USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 932 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 ASN : amide:sc= -2.29! C(o=-2.4!,f=-10!) USER MOD Set 1.2: A 116 GLN : amide:sc= -0.121 K(o=-2.4,f=-4.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 42:sc= 0.472 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -93:sc= 0.0132 USER MOD Single : A 13 GLN : amide:sc= -0.0268 K(o=-0.027,f=-0.69) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.268 X(o=-0.27,f=0.055) USER MOD Single : A 33 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.0355) USER MOD Single : A 35 LYS NZ :NH3+ -148:sc= -0.242 (180deg=-1.47!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -103:sc= -0.101 (180deg=-1.39) USER MOD Single : A 52 SER OG : rot 31:sc= 0.0657 USER MOD Single : A 59 ASN : amide:sc= -1.18 K(o=-1.2,f=-7.5!) USER MOD Single : A 70 MET CE :methyl -166:sc= -0.951 (180deg=-1.18) USER MOD Single : A 80 ASN : amide:sc= -1.38 X(o=-1.4,f=-0.91) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.0807 X(o=-0.081,f=-0.32) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-1.4) USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 91 ASN : amide:sc=-0.00264 K(o=-0.0026,f=-1.7!) USER MOD Single : A 93 SER OG : rot -57:sc= 0.258 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -22:sc= 0.727 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -176:sc= -1 (180deg=-1.08) USER MOD Single : A 104 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.068) USER MOD Single : A 110 ASN : amide:sc= -1.33! C(o=-1.3!,f=-10!) USER MOD Single : A 115 ASN : amide:sc= -0.62 X(o=-0.62,f=-0.61) USER MOD Single : A 117 MET CE :methyl -127:sc= -6.25! (180deg=-9.33!) USER MOD Single : A 119 SER OG : rot -54:sc= 0.208 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.230 -20.931 18.806 1.00 0.00 N ATOM 2 CA GLY A 1 2.875 -22.194 19.427 1.00 0.00 C ATOM 3 C GLY A 1 2.425 -23.231 18.416 1.00 0.00 C ATOM 4 O GLY A 1 3.161 -23.561 17.486 1.00 0.00 O ATOM 0 H1 GLY A 1 3.531 -20.256 19.538 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.009 -21.082 18.133 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.405 -20.549 18.301 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.733 -22.578 19.979 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.078 -22.028 20.152 1.00 0.00 H new ATOM 8 N SER A 2 1.214 -23.747 18.600 1.00 0.00 N ATOM 9 CA SER A 2 0.670 -24.757 17.699 1.00 0.00 C ATOM 10 C SER A 2 -0.064 -24.105 16.532 1.00 0.00 C ATOM 11 O SER A 2 -1.187 -23.622 16.682 1.00 0.00 O ATOM 12 CB SER A 2 -0.279 -25.688 18.457 1.00 0.00 C ATOM 13 OG SER A 2 -1.278 -24.951 19.141 1.00 0.00 O ATOM 0 H SER A 2 0.591 -23.483 19.364 1.00 0.00 H new ATOM 0 HA SER A 2 1.501 -25.340 17.302 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.748 -26.381 17.759 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.287 -26.288 19.170 1.00 0.00 H new ATOM 0 HG SER A 2 -1.598 -24.224 18.567 1.00 0.00 H new ATOM 19 N SER A 3 0.578 -24.095 15.368 1.00 0.00 N ATOM 20 CA SER A 3 -0.011 -23.499 14.175 1.00 0.00 C ATOM 21 C SER A 3 -1.497 -23.833 14.078 1.00 0.00 C ATOM 22 O SER A 3 -1.956 -24.837 14.621 1.00 0.00 O ATOM 23 CB SER A 3 0.716 -23.991 12.922 1.00 0.00 C ATOM 24 OG SER A 3 2.083 -23.618 12.946 1.00 0.00 O ATOM 0 H SER A 3 1.506 -24.493 15.226 1.00 0.00 H new ATOM 0 HA SER A 3 0.097 -22.417 14.248 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.633 -25.076 12.852 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.238 -23.577 12.034 1.00 0.00 H new ATOM 0 HG SER A 3 2.526 -23.946 12.135 1.00 0.00 H new ATOM 30 N GLY A 4 -2.244 -22.981 13.382 1.00 0.00 N ATOM 31 CA GLY A 4 -3.670 -23.201 13.226 1.00 0.00 C ATOM 32 C GLY A 4 -4.469 -21.917 13.329 1.00 0.00 C ATOM 33 O GLY A 4 -4.430 -21.080 12.427 1.00 0.00 O ATOM 0 H GLY A 4 -1.887 -22.143 12.924 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.859 -23.666 12.259 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.012 -23.901 13.989 1.00 0.00 H new ATOM 37 N SER A 5 -5.198 -21.762 14.430 1.00 0.00 N ATOM 38 CA SER A 5 -6.015 -20.573 14.644 1.00 0.00 C ATOM 39 C SER A 5 -5.140 -19.359 14.941 1.00 0.00 C ATOM 40 O SER A 5 -5.322 -18.291 14.356 1.00 0.00 O ATOM 41 CB SER A 5 -6.995 -20.803 15.796 1.00 0.00 C ATOM 42 OG SER A 5 -8.183 -20.052 15.613 1.00 0.00 O ATOM 0 H SER A 5 -5.239 -22.444 15.187 1.00 0.00 H new ATOM 0 HA SER A 5 -6.577 -20.379 13.731 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.238 -21.863 15.864 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.525 -20.522 16.739 1.00 0.00 H new ATOM 0 HG SER A 5 -8.793 -20.218 16.362 1.00 0.00 H new ATOM 48 N SER A 6 -4.189 -19.531 15.854 1.00 0.00 N ATOM 49 CA SER A 6 -3.288 -18.450 16.232 1.00 0.00 C ATOM 50 C SER A 6 -2.341 -18.105 15.086 1.00 0.00 C ATOM 51 O SER A 6 -2.291 -18.805 14.076 1.00 0.00 O ATOM 52 CB SER A 6 -2.483 -18.839 17.474 1.00 0.00 C ATOM 53 OG SER A 6 -1.663 -19.966 17.218 1.00 0.00 O ATOM 0 H SER A 6 -4.023 -20.409 16.345 1.00 0.00 H new ATOM 0 HA SER A 6 -3.891 -17.571 16.459 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.864 -17.999 17.788 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.162 -19.059 18.297 1.00 0.00 H new ATOM 0 HG SER A 6 -1.158 -20.193 18.026 1.00 0.00 H new ATOM 59 N GLY A 7 -1.591 -17.020 15.252 1.00 0.00 N ATOM 60 CA GLY A 7 -0.656 -16.601 14.225 1.00 0.00 C ATOM 61 C GLY A 7 -0.264 -15.142 14.358 1.00 0.00 C ATOM 62 O GLY A 7 -0.889 -14.268 13.758 1.00 0.00 O ATOM 0 H GLY A 7 -1.614 -16.424 16.079 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.239 -17.221 14.278 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.101 -16.767 13.244 1.00 0.00 H new ATOM 66 N ASP A 8 0.772 -14.880 15.147 1.00 0.00 N ATOM 67 CA ASP A 8 1.246 -13.517 15.357 1.00 0.00 C ATOM 68 C ASP A 8 2.352 -13.167 14.366 1.00 0.00 C ATOM 69 O ASP A 8 3.364 -12.571 14.735 1.00 0.00 O ATOM 70 CB ASP A 8 1.756 -13.347 16.790 1.00 0.00 C ATOM 71 CG ASP A 8 2.346 -14.626 17.350 1.00 0.00 C ATOM 72 OD1 ASP A 8 3.109 -15.295 16.622 1.00 0.00 O ATOM 73 OD2 ASP A 8 2.044 -14.959 18.515 1.00 0.00 O ATOM 0 H ASP A 8 1.299 -15.593 15.651 1.00 0.00 H new ATOM 0 HA ASP A 8 0.409 -12.838 15.194 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.511 -12.561 16.813 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.935 -13.019 17.428 1.00 0.00 H new ATOM 78 N ALA A 9 2.151 -13.542 13.107 1.00 0.00 N ATOM 79 CA ALA A 9 3.130 -13.266 12.063 1.00 0.00 C ATOM 80 C ALA A 9 2.822 -11.953 11.353 1.00 0.00 C ATOM 81 O ALA A 9 3.641 -11.440 10.591 1.00 0.00 O ATOM 82 CB ALA A 9 3.171 -14.412 11.063 1.00 0.00 C ATOM 0 H ALA A 9 1.319 -14.038 12.786 1.00 0.00 H new ATOM 0 HA ALA A 9 4.109 -13.172 12.533 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.906 -14.193 10.289 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.448 -15.333 11.576 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.188 -14.532 10.607 1.00 0.00 H new ATOM 88 N PHE A 10 1.635 -11.413 11.608 1.00 0.00 N ATOM 89 CA PHE A 10 1.217 -10.159 10.992 1.00 0.00 C ATOM 90 C PHE A 10 1.358 -8.998 11.972 1.00 0.00 C ATOM 91 O PHE A 10 0.868 -7.896 11.722 1.00 0.00 O ATOM 92 CB PHE A 10 -0.231 -10.261 10.509 1.00 0.00 C ATOM 93 CG PHE A 10 -0.415 -11.211 9.360 1.00 0.00 C ATOM 94 CD1 PHE A 10 -0.660 -12.555 9.588 1.00 0.00 C ATOM 95 CD2 PHE A 10 -0.341 -10.759 8.052 1.00 0.00 C ATOM 96 CE1 PHE A 10 -0.830 -13.432 8.533 1.00 0.00 C ATOM 97 CE2 PHE A 10 -0.510 -11.631 6.993 1.00 0.00 C ATOM 98 CZ PHE A 10 -0.753 -12.970 7.234 1.00 0.00 C ATOM 0 H PHE A 10 0.945 -11.824 12.237 1.00 0.00 H new ATOM 0 HA PHE A 10 1.865 -9.970 10.136 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.861 -10.581 11.339 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.576 -9.271 10.210 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.719 -12.922 10.602 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.149 -9.714 7.858 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.023 -14.477 8.725 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.452 -11.266 5.978 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.882 -13.654 6.408 1.00 0.00 H new ATOM 108 N THR A 11 2.030 -9.253 13.090 1.00 0.00 N ATOM 109 CA THR A 11 2.234 -8.232 14.109 1.00 0.00 C ATOM 110 C THR A 11 3.160 -7.130 13.606 1.00 0.00 C ATOM 111 O THR A 11 4.213 -7.406 13.031 1.00 0.00 O ATOM 112 CB THR A 11 2.824 -8.834 15.398 1.00 0.00 C ATOM 113 OG1 THR A 11 3.905 -9.716 15.076 1.00 0.00 O ATOM 114 CG2 THR A 11 1.760 -9.591 16.178 1.00 0.00 C ATOM 0 H THR A 11 2.442 -10.159 13.313 1.00 0.00 H new ATOM 0 HA THR A 11 1.255 -7.807 14.331 1.00 0.00 H new ATOM 0 HB THR A 11 3.194 -8.018 16.018 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.567 -10.632 14.997 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.200 -10.007 17.084 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.952 -8.910 16.447 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.364 -10.399 15.563 1.00 0.00 H new ATOM 122 N ASP A 12 2.762 -5.882 13.827 1.00 0.00 N ATOM 123 CA ASP A 12 3.558 -4.739 13.397 1.00 0.00 C ATOM 124 C ASP A 12 5.049 -5.029 13.541 1.00 0.00 C ATOM 125 O ASP A 12 5.801 -4.959 12.569 1.00 0.00 O ATOM 126 CB ASP A 12 3.187 -3.497 14.210 1.00 0.00 C ATOM 127 CG ASP A 12 1.728 -3.490 14.622 1.00 0.00 C ATOM 128 OD1 ASP A 12 0.883 -3.939 13.819 1.00 0.00 O ATOM 129 OD2 ASP A 12 1.432 -3.035 15.746 1.00 0.00 O ATOM 0 H ASP A 12 1.893 -5.636 14.301 1.00 0.00 H new ATOM 0 HA ASP A 12 3.342 -4.553 12.345 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.813 -3.449 15.101 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.400 -2.604 13.622 1.00 0.00 H new ATOM 134 N GLN A 13 5.469 -5.354 14.759 1.00 0.00 N ATOM 135 CA GLN A 13 6.870 -5.653 15.030 1.00 0.00 C ATOM 136 C GLN A 13 7.417 -6.657 14.020 1.00 0.00 C ATOM 137 O GLN A 13 8.553 -6.536 13.562 1.00 0.00 O ATOM 138 CB GLN A 13 7.032 -6.200 16.449 1.00 0.00 C ATOM 139 CG GLN A 13 8.434 -6.705 16.750 1.00 0.00 C ATOM 140 CD GLN A 13 8.485 -7.581 17.987 1.00 0.00 C ATOM 141 OE1 GLN A 13 7.596 -8.401 18.219 1.00 0.00 O ATOM 142 NE2 GLN A 13 9.530 -7.412 18.789 1.00 0.00 N ATOM 0 H GLN A 13 4.859 -5.417 15.574 1.00 0.00 H new ATOM 0 HA GLN A 13 7.437 -4.727 14.939 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.776 -5.417 17.163 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.322 -7.013 16.599 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.805 -7.269 15.894 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.102 -5.854 16.884 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.244 -6.721 18.558 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.619 -7.973 19.636 1.00 0.00 H new ATOM 151 N LYS A 14 6.601 -7.648 13.677 1.00 0.00 N ATOM 152 CA LYS A 14 7.002 -8.672 12.720 1.00 0.00 C ATOM 153 C LYS A 14 6.967 -8.130 11.295 1.00 0.00 C ATOM 154 O LYS A 14 7.765 -8.533 10.448 1.00 0.00 O ATOM 155 CB LYS A 14 6.085 -9.893 12.835 1.00 0.00 C ATOM 156 CG LYS A 14 6.556 -10.913 13.857 1.00 0.00 C ATOM 157 CD LYS A 14 7.636 -11.816 13.286 1.00 0.00 C ATOM 158 CE LYS A 14 8.456 -12.470 14.388 1.00 0.00 C ATOM 159 NZ LYS A 14 9.617 -11.628 14.789 1.00 0.00 N ATOM 0 H LYS A 14 5.658 -7.764 14.048 1.00 0.00 H new ATOM 0 HA LYS A 14 8.025 -8.969 12.951 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.082 -9.560 13.102 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.012 -10.375 11.860 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.940 -10.397 14.737 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.711 -11.518 14.185 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.177 -12.587 12.666 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.293 -11.235 12.638 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.821 -12.650 15.255 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.813 -13.442 14.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.150 -12.108 15.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.237 -11.477 13.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.276 -10.710 15.138 1.00 0.00 H new ATOM 173 N ILE A 15 6.040 -7.213 11.038 1.00 0.00 N ATOM 174 CA ILE A 15 5.905 -6.614 9.716 1.00 0.00 C ATOM 175 C ILE A 15 7.138 -5.792 9.356 1.00 0.00 C ATOM 176 O ILE A 15 7.691 -5.929 8.264 1.00 0.00 O ATOM 177 CB ILE A 15 4.659 -5.713 9.631 1.00 0.00 C ATOM 178 CG1 ILE A 15 3.397 -6.520 9.945 1.00 0.00 C ATOM 179 CG2 ILE A 15 4.558 -5.077 8.253 1.00 0.00 C ATOM 180 CD1 ILE A 15 2.161 -5.665 10.117 1.00 0.00 C ATOM 0 H ILE A 15 5.372 -6.869 11.728 1.00 0.00 H new ATOM 0 HA ILE A 15 5.799 -7.435 9.007 1.00 0.00 H new ATOM 0 HB ILE A 15 4.753 -4.918 10.371 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.224 -7.237 9.142 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.561 -7.095 10.856 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.672 -4.443 8.209 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.446 -4.473 8.065 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.483 -5.858 7.496 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.305 -6.303 10.337 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.314 -4.966 10.939 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.972 -5.109 9.198 1.00 0.00 H new ATOM 192 N ARG A 16 7.565 -4.940 10.281 1.00 0.00 N ATOM 193 CA ARG A 16 8.734 -4.096 10.062 1.00 0.00 C ATOM 194 C ARG A 16 9.991 -4.943 9.890 1.00 0.00 C ATOM 195 O ARG A 16 10.765 -4.739 8.955 1.00 0.00 O ATOM 196 CB ARG A 16 8.915 -3.126 11.231 1.00 0.00 C ATOM 197 CG ARG A 16 8.978 -3.810 12.587 1.00 0.00 C ATOM 198 CD ARG A 16 8.767 -2.819 13.721 1.00 0.00 C ATOM 199 NE ARG A 16 7.359 -2.464 13.882 1.00 0.00 N ATOM 200 CZ ARG A 16 6.937 -1.468 14.653 1.00 0.00 C ATOM 201 NH1 ARG A 16 7.809 -0.733 15.329 1.00 0.00 N ATOM 202 NH2 ARG A 16 5.640 -1.206 14.748 1.00 0.00 N ATOM 0 H ARG A 16 7.119 -4.815 11.190 1.00 0.00 H new ATOM 0 HA ARG A 16 8.573 -3.526 9.147 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.831 -2.554 11.079 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.091 -2.413 11.231 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.218 -4.590 12.638 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.945 -4.299 12.705 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.142 -3.247 14.651 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.348 -1.918 13.528 1.00 0.00 H new ATOM 0 HE ARG A 16 6.663 -3.010 13.375 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.807 -0.932 15.258 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.482 0.031 15.920 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.967 -1.769 14.229 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.316 -0.441 15.340 1.00 0.00 H new ATOM 216 N GLN A 17 10.188 -5.892 10.799 1.00 0.00 N ATOM 217 CA GLN A 17 11.352 -6.769 10.748 1.00 0.00 C ATOM 218 C GLN A 17 11.334 -7.625 9.487 1.00 0.00 C ATOM 219 O GLN A 17 12.383 -7.952 8.931 1.00 0.00 O ATOM 220 CB GLN A 17 11.397 -7.665 11.987 1.00 0.00 C ATOM 221 CG GLN A 17 12.100 -7.028 13.174 1.00 0.00 C ATOM 222 CD GLN A 17 12.567 -8.048 14.193 1.00 0.00 C ATOM 223 OE1 GLN A 17 11.758 -8.745 14.807 1.00 0.00 O ATOM 224 NE2 GLN A 17 13.878 -8.143 14.379 1.00 0.00 N ATOM 0 H GLN A 17 9.557 -6.073 11.580 1.00 0.00 H new ATOM 0 HA GLN A 17 12.245 -6.144 10.728 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.378 -7.924 12.275 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.903 -8.597 11.733 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.957 -6.456 12.819 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.423 -6.322 13.656 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.513 -7.546 13.849 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.250 -8.813 15.052 1.00 0.00 H new ATOM 233 N ARG A 18 10.135 -7.986 9.040 1.00 0.00 N ATOM 234 CA ARG A 18 9.981 -8.806 7.844 1.00 0.00 C ATOM 235 C ARG A 18 10.408 -8.036 6.598 1.00 0.00 C ATOM 236 O ARG A 18 11.118 -8.565 5.743 1.00 0.00 O ATOM 237 CB ARG A 18 8.529 -9.266 7.700 1.00 0.00 C ATOM 238 CG ARG A 18 8.237 -9.953 6.376 1.00 0.00 C ATOM 239 CD ARG A 18 6.910 -10.696 6.415 1.00 0.00 C ATOM 240 NE ARG A 18 7.052 -12.043 6.962 1.00 0.00 N ATOM 241 CZ ARG A 18 7.693 -13.025 6.338 1.00 0.00 C ATOM 242 NH1 ARG A 18 8.247 -12.812 5.153 1.00 0.00 N ATOM 243 NH2 ARG A 18 7.780 -14.224 6.901 1.00 0.00 N ATOM 0 H ARG A 18 9.257 -7.724 9.488 1.00 0.00 H new ATOM 0 HA ARG A 18 10.624 -9.680 7.947 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.291 -9.950 8.515 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.871 -8.403 7.805 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.217 -9.212 5.577 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.040 -10.652 6.143 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.197 -10.133 7.018 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.498 -10.756 5.408 1.00 0.00 H new ATOM 0 HE ARG A 18 6.636 -12.240 7.872 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.182 -11.892 4.718 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.739 -13.568 4.676 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.355 -14.391 7.813 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.272 -14.978 6.422 1.00 0.00 H new ATOM 257 N TYR A 19 9.970 -6.786 6.502 1.00 0.00 N ATOM 258 CA TYR A 19 10.304 -5.945 5.359 1.00 0.00 C ATOM 259 C TYR A 19 11.435 -4.981 5.705 1.00 0.00 C ATOM 260 O TYR A 19 11.652 -3.987 5.012 1.00 0.00 O ATOM 261 CB TYR A 19 9.073 -5.161 4.900 1.00 0.00 C ATOM 262 CG TYR A 19 7.971 -6.034 4.345 1.00 0.00 C ATOM 263 CD1 TYR A 19 8.099 -6.643 3.103 1.00 0.00 C ATOM 264 CD2 TYR A 19 6.802 -6.251 5.063 1.00 0.00 C ATOM 265 CE1 TYR A 19 7.094 -7.442 2.591 1.00 0.00 C ATOM 266 CE2 TYR A 19 5.792 -7.049 4.561 1.00 0.00 C ATOM 267 CZ TYR A 19 5.943 -7.642 3.324 1.00 0.00 C ATOM 268 OH TYR A 19 4.940 -8.437 2.819 1.00 0.00 O ATOM 0 H TYR A 19 9.383 -6.333 7.202 1.00 0.00 H new ATOM 0 HA TYR A 19 10.638 -6.592 4.548 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.683 -4.589 5.742 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.374 -4.442 4.138 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.000 -6.489 2.527 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.680 -5.788 6.031 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.209 -7.907 1.623 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.890 -7.208 5.133 1.00 0.00 H new ATOM 0 HH TYR A 19 4.199 -8.475 3.460 1.00 0.00 H new ATOM 278 N ALA A 20 12.154 -5.284 6.781 1.00 0.00 N ATOM 279 CA ALA A 20 13.265 -4.448 7.218 1.00 0.00 C ATOM 280 C ALA A 20 14.410 -4.487 6.212 1.00 0.00 C ATOM 281 O ALA A 20 15.264 -3.600 6.195 1.00 0.00 O ATOM 282 CB ALA A 20 13.750 -4.890 8.590 1.00 0.00 C ATOM 0 H ALA A 20 11.987 -6.103 7.366 1.00 0.00 H new ATOM 0 HA ALA A 20 12.910 -3.420 7.284 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.580 -4.257 8.904 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.935 -4.803 9.309 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.083 -5.927 8.542 1.00 0.00 H new ATOM 288 N ASP A 21 14.422 -5.519 5.376 1.00 0.00 N ATOM 289 CA ASP A 21 15.463 -5.673 4.366 1.00 0.00 C ATOM 290 C ASP A 21 15.299 -4.641 3.255 1.00 0.00 C ATOM 291 O ASP A 21 16.276 -4.222 2.632 1.00 0.00 O ATOM 292 CB ASP A 21 15.427 -7.085 3.777 1.00 0.00 C ATOM 293 CG ASP A 21 15.322 -8.155 4.846 1.00 0.00 C ATOM 294 OD1 ASP A 21 15.885 -7.955 5.943 1.00 0.00 O ATOM 295 OD2 ASP A 21 14.678 -9.193 4.586 1.00 0.00 O ATOM 0 H ASP A 21 13.723 -6.262 5.377 1.00 0.00 H new ATOM 0 HA ASP A 21 16.428 -5.513 4.847 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.580 -7.170 3.097 1.00 0.00 H new ATOM 0 HB3 ASP A 21 16.328 -7.252 3.186 1.00 0.00 H new ATOM 300 N LEU A 22 14.058 -4.235 3.009 1.00 0.00 N ATOM 301 CA LEU A 22 13.765 -3.253 1.972 1.00 0.00 C ATOM 302 C LEU A 22 14.604 -1.993 2.163 1.00 0.00 C ATOM 303 O LEU A 22 14.967 -1.623 3.280 1.00 0.00 O ATOM 304 CB LEU A 22 12.278 -2.896 1.984 1.00 0.00 C ATOM 305 CG LEU A 22 11.305 -4.073 1.898 1.00 0.00 C ATOM 306 CD1 LEU A 22 9.881 -3.575 1.703 1.00 0.00 C ATOM 307 CD2 LEU A 22 11.703 -5.012 0.768 1.00 0.00 C ATOM 0 H LEU A 22 13.238 -4.571 3.514 1.00 0.00 H new ATOM 0 HA LEU A 22 14.018 -3.694 1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.065 -2.341 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.079 -2.224 1.149 1.00 0.00 H new ATOM 0 HG LEU A 22 11.349 -4.626 2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.203 -4.426 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.598 -2.943 2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.820 -2.998 0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.000 -5.844 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.688 -4.470 -0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.707 -5.395 0.950 1.00 0.00 H new ATOM 319 N PRO A 23 14.917 -1.315 1.049 1.00 0.00 N ATOM 320 CA PRO A 23 15.713 -0.084 1.068 1.00 0.00 C ATOM 321 C PRO A 23 14.956 1.087 1.685 1.00 0.00 C ATOM 322 O PRO A 23 15.473 1.782 2.558 1.00 0.00 O ATOM 323 CB PRO A 23 15.993 0.180 -0.413 1.00 0.00 C ATOM 324 CG PRO A 23 14.875 -0.489 -1.135 1.00 0.00 C ATOM 325 CD PRO A 23 14.517 -1.698 -0.316 1.00 0.00 C ATOM 0 HA PRO A 23 16.613 -0.190 1.674 1.00 0.00 H new ATOM 0 HB2 PRO A 23 16.019 1.249 -0.627 1.00 0.00 H new ATOM 0 HB3 PRO A 23 16.958 -0.228 -0.712 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.021 0.180 -1.237 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.177 -0.776 -2.142 1.00 0.00 H new ATOM 0 HD2 PRO A 23 13.452 -1.922 -0.375 1.00 0.00 H new ATOM 0 HD3 PRO A 23 15.049 -2.586 -0.657 1.00 0.00 H new ATOM 333 N GLY A 24 13.726 1.298 1.225 1.00 0.00 N ATOM 334 CA GLY A 24 12.917 2.386 1.743 1.00 0.00 C ATOM 335 C GLY A 24 12.570 2.203 3.207 1.00 0.00 C ATOM 336 O GLY A 24 13.064 1.284 3.859 1.00 0.00 O ATOM 0 H GLY A 24 13.276 0.735 0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.453 3.326 1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.998 2.461 1.161 1.00 0.00 H new ATOM 340 N GLU A 25 11.718 3.082 3.726 1.00 0.00 N ATOM 341 CA GLU A 25 11.307 3.014 5.123 1.00 0.00 C ATOM 342 C GLU A 25 9.851 2.573 5.242 1.00 0.00 C ATOM 343 O GLU A 25 8.962 3.151 4.615 1.00 0.00 O ATOM 344 CB GLU A 25 11.496 4.373 5.801 1.00 0.00 C ATOM 345 CG GLU A 25 11.782 4.277 7.290 1.00 0.00 C ATOM 346 CD GLU A 25 13.215 3.879 7.584 1.00 0.00 C ATOM 347 OE1 GLU A 25 14.121 4.356 6.868 1.00 0.00 O ATOM 348 OE2 GLU A 25 13.431 3.093 8.530 1.00 0.00 O ATOM 0 H GLU A 25 11.299 3.849 3.200 1.00 0.00 H new ATOM 0 HA GLU A 25 11.934 2.276 5.623 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.317 4.901 5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.598 4.973 5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.572 5.238 7.759 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.107 3.549 7.740 1.00 0.00 H new ATOM 355 N LEU A 26 9.615 1.545 6.049 1.00 0.00 N ATOM 356 CA LEU A 26 8.267 1.024 6.251 1.00 0.00 C ATOM 357 C LEU A 26 7.403 2.027 7.009 1.00 0.00 C ATOM 358 O LEU A 26 7.826 2.583 8.024 1.00 0.00 O ATOM 359 CB LEU A 26 8.319 -0.301 7.013 1.00 0.00 C ATOM 360 CG LEU A 26 7.058 -1.163 6.948 1.00 0.00 C ATOM 361 CD1 LEU A 26 7.114 -2.102 5.753 1.00 0.00 C ATOM 362 CD2 LEU A 26 6.883 -1.950 8.239 1.00 0.00 C ATOM 0 H LEU A 26 10.339 1.055 6.574 1.00 0.00 H new ATOM 0 HA LEU A 26 7.820 0.855 5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.155 -0.886 6.628 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.535 -0.087 8.060 1.00 0.00 H new ATOM 0 HG LEU A 26 6.197 -0.505 6.827 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.208 -2.707 5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.191 -1.519 4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.983 -2.754 5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.981 -2.558 8.175 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.747 -2.597 8.390 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.796 -1.259 9.077 1.00 0.00 H new ATOM 374 N HIS A 27 6.191 2.252 6.512 1.00 0.00 N ATOM 375 CA HIS A 27 5.267 3.186 7.145 1.00 0.00 C ATOM 376 C HIS A 27 3.870 2.581 7.248 1.00 0.00 C ATOM 377 O HIS A 27 3.169 2.440 6.246 1.00 0.00 O ATOM 378 CB HIS A 27 5.212 4.495 6.358 1.00 0.00 C ATOM 379 CG HIS A 27 6.327 5.440 6.687 1.00 0.00 C ATOM 380 ND1 HIS A 27 6.245 6.377 7.695 1.00 0.00 N ATOM 381 CD2 HIS A 27 7.555 5.586 6.138 1.00 0.00 C ATOM 382 CE1 HIS A 27 7.374 7.061 7.750 1.00 0.00 C ATOM 383 NE2 HIS A 27 8.186 6.600 6.815 1.00 0.00 N ATOM 0 H HIS A 27 5.826 1.801 5.673 1.00 0.00 H new ATOM 0 HA HIS A 27 5.630 3.392 8.152 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.241 4.270 5.292 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.260 4.988 6.554 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.963 5.012 5.319 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.595 7.861 8.441 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.128 6.942 6.627 1.00 0.00 H new ATOM 392 N ILE A 28 3.472 2.227 8.465 1.00 0.00 N ATOM 393 CA ILE A 28 2.159 1.638 8.698 1.00 0.00 C ATOM 394 C ILE A 28 1.179 2.676 9.235 1.00 0.00 C ATOM 395 O ILE A 28 1.298 3.126 10.375 1.00 0.00 O ATOM 396 CB ILE A 28 2.237 0.461 9.689 1.00 0.00 C ATOM 397 CG1 ILE A 28 3.224 -0.593 9.185 1.00 0.00 C ATOM 398 CG2 ILE A 28 0.859 -0.150 9.894 1.00 0.00 C ATOM 399 CD1 ILE A 28 3.499 -1.692 10.187 1.00 0.00 C ATOM 0 H ILE A 28 4.040 2.338 9.305 1.00 0.00 H new ATOM 0 HA ILE A 28 1.803 1.269 7.736 1.00 0.00 H new ATOM 0 HB ILE A 28 2.593 0.835 10.649 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.833 -1.037 8.269 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.164 -0.105 8.926 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.930 -0.980 10.597 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.182 0.605 10.292 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.477 -0.513 8.940 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.207 -2.403 9.762 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.920 -1.260 11.095 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.569 -2.206 10.428 1.00 0.00 H new ATOM 411 N ILE A 29 0.209 3.049 8.407 1.00 0.00 N ATOM 412 CA ILE A 29 -0.794 4.031 8.800 1.00 0.00 C ATOM 413 C ILE A 29 -2.201 3.455 8.687 1.00 0.00 C ATOM 414 O ILE A 29 -2.481 2.642 7.807 1.00 0.00 O ATOM 415 CB ILE A 29 -0.703 5.304 7.938 1.00 0.00 C ATOM 416 CG1 ILE A 29 -0.990 4.976 6.472 1.00 0.00 C ATOM 417 CG2 ILE A 29 0.670 5.945 8.084 1.00 0.00 C ATOM 418 CD1 ILE A 29 -1.390 6.182 5.650 1.00 0.00 C ATOM 0 H ILE A 29 0.096 2.686 7.460 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.592 4.290 9.839 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.454 6.014 8.285 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.103 4.523 6.029 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.786 4.233 6.423 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.719 6.844 7.469 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.839 6.210 9.128 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.437 5.241 7.760 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.578 5.875 4.621 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.295 6.624 6.068 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.586 6.917 5.668 1.00 0.00 H new ATOM 430 N GLU A 30 -3.084 3.884 9.584 1.00 0.00 N ATOM 431 CA GLU A 30 -4.464 3.411 9.584 1.00 0.00 C ATOM 432 C GLU A 30 -5.391 4.439 8.943 1.00 0.00 C ATOM 433 O GLU A 30 -5.580 5.536 9.469 1.00 0.00 O ATOM 434 CB GLU A 30 -4.924 3.113 11.013 1.00 0.00 C ATOM 435 CG GLU A 30 -4.647 1.687 11.457 1.00 0.00 C ATOM 436 CD GLU A 30 -4.437 1.572 12.954 1.00 0.00 C ATOM 437 OE1 GLU A 30 -3.377 2.016 13.441 1.00 0.00 O ATOM 438 OE2 GLU A 30 -5.335 1.038 13.639 1.00 0.00 O ATOM 0 H GLU A 30 -2.869 4.557 10.319 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.507 2.493 8.997 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.426 3.801 11.697 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.994 3.307 11.089 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.480 1.050 11.161 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.762 1.315 10.940 1.00 0.00 H new ATOM 445 N LEU A 31 -5.968 4.076 7.802 1.00 0.00 N ATOM 446 CA LEU A 31 -6.877 4.966 7.087 1.00 0.00 C ATOM 447 C LEU A 31 -8.287 4.385 7.046 1.00 0.00 C ATOM 448 O LEU A 31 -8.474 3.206 6.751 1.00 0.00 O ATOM 449 CB LEU A 31 -6.370 5.207 5.664 1.00 0.00 C ATOM 450 CG LEU A 31 -4.911 5.648 5.537 1.00 0.00 C ATOM 451 CD1 LEU A 31 -4.521 5.785 4.073 1.00 0.00 C ATOM 452 CD2 LEU A 31 -4.683 6.958 6.277 1.00 0.00 C ATOM 0 H LEU A 31 -5.823 3.172 7.352 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.911 5.916 7.620 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.502 4.288 5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.000 5.965 5.199 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.279 4.884 5.990 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.480 6.099 4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.645 4.825 3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.158 6.529 3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.640 7.256 6.176 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.324 7.731 5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.922 6.826 7.332 1.00 0.00 H new ATOM 464 N GLU A 32 -9.275 5.224 7.341 1.00 0.00 N ATOM 465 CA GLU A 32 -10.668 4.794 7.336 1.00 0.00 C ATOM 466 C GLU A 32 -11.334 5.122 6.003 1.00 0.00 C ATOM 467 O GLU A 32 -11.464 6.289 5.631 1.00 0.00 O ATOM 468 CB GLU A 32 -11.436 5.460 8.479 1.00 0.00 C ATOM 469 CG GLU A 32 -12.583 4.620 9.014 1.00 0.00 C ATOM 470 CD GLU A 32 -13.512 5.407 9.918 1.00 0.00 C ATOM 471 OE1 GLU A 32 -14.214 6.305 9.408 1.00 0.00 O ATOM 472 OE2 GLU A 32 -13.536 5.126 11.134 1.00 0.00 O ATOM 0 H GLU A 32 -9.137 6.204 7.586 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.687 3.713 7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.744 5.675 9.293 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.828 6.416 8.133 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.153 4.216 8.177 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.180 3.770 9.565 1.00 0.00 H new ATOM 479 N LYS A 33 -11.755 4.085 5.287 1.00 0.00 N ATOM 480 CA LYS A 33 -12.408 4.261 3.995 1.00 0.00 C ATOM 481 C LYS A 33 -13.377 5.438 4.031 1.00 0.00 C ATOM 482 O LYS A 33 -14.236 5.521 4.908 1.00 0.00 O ATOM 483 CB LYS A 33 -13.154 2.984 3.600 1.00 0.00 C ATOM 484 CG LYS A 33 -12.239 1.800 3.339 1.00 0.00 C ATOM 485 CD LYS A 33 -12.865 0.815 2.366 1.00 0.00 C ATOM 486 CE LYS A 33 -13.783 -0.166 3.079 1.00 0.00 C ATOM 487 NZ LYS A 33 -15.178 0.346 3.171 1.00 0.00 N ATOM 0 H LYS A 33 -11.656 3.113 5.580 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.638 4.470 3.252 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.855 2.723 4.393 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.744 3.180 2.705 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.289 2.154 2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.020 1.294 4.279 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.430 1.359 1.609 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.080 0.267 1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.780 -1.118 2.548 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.400 -0.359 4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.531 0.219 4.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.194 1.357 2.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -15.785 -0.180 2.510 1.00 0.00 H new ATOM 501 N ASP A 34 -13.233 6.346 3.072 1.00 0.00 N ATOM 502 CA ASP A 34 -14.097 7.518 2.992 1.00 0.00 C ATOM 503 C ASP A 34 -15.363 7.207 2.200 1.00 0.00 C ATOM 504 O ASP A 34 -15.529 6.102 1.682 1.00 0.00 O ATOM 505 CB ASP A 34 -13.350 8.686 2.346 1.00 0.00 C ATOM 506 CG ASP A 34 -14.000 10.023 2.641 1.00 0.00 C ATOM 507 OD1 ASP A 34 -14.115 10.377 3.834 1.00 0.00 O ATOM 508 OD2 ASP A 34 -14.394 10.716 1.680 1.00 0.00 O ATOM 0 H ASP A 34 -12.526 6.293 2.339 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.384 7.797 4.006 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.321 8.698 2.705 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.309 8.535 1.267 1.00 0.00 H new ATOM 513 N LYS A 35 -16.255 8.188 2.111 1.00 0.00 N ATOM 514 CA LYS A 35 -17.507 8.020 1.382 1.00 0.00 C ATOM 515 C LYS A 35 -17.312 7.122 0.165 1.00 0.00 C ATOM 516 O LYS A 35 -18.205 6.363 -0.208 1.00 0.00 O ATOM 517 CB LYS A 35 -18.051 9.381 0.943 1.00 0.00 C ATOM 518 CG LYS A 35 -19.497 9.337 0.479 1.00 0.00 C ATOM 519 CD LYS A 35 -20.449 9.103 1.639 1.00 0.00 C ATOM 520 CE LYS A 35 -20.878 10.413 2.282 1.00 0.00 C ATOM 521 NZ LYS A 35 -19.875 10.901 3.269 1.00 0.00 N ATOM 0 H LYS A 35 -16.134 9.108 2.535 1.00 0.00 H new ATOM 0 HA LYS A 35 -18.226 7.546 2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.966 10.082 1.773 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.430 9.767 0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -19.750 10.275 -0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -19.619 8.544 -0.259 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -21.329 8.565 1.286 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -19.967 8.471 2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -21.023 11.167 1.508 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -21.839 10.277 2.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -20.360 11.413 4.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -19.359 10.091 3.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -19.205 11.540 2.796 1.00 0.00 H new ATOM 535 N ASN A 36 -16.137 7.213 -0.450 1.00 0.00 N ATOM 536 CA ASN A 36 -15.825 6.408 -1.625 1.00 0.00 C ATOM 537 C ASN A 36 -14.800 5.329 -1.289 1.00 0.00 C ATOM 538 O ASN A 36 -14.716 4.305 -1.965 1.00 0.00 O ATOM 539 CB ASN A 36 -15.295 7.297 -2.752 1.00 0.00 C ATOM 540 CG ASN A 36 -16.410 7.896 -3.589 1.00 0.00 C ATOM 541 OD1 ASN A 36 -16.757 7.371 -4.647 1.00 0.00 O ATOM 542 ND2 ASN A 36 -16.976 9.000 -3.116 1.00 0.00 N ATOM 0 H ASN A 36 -15.386 7.836 -0.154 1.00 0.00 H new ATOM 0 HA ASN A 36 -16.743 5.922 -1.955 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -14.693 8.100 -2.326 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -14.637 6.712 -3.394 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -17.731 9.448 -3.635 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -16.655 9.400 -2.234 1.00 0.00 H new ATOM 549 N GLY A 37 -14.021 5.567 -0.237 1.00 0.00 N ATOM 550 CA GLY A 37 -13.012 4.608 0.171 1.00 0.00 C ATOM 551 C GLY A 37 -11.605 5.080 -0.134 1.00 0.00 C ATOM 552 O GLY A 37 -11.408 6.194 -0.623 1.00 0.00 O ATOM 0 H GLY A 37 -14.071 6.407 0.339 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.105 4.421 1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.191 3.660 -0.335 1.00 0.00 H new ATOM 556 N LEU A 38 -10.623 4.235 0.157 1.00 0.00 N ATOM 557 CA LEU A 38 -9.225 4.573 -0.088 1.00 0.00 C ATOM 558 C LEU A 38 -8.984 4.856 -1.567 1.00 0.00 C ATOM 559 O LEU A 38 -9.024 3.949 -2.397 1.00 0.00 O ATOM 560 CB LEU A 38 -8.315 3.436 0.381 1.00 0.00 C ATOM 561 CG LEU A 38 -8.624 2.854 1.761 1.00 0.00 C ATOM 562 CD1 LEU A 38 -7.621 1.769 2.120 1.00 0.00 C ATOM 563 CD2 LEU A 38 -8.625 3.952 2.815 1.00 0.00 C ATOM 0 H LEU A 38 -10.768 3.311 0.563 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.990 5.475 0.478 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.368 2.630 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.287 3.798 0.383 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.617 2.406 1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.857 1.367 3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.670 0.970 1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.616 2.192 2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.847 3.520 3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.646 4.430 2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.383 4.694 2.566 1.00 0.00 H new ATOM 575 N GLY A 39 -8.731 6.121 -1.889 1.00 0.00 N ATOM 576 CA GLY A 39 -8.485 6.500 -3.268 1.00 0.00 C ATOM 577 C GLY A 39 -7.008 6.665 -3.570 1.00 0.00 C ATOM 578 O GLY A 39 -6.390 7.650 -3.165 1.00 0.00 O ATOM 0 H GLY A 39 -8.692 6.890 -1.220 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.906 5.743 -3.930 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.003 7.435 -3.483 1.00 0.00 H new ATOM 582 N LEU A 40 -6.440 5.697 -4.281 1.00 0.00 N ATOM 583 CA LEU A 40 -5.025 5.739 -4.635 1.00 0.00 C ATOM 584 C LEU A 40 -4.796 5.166 -6.031 1.00 0.00 C ATOM 585 O LEU A 40 -5.319 4.104 -6.370 1.00 0.00 O ATOM 586 CB LEU A 40 -4.199 4.959 -3.610 1.00 0.00 C ATOM 587 CG LEU A 40 -4.350 5.399 -2.154 1.00 0.00 C ATOM 588 CD1 LEU A 40 -4.135 4.222 -1.215 1.00 0.00 C ATOM 589 CD2 LEU A 40 -3.375 6.523 -1.833 1.00 0.00 C ATOM 0 H LEU A 40 -6.937 4.874 -4.623 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.706 6.781 -4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.470 3.906 -3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.147 5.037 -3.885 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.364 5.771 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.246 4.555 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.872 3.447 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.133 3.819 -1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.496 6.824 -0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.354 6.176 -1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.575 7.375 -2.483 1.00 0.00 H new ATOM 601 N SER A 41 -4.010 5.875 -6.834 1.00 0.00 N ATOM 602 CA SER A 41 -3.713 5.439 -8.193 1.00 0.00 C ATOM 603 C SER A 41 -2.558 4.442 -8.204 1.00 0.00 C ATOM 604 O SER A 41 -1.399 4.816 -8.021 1.00 0.00 O ATOM 605 CB SER A 41 -3.372 6.641 -9.075 1.00 0.00 C ATOM 606 OG SER A 41 -4.462 7.544 -9.151 1.00 0.00 O ATOM 0 H SER A 41 -3.567 6.754 -6.567 1.00 0.00 H new ATOM 0 HA SER A 41 -4.600 4.946 -8.591 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.498 7.154 -8.674 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.109 6.299 -10.076 1.00 0.00 H new ATOM 0 HG SER A 41 -4.218 8.304 -9.719 1.00 0.00 H new ATOM 612 N LEU A 42 -2.883 3.172 -8.418 1.00 0.00 N ATOM 613 CA LEU A 42 -1.873 2.120 -8.453 1.00 0.00 C ATOM 614 C LEU A 42 -1.381 1.884 -9.877 1.00 0.00 C ATOM 615 O LEU A 42 -2.106 2.120 -10.842 1.00 0.00 O ATOM 616 CB LEU A 42 -2.442 0.822 -7.876 1.00 0.00 C ATOM 617 CG LEU A 42 -3.223 0.954 -6.568 1.00 0.00 C ATOM 618 CD1 LEU A 42 -3.830 -0.383 -6.172 1.00 0.00 C ATOM 619 CD2 LEU A 42 -2.323 1.482 -5.461 1.00 0.00 C ATOM 0 H LEU A 42 -3.837 2.846 -8.570 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.027 2.442 -7.845 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.096 0.372 -8.623 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.618 0.127 -7.715 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.033 1.667 -6.721 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.382 -0.270 -5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.508 -0.721 -6.956 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.036 -1.117 -6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.895 1.570 -4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.492 0.794 -5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.936 2.461 -5.743 1.00 0.00 H new ATOM 631 N ALA A 43 -0.143 1.414 -9.999 1.00 0.00 N ATOM 632 CA ALA A 43 0.445 1.142 -11.305 1.00 0.00 C ATOM 633 C ALA A 43 1.553 0.100 -11.202 1.00 0.00 C ATOM 634 O ALA A 43 2.513 0.273 -10.451 1.00 0.00 O ATOM 635 CB ALA A 43 0.981 2.427 -11.920 1.00 0.00 C ATOM 0 H ALA A 43 0.471 1.214 -9.210 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.336 0.741 -11.951 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.417 2.209 -12.895 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.166 3.141 -12.038 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.744 2.852 -11.268 1.00 0.00 H new ATOM 641 N GLY A 44 1.413 -0.983 -11.960 1.00 0.00 N ATOM 642 CA GLY A 44 2.410 -2.038 -11.938 1.00 0.00 C ATOM 643 C GLY A 44 3.811 -1.516 -12.188 1.00 0.00 C ATOM 644 O GLY A 44 3.991 -0.486 -12.835 1.00 0.00 O ATOM 0 H GLY A 44 0.627 -1.149 -12.589 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.380 -2.542 -10.972 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.163 -2.783 -12.694 1.00 0.00 H new ATOM 648 N ASN A 45 4.807 -2.229 -11.671 1.00 0.00 N ATOM 649 CA ASN A 45 6.200 -1.831 -11.840 1.00 0.00 C ATOM 650 C ASN A 45 6.533 -1.631 -13.315 1.00 0.00 C ATOM 651 O ASN A 45 5.904 -2.224 -14.192 1.00 0.00 O ATOM 652 CB ASN A 45 7.130 -2.884 -11.234 1.00 0.00 C ATOM 653 CG ASN A 45 8.586 -2.462 -11.276 1.00 0.00 C ATOM 654 OD1 ASN A 45 9.137 -2.199 -12.345 1.00 0.00 O ATOM 655 ND2 ASN A 45 9.217 -2.396 -10.109 1.00 0.00 N ATOM 0 H ASN A 45 4.675 -3.085 -11.132 1.00 0.00 H new ATOM 0 HA ASN A 45 6.347 -0.884 -11.321 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.838 -3.071 -10.200 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.011 -3.824 -11.774 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.198 -2.118 -10.075 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.721 -2.623 -9.247 1.00 0.00 H new ATOM 662 N LYS A 46 7.527 -0.790 -13.583 1.00 0.00 N ATOM 663 CA LYS A 46 7.947 -0.512 -14.951 1.00 0.00 C ATOM 664 C LYS A 46 7.876 -1.771 -15.809 1.00 0.00 C ATOM 665 O LYS A 46 7.568 -1.706 -16.999 1.00 0.00 O ATOM 666 CB LYS A 46 9.371 0.049 -14.965 1.00 0.00 C ATOM 667 CG LYS A 46 9.529 1.328 -14.163 1.00 0.00 C ATOM 668 CD LYS A 46 10.958 1.510 -13.678 1.00 0.00 C ATOM 669 CE LYS A 46 11.794 2.283 -14.686 1.00 0.00 C ATOM 670 NZ LYS A 46 12.457 1.380 -15.667 1.00 0.00 N ATOM 0 H LYS A 46 8.057 -0.289 -12.870 1.00 0.00 H new ATOM 0 HA LYS A 46 7.267 0.230 -15.370 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.053 -0.704 -14.570 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.668 0.238 -15.997 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.241 2.181 -14.777 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.853 1.308 -13.308 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.955 2.038 -12.725 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.410 0.534 -13.501 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.159 2.992 -15.217 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.550 2.865 -14.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.017 1.946 -16.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.083 0.720 -15.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.735 0.843 -16.188 1.00 0.00 H new ATOM 684 N ASP A 47 8.162 -2.915 -15.197 1.00 0.00 N ATOM 685 CA ASP A 47 8.128 -4.190 -15.905 1.00 0.00 C ATOM 686 C ASP A 47 6.899 -5.000 -15.505 1.00 0.00 C ATOM 687 O ASP A 47 6.433 -4.920 -14.369 1.00 0.00 O ATOM 688 CB ASP A 47 9.398 -4.991 -15.617 1.00 0.00 C ATOM 689 CG ASP A 47 10.620 -4.404 -16.297 1.00 0.00 C ATOM 690 OD1 ASP A 47 10.624 -4.324 -17.542 1.00 0.00 O ATOM 691 OD2 ASP A 47 11.572 -4.025 -15.583 1.00 0.00 O ATOM 0 H ASP A 47 8.420 -2.986 -14.213 1.00 0.00 H new ATOM 0 HA ASP A 47 8.073 -3.983 -16.974 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.566 -5.025 -14.541 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.259 -6.019 -15.951 1.00 0.00 H new ATOM 696 N ARG A 48 6.378 -5.779 -16.448 1.00 0.00 N ATOM 697 CA ARG A 48 5.202 -6.602 -16.195 1.00 0.00 C ATOM 698 C ARG A 48 5.598 -7.947 -15.591 1.00 0.00 C ATOM 699 O ARG A 48 4.742 -8.745 -15.211 1.00 0.00 O ATOM 700 CB ARG A 48 4.420 -6.824 -17.491 1.00 0.00 C ATOM 701 CG ARG A 48 5.267 -7.375 -18.627 1.00 0.00 C ATOM 702 CD ARG A 48 5.784 -6.263 -19.526 1.00 0.00 C ATOM 703 NE ARG A 48 4.883 -6.000 -20.645 1.00 0.00 N ATOM 704 CZ ARG A 48 5.274 -5.452 -21.790 1.00 0.00 C ATOM 705 NH1 ARG A 48 6.543 -5.112 -21.966 1.00 0.00 N ATOM 706 NH2 ARG A 48 4.395 -5.245 -22.762 1.00 0.00 N ATOM 0 H ARG A 48 6.752 -5.857 -17.394 1.00 0.00 H new ATOM 0 HA ARG A 48 4.568 -6.075 -15.481 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.597 -7.512 -17.296 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.977 -5.879 -17.805 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.108 -7.934 -18.217 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.676 -8.076 -19.216 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.910 -5.352 -18.940 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.768 -6.534 -19.909 1.00 0.00 H new ATOM 0 HE ARG A 48 3.900 -6.251 -20.542 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.222 -5.271 -21.221 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.841 -4.691 -22.846 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.418 -5.507 -22.630 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.696 -4.824 -23.641 1.00 0.00 H new ATOM 720 N SER A 49 6.902 -8.190 -15.506 1.00 0.00 N ATOM 721 CA SER A 49 7.413 -9.439 -14.953 1.00 0.00 C ATOM 722 C SER A 49 7.531 -9.352 -13.434 1.00 0.00 C ATOM 723 O SER A 49 7.476 -10.365 -12.738 1.00 0.00 O ATOM 724 CB SER A 49 8.775 -9.772 -15.564 1.00 0.00 C ATOM 725 OG SER A 49 8.628 -10.439 -16.805 1.00 0.00 O ATOM 0 H SER A 49 7.624 -7.538 -15.813 1.00 0.00 H new ATOM 0 HA SER A 49 6.708 -10.233 -15.200 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.347 -8.855 -15.706 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.342 -10.399 -14.876 1.00 0.00 H new ATOM 0 HG SER A 49 9.513 -10.639 -17.176 1.00 0.00 H new ATOM 731 N ARG A 50 7.694 -8.133 -12.929 1.00 0.00 N ATOM 732 CA ARG A 50 7.822 -7.913 -11.493 1.00 0.00 C ATOM 733 C ARG A 50 6.474 -7.548 -10.878 1.00 0.00 C ATOM 734 O ARG A 50 6.082 -6.382 -10.864 1.00 0.00 O ATOM 735 CB ARG A 50 8.839 -6.805 -11.214 1.00 0.00 C ATOM 736 CG ARG A 50 10.283 -7.251 -11.367 1.00 0.00 C ATOM 737 CD ARG A 50 11.252 -6.132 -11.019 1.00 0.00 C ATOM 738 NE ARG A 50 12.531 -6.645 -10.535 1.00 0.00 N ATOM 739 CZ ARG A 50 12.732 -7.059 -9.289 1.00 0.00 C ATOM 740 NH1 ARG A 50 11.743 -7.020 -8.406 1.00 0.00 N ATOM 741 NH2 ARG A 50 13.924 -7.513 -8.924 1.00 0.00 N ATOM 0 H ARG A 50 7.740 -7.284 -13.492 1.00 0.00 H new ATOM 0 HA ARG A 50 8.171 -8.840 -11.038 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.651 -5.972 -11.892 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.688 -6.432 -10.201 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.470 -8.109 -10.722 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.457 -7.579 -12.392 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.420 -5.512 -11.899 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.807 -5.491 -10.258 1.00 0.00 H new ATOM 0 HE ARG A 50 13.312 -6.688 -11.189 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.825 -6.671 -8.683 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.900 -7.339 -7.450 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.687 -7.544 -9.600 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.078 -7.831 -7.967 1.00 0.00 H new ATOM 755 N MET A 51 5.770 -8.554 -10.369 1.00 0.00 N ATOM 756 CA MET A 51 4.467 -8.339 -9.751 1.00 0.00 C ATOM 757 C MET A 51 4.596 -7.489 -8.491 1.00 0.00 C ATOM 758 O MET A 51 4.914 -8.000 -7.417 1.00 0.00 O ATOM 759 CB MET A 51 3.812 -9.679 -9.412 1.00 0.00 C ATOM 760 CG MET A 51 2.292 -9.635 -9.427 1.00 0.00 C ATOM 761 SD MET A 51 1.603 -10.016 -11.049 1.00 0.00 S ATOM 762 CE MET A 51 1.093 -8.387 -11.591 1.00 0.00 C ATOM 0 H MET A 51 6.080 -9.526 -10.372 1.00 0.00 H new ATOM 0 HA MET A 51 3.838 -7.806 -10.464 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.152 -10.431 -10.124 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.148 -9.999 -8.426 1.00 0.00 H new ATOM 0 HG2 MET A 51 1.904 -10.345 -8.696 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.958 -8.645 -9.118 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.013 -8.289 -11.484 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.588 -7.630 -10.983 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.368 -8.249 -12.637 1.00 0.00 H new ATOM 772 N SER A 52 4.348 -6.191 -8.630 1.00 0.00 N ATOM 773 CA SER A 52 4.441 -5.270 -7.503 1.00 0.00 C ATOM 774 C SER A 52 3.441 -4.128 -7.651 1.00 0.00 C ATOM 775 O SER A 52 3.071 -3.753 -8.764 1.00 0.00 O ATOM 776 CB SER A 52 5.860 -4.709 -7.392 1.00 0.00 C ATOM 777 OG SER A 52 6.668 -5.526 -6.562 1.00 0.00 O ATOM 0 H SER A 52 4.081 -5.753 -9.512 1.00 0.00 H new ATOM 0 HA SER A 52 4.204 -5.822 -6.594 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.306 -4.640 -8.384 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.824 -3.697 -6.988 1.00 0.00 H new ATOM 0 HG SER A 52 6.372 -6.458 -6.632 1.00 0.00 H new ATOM 783 N ILE A 53 3.007 -3.580 -6.521 1.00 0.00 N ATOM 784 CA ILE A 53 2.050 -2.480 -6.525 1.00 0.00 C ATOM 785 C ILE A 53 2.668 -1.212 -5.943 1.00 0.00 C ATOM 786 O ILE A 53 3.332 -1.251 -4.907 1.00 0.00 O ATOM 787 CB ILE A 53 0.783 -2.834 -5.724 1.00 0.00 C ATOM 788 CG1 ILE A 53 0.187 -4.150 -6.227 1.00 0.00 C ATOM 789 CG2 ILE A 53 -0.238 -1.710 -5.825 1.00 0.00 C ATOM 790 CD1 ILE A 53 -0.796 -4.776 -5.262 1.00 0.00 C ATOM 0 H ILE A 53 3.302 -3.879 -5.592 1.00 0.00 H new ATOM 0 HA ILE A 53 1.775 -2.304 -7.565 1.00 0.00 H new ATOM 0 HB ILE A 53 1.055 -2.958 -4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.314 -3.972 -7.179 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.995 -4.856 -6.419 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.128 -1.974 -5.254 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.191 -0.792 -5.424 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.509 -1.558 -6.870 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.178 -5.705 -5.684 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.295 -4.986 -4.317 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.624 -4.089 -5.089 1.00 0.00 H new ATOM 802 N PHE A 54 2.443 -0.089 -6.616 1.00 0.00 N ATOM 803 CA PHE A 54 2.977 1.192 -6.167 1.00 0.00 C ATOM 804 C PHE A 54 1.883 2.255 -6.134 1.00 0.00 C ATOM 805 O PHE A 54 0.757 2.018 -6.571 1.00 0.00 O ATOM 806 CB PHE A 54 4.117 1.643 -7.082 1.00 0.00 C ATOM 807 CG PHE A 54 5.309 0.730 -7.051 1.00 0.00 C ATOM 808 CD1 PHE A 54 6.067 0.598 -5.899 1.00 0.00 C ATOM 809 CD2 PHE A 54 5.671 0.003 -8.174 1.00 0.00 C ATOM 810 CE1 PHE A 54 7.164 -0.242 -5.866 1.00 0.00 C ATOM 811 CE2 PHE A 54 6.767 -0.838 -8.147 1.00 0.00 C ATOM 812 CZ PHE A 54 7.515 -0.960 -6.992 1.00 0.00 C ATOM 0 H PHE A 54 1.894 -0.040 -7.475 1.00 0.00 H new ATOM 0 HA PHE A 54 3.363 1.062 -5.156 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.746 1.709 -8.105 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.430 2.646 -6.791 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.797 1.158 -5.016 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.090 0.095 -9.080 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.746 -0.337 -4.961 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.039 -1.400 -9.028 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.373 -1.616 -6.970 1.00 0.00 H new ATOM 822 N VAL A 55 2.224 3.430 -5.613 1.00 0.00 N ATOM 823 CA VAL A 55 1.272 4.531 -5.523 1.00 0.00 C ATOM 824 C VAL A 55 1.746 5.733 -6.332 1.00 0.00 C ATOM 825 O VAL A 55 2.521 6.556 -5.846 1.00 0.00 O ATOM 826 CB VAL A 55 1.051 4.964 -4.062 1.00 0.00 C ATOM 827 CG1 VAL A 55 0.077 6.131 -3.992 1.00 0.00 C ATOM 828 CG2 VAL A 55 0.554 3.793 -3.229 1.00 0.00 C ATOM 0 H VAL A 55 3.152 3.644 -5.247 1.00 0.00 H new ATOM 0 HA VAL A 55 0.329 4.169 -5.933 1.00 0.00 H new ATOM 0 HB VAL A 55 2.005 5.294 -3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.067 6.423 -2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.479 6.974 -4.554 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.880 5.833 -4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.403 4.117 -2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.389 3.431 -3.637 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.292 2.991 -3.253 1.00 0.00 H new ATOM 838 N VAL A 56 1.274 5.829 -7.571 1.00 0.00 N ATOM 839 CA VAL A 56 1.647 6.932 -8.449 1.00 0.00 C ATOM 840 C VAL A 56 0.630 8.065 -8.371 1.00 0.00 C ATOM 841 O VAL A 56 0.540 8.895 -9.275 1.00 0.00 O ATOM 842 CB VAL A 56 1.772 6.468 -9.912 1.00 0.00 C ATOM 843 CG1 VAL A 56 2.747 5.306 -10.023 1.00 0.00 C ATOM 844 CG2 VAL A 56 0.408 6.084 -10.467 1.00 0.00 C ATOM 0 H VAL A 56 0.632 5.156 -7.990 1.00 0.00 H new ATOM 0 HA VAL A 56 2.617 7.294 -8.107 1.00 0.00 H new ATOM 0 HB VAL A 56 2.161 7.296 -10.505 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.822 4.992 -11.064 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.728 5.619 -9.667 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.390 4.473 -9.418 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.515 5.759 -11.502 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.011 5.272 -9.873 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.258 6.946 -10.425 1.00 0.00 H new ATOM 854 N GLY A 57 -0.135 8.092 -7.284 1.00 0.00 N ATOM 855 CA GLY A 57 -1.137 9.128 -7.108 1.00 0.00 C ATOM 856 C GLY A 57 -1.974 8.919 -5.862 1.00 0.00 C ATOM 857 O GLY A 57 -2.178 7.785 -5.426 1.00 0.00 O ATOM 0 H GLY A 57 -0.079 7.416 -6.522 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.645 10.099 -7.053 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.790 9.150 -7.981 1.00 0.00 H new ATOM 861 N ILE A 58 -2.458 10.014 -5.286 1.00 0.00 N ATOM 862 CA ILE A 58 -3.277 9.945 -4.082 1.00 0.00 C ATOM 863 C ILE A 58 -4.519 10.820 -4.211 1.00 0.00 C ATOM 864 O ILE A 58 -4.447 12.041 -4.080 1.00 0.00 O ATOM 865 CB ILE A 58 -2.484 10.380 -2.836 1.00 0.00 C ATOM 866 CG1 ILE A 58 -1.337 9.404 -2.568 1.00 0.00 C ATOM 867 CG2 ILE A 58 -3.403 10.470 -1.627 1.00 0.00 C ATOM 868 CD1 ILE A 58 -0.390 9.867 -1.483 1.00 0.00 C ATOM 0 H ILE A 58 -2.297 10.959 -5.633 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.579 8.904 -3.965 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.061 11.367 -3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.752 8.436 -2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.775 9.255 -3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.827 10.779 -0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.188 11.201 -1.821 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.853 9.495 -1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.398 9.126 -1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.054 10.820 -1.770 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.939 9.989 -0.549 1.00 0.00 H new ATOM 880 N ASN A 59 -5.659 10.185 -4.467 1.00 0.00 N ATOM 881 CA ASN A 59 -6.919 10.906 -4.613 1.00 0.00 C ATOM 882 C ASN A 59 -7.041 12.005 -3.562 1.00 0.00 C ATOM 883 O ASN A 59 -7.051 11.749 -2.358 1.00 0.00 O ATOM 884 CB ASN A 59 -8.099 9.940 -4.496 1.00 0.00 C ATOM 885 CG ASN A 59 -9.330 10.439 -5.229 1.00 0.00 C ATOM 886 OD1 ASN A 59 -9.444 11.626 -5.536 1.00 0.00 O ATOM 887 ND2 ASN A 59 -10.258 9.533 -5.512 1.00 0.00 N ATOM 0 H ASN A 59 -5.736 9.174 -4.577 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.933 11.368 -5.600 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.810 8.968 -4.896 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.341 9.792 -3.444 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.108 9.810 -6.003 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.121 8.560 -5.238 1.00 0.00 H new ATOM 894 N PRO A 60 -7.137 13.260 -4.027 1.00 0.00 N ATOM 895 CA PRO A 60 -7.262 14.423 -3.144 1.00 0.00 C ATOM 896 C PRO A 60 -8.614 14.476 -2.441 1.00 0.00 C ATOM 897 O PRO A 60 -8.813 15.263 -1.517 1.00 0.00 O ATOM 898 CB PRO A 60 -7.108 15.611 -4.098 1.00 0.00 C ATOM 899 CG PRO A 60 -7.536 15.087 -5.426 1.00 0.00 C ATOM 900 CD PRO A 60 -7.131 13.639 -5.449 1.00 0.00 C ATOM 0 HA PRO A 60 -6.525 14.405 -2.341 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -7.727 16.452 -3.786 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.078 15.966 -4.126 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.613 15.193 -5.559 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -7.059 15.639 -6.236 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.830 13.036 -6.029 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.146 13.504 -5.897 1.00 0.00 H new ATOM 908 N GLU A 61 -9.540 13.632 -2.887 1.00 0.00 N ATOM 909 CA GLU A 61 -10.874 13.584 -2.300 1.00 0.00 C ATOM 910 C GLU A 61 -11.031 12.359 -1.404 1.00 0.00 C ATOM 911 O GLU A 61 -12.024 12.219 -0.692 1.00 0.00 O ATOM 912 CB GLU A 61 -11.939 13.565 -3.399 1.00 0.00 C ATOM 913 CG GLU A 61 -12.000 14.849 -4.209 1.00 0.00 C ATOM 914 CD GLU A 61 -13.107 14.833 -5.244 1.00 0.00 C ATOM 915 OE1 GLU A 61 -14.259 14.520 -4.876 1.00 0.00 O ATOM 916 OE2 GLU A 61 -12.823 15.134 -6.423 1.00 0.00 O ATOM 0 H GLU A 61 -9.391 12.973 -3.652 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.007 14.478 -1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.741 12.730 -4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.914 13.385 -2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.150 15.693 -3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.044 15.005 -4.708 1.00 0.00 H new ATOM 923 N GLY A 62 -10.040 11.472 -1.445 1.00 0.00 N ATOM 924 CA GLY A 62 -10.087 10.270 -0.634 1.00 0.00 C ATOM 925 C GLY A 62 -9.495 10.478 0.746 1.00 0.00 C ATOM 926 O GLY A 62 -9.049 11.571 1.095 1.00 0.00 O ATOM 0 H GLY A 62 -9.206 11.565 -2.025 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.122 9.942 -0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.546 9.472 -1.142 1.00 0.00 H new ATOM 930 N PRO A 63 -9.488 9.411 1.558 1.00 0.00 N ATOM 931 CA PRO A 63 -8.951 9.457 2.921 1.00 0.00 C ATOM 932 C PRO A 63 -7.433 9.605 2.942 1.00 0.00 C ATOM 933 O PRO A 63 -6.893 10.460 3.643 1.00 0.00 O ATOM 934 CB PRO A 63 -9.364 8.107 3.512 1.00 0.00 C ATOM 935 CG PRO A 63 -9.512 7.208 2.333 1.00 0.00 C ATOM 936 CD PRO A 63 -10.004 8.077 1.208 1.00 0.00 C ATOM 0 HA PRO A 63 -9.328 10.315 3.478 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.611 7.731 4.205 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.298 8.187 4.069 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -8.561 6.740 2.077 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.217 6.404 2.542 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.624 7.739 0.244 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.092 8.071 1.142 1.00 0.00 H new ATOM 944 N ALA A 64 -6.751 8.768 2.168 1.00 0.00 N ATOM 945 CA ALA A 64 -5.296 8.808 2.095 1.00 0.00 C ATOM 946 C ALA A 64 -4.791 10.243 1.990 1.00 0.00 C ATOM 947 O ALA A 64 -3.819 10.618 2.645 1.00 0.00 O ATOM 948 CB ALA A 64 -4.804 7.985 0.914 1.00 0.00 C ATOM 0 H ALA A 64 -7.183 8.053 1.582 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.899 8.377 3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.716 8.024 0.872 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.126 6.950 1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.218 8.390 -0.009 1.00 0.00 H new ATOM 954 N ALA A 65 -5.457 11.040 1.162 1.00 0.00 N ATOM 955 CA ALA A 65 -5.075 12.434 0.972 1.00 0.00 C ATOM 956 C ALA A 65 -5.243 13.230 2.262 1.00 0.00 C ATOM 957 O ALA A 65 -4.390 14.042 2.617 1.00 0.00 O ATOM 958 CB ALA A 65 -5.897 13.059 -0.146 1.00 0.00 C ATOM 0 H ALA A 65 -6.264 10.745 0.612 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.022 12.461 0.693 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.601 14.100 -0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.724 12.513 -1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.955 13.012 0.111 1.00 0.00 H new ATOM 964 N ALA A 66 -6.349 12.991 2.960 1.00 0.00 N ATOM 965 CA ALA A 66 -6.628 13.684 4.211 1.00 0.00 C ATOM 966 C ALA A 66 -5.586 13.343 5.272 1.00 0.00 C ATOM 967 O ALA A 66 -5.182 14.200 6.057 1.00 0.00 O ATOM 968 CB ALA A 66 -8.023 13.335 4.709 1.00 0.00 C ATOM 0 H ALA A 66 -7.066 12.322 2.680 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.579 14.756 4.021 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.217 13.860 5.644 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.761 13.635 3.965 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.092 12.260 4.875 1.00 0.00 H new ATOM 974 N ASP A 67 -5.155 12.086 5.288 1.00 0.00 N ATOM 975 CA ASP A 67 -4.160 11.632 6.252 1.00 0.00 C ATOM 976 C ASP A 67 -2.821 12.323 6.017 1.00 0.00 C ATOM 977 O ASP A 67 -2.210 12.849 6.947 1.00 0.00 O ATOM 978 CB ASP A 67 -3.987 10.115 6.163 1.00 0.00 C ATOM 979 CG ASP A 67 -3.497 9.510 7.464 1.00 0.00 C ATOM 980 OD1 ASP A 67 -4.042 9.870 8.528 1.00 0.00 O ATOM 981 OD2 ASP A 67 -2.569 8.676 7.417 1.00 0.00 O ATOM 0 H ASP A 67 -5.479 11.364 4.644 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.513 11.892 7.250 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.939 9.659 5.890 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.280 9.879 5.367 1.00 0.00 H new ATOM 986 N GLY A 68 -2.369 12.318 4.767 1.00 0.00 N ATOM 987 CA GLY A 68 -1.104 12.947 4.432 1.00 0.00 C ATOM 988 C GLY A 68 0.073 12.007 4.602 1.00 0.00 C ATOM 989 O GLY A 68 1.119 12.194 3.981 1.00 0.00 O ATOM 0 H GLY A 68 -2.856 11.890 3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.138 13.299 3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.959 13.824 5.063 1.00 0.00 H new ATOM 993 N ARG A 69 -0.096 10.996 5.447 1.00 0.00 N ATOM 994 CA ARG A 69 0.962 10.025 5.699 1.00 0.00 C ATOM 995 C ARG A 69 1.408 9.358 4.401 1.00 0.00 C ATOM 996 O ARG A 69 2.604 9.220 4.142 1.00 0.00 O ATOM 997 CB ARG A 69 0.485 8.964 6.692 1.00 0.00 C ATOM 998 CG ARG A 69 -0.084 9.544 7.977 1.00 0.00 C ATOM 999 CD ARG A 69 0.932 10.423 8.689 1.00 0.00 C ATOM 1000 NE ARG A 69 2.185 9.716 8.942 1.00 0.00 N ATOM 1001 CZ ARG A 69 3.093 10.123 9.822 1.00 0.00 C ATOM 1002 NH1 ARG A 69 2.889 11.225 10.530 1.00 0.00 N ATOM 1003 NH2 ARG A 69 4.209 9.425 9.995 1.00 0.00 N ATOM 0 H ARG A 69 -0.956 10.828 5.969 1.00 0.00 H new ATOM 0 HA ARG A 69 1.813 10.556 6.126 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.276 8.347 6.214 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.320 8.307 6.938 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.976 10.128 7.750 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.392 8.734 8.638 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.131 11.309 8.086 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.513 10.768 9.634 1.00 0.00 H new ATOM 0 HE ARG A 69 2.373 8.864 8.414 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.033 11.763 10.400 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.588 11.534 11.205 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.369 8.576 9.452 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.906 9.737 10.671 1.00 0.00 H new ATOM 1017 N MET A 70 0.440 8.947 3.590 1.00 0.00 N ATOM 1018 CA MET A 70 0.733 8.295 2.319 1.00 0.00 C ATOM 1019 C MET A 70 1.282 9.297 1.308 1.00 0.00 C ATOM 1020 O MET A 70 0.889 10.464 1.301 1.00 0.00 O ATOM 1021 CB MET A 70 -0.525 7.627 1.761 1.00 0.00 C ATOM 1022 CG MET A 70 -0.762 6.228 2.305 1.00 0.00 C ATOM 1023 SD MET A 70 -1.700 5.190 1.168 1.00 0.00 S ATOM 1024 CE MET A 70 -0.378 4.282 0.370 1.00 0.00 C ATOM 0 H MET A 70 -0.555 9.054 3.790 1.00 0.00 H new ATOM 0 HA MET A 70 1.491 7.532 2.497 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.390 8.249 1.992 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.449 7.578 0.675 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.198 5.756 2.514 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.296 6.297 3.253 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.763 3.787 -0.521 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.418 4.971 0.087 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.017 3.535 1.058 1.00 0.00 H new ATOM 1034 N ARG A 71 2.190 8.835 0.455 1.00 0.00 N ATOM 1035 CA ARG A 71 2.793 9.691 -0.559 1.00 0.00 C ATOM 1036 C ARG A 71 3.029 8.919 -1.853 1.00 0.00 C ATOM 1037 O ARG A 71 2.960 7.689 -1.875 1.00 0.00 O ATOM 1038 CB ARG A 71 4.115 10.269 -0.049 1.00 0.00 C ATOM 1039 CG ARG A 71 3.940 11.405 0.945 1.00 0.00 C ATOM 1040 CD ARG A 71 5.093 12.393 0.870 1.00 0.00 C ATOM 1041 NE ARG A 71 6.391 11.723 0.889 1.00 0.00 N ATOM 1042 CZ ARG A 71 7.517 12.289 0.470 1.00 0.00 C ATOM 1043 NH1 ARG A 71 7.504 13.529 0.001 1.00 0.00 N ATOM 1044 NH2 ARG A 71 8.658 11.615 0.519 1.00 0.00 N ATOM 0 H ARG A 71 2.525 7.871 0.446 1.00 0.00 H new ATOM 0 HA ARG A 71 2.102 10.508 -0.765 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.693 9.473 0.420 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.697 10.627 -0.898 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.002 11.923 0.746 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.872 10.999 1.954 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.004 12.985 -0.041 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.031 13.087 1.708 1.00 0.00 H new ATOM 0 HE ARG A 71 6.435 10.768 1.244 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.628 14.050 -0.039 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.370 13.962 -0.320 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.672 10.661 0.879 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.522 12.051 0.197 1.00 0.00 H new ATOM 1058 N ILE A 72 3.306 9.647 -2.929 1.00 0.00 N ATOM 1059 CA ILE A 72 3.552 9.030 -4.226 1.00 0.00 C ATOM 1060 C ILE A 72 4.867 8.259 -4.228 1.00 0.00 C ATOM 1061 O ILE A 72 5.936 8.834 -4.031 1.00 0.00 O ATOM 1062 CB ILE A 72 3.585 10.081 -5.352 1.00 0.00 C ATOM 1063 CG1 ILE A 72 2.411 11.051 -5.209 1.00 0.00 C ATOM 1064 CG2 ILE A 72 3.553 9.400 -6.713 1.00 0.00 C ATOM 1065 CD1 ILE A 72 1.110 10.376 -4.834 1.00 0.00 C ATOM 0 H ILE A 72 3.366 10.665 -2.928 1.00 0.00 H new ATOM 0 HA ILE A 72 2.729 8.339 -4.408 1.00 0.00 H new ATOM 0 HB ILE A 72 4.512 10.648 -5.272 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.656 11.796 -4.452 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.276 11.586 -6.149 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.577 10.155 -7.498 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.419 8.745 -6.813 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.640 8.811 -6.804 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.322 11.125 -4.750 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.841 9.651 -5.603 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.228 9.865 -3.879 1.00 0.00 H new ATOM 1077 N GLY A 73 4.780 6.951 -4.453 1.00 0.00 N ATOM 1078 CA GLY A 73 5.970 6.121 -4.477 1.00 0.00 C ATOM 1079 C GLY A 73 5.865 4.929 -3.548 1.00 0.00 C ATOM 1080 O GLY A 73 6.574 3.937 -3.717 1.00 0.00 O ATOM 0 H GLY A 73 3.906 6.452 -4.619 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.144 5.770 -5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.834 6.722 -4.195 1.00 0.00 H new ATOM 1084 N ASP A 74 4.979 5.025 -2.562 1.00 0.00 N ATOM 1085 CA ASP A 74 4.784 3.946 -1.602 1.00 0.00 C ATOM 1086 C ASP A 74 4.472 2.633 -2.314 1.00 0.00 C ATOM 1087 O ASP A 74 3.953 2.630 -3.430 1.00 0.00 O ATOM 1088 CB ASP A 74 3.653 4.295 -0.633 1.00 0.00 C ATOM 1089 CG ASP A 74 4.008 5.453 0.279 1.00 0.00 C ATOM 1090 OD1 ASP A 74 5.208 5.623 0.583 1.00 0.00 O ATOM 1091 OD2 ASP A 74 3.087 6.190 0.688 1.00 0.00 O ATOM 0 H ASP A 74 4.385 5.839 -2.407 1.00 0.00 H new ATOM 0 HA ASP A 74 5.710 3.823 -1.040 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.757 4.545 -1.200 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.414 3.420 -0.028 1.00 0.00 H new ATOM 1096 N GLU A 75 4.794 1.521 -1.662 1.00 0.00 N ATOM 1097 CA GLU A 75 4.551 0.202 -2.236 1.00 0.00 C ATOM 1098 C GLU A 75 3.737 -0.665 -1.279 1.00 0.00 C ATOM 1099 O GLU A 75 4.281 -1.264 -0.350 1.00 0.00 O ATOM 1100 CB GLU A 75 5.876 -0.488 -2.565 1.00 0.00 C ATOM 1101 CG GLU A 75 5.739 -1.980 -2.817 1.00 0.00 C ATOM 1102 CD GLU A 75 7.047 -2.625 -3.231 1.00 0.00 C ATOM 1103 OE1 GLU A 75 7.375 -2.578 -4.436 1.00 0.00 O ATOM 1104 OE2 GLU A 75 7.743 -3.175 -2.353 1.00 0.00 O ATOM 0 H GLU A 75 5.223 1.506 -0.737 1.00 0.00 H new ATOM 0 HA GLU A 75 3.981 0.333 -3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.312 -0.018 -3.446 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.573 -0.330 -1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.369 -2.465 -1.913 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.994 -2.146 -3.595 1.00 0.00 H new ATOM 1111 N LEU A 76 2.431 -0.727 -1.512 1.00 0.00 N ATOM 1112 CA LEU A 76 1.540 -1.520 -0.672 1.00 0.00 C ATOM 1113 C LEU A 76 2.061 -2.946 -0.521 1.00 0.00 C ATOM 1114 O LEU A 76 2.277 -3.647 -1.510 1.00 0.00 O ATOM 1115 CB LEU A 76 0.131 -1.540 -1.265 1.00 0.00 C ATOM 1116 CG LEU A 76 -0.623 -0.209 -1.249 1.00 0.00 C ATOM 1117 CD1 LEU A 76 -1.976 -0.355 -1.927 1.00 0.00 C ATOM 1118 CD2 LEU A 76 -0.791 0.292 0.178 1.00 0.00 C ATOM 0 H LEU A 76 1.965 -0.237 -2.276 1.00 0.00 H new ATOM 0 HA LEU A 76 1.505 -1.059 0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.198 -1.885 -2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.460 -2.276 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.038 0.525 -1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.498 0.601 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.833 -0.668 -2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.568 -1.103 -1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.329 1.240 0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.354 -0.440 0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.190 0.436 0.631 1.00 0.00 H new ATOM 1130 N LEU A 77 2.258 -3.369 0.723 1.00 0.00 N ATOM 1131 CA LEU A 77 2.751 -4.713 1.005 1.00 0.00 C ATOM 1132 C LEU A 77 1.629 -5.608 1.520 1.00 0.00 C ATOM 1133 O LEU A 77 1.500 -6.759 1.104 1.00 0.00 O ATOM 1134 CB LEU A 77 3.886 -4.657 2.029 1.00 0.00 C ATOM 1135 CG LEU A 77 5.071 -3.761 1.670 1.00 0.00 C ATOM 1136 CD1 LEU A 77 5.873 -3.412 2.914 1.00 0.00 C ATOM 1137 CD2 LEU A 77 5.957 -4.438 0.635 1.00 0.00 C ATOM 0 H LEU A 77 2.084 -2.801 1.552 1.00 0.00 H new ATOM 0 HA LEU A 77 3.130 -5.137 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.474 -4.317 2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.257 -5.670 2.186 1.00 0.00 H new ATOM 0 HG LEU A 77 4.685 -2.836 1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.712 -2.774 2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.234 -2.885 3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.248 -4.326 3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.796 -3.786 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.334 -5.378 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.377 -4.636 -0.267 1.00 0.00 H new ATOM 1149 N GLU A 78 0.818 -5.070 2.426 1.00 0.00 N ATOM 1150 CA GLU A 78 -0.294 -5.820 2.996 1.00 0.00 C ATOM 1151 C GLU A 78 -1.495 -4.911 3.241 1.00 0.00 C ATOM 1152 O GLU A 78 -1.342 -3.709 3.460 1.00 0.00 O ATOM 1153 CB GLU A 78 0.130 -6.488 4.306 1.00 0.00 C ATOM 1154 CG GLU A 78 1.485 -7.170 4.230 1.00 0.00 C ATOM 1155 CD GLU A 78 1.697 -8.173 5.348 1.00 0.00 C ATOM 1156 OE1 GLU A 78 0.695 -8.607 5.953 1.00 0.00 O ATOM 1157 OE2 GLU A 78 2.865 -8.525 5.616 1.00 0.00 O ATOM 0 H GLU A 78 0.911 -4.118 2.780 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.583 -6.590 2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.154 -5.737 5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.623 -7.224 4.589 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.579 -7.677 3.270 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.270 -6.415 4.270 1.00 0.00 H new ATOM 1164 N ILE A 79 -2.689 -5.494 3.203 1.00 0.00 N ATOM 1165 CA ILE A 79 -3.915 -4.737 3.421 1.00 0.00 C ATOM 1166 C ILE A 79 -5.001 -5.615 4.033 1.00 0.00 C ATOM 1167 O ILE A 79 -5.350 -6.660 3.486 1.00 0.00 O ATOM 1168 CB ILE A 79 -4.442 -4.128 2.108 1.00 0.00 C ATOM 1169 CG1 ILE A 79 -3.406 -3.173 1.512 1.00 0.00 C ATOM 1170 CG2 ILE A 79 -5.759 -3.405 2.351 1.00 0.00 C ATOM 1171 CD1 ILE A 79 -3.800 -2.622 0.159 1.00 0.00 C ATOM 0 H ILE A 79 -2.833 -6.488 3.023 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.670 -3.931 4.113 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.618 -4.934 1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.249 -2.343 2.202 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.454 -3.695 1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.119 -2.980 1.414 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.496 -4.110 2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.607 -2.606 3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.019 -1.953 -0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.928 -3.444 -0.545 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.737 -2.072 0.249 1.00 0.00 H new ATOM 1183 N ASN A 80 -5.533 -5.182 5.171 1.00 0.00 N ATOM 1184 CA ASN A 80 -6.582 -5.928 5.858 1.00 0.00 C ATOM 1185 C ASN A 80 -6.169 -7.382 6.063 1.00 0.00 C ATOM 1186 O ASN A 80 -6.941 -8.301 5.794 1.00 0.00 O ATOM 1187 CB ASN A 80 -7.887 -5.864 5.062 1.00 0.00 C ATOM 1188 CG ASN A 80 -9.060 -6.444 5.828 1.00 0.00 C ATOM 1189 OD1 ASN A 80 -9.566 -7.515 5.493 1.00 0.00 O ATOM 1190 ND2 ASN A 80 -9.499 -5.736 6.862 1.00 0.00 N ATOM 0 H ASN A 80 -5.255 -4.318 5.637 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.738 -5.472 6.835 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.102 -4.827 4.804 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.765 -6.407 4.125 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.286 -6.075 7.415 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.049 -4.853 7.104 1.00 0.00 H new ATOM 1197 N ASN A 81 -4.946 -7.582 6.544 1.00 0.00 N ATOM 1198 CA ASN A 81 -4.430 -8.925 6.786 1.00 0.00 C ATOM 1199 C ASN A 81 -4.384 -9.731 5.491 1.00 0.00 C ATOM 1200 O ASN A 81 -4.927 -10.833 5.417 1.00 0.00 O ATOM 1201 CB ASN A 81 -5.295 -9.647 7.820 1.00 0.00 C ATOM 1202 CG ASN A 81 -4.843 -9.376 9.242 1.00 0.00 C ATOM 1203 OD1 ASN A 81 -5.334 -8.456 9.896 1.00 0.00 O ATOM 1204 ND2 ASN A 81 -3.903 -10.179 9.727 1.00 0.00 N ATOM 0 H ASN A 81 -4.294 -6.832 6.774 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.415 -8.834 7.172 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.332 -9.333 7.705 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.264 -10.720 7.630 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.559 -10.046 10.678 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.525 -10.929 9.148 1.00 0.00 H new ATOM 1211 N GLN A 82 -3.733 -9.174 4.476 1.00 0.00 N ATOM 1212 CA GLN A 82 -3.617 -9.842 3.185 1.00 0.00 C ATOM 1213 C GLN A 82 -2.402 -9.333 2.416 1.00 0.00 C ATOM 1214 O GLN A 82 -2.398 -8.207 1.918 1.00 0.00 O ATOM 1215 CB GLN A 82 -4.886 -9.626 2.359 1.00 0.00 C ATOM 1216 CG GLN A 82 -6.058 -10.484 2.808 1.00 0.00 C ATOM 1217 CD GLN A 82 -6.998 -10.828 1.670 1.00 0.00 C ATOM 1218 OE1 GLN A 82 -6.565 -11.236 0.592 1.00 0.00 O ATOM 1219 NE2 GLN A 82 -8.295 -10.664 1.903 1.00 0.00 N ATOM 0 H GLN A 82 -3.278 -8.262 4.522 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.488 -10.909 3.367 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.172 -8.576 2.416 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.669 -9.841 1.313 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.680 -11.404 3.253 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.612 -9.958 3.585 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.611 -10.323 2.811 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.975 -10.879 1.174 1.00 0.00 H new ATOM 1228 N ILE A 83 -1.374 -10.169 2.323 1.00 0.00 N ATOM 1229 CA ILE A 83 -0.154 -9.803 1.614 1.00 0.00 C ATOM 1230 C ILE A 83 -0.403 -9.693 0.113 1.00 0.00 C ATOM 1231 O ILE A 83 -1.022 -10.570 -0.491 1.00 0.00 O ATOM 1232 CB ILE A 83 0.970 -10.826 1.862 1.00 0.00 C ATOM 1233 CG1 ILE A 83 1.240 -10.965 3.362 1.00 0.00 C ATOM 1234 CG2 ILE A 83 2.236 -10.411 1.127 1.00 0.00 C ATOM 1235 CD1 ILE A 83 2.238 -12.051 3.698 1.00 0.00 C ATOM 0 H ILE A 83 -1.361 -11.104 2.730 1.00 0.00 H new ATOM 0 HA ILE A 83 0.157 -8.833 2.001 1.00 0.00 H new ATOM 0 HB ILE A 83 0.651 -11.795 1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.607 -10.014 3.747 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.301 -11.175 3.874 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.021 -11.144 1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 83 2.035 -10.357 0.057 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.560 -9.434 1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.381 -12.093 4.778 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.863 -13.011 3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.190 -11.832 3.215 1.00 0.00 H new ATOM 1247 N LEU A 84 0.085 -8.611 -0.484 1.00 0.00 N ATOM 1248 CA LEU A 84 -0.082 -8.386 -1.915 1.00 0.00 C ATOM 1249 C LEU A 84 1.214 -8.673 -2.667 1.00 0.00 C ATOM 1250 O LEU A 84 1.203 -8.920 -3.873 1.00 0.00 O ATOM 1251 CB LEU A 84 -0.528 -6.946 -2.176 1.00 0.00 C ATOM 1252 CG LEU A 84 -1.574 -6.382 -1.213 1.00 0.00 C ATOM 1253 CD1 LEU A 84 -1.772 -4.894 -1.452 1.00 0.00 C ATOM 1254 CD2 LEU A 84 -2.892 -7.128 -1.361 1.00 0.00 C ATOM 0 H LEU A 84 0.600 -7.876 0.001 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.850 -9.070 -2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.351 -6.303 -2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.927 -6.888 -3.189 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.214 -6.520 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.520 -4.510 -0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.828 -4.371 -1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.110 -4.732 -2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.624 -6.713 -0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.258 -7.022 -2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.739 -8.184 -1.138 1.00 0.00 H new ATOM 1266 N TYR A 85 2.329 -8.639 -1.946 1.00 0.00 N ATOM 1267 CA TYR A 85 3.634 -8.895 -2.544 1.00 0.00 C ATOM 1268 C TYR A 85 3.582 -10.111 -3.465 1.00 0.00 C ATOM 1269 O TYR A 85 3.724 -11.248 -3.019 1.00 0.00 O ATOM 1270 CB TYR A 85 4.685 -9.112 -1.454 1.00 0.00 C ATOM 1271 CG TYR A 85 6.080 -9.335 -1.993 1.00 0.00 C ATOM 1272 CD1 TYR A 85 6.495 -10.598 -2.398 1.00 0.00 C ATOM 1273 CD2 TYR A 85 6.983 -8.284 -2.096 1.00 0.00 C ATOM 1274 CE1 TYR A 85 7.769 -10.807 -2.891 1.00 0.00 C ATOM 1275 CE2 TYR A 85 8.258 -8.484 -2.588 1.00 0.00 C ATOM 1276 CZ TYR A 85 8.646 -9.747 -2.984 1.00 0.00 C ATOM 1277 OH TYR A 85 9.916 -9.949 -3.474 1.00 0.00 O ATOM 0 H TYR A 85 2.355 -8.437 -0.947 1.00 0.00 H new ATOM 0 HA TYR A 85 3.910 -8.023 -3.137 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.694 -8.246 -0.793 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.397 -9.972 -0.849 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.810 -11.430 -2.326 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.683 -7.294 -1.786 1.00 0.00 H new ATOM 0 HE1 TYR A 85 8.076 -11.795 -3.202 1.00 0.00 H new ATOM 0 HE2 TYR A 85 8.947 -7.656 -2.662 1.00 0.00 H new ATOM 0 HH TYR A 85 10.405 -9.100 -3.474 1.00 0.00 H new ATOM 1287 N GLY A 86 3.378 -9.859 -4.755 1.00 0.00 N ATOM 1288 CA GLY A 86 3.312 -10.941 -5.719 1.00 0.00 C ATOM 1289 C GLY A 86 1.968 -11.014 -6.418 1.00 0.00 C ATOM 1290 O GLY A 86 1.670 -11.991 -7.104 1.00 0.00 O ATOM 0 H GLY A 86 3.257 -8.926 -5.149 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.098 -10.809 -6.463 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.507 -11.887 -5.213 1.00 0.00 H new ATOM 1294 N ARG A 87 1.155 -9.977 -6.241 1.00 0.00 N ATOM 1295 CA ARG A 87 -0.166 -9.929 -6.857 1.00 0.00 C ATOM 1296 C ARG A 87 -0.330 -8.661 -7.691 1.00 0.00 C ATOM 1297 O ARG A 87 0.535 -7.786 -7.685 1.00 0.00 O ATOM 1298 CB ARG A 87 -1.255 -9.992 -5.785 1.00 0.00 C ATOM 1299 CG ARG A 87 -1.512 -11.395 -5.260 1.00 0.00 C ATOM 1300 CD ARG A 87 -2.593 -11.401 -4.191 1.00 0.00 C ATOM 1301 NE ARG A 87 -3.134 -12.739 -3.967 1.00 0.00 N ATOM 1302 CZ ARG A 87 -4.148 -12.993 -3.147 1.00 0.00 C ATOM 1303 NH1 ARG A 87 -4.728 -12.006 -2.478 1.00 0.00 N ATOM 1304 NH2 ARG A 87 -4.585 -14.237 -2.996 1.00 0.00 N ATOM 0 H ARG A 87 1.388 -9.160 -5.677 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.265 -10.792 -7.515 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.971 -9.348 -4.953 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.182 -9.592 -6.196 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.810 -12.044 -6.084 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.590 -11.805 -4.849 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.182 -11.015 -3.258 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.399 -10.729 -4.486 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.710 -13.521 -4.467 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.396 -11.048 -2.592 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.506 -12.204 -1.849 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.142 -14.999 -3.510 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.364 -14.431 -2.366 1.00 0.00 H new ATOM 1318 N SER A 88 -1.446 -8.571 -8.407 1.00 0.00 N ATOM 1319 CA SER A 88 -1.723 -7.413 -9.249 1.00 0.00 C ATOM 1320 C SER A 88 -2.410 -6.311 -8.448 1.00 0.00 C ATOM 1321 O SER A 88 -3.085 -6.579 -7.454 1.00 0.00 O ATOM 1322 CB SER A 88 -2.598 -7.817 -10.437 1.00 0.00 C ATOM 1323 OG SER A 88 -3.916 -8.127 -10.017 1.00 0.00 O ATOM 0 H SER A 88 -2.173 -9.286 -8.421 1.00 0.00 H new ATOM 0 HA SER A 88 -0.773 -7.030 -9.621 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.626 -7.006 -11.165 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.160 -8.680 -10.938 1.00 0.00 H new ATOM 0 HG SER A 88 -4.456 -8.381 -10.795 1.00 0.00 H new ATOM 1329 N HIS A 89 -2.232 -5.070 -8.889 1.00 0.00 N ATOM 1330 CA HIS A 89 -2.834 -3.925 -8.215 1.00 0.00 C ATOM 1331 C HIS A 89 -4.354 -4.056 -8.175 1.00 0.00 C ATOM 1332 O HIS A 89 -4.989 -3.719 -7.176 1.00 0.00 O ATOM 1333 CB HIS A 89 -2.440 -2.626 -8.919 1.00 0.00 C ATOM 1334 CG HIS A 89 -2.753 -2.620 -10.383 1.00 0.00 C ATOM 1335 ND1 HIS A 89 -3.990 -2.277 -10.888 1.00 0.00 N ATOM 1336 CD2 HIS A 89 -1.980 -2.916 -11.455 1.00 0.00 C ATOM 1337 CE1 HIS A 89 -3.965 -2.364 -12.206 1.00 0.00 C ATOM 1338 NE2 HIS A 89 -2.757 -2.749 -12.575 1.00 0.00 N ATOM 0 H HIS A 89 -1.676 -4.831 -9.710 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.462 -3.901 -7.191 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -2.956 -1.793 -8.442 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.371 -2.459 -8.784 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -0.946 -3.226 -11.433 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.792 -2.156 -12.869 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.451 -2.898 -13.536 1.00 0.00 H new ATOM 1347 N GLN A 90 -4.929 -4.545 -9.269 1.00 0.00 N ATOM 1348 CA GLN A 90 -6.374 -4.719 -9.359 1.00 0.00 C ATOM 1349 C GLN A 90 -6.898 -5.543 -8.188 1.00 0.00 C ATOM 1350 O GLN A 90 -8.007 -5.320 -7.705 1.00 0.00 O ATOM 1351 CB GLN A 90 -6.747 -5.393 -10.680 1.00 0.00 C ATOM 1352 CG GLN A 90 -6.324 -4.602 -11.908 1.00 0.00 C ATOM 1353 CD GLN A 90 -6.954 -5.124 -13.184 1.00 0.00 C ATOM 1354 OE1 GLN A 90 -7.531 -6.212 -13.205 1.00 0.00 O ATOM 1355 NE2 GLN A 90 -6.848 -4.350 -14.257 1.00 0.00 N ATOM 0 H GLN A 90 -4.417 -4.827 -10.105 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.836 -3.732 -9.320 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.286 -6.380 -10.717 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.826 -5.544 -10.709 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -6.598 -3.556 -11.774 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.239 -4.638 -12.002 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.361 -3.456 -14.195 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -7.253 -4.649 -15.144 1.00 0.00 H new ATOM 1364 N ASN A 91 -6.091 -6.498 -7.735 1.00 0.00 N ATOM 1365 CA ASN A 91 -6.474 -7.357 -6.621 1.00 0.00 C ATOM 1366 C ASN A 91 -6.513 -6.569 -5.315 1.00 0.00 C ATOM 1367 O ASN A 91 -7.430 -6.728 -4.510 1.00 0.00 O ATOM 1368 CB ASN A 91 -5.497 -8.528 -6.494 1.00 0.00 C ATOM 1369 CG ASN A 91 -5.727 -9.591 -7.552 1.00 0.00 C ATOM 1370 OD1 ASN A 91 -6.724 -9.558 -8.273 1.00 0.00 O ATOM 1371 ND2 ASN A 91 -4.803 -10.540 -7.648 1.00 0.00 N ATOM 0 H ASN A 91 -5.168 -6.696 -8.122 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.473 -7.745 -6.820 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.476 -8.156 -6.573 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.597 -8.976 -5.505 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -4.904 -11.282 -8.341 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.992 -10.527 -7.029 1.00 0.00 H new ATOM 1378 N ALA A 92 -5.511 -5.720 -5.113 1.00 0.00 N ATOM 1379 CA ALA A 92 -5.432 -4.905 -3.907 1.00 0.00 C ATOM 1380 C ALA A 92 -6.764 -4.220 -3.619 1.00 0.00 C ATOM 1381 O ALA A 92 -7.400 -4.481 -2.598 1.00 0.00 O ATOM 1382 CB ALA A 92 -4.323 -3.873 -4.039 1.00 0.00 C ATOM 0 H ALA A 92 -4.743 -5.579 -5.769 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.203 -5.563 -3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.276 -3.272 -3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.370 -4.380 -4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.527 -3.226 -4.892 1.00 0.00 H new ATOM 1388 N SER A 93 -7.179 -3.340 -4.525 1.00 0.00 N ATOM 1389 CA SER A 93 -8.434 -2.614 -4.366 1.00 0.00 C ATOM 1390 C SER A 93 -9.552 -3.551 -3.921 1.00 0.00 C ATOM 1391 O SER A 93 -10.380 -3.194 -3.083 1.00 0.00 O ATOM 1392 CB SER A 93 -8.820 -1.927 -5.678 1.00 0.00 C ATOM 1393 OG SER A 93 -9.316 -2.865 -6.617 1.00 0.00 O ATOM 0 H SER A 93 -6.665 -3.113 -5.376 1.00 0.00 H new ATOM 0 HA SER A 93 -8.291 -1.856 -3.595 1.00 0.00 H new ATOM 0 HB2 SER A 93 -9.576 -1.166 -5.485 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.952 -1.416 -6.094 1.00 0.00 H new ATOM 0 HG SER A 93 -8.644 -3.562 -6.770 1.00 0.00 H new ATOM 1399 N ALA A 94 -9.569 -4.753 -4.489 1.00 0.00 N ATOM 1400 CA ALA A 94 -10.584 -5.743 -4.151 1.00 0.00 C ATOM 1401 C ALA A 94 -10.591 -6.032 -2.653 1.00 0.00 C ATOM 1402 O ALA A 94 -11.640 -5.995 -2.010 1.00 0.00 O ATOM 1403 CB ALA A 94 -10.353 -7.025 -4.936 1.00 0.00 C ATOM 0 H ALA A 94 -8.891 -5.064 -5.185 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.558 -5.335 -4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.118 -7.755 -4.673 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -10.405 -6.812 -6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.369 -7.427 -4.694 1.00 0.00 H new ATOM 1409 N ILE A 95 -9.415 -6.320 -2.105 1.00 0.00 N ATOM 1410 CA ILE A 95 -9.287 -6.614 -0.684 1.00 0.00 C ATOM 1411 C ILE A 95 -9.840 -5.475 0.166 1.00 0.00 C ATOM 1412 O ILE A 95 -10.492 -5.708 1.185 1.00 0.00 O ATOM 1413 CB ILE A 95 -7.819 -6.867 -0.291 1.00 0.00 C ATOM 1414 CG1 ILE A 95 -7.244 -8.030 -1.102 1.00 0.00 C ATOM 1415 CG2 ILE A 95 -7.711 -7.149 1.200 1.00 0.00 C ATOM 1416 CD1 ILE A 95 -5.741 -8.156 -0.994 1.00 0.00 C ATOM 0 H ILE A 95 -8.538 -6.356 -2.624 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.866 -7.518 -0.496 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.239 -5.972 -0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.704 -8.959 -0.766 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.515 -7.901 -2.150 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.668 -7.326 1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.086 -6.293 1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.302 -8.031 1.447 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.403 -9.001 -1.594 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.272 -7.242 -1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.463 -8.316 0.048 1.00 0.00 H new ATOM 1428 N ILE A 96 -9.578 -4.245 -0.261 1.00 0.00 N ATOM 1429 CA ILE A 96 -10.052 -3.070 0.459 1.00 0.00 C ATOM 1430 C ILE A 96 -11.575 -2.990 0.439 1.00 0.00 C ATOM 1431 O ILE A 96 -12.209 -2.748 1.466 1.00 0.00 O ATOM 1432 CB ILE A 96 -9.474 -1.773 -0.137 1.00 0.00 C ATOM 1433 CG1 ILE A 96 -7.963 -1.709 0.096 1.00 0.00 C ATOM 1434 CG2 ILE A 96 -10.160 -0.558 0.470 1.00 0.00 C ATOM 1435 CD1 ILE A 96 -7.266 -0.662 -0.745 1.00 0.00 C ATOM 0 H ILE A 96 -9.040 -4.036 -1.102 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.709 -3.172 1.489 1.00 0.00 H new ATOM 0 HB ILE A 96 -9.659 -1.771 -1.211 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.774 -1.502 1.149 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.529 -2.685 -0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.740 0.350 0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -11.228 -0.600 0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -10.004 -0.553 1.549 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.198 -0.673 -0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.424 -0.880 -1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.673 0.322 -0.512 1.00 0.00 H new ATOM 1447 N LYS A 97 -12.157 -3.197 -0.738 1.00 0.00 N ATOM 1448 CA LYS A 97 -13.606 -3.152 -0.893 1.00 0.00 C ATOM 1449 C LYS A 97 -14.291 -4.058 0.125 1.00 0.00 C ATOM 1450 O LYS A 97 -15.259 -3.661 0.773 1.00 0.00 O ATOM 1451 CB LYS A 97 -14.000 -3.571 -2.311 1.00 0.00 C ATOM 1452 CG LYS A 97 -15.281 -2.919 -2.804 1.00 0.00 C ATOM 1453 CD LYS A 97 -15.477 -3.132 -4.296 1.00 0.00 C ATOM 1454 CE LYS A 97 -14.555 -2.240 -5.113 1.00 0.00 C ATOM 1455 NZ LYS A 97 -14.476 -2.676 -6.534 1.00 0.00 N ATOM 0 H LYS A 97 -11.647 -3.398 -1.598 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.934 -2.127 -0.719 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -13.188 -3.320 -2.994 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -14.118 -4.654 -2.341 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -16.132 -3.331 -2.262 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.253 -1.851 -2.589 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.287 -4.176 -4.543 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.514 -2.925 -4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.912 -1.211 -5.068 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.557 -2.250 -4.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.838 -2.042 -7.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.111 -3.649 -6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.424 -2.642 -6.961 1.00 0.00 H new ATOM 1469 N THR A 98 -13.781 -5.279 0.262 1.00 0.00 N ATOM 1470 CA THR A 98 -14.343 -6.241 1.201 1.00 0.00 C ATOM 1471 C THR A 98 -13.990 -5.876 2.638 1.00 0.00 C ATOM 1472 O THR A 98 -14.730 -6.195 3.569 1.00 0.00 O ATOM 1473 CB THR A 98 -13.845 -7.669 0.908 1.00 0.00 C ATOM 1474 OG1 THR A 98 -12.429 -7.744 1.110 1.00 0.00 O ATOM 1475 CG2 THR A 98 -14.182 -8.077 -0.518 1.00 0.00 C ATOM 0 H THR A 98 -12.979 -5.624 -0.266 1.00 0.00 H new ATOM 0 HA THR A 98 -15.425 -6.210 1.076 1.00 0.00 H new ATOM 0 HB THR A 98 -14.346 -8.354 1.592 1.00 0.00 H new ATOM 0 HG1 THR A 98 -12.041 -6.846 1.045 1.00 0.00 H new ATOM 0 HG21 THR A 98 -13.821 -9.089 -0.702 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.262 -8.046 -0.660 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.705 -7.389 -1.216 1.00 0.00 H new ATOM 1483 N ALA A 99 -12.856 -5.207 2.813 1.00 0.00 N ATOM 1484 CA ALA A 99 -12.407 -4.797 4.137 1.00 0.00 C ATOM 1485 C ALA A 99 -13.339 -3.747 4.733 1.00 0.00 C ATOM 1486 O ALA A 99 -13.977 -2.972 4.019 1.00 0.00 O ATOM 1487 CB ALA A 99 -10.983 -4.264 4.070 1.00 0.00 C ATOM 0 H ALA A 99 -12.231 -4.937 2.054 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.426 -5.672 4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.661 -3.961 5.066 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.320 -5.044 3.695 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.947 -3.405 3.400 1.00 0.00 H new ATOM 1493 N PRO A 100 -13.422 -3.719 6.071 1.00 0.00 N ATOM 1494 CA PRO A 100 -14.275 -2.768 6.791 1.00 0.00 C ATOM 1495 C PRO A 100 -13.757 -1.337 6.696 1.00 0.00 C ATOM 1496 O PRO A 100 -12.652 -1.098 6.208 1.00 0.00 O ATOM 1497 CB PRO A 100 -14.214 -3.264 8.239 1.00 0.00 C ATOM 1498 CG PRO A 100 -12.919 -3.993 8.335 1.00 0.00 C ATOM 1499 CD PRO A 100 -12.690 -4.613 6.984 1.00 0.00 C ATOM 0 HA PRO A 100 -15.284 -2.732 6.380 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -14.254 -2.434 8.944 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -15.055 -3.918 8.469 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -12.107 -3.314 8.595 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -12.958 -4.756 9.113 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.629 -4.659 6.737 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -13.072 -5.633 6.940 1.00 0.00 H new ATOM 1507 N SER A 101 -14.561 -0.389 7.166 1.00 0.00 N ATOM 1508 CA SER A 101 -14.184 1.019 7.130 1.00 0.00 C ATOM 1509 C SER A 101 -12.691 1.189 7.393 1.00 0.00 C ATOM 1510 O SER A 101 -11.944 1.648 6.529 1.00 0.00 O ATOM 1511 CB SER A 101 -14.989 1.810 8.163 1.00 0.00 C ATOM 1512 OG SER A 101 -16.343 1.940 7.765 1.00 0.00 O ATOM 0 H SER A 101 -15.477 -0.570 7.576 1.00 0.00 H new ATOM 0 HA SER A 101 -14.405 1.404 6.135 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.938 1.309 9.130 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.548 2.799 8.292 1.00 0.00 H new ATOM 0 HG SER A 101 -16.836 2.448 8.443 1.00 0.00 H new ATOM 1518 N LYS A 102 -12.263 0.816 8.594 1.00 0.00 N ATOM 1519 CA LYS A 102 -10.859 0.925 8.974 1.00 0.00 C ATOM 1520 C LYS A 102 -10.037 -0.196 8.347 1.00 0.00 C ATOM 1521 O LYS A 102 -10.279 -1.375 8.605 1.00 0.00 O ATOM 1522 CB LYS A 102 -10.717 0.886 10.497 1.00 0.00 C ATOM 1523 CG LYS A 102 -9.321 1.228 10.987 1.00 0.00 C ATOM 1524 CD LYS A 102 -9.356 1.882 12.359 1.00 0.00 C ATOM 1525 CE LYS A 102 -9.468 3.395 12.252 1.00 0.00 C ATOM 1526 NZ LYS A 102 -8.192 4.015 11.798 1.00 0.00 N ATOM 0 H LYS A 102 -12.868 0.435 9.321 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.481 1.878 8.605 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.429 1.584 10.938 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.984 -0.109 10.853 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.717 0.321 11.030 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -8.839 1.898 10.276 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.201 1.493 12.927 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.453 1.621 12.911 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.265 3.652 11.554 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -9.748 3.808 13.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -8.288 5.051 11.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -7.423 3.736 12.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -7.973 3.692 10.834 1.00 0.00 H new ATOM 1540 N VAL A 103 -9.064 0.179 7.523 1.00 0.00 N ATOM 1541 CA VAL A 103 -8.204 -0.795 6.861 1.00 0.00 C ATOM 1542 C VAL A 103 -6.732 -0.476 7.092 1.00 0.00 C ATOM 1543 O VAL A 103 -6.289 0.653 6.878 1.00 0.00 O ATOM 1544 CB VAL A 103 -8.476 -0.846 5.346 1.00 0.00 C ATOM 1545 CG1 VAL A 103 -7.678 -1.967 4.698 1.00 0.00 C ATOM 1546 CG2 VAL A 103 -9.964 -1.014 5.077 1.00 0.00 C ATOM 0 H VAL A 103 -8.851 1.151 7.298 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.434 -1.767 7.297 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.155 0.098 4.905 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.883 -1.988 3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.614 -1.797 4.861 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.965 -2.921 5.141 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -10.138 -1.048 4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.313 -1.942 5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.509 -0.173 5.506 1.00 0.00 H new ATOM 1556 N LYS A 104 -5.976 -1.477 7.531 1.00 0.00 N ATOM 1557 CA LYS A 104 -4.552 -1.304 7.790 1.00 0.00 C ATOM 1558 C LYS A 104 -3.750 -1.383 6.495 1.00 0.00 C ATOM 1559 O LYS A 104 -3.844 -2.362 5.753 1.00 0.00 O ATOM 1560 CB LYS A 104 -4.059 -2.369 8.773 1.00 0.00 C ATOM 1561 CG LYS A 104 -2.720 -2.037 9.408 1.00 0.00 C ATOM 1562 CD LYS A 104 -2.312 -3.085 10.430 1.00 0.00 C ATOM 1563 CE LYS A 104 -1.415 -2.494 11.507 1.00 0.00 C ATOM 1564 NZ LYS A 104 -2.182 -1.655 12.469 1.00 0.00 N ATOM 0 H LYS A 104 -6.327 -2.417 7.715 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.405 -0.317 8.228 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.803 -2.498 9.559 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.978 -3.323 8.252 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.956 -1.966 8.633 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.777 -1.061 9.889 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.203 -3.512 10.891 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.791 -3.901 9.928 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.915 -3.299 12.046 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.636 -1.891 11.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -1.597 -1.467 13.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.438 -0.754 12.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -3.047 -2.157 12.755 1.00 0.00 H new ATOM 1578 N LEU A 105 -2.960 -0.348 6.229 1.00 0.00 N ATOM 1579 CA LEU A 105 -2.140 -0.301 5.024 1.00 0.00 C ATOM 1580 C LEU A 105 -0.656 -0.283 5.376 1.00 0.00 C ATOM 1581 O LEU A 105 -0.162 0.668 5.981 1.00 0.00 O ATOM 1582 CB LEU A 105 -2.493 0.932 4.191 1.00 0.00 C ATOM 1583 CG LEU A 105 -3.917 0.983 3.637 1.00 0.00 C ATOM 1584 CD1 LEU A 105 -4.382 2.423 3.490 1.00 0.00 C ATOM 1585 CD2 LEU A 105 -3.996 0.257 2.302 1.00 0.00 C ATOM 0 H LEU A 105 -2.870 0.470 6.832 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.345 -1.198 4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.331 1.818 4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.797 0.992 3.354 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.578 0.480 4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.398 2.439 3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.364 2.912 4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.718 2.952 2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.017 0.303 1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.322 0.732 1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.706 -0.785 2.437 1.00 0.00 H new ATOM 1597 N VAL A 106 0.051 -1.341 4.990 1.00 0.00 N ATOM 1598 CA VAL A 106 1.480 -1.446 5.262 1.00 0.00 C ATOM 1599 C VAL A 106 2.295 -1.291 3.983 1.00 0.00 C ATOM 1600 O VAL A 106 2.384 -2.216 3.175 1.00 0.00 O ATOM 1601 CB VAL A 106 1.829 -2.795 5.920 1.00 0.00 C ATOM 1602 CG1 VAL A 106 3.324 -2.892 6.178 1.00 0.00 C ATOM 1603 CG2 VAL A 106 1.043 -2.977 7.210 1.00 0.00 C ATOM 0 H VAL A 106 -0.342 -2.137 4.488 1.00 0.00 H new ATOM 0 HA VAL A 106 1.732 -0.639 5.950 1.00 0.00 H new ATOM 0 HB VAL A 106 1.551 -3.597 5.236 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.551 -3.851 6.643 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.862 -2.810 5.234 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.632 -2.085 6.843 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.302 -3.935 7.662 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.288 -2.171 7.902 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.025 -2.955 6.992 1.00 0.00 H new ATOM 1613 N PHE A 107 2.889 -0.116 3.805 1.00 0.00 N ATOM 1614 CA PHE A 107 3.698 0.161 2.624 1.00 0.00 C ATOM 1615 C PHE A 107 5.092 0.639 3.019 1.00 0.00 C ATOM 1616 O PHE A 107 5.410 0.749 4.204 1.00 0.00 O ATOM 1617 CB PHE A 107 3.015 1.214 1.748 1.00 0.00 C ATOM 1618 CG PHE A 107 2.924 2.566 2.396 1.00 0.00 C ATOM 1619 CD1 PHE A 107 3.983 3.456 2.324 1.00 0.00 C ATOM 1620 CD2 PHE A 107 1.778 2.946 3.077 1.00 0.00 C ATOM 1621 CE1 PHE A 107 3.902 4.700 2.920 1.00 0.00 C ATOM 1622 CE2 PHE A 107 1.691 4.189 3.675 1.00 0.00 C ATOM 1623 CZ PHE A 107 2.754 5.068 3.596 1.00 0.00 C ATOM 0 H PHE A 107 2.825 0.660 4.464 1.00 0.00 H new ATOM 0 HA PHE A 107 3.798 -0.765 2.057 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.563 1.306 0.810 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.011 0.871 1.498 1.00 0.00 H new ATOM 0 HD1 PHE A 107 4.882 3.174 1.796 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.944 2.263 3.141 1.00 0.00 H new ATOM 0 HE1 PHE A 107 4.735 5.384 2.858 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.793 4.473 4.204 1.00 0.00 H new ATOM 0 HZ PHE A 107 2.688 6.040 4.061 1.00 0.00 H new ATOM 1633 N ILE A 108 5.920 0.921 2.018 1.00 0.00 N ATOM 1634 CA ILE A 108 7.279 1.388 2.261 1.00 0.00 C ATOM 1635 C ILE A 108 7.566 2.670 1.488 1.00 0.00 C ATOM 1636 O ILE A 108 7.479 2.700 0.260 1.00 0.00 O ATOM 1637 CB ILE A 108 8.319 0.321 1.868 1.00 0.00 C ATOM 1638 CG1 ILE A 108 9.736 0.854 2.086 1.00 0.00 C ATOM 1639 CG2 ILE A 108 8.123 -0.101 0.419 1.00 0.00 C ATOM 1640 CD1 ILE A 108 10.764 -0.234 2.302 1.00 0.00 C ATOM 0 H ILE A 108 5.673 0.834 1.032 1.00 0.00 H new ATOM 0 HA ILE A 108 7.359 1.586 3.330 1.00 0.00 H new ATOM 0 HB ILE A 108 8.178 -0.554 2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.027 1.452 1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.736 1.520 2.949 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.865 -0.855 0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.123 -0.516 0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.240 0.766 -0.231 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.745 0.217 2.450 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.496 -0.818 3.183 1.00 0.00 H new ATOM 0 HD13 ILE A 108 10.792 -0.886 1.429 1.00 0.00 H new ATOM 1652 N ARG A 109 7.911 3.728 2.214 1.00 0.00 N ATOM 1653 CA ARG A 109 8.212 5.014 1.597 1.00 0.00 C ATOM 1654 C ARG A 109 9.637 5.035 1.052 1.00 0.00 C ATOM 1655 O ARG A 109 10.586 5.326 1.780 1.00 0.00 O ATOM 1656 CB ARG A 109 8.024 6.146 2.609 1.00 0.00 C ATOM 1657 CG ARG A 109 8.434 7.511 2.079 1.00 0.00 C ATOM 1658 CD ARG A 109 7.269 8.220 1.407 1.00 0.00 C ATOM 1659 NE ARG A 109 6.292 8.709 2.377 1.00 0.00 N ATOM 1660 CZ ARG A 109 6.544 9.680 3.247 1.00 0.00 C ATOM 1661 NH1 ARG A 109 7.735 10.263 3.268 1.00 0.00 N ATOM 1662 NH2 ARG A 109 5.604 10.070 4.098 1.00 0.00 N ATOM 0 H ARG A 109 7.989 3.720 3.231 1.00 0.00 H new ATOM 0 HA ARG A 109 7.522 5.161 0.766 1.00 0.00 H new ATOM 0 HB2 ARG A 109 6.977 6.182 2.911 1.00 0.00 H new ATOM 0 HB3 ARG A 109 8.606 5.923 3.503 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.810 8.123 2.899 1.00 0.00 H new ATOM 0 HG3 ARG A 109 9.251 7.396 1.367 1.00 0.00 H new ATOM 0 HD2 ARG A 109 7.645 9.057 0.818 1.00 0.00 H new ATOM 0 HD3 ARG A 109 6.780 7.536 0.713 1.00 0.00 H new ATOM 0 HE ARG A 109 5.366 8.281 2.386 1.00 0.00 H new ATOM 0 HH11 ARG A 109 8.460 9.966 2.615 1.00 0.00 H new ATOM 0 HH12 ARG A 109 7.926 11.009 3.937 1.00 0.00 H new ATOM 0 HH21 ARG A 109 4.687 9.624 4.084 1.00 0.00 H new ATOM 0 HH22 ARG A 109 5.798 10.816 4.766 1.00 0.00 H new ATOM 1676 N ASN A 110 9.779 4.725 -0.232 1.00 0.00 N ATOM 1677 CA ASN A 110 11.088 4.707 -0.874 1.00 0.00 C ATOM 1678 C ASN A 110 11.179 5.781 -1.955 1.00 0.00 C ATOM 1679 O ASN A 110 10.379 5.803 -2.890 1.00 0.00 O ATOM 1680 CB ASN A 110 11.362 3.331 -1.483 1.00 0.00 C ATOM 1681 CG ASN A 110 12.791 3.188 -1.971 1.00 0.00 C ATOM 1682 OD1 ASN A 110 13.546 4.161 -2.009 1.00 0.00 O ATOM 1683 ND2 ASN A 110 13.170 1.972 -2.346 1.00 0.00 N ATOM 0 H ASN A 110 9.004 4.483 -0.849 1.00 0.00 H new ATOM 0 HA ASN A 110 11.840 4.917 -0.114 1.00 0.00 H new ATOM 0 HB2 ASN A 110 11.156 2.560 -0.740 1.00 0.00 H new ATOM 0 HB3 ASN A 110 10.678 3.162 -2.315 1.00 0.00 H new ATOM 0 HD21 ASN A 110 14.120 1.815 -2.682 1.00 0.00 H new ATOM 0 HD22 ASN A 110 12.511 1.195 -2.298 1.00 0.00 H new ATOM 1690 N GLU A 111 12.159 6.669 -1.818 1.00 0.00 N ATOM 1691 CA GLU A 111 12.353 7.745 -2.783 1.00 0.00 C ATOM 1692 C GLU A 111 12.727 7.186 -4.153 1.00 0.00 C ATOM 1693 O GLU A 111 12.661 7.890 -5.161 1.00 0.00 O ATOM 1694 CB GLU A 111 13.442 8.704 -2.297 1.00 0.00 C ATOM 1695 CG GLU A 111 13.571 9.958 -3.146 1.00 0.00 C ATOM 1696 CD GLU A 111 12.485 10.975 -2.854 1.00 0.00 C ATOM 1697 OE1 GLU A 111 12.420 11.462 -1.707 1.00 0.00 O ATOM 1698 OE2 GLU A 111 11.699 11.284 -3.775 1.00 0.00 O ATOM 0 H GLU A 111 12.830 6.665 -1.050 1.00 0.00 H new ATOM 0 HA GLU A 111 11.413 8.290 -2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.228 8.992 -1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.398 8.181 -2.289 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.546 10.413 -2.970 1.00 0.00 H new ATOM 0 HG3 GLU A 111 13.533 9.684 -4.200 1.00 0.00 H new ATOM 1705 N ASP A 112 13.119 5.918 -4.181 1.00 0.00 N ATOM 1706 CA ASP A 112 13.502 5.263 -5.427 1.00 0.00 C ATOM 1707 C ASP A 112 12.318 4.522 -6.038 1.00 0.00 C ATOM 1708 O ASP A 112 12.370 4.092 -7.190 1.00 0.00 O ATOM 1709 CB ASP A 112 14.657 4.291 -5.182 1.00 0.00 C ATOM 1710 CG ASP A 112 16.009 4.976 -5.220 1.00 0.00 C ATOM 1711 OD1 ASP A 112 16.118 6.103 -4.692 1.00 0.00 O ATOM 1712 OD2 ASP A 112 16.958 4.386 -5.776 1.00 0.00 O ATOM 0 H ASP A 112 13.180 5.322 -3.355 1.00 0.00 H new ATOM 0 HA ASP A 112 13.827 6.032 -6.128 1.00 0.00 H new ATOM 0 HB2 ASP A 112 14.524 3.810 -4.213 1.00 0.00 H new ATOM 0 HB3 ASP A 112 14.631 3.503 -5.935 1.00 0.00 H new ATOM 1717 N ALA A 113 11.251 4.375 -5.259 1.00 0.00 N ATOM 1718 CA ALA A 113 10.054 3.687 -5.724 1.00 0.00 C ATOM 1719 C ALA A 113 9.292 4.534 -6.737 1.00 0.00 C ATOM 1720 O ALA A 113 8.591 4.006 -7.601 1.00 0.00 O ATOM 1721 CB ALA A 113 9.156 3.335 -4.546 1.00 0.00 C ATOM 0 H ALA A 113 11.192 4.724 -4.302 1.00 0.00 H new ATOM 0 HA ALA A 113 10.364 2.767 -6.219 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.265 2.821 -4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.696 2.684 -3.859 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.863 4.247 -4.027 1.00 0.00 H new ATOM 1727 N VAL A 114 9.434 5.851 -6.626 1.00 0.00 N ATOM 1728 CA VAL A 114 8.759 6.772 -7.534 1.00 0.00 C ATOM 1729 C VAL A 114 9.052 6.422 -8.988 1.00 0.00 C ATOM 1730 O VAL A 114 8.200 6.587 -9.860 1.00 0.00 O ATOM 1731 CB VAL A 114 9.183 8.229 -7.272 1.00 0.00 C ATOM 1732 CG1 VAL A 114 8.675 8.698 -5.917 1.00 0.00 C ATOM 1733 CG2 VAL A 114 10.695 8.368 -7.360 1.00 0.00 C ATOM 0 H VAL A 114 10.010 6.304 -5.917 1.00 0.00 H new ATOM 0 HA VAL A 114 7.689 6.674 -7.348 1.00 0.00 H new ATOM 0 HB VAL A 114 8.737 8.862 -8.039 1.00 0.00 H new ATOM 0 HG11 VAL A 114 8.984 9.730 -5.750 1.00 0.00 H new ATOM 0 HG12 VAL A 114 7.587 8.637 -5.896 1.00 0.00 H new ATOM 0 HG13 VAL A 114 9.089 8.063 -5.134 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.977 9.404 -7.172 1.00 0.00 H new ATOM 0 HG22 VAL A 114 11.164 7.724 -6.616 1.00 0.00 H new ATOM 0 HG23 VAL A 114 11.030 8.076 -8.355 1.00 0.00 H new ATOM 1743 N ASN A 115 10.263 5.939 -9.243 1.00 0.00 N ATOM 1744 CA ASN A 115 10.669 5.566 -10.593 1.00 0.00 C ATOM 1745 C ASN A 115 10.355 4.099 -10.870 1.00 0.00 C ATOM 1746 O ASN A 115 9.822 3.757 -11.925 1.00 0.00 O ATOM 1747 CB ASN A 115 12.164 5.824 -10.789 1.00 0.00 C ATOM 1748 CG ASN A 115 12.591 7.180 -10.259 1.00 0.00 C ATOM 1749 OD1 ASN A 115 12.206 8.218 -10.796 1.00 0.00 O ATOM 1750 ND2 ASN A 115 13.391 7.176 -9.199 1.00 0.00 N ATOM 0 H ASN A 115 10.981 5.797 -8.532 1.00 0.00 H new ATOM 0 HA ASN A 115 10.106 6.179 -11.296 1.00 0.00 H new ATOM 0 HB2 ASN A 115 12.734 5.044 -10.284 1.00 0.00 H new ATOM 0 HB3 ASN A 115 12.405 5.759 -11.850 1.00 0.00 H new ATOM 0 HD21 ASN A 115 13.711 8.058 -8.798 1.00 0.00 H new ATOM 0 HD22 ASN A 115 13.686 6.291 -8.786 1.00 0.00 H new ATOM 1757 N GLN A 116 10.689 3.237 -9.914 1.00 0.00 N ATOM 1758 CA GLN A 116 10.442 1.807 -10.056 1.00 0.00 C ATOM 1759 C GLN A 116 9.025 1.546 -10.556 1.00 0.00 C ATOM 1760 O GLN A 116 8.768 0.548 -11.228 1.00 0.00 O ATOM 1761 CB GLN A 116 10.664 1.096 -8.720 1.00 0.00 C ATOM 1762 CG GLN A 116 12.102 1.153 -8.231 1.00 0.00 C ATOM 1763 CD GLN A 116 12.953 0.030 -8.789 1.00 0.00 C ATOM 1764 OE1 GLN A 116 12.448 -0.876 -9.453 1.00 0.00 O ATOM 1765 NE2 GLN A 116 14.253 0.082 -8.521 1.00 0.00 N ATOM 0 H GLN A 116 11.131 3.504 -9.034 1.00 0.00 H new ATOM 0 HA GLN A 116 11.144 1.413 -10.791 1.00 0.00 H new ATOM 0 HB2 GLN A 116 10.015 1.544 -7.967 1.00 0.00 H new ATOM 0 HB3 GLN A 116 10.364 0.053 -8.819 1.00 0.00 H new ATOM 0 HG2 GLN A 116 12.540 2.110 -8.513 1.00 0.00 H new ATOM 0 HG3 GLN A 116 12.114 1.106 -7.142 1.00 0.00 H new ATOM 0 HE21 GLN A 116 14.629 0.851 -7.967 1.00 0.00 H new ATOM 0 HE22 GLN A 116 14.875 -0.647 -8.869 1.00 0.00 H new ATOM 1774 N MET A 117 8.109 2.449 -10.222 1.00 0.00 N ATOM 1775 CA MET A 117 6.718 2.316 -10.638 1.00 0.00 C ATOM 1776 C MET A 117 6.499 2.941 -12.012 1.00 0.00 C ATOM 1777 O MET A 117 6.770 4.124 -12.217 1.00 0.00 O ATOM 1778 CB MET A 117 5.791 2.973 -9.613 1.00 0.00 C ATOM 1779 CG MET A 117 6.080 4.449 -9.391 1.00 0.00 C ATOM 1780 SD MET A 117 5.139 5.142 -8.018 1.00 0.00 S ATOM 1781 CE MET A 117 5.288 6.895 -8.356 1.00 0.00 C ATOM 0 H MET A 117 8.305 3.280 -9.665 1.00 0.00 H new ATOM 0 HA MET A 117 6.484 1.253 -10.700 1.00 0.00 H new ATOM 0 HB2 MET A 117 4.759 2.859 -9.943 1.00 0.00 H new ATOM 0 HB3 MET A 117 5.882 2.446 -8.663 1.00 0.00 H new ATOM 0 HG2 MET A 117 7.145 4.582 -9.200 1.00 0.00 H new ATOM 0 HG3 MET A 117 5.848 5.002 -10.301 1.00 0.00 H new ATOM 0 HE1 MET A 117 5.663 7.406 -7.469 1.00 0.00 H new ATOM 0 HE2 MET A 117 5.981 7.048 -9.183 1.00 0.00 H new ATOM 0 HE3 MET A 117 4.311 7.299 -8.621 1.00 0.00 H new ATOM 1791 N ALA A 118 6.008 2.139 -12.951 1.00 0.00 N ATOM 1792 CA ALA A 118 5.752 2.614 -14.305 1.00 0.00 C ATOM 1793 C ALA A 118 5.300 4.070 -14.299 1.00 0.00 C ATOM 1794 O ALA A 118 5.650 4.843 -15.191 1.00 0.00 O ATOM 1795 CB ALA A 118 4.710 1.738 -14.984 1.00 0.00 C ATOM 0 H ALA A 118 5.779 1.157 -12.799 1.00 0.00 H new ATOM 0 HA ALA A 118 6.684 2.552 -14.867 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.529 2.105 -15.994 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.072 0.711 -15.030 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.781 1.770 -14.415 1.00 0.00 H new ATOM 1801 N SER A 119 4.519 4.439 -13.288 1.00 0.00 N ATOM 1802 CA SER A 119 4.014 5.801 -13.169 1.00 0.00 C ATOM 1803 C SER A 119 3.069 6.133 -14.320 1.00 0.00 C ATOM 1804 O SER A 119 2.998 7.276 -14.770 1.00 0.00 O ATOM 1805 CB SER A 119 5.176 6.797 -13.145 1.00 0.00 C ATOM 1806 OG SER A 119 4.749 8.067 -12.683 1.00 0.00 O ATOM 0 H SER A 119 4.223 3.813 -12.539 1.00 0.00 H new ATOM 0 HA SER A 119 3.459 5.876 -12.234 1.00 0.00 H new ATOM 0 HB2 SER A 119 5.969 6.420 -12.500 1.00 0.00 H new ATOM 0 HB3 SER A 119 5.597 6.893 -14.146 1.00 0.00 H new ATOM 0 HG SER A 119 3.984 8.369 -13.216 1.00 0.00 H new ATOM 1812 N GLY A 120 2.344 5.124 -14.792 1.00 0.00 N ATOM 1813 CA GLY A 120 1.412 5.328 -15.886 1.00 0.00 C ATOM 1814 C GLY A 120 0.304 4.293 -15.904 1.00 0.00 C ATOM 1815 O GLY A 120 0.406 3.255 -16.558 1.00 0.00 O ATOM 0 H GLY A 120 2.385 4.169 -14.437 1.00 0.00 H new ATOM 0 HA2 GLY A 120 0.974 6.323 -15.806 1.00 0.00 H new ATOM 0 HA3 GLY A 120 1.953 5.293 -16.832 1.00 0.00 H new ATOM 1819 N PRO A 121 -0.784 4.572 -15.171 1.00 0.00 N ATOM 1820 CA PRO A 121 -1.935 3.669 -15.089 1.00 0.00 C ATOM 1821 C PRO A 121 -2.715 3.602 -16.398 1.00 0.00 C ATOM 1822 O PRO A 121 -3.329 2.583 -16.714 1.00 0.00 O ATOM 1823 CB PRO A 121 -2.796 4.291 -13.986 1.00 0.00 C ATOM 1824 CG PRO A 121 -2.427 5.735 -13.987 1.00 0.00 C ATOM 1825 CD PRO A 121 -0.973 5.791 -14.367 1.00 0.00 C ATOM 0 HA PRO A 121 -1.633 2.642 -14.885 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -3.858 4.154 -14.188 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -2.593 3.831 -13.019 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -3.038 6.293 -14.697 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -2.591 6.180 -13.006 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -0.741 6.690 -14.939 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -0.328 5.797 -13.488 1.00 0.00 H new ATOM 1833 N SER A 122 -2.684 4.694 -17.156 1.00 0.00 N ATOM 1834 CA SER A 122 -3.391 4.759 -18.429 1.00 0.00 C ATOM 1835 C SER A 122 -2.723 3.864 -19.468 1.00 0.00 C ATOM 1836 O SER A 122 -1.619 3.361 -19.253 1.00 0.00 O ATOM 1837 CB SER A 122 -3.436 6.202 -18.937 1.00 0.00 C ATOM 1838 OG SER A 122 -4.560 6.412 -19.775 1.00 0.00 O ATOM 0 H SER A 122 -2.177 5.545 -16.910 1.00 0.00 H new ATOM 0 HA SER A 122 -4.409 4.404 -18.270 1.00 0.00 H new ATOM 0 HB2 SER A 122 -3.476 6.888 -18.091 1.00 0.00 H new ATOM 0 HB3 SER A 122 -2.522 6.426 -19.486 1.00 0.00 H new ATOM 0 HG SER A 122 -4.568 7.342 -20.085 1.00 0.00 H new ATOM 1844 N SER A 123 -3.400 3.668 -20.595 1.00 0.00 N ATOM 1845 CA SER A 123 -2.875 2.830 -21.667 1.00 0.00 C ATOM 1846 C SER A 123 -2.556 3.665 -22.903 1.00 0.00 C ATOM 1847 O SER A 123 -1.482 3.540 -23.490 1.00 0.00 O ATOM 1848 CB SER A 123 -3.880 1.733 -22.024 1.00 0.00 C ATOM 1849 OG SER A 123 -3.704 0.593 -21.201 1.00 0.00 O ATOM 0 H SER A 123 -4.313 4.078 -20.789 1.00 0.00 H new ATOM 0 HA SER A 123 -1.953 2.368 -21.315 1.00 0.00 H new ATOM 0 HB2 SER A 123 -4.895 2.114 -21.911 1.00 0.00 H new ATOM 0 HB3 SER A 123 -3.760 1.452 -23.070 1.00 0.00 H new ATOM 0 HG SER A 123 -4.359 -0.093 -21.448 1.00 0.00 H new ATOM 1855 N GLY A 124 -3.498 4.518 -23.292 1.00 0.00 N ATOM 1856 CA GLY A 124 -3.300 5.362 -24.456 1.00 0.00 C ATOM 1857 C GLY A 124 -2.778 4.588 -25.651 1.00 0.00 C ATOM 1858 O GLY A 124 -3.284 4.736 -26.763 1.00 0.00 O ATOM 0 H GLY A 124 -4.395 4.640 -22.822 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -4.244 5.839 -24.720 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -2.599 6.159 -24.208 1.00 0.00 H new TER 1862 GLY A 124