATOM 1219 CB ALA A 76 5.922 28.787 2.013 1.00 0.00 C ATOM 0 H ALA A 76 7.851 30.801 0.976 1.00 0.00 H new ATOM 0 HA ALA A 76 5.660 29.170 -0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.869 28.571 2.192 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.463 27.853 1.861 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.336 29.311 2.874 1.00 0.00 H new ATOM 1225 N LYS A 77 4.445 31.297 0.025 1.00 0.00 N ATOM 1226 CA LYS A 77 3.631 32.544 0.150 1.00 0.00 C ATOM 1227 C LYS A 77 2.264 32.234 0.756 1.00 0.00 C ATOM 1228 O LYS A 77 1.651 33.179 1.224 1.00 0.00 O ATOM 1229 CB LYS A 77 3.431 33.134 -1.263 1.00 0.00 C ATOM 1230 CG LYS A 77 2.451 34.321 -1.186 1.00 0.00 C ATOM 1231 CD LYS A 77 2.562 35.172 -2.462 1.00 0.00 C ATOM 1232 CE LYS A 77 1.960 34.403 -3.642 1.00 0.00 C ATOM 1233 NZ LYS A 77 1.840 35.291 -4.834 1.00 0.00 N ATOM 1234 OXT LYS A 77 1.906 31.068 0.718 1.00 0.00 O ATOM 0 H LYS A 77 4.297 30.765 -0.833 1.00 0.00 H new ATOM 0 HA LYS A 77 4.148 33.251 0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.387 33.463 -1.671 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.043 32.370 -1.937 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.431 33.955 -1.070 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.673 34.931 -0.310 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.040 36.119 -2.327 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.606 35.410 -2.664 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.586 33.544 -3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.979 34.015 -3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.430 34.756 -5.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.224 36.097 -4.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.782 35.640 -5.103 1.00 0.00 H new TER 1248 LYS A 77