USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 569 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 64 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 38 MET CE :methyl -150:sc= -0.229 (180deg=-1.85!) USER MOD Set 2.2: A 48 MET CE :methyl 168:sc= -3.39! (180deg=-4.18!) USER MOD Set 3.1: A 20 THR OG1 : rot 79:sc= 0.595 USER MOD Set 3.2: A 51 TYR OH : rot -117:sc=0.000949 USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= 0.0172 USER MOD Set 4.2: A 6 HIS : no HD1:sc= 0 X(o=-1,f=-1) USER MOD Set 4.3: A 14 GLN : amide:sc= -1.05 K(o=-1,f=-6.4!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0.921 (180deg=0.921) USER MOD Single : A 3 LYS NZ :NH3+ -157:sc= 1.56! (180deg=0.937!) USER MOD Single : A 4 GLN : amide:sc= -1.52 K(o=-1.5,f=-5!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00555 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.537 USER MOD Single : A 16 LYS NZ :NH3+ -160:sc= 1.25 (180deg=1.2) USER MOD Single : A 18 GLN : amide:sc= -0.663 K(o=-0.66,f=-1.7!) USER MOD Single : A 22 SER OG : rot 82:sc= 1.08 USER MOD Single : A 24 LYS NZ :NH3+ -162:sc= 1.24 (180deg=0.883) USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= -0.0238 (180deg=-0.186) USER MOD Single : A 30 THR OG1 : rot -63:sc= 0.693 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 27:sc= 0.467 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0424 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0.357 K(o=0.36,f=-4.9!) USER MOD Single : A 52 TYR OH : rot 174:sc= 0.0998 USER MOD Single : A 58 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.65) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0436 USER MOD Single : A 74 HIS : no HE2:sc= 0.271 K(o=0.27,f=-1) USER MOD Single : A 75 HIS : no HD1:sc=-0.00129 X(o=-0.0013,f=-0.0013) USER MOD Single : A 76 HIS : no HD1:sc=-0.00594 X(o=-0.0059,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.807 6.560 -6.483 1.00 0.00 N ATOM 2 CA ALA A 1 -12.609 7.927 -6.955 1.00 0.00 C ATOM 3 C ALA A 1 -11.200 8.115 -7.525 1.00 0.00 C ATOM 4 O ALA A 1 -10.980 7.919 -8.728 1.00 0.00 O ATOM 5 CB ALA A 1 -12.916 8.949 -5.862 1.00 0.00 C ATOM 0 H1 ALA A 1 -13.770 6.460 -6.102 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.677 5.897 -7.274 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.115 6.347 -5.736 1.00 0.00 H new ATOM 0 HA ALA A 1 -13.317 8.103 -7.765 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.758 9.955 -6.250 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.953 8.842 -5.544 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.257 8.780 -5.011 1.00 0.00 H new ATOM 13 N ASP A 2 -10.246 8.437 -6.643 1.00 0.00 N ATOM 14 CA ASP A 2 -8.834 8.697 -6.995 1.00 0.00 C ATOM 15 C ASP A 2 -8.116 9.053 -5.718 1.00 0.00 C ATOM 16 O ASP A 2 -7.061 8.496 -5.382 1.00 0.00 O ATOM 17 CB ASP A 2 -8.695 9.883 -7.979 1.00 0.00 C ATOM 18 CG ASP A 2 -7.251 10.162 -8.380 1.00 0.00 C ATOM 19 OD1 ASP A 2 -6.824 9.725 -9.472 1.00 0.00 O ATOM 20 OD2 ASP A 2 -6.512 10.815 -7.621 1.00 0.00 O ATOM 0 H ASP A 2 -10.432 8.527 -5.644 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.417 7.812 -7.476 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.281 9.675 -8.874 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.118 10.778 -7.522 1.00 0.00 H new ATOM 25 N LYS A 3 -8.695 10.012 -5.032 1.00 0.00 N ATOM 26 CA LYS A 3 -8.262 10.466 -3.736 1.00 0.00 C ATOM 27 C LYS A 3 -9.509 10.691 -2.940 1.00 0.00 C ATOM 28 O LYS A 3 -10.612 10.662 -3.510 1.00 0.00 O ATOM 29 CB LYS A 3 -7.473 11.795 -3.821 1.00 0.00 C ATOM 30 CG LYS A 3 -6.194 11.725 -4.625 1.00 0.00 C ATOM 31 CD LYS A 3 -5.175 10.809 -3.978 1.00 0.00 C ATOM 32 CE LYS A 3 -4.038 10.518 -4.927 1.00 0.00 C ATOM 33 NZ LYS A 3 -4.514 9.797 -6.134 1.00 0.00 N ATOM 0 H LYS A 3 -9.512 10.515 -5.378 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.598 9.728 -3.286 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.119 12.557 -4.258 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.232 12.123 -2.810 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.416 11.370 -5.631 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.772 12.725 -4.726 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.788 11.272 -3.070 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.654 9.876 -3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.561 11.452 -5.223 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.281 9.921 -4.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -3.722 9.278 -6.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.262 9.127 -5.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.892 10.481 -6.820 1.00 0.00 H new ATOM 47 N GLN A 4 -9.355 10.931 -1.663 1.00 0.00 N ATOM 48 CA GLN A 4 -10.478 11.183 -0.793 1.00 0.00 C ATOM 49 C GLN A 4 -11.184 12.465 -1.194 1.00 0.00 C ATOM 50 O GLN A 4 -10.557 13.516 -1.384 1.00 0.00 O ATOM 51 CB GLN A 4 -10.043 11.207 0.668 1.00 0.00 C ATOM 52 CG GLN A 4 -8.899 12.160 0.976 1.00 0.00 C ATOM 53 CD GLN A 4 -8.468 12.067 2.412 1.00 0.00 C ATOM 54 OE1 GLN A 4 -9.258 11.780 3.282 1.00 0.00 O ATOM 55 NE2 GLN A 4 -7.209 12.266 2.660 1.00 0.00 N ATOM 0 H GLN A 4 -8.449 10.958 -1.196 1.00 0.00 H new ATOM 0 HA GLN A 4 -11.191 10.366 -0.901 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.900 11.480 1.284 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.747 10.200 0.961 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.053 11.934 0.327 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -9.207 13.182 0.754 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -6.572 12.507 1.901 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.858 12.182 3.614 1.00 0.00 H new ATOM 64 N THR A 5 -12.449 12.361 -1.389 1.00 0.00 N ATOM 65 CA THR A 5 -13.241 13.459 -1.813 1.00 0.00 C ATOM 66 C THR A 5 -14.130 13.963 -0.680 1.00 0.00 C ATOM 67 O THR A 5 -14.817 14.975 -0.814 1.00 0.00 O ATOM 68 CB THR A 5 -14.071 13.038 -3.030 1.00 0.00 C ATOM 69 OG1 THR A 5 -14.604 11.727 -2.791 1.00 0.00 O ATOM 70 CG2 THR A 5 -13.217 13.015 -4.294 1.00 0.00 C ATOM 0 H THR A 5 -12.972 11.496 -1.256 1.00 0.00 H new ATOM 0 HA THR A 5 -12.590 14.286 -2.097 1.00 0.00 H new ATOM 0 HB THR A 5 -14.876 13.759 -3.176 1.00 0.00 H new ATOM 0 HG1 THR A 5 -15.139 11.446 -3.562 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.831 12.713 -5.142 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.810 14.010 -4.476 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.399 12.306 -4.168 1.00 0.00 H new ATOM 78 N HIS A 6 -14.122 13.253 0.427 1.00 0.00 N ATOM 79 CA HIS A 6 -14.891 13.631 1.602 1.00 0.00 C ATOM 80 C HIS A 6 -14.041 13.453 2.828 1.00 0.00 C ATOM 81 O HIS A 6 -13.438 12.399 2.999 1.00 0.00 O ATOM 82 CB HIS A 6 -16.169 12.772 1.761 1.00 0.00 C ATOM 83 CG HIS A 6 -17.188 12.932 0.676 1.00 0.00 C ATOM 84 ND1 HIS A 6 -18.286 13.760 0.766 1.00 0.00 N ATOM 85 CD2 HIS A 6 -17.272 12.337 -0.533 1.00 0.00 C ATOM 86 CE1 HIS A 6 -18.981 13.647 -0.362 1.00 0.00 C ATOM 87 NE2 HIS A 6 -18.410 12.792 -1.187 1.00 0.00 N ATOM 0 H HIS A 6 -13.582 12.395 0.542 1.00 0.00 H new ATOM 0 HA HIS A 6 -15.191 14.672 1.479 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -15.878 11.723 1.811 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -16.636 13.019 2.714 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -16.567 11.621 -0.929 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -19.893 14.185 -0.574 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -18.736 12.520 -2.114 1.00 0.00 H new ATOM 95 N GLU A 7 -13.981 14.486 3.660 1.00 0.00 N ATOM 96 CA GLU A 7 -13.258 14.465 4.943 1.00 0.00 C ATOM 97 C GLU A 7 -11.750 14.246 4.786 1.00 0.00 C ATOM 98 O GLU A 7 -11.221 14.251 3.672 1.00 0.00 O ATOM 99 CB GLU A 7 -13.876 13.435 5.907 1.00 0.00 C ATOM 100 CG GLU A 7 -15.310 13.759 6.291 1.00 0.00 C ATOM 101 CD GLU A 7 -15.415 15.126 6.911 1.00 0.00 C ATOM 102 OE1 GLU A 7 -15.749 16.092 6.191 1.00 0.00 O ATOM 103 OE2 GLU A 7 -15.116 15.268 8.118 1.00 0.00 O ATOM 0 H GLU A 7 -14.437 15.378 3.467 1.00 0.00 H new ATOM 0 HA GLU A 7 -13.373 15.459 5.376 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.845 12.449 5.443 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.268 13.382 6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.946 13.709 5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.679 13.010 6.992 1.00 0.00 H new ATOM 110 N THR A 8 -11.068 14.119 5.903 1.00 0.00 N ATOM 111 CA THR A 8 -9.644 13.877 5.909 1.00 0.00 C ATOM 112 C THR A 8 -9.322 12.434 6.245 1.00 0.00 C ATOM 113 O THR A 8 -8.170 12.067 6.485 1.00 0.00 O ATOM 114 CB THR A 8 -8.939 14.848 6.849 1.00 0.00 C ATOM 115 OG1 THR A 8 -9.647 14.902 8.104 1.00 0.00 O ATOM 116 CG2 THR A 8 -8.887 16.231 6.227 1.00 0.00 C ATOM 0 H THR A 8 -11.486 14.181 6.832 1.00 0.00 H new ATOM 0 HA THR A 8 -9.268 14.055 4.901 1.00 0.00 H new ATOM 0 HB THR A 8 -7.920 14.502 7.022 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.193 15.525 8.709 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.381 16.917 6.907 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.341 16.186 5.285 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.901 16.585 6.042 1.00 0.00 H new ATOM 124 N GLU A 9 -10.333 11.629 6.214 1.00 0.00 N ATOM 125 CA GLU A 9 -10.206 10.229 6.406 1.00 0.00 C ATOM 126 C GLU A 9 -10.843 9.552 5.241 1.00 0.00 C ATOM 127 O GLU A 9 -11.939 9.929 4.813 1.00 0.00 O ATOM 128 CB GLU A 9 -10.782 9.796 7.744 1.00 0.00 C ATOM 129 CG GLU A 9 -12.186 10.295 8.046 1.00 0.00 C ATOM 130 CD GLU A 9 -12.643 9.896 9.425 1.00 0.00 C ATOM 131 OE1 GLU A 9 -13.635 9.135 9.546 1.00 0.00 O ATOM 132 OE2 GLU A 9 -12.024 10.333 10.421 1.00 0.00 O ATOM 0 H GLU A 9 -11.291 11.938 6.050 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.156 9.939 6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.787 8.707 7.782 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.115 10.140 8.535 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.212 11.381 7.956 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.879 9.897 7.305 1.00 0.00 H new ATOM 139 N LEU A 10 -10.188 8.575 4.719 1.00 0.00 N ATOM 140 CA LEU A 10 -10.615 8.001 3.489 1.00 0.00 C ATOM 141 C LEU A 10 -11.386 6.750 3.770 1.00 0.00 C ATOM 142 O LEU A 10 -11.425 6.276 4.900 1.00 0.00 O ATOM 143 CB LEU A 10 -9.444 7.645 2.562 1.00 0.00 C ATOM 144 CG LEU A 10 -8.221 8.557 2.512 1.00 0.00 C ATOM 145 CD1 LEU A 10 -7.314 8.274 3.682 1.00 0.00 C ATOM 146 CD2 LEU A 10 -7.477 8.375 1.198 1.00 0.00 C ATOM 0 H LEU A 10 -9.352 8.155 5.125 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.230 8.747 2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.098 6.650 2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.840 7.573 1.549 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.553 9.593 2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.445 8.930 3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.854 8.451 4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.986 7.235 3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.608 9.032 1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.151 7.339 1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.138 8.623 0.368 1.00 0.00 H new ATOM 158 N THR A 11 -11.974 6.200 2.761 1.00 0.00 N ATOM 159 CA THR A 11 -12.711 4.996 2.922 1.00 0.00 C ATOM 160 C THR A 11 -11.843 3.845 2.491 1.00 0.00 C ATOM 161 O THR A 11 -10.723 4.063 2.021 1.00 0.00 O ATOM 162 CB THR A 11 -14.002 5.026 2.096 1.00 0.00 C ATOM 163 OG1 THR A 11 -13.658 5.115 0.704 1.00 0.00 O ATOM 164 CG2 THR A 11 -14.836 6.236 2.464 1.00 0.00 C ATOM 0 H THR A 11 -11.957 6.570 1.810 1.00 0.00 H new ATOM 0 HA THR A 11 -12.994 4.882 3.969 1.00 0.00 H new ATOM 0 HB THR A 11 -14.574 4.120 2.298 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.476 5.133 0.165 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.749 6.243 1.869 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.093 6.193 3.522 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.267 7.144 2.266 1.00 0.00 H new ATOM 172 N PHE A 12 -12.349 2.639 2.622 1.00 0.00 N ATOM 173 CA PHE A 12 -11.599 1.469 2.252 1.00 0.00 C ATOM 174 C PHE A 12 -11.252 1.506 0.770 1.00 0.00 C ATOM 175 O PHE A 12 -10.134 1.220 0.347 1.00 0.00 O ATOM 176 CB PHE A 12 -12.357 0.183 2.632 1.00 0.00 C ATOM 177 CG PHE A 12 -11.652 -1.080 2.239 1.00 0.00 C ATOM 178 CD1 PHE A 12 -12.281 -2.031 1.459 1.00 0.00 C ATOM 179 CD2 PHE A 12 -10.351 -1.303 2.631 1.00 0.00 C ATOM 180 CE1 PHE A 12 -11.616 -3.181 1.082 1.00 0.00 C ATOM 181 CE2 PHE A 12 -9.688 -2.446 2.260 1.00 0.00 C ATOM 182 CZ PHE A 12 -10.318 -3.387 1.484 1.00 0.00 C ATOM 0 H PHE A 12 -13.283 2.447 2.985 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.663 1.465 2.811 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.521 0.175 3.710 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -13.340 0.200 2.160 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -13.301 -1.874 1.141 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.845 -0.568 3.239 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.116 -3.918 0.471 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.669 -2.605 2.579 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.796 -4.286 1.191 1.00 0.00 H new ATOM 192 N ASP A 13 -12.236 1.975 0.027 1.00 0.00 N ATOM 193 CA ASP A 13 -12.098 2.187 -1.414 1.00 0.00 C ATOM 194 C ASP A 13 -11.079 3.252 -1.748 1.00 0.00 C ATOM 195 O ASP A 13 -10.251 3.069 -2.622 1.00 0.00 O ATOM 196 CB ASP A 13 -13.434 2.454 -2.109 1.00 0.00 C ATOM 197 CG ASP A 13 -14.323 1.229 -2.172 1.00 0.00 C ATOM 198 OD1 ASP A 13 -15.493 1.309 -1.758 1.00 0.00 O ATOM 199 OD2 ASP A 13 -13.863 0.146 -2.620 1.00 0.00 O ATOM 0 H ASP A 13 -13.154 2.221 0.397 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.721 1.245 -1.811 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.959 3.250 -1.582 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -13.246 2.812 -3.121 1.00 0.00 H new ATOM 204 N GLN A 14 -11.076 4.311 -0.968 1.00 0.00 N ATOM 205 CA GLN A 14 -10.195 5.447 -1.215 1.00 0.00 C ATOM 206 C GLN A 14 -8.761 5.099 -0.815 1.00 0.00 C ATOM 207 O GLN A 14 -7.799 5.551 -1.430 1.00 0.00 O ATOM 208 CB GLN A 14 -10.684 6.670 -0.466 1.00 0.00 C ATOM 209 CG GLN A 14 -12.025 7.207 -0.919 1.00 0.00 C ATOM 210 CD GLN A 14 -11.969 7.925 -2.244 1.00 0.00 C ATOM 211 OE1 GLN A 14 -11.168 7.621 -3.126 1.00 0.00 O ATOM 212 NE2 GLN A 14 -12.807 8.893 -2.390 1.00 0.00 N ATOM 0 H GLN A 14 -11.676 4.415 -0.150 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.208 5.676 -2.280 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -10.747 6.426 0.595 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.940 7.460 -0.568 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.732 6.381 -0.992 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -12.409 7.889 -0.161 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -13.459 9.121 -1.639 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -12.818 9.432 -3.256 1.00 0.00 H new ATOM 221 N VAL A 15 -8.632 4.307 0.245 1.00 0.00 N ATOM 222 CA VAL A 15 -7.346 3.923 0.760 1.00 0.00 C ATOM 223 C VAL A 15 -6.715 2.967 -0.195 1.00 0.00 C ATOM 224 O VAL A 15 -5.510 3.027 -0.449 1.00 0.00 O ATOM 225 CB VAL A 15 -7.393 3.335 2.189 1.00 0.00 C ATOM 226 CG1 VAL A 15 -6.034 2.800 2.549 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.763 4.407 3.193 1.00 0.00 C ATOM 0 H VAL A 15 -9.422 3.920 0.762 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.744 4.827 0.849 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.140 2.542 2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.062 2.384 3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.751 2.020 1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.303 3.608 2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.791 3.975 4.193 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.021 5.205 3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.744 4.814 2.946 1.00 0.00 H new ATOM 237 N LYS A 16 -7.507 2.091 -0.725 1.00 0.00 N ATOM 238 CA LYS A 16 -7.057 1.207 -1.744 1.00 0.00 C ATOM 239 C LYS A 16 -6.502 2.011 -2.898 1.00 0.00 C ATOM 240 O LYS A 16 -5.408 1.771 -3.341 1.00 0.00 O ATOM 241 CB LYS A 16 -8.203 0.307 -2.194 1.00 0.00 C ATOM 242 CG LYS A 16 -8.443 -0.914 -1.298 1.00 0.00 C ATOM 243 CD LYS A 16 -9.581 -1.811 -1.806 1.00 0.00 C ATOM 244 CE LYS A 16 -10.897 -1.061 -1.841 1.00 0.00 C ATOM 245 NZ LYS A 16 -12.048 -1.885 -2.260 1.00 0.00 N ATOM 0 H LYS A 16 -8.485 1.971 -0.461 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.263 0.569 -1.357 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.118 0.898 -2.234 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.001 -0.037 -3.208 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.526 -1.499 -1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.675 -0.577 -0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.341 -2.176 -2.805 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.674 -2.685 -1.161 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.097 -0.653 -0.850 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.803 -0.214 -2.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.818 -1.266 -2.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.760 -2.515 -3.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.378 -2.455 -1.455 1.00 0.00 H new ATOM 259 N GLU A 17 -7.226 3.008 -3.311 1.00 0.00 N ATOM 260 CA GLU A 17 -6.774 3.880 -4.364 1.00 0.00 C ATOM 261 C GLU A 17 -5.489 4.684 -3.992 1.00 0.00 C ATOM 262 O GLU A 17 -4.705 5.019 -4.884 1.00 0.00 O ATOM 263 CB GLU A 17 -7.919 4.761 -4.864 1.00 0.00 C ATOM 264 CG GLU A 17 -9.060 3.928 -5.442 1.00 0.00 C ATOM 265 CD GLU A 17 -10.235 4.734 -5.926 1.00 0.00 C ATOM 266 OE1 GLU A 17 -11.229 4.889 -5.179 1.00 0.00 O ATOM 267 OE2 GLU A 17 -10.224 5.179 -7.081 1.00 0.00 O ATOM 0 H GLU A 17 -8.143 3.243 -2.932 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.463 3.250 -5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.294 5.372 -4.043 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.546 5.446 -5.626 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.676 3.334 -6.271 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.404 3.228 -4.681 1.00 0.00 H new ATOM 274 N GLN A 18 -5.225 4.948 -2.668 1.00 0.00 N ATOM 275 CA GLN A 18 -4.003 5.678 -2.288 1.00 0.00 C ATOM 276 C GLN A 18 -2.829 4.771 -2.522 1.00 0.00 C ATOM 277 O GLN A 18 -1.823 5.126 -3.154 1.00 0.00 O ATOM 278 CB GLN A 18 -4.037 6.276 -0.832 1.00 0.00 C ATOM 279 CG GLN A 18 -3.788 5.309 0.308 1.00 0.00 C ATOM 280 CD GLN A 18 -3.625 5.978 1.665 1.00 0.00 C ATOM 281 OE1 GLN A 18 -2.514 6.311 2.078 1.00 0.00 O ATOM 282 NE2 GLN A 18 -4.711 6.174 2.364 1.00 0.00 N ATOM 0 H GLN A 18 -5.824 4.672 -1.890 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.918 6.564 -2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.293 7.070 -0.773 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.011 6.740 -0.678 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.617 4.604 0.360 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.890 4.730 0.090 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.616 5.886 1.992 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.654 6.615 3.282 1.00 0.00 H new ATOM 291 N LEU A 19 -2.995 3.597 -2.020 1.00 0.00 N ATOM 292 CA LEU A 19 -2.032 2.571 -2.045 1.00 0.00 C ATOM 293 C LEU A 19 -1.776 2.071 -3.446 1.00 0.00 C ATOM 294 O LEU A 19 -0.627 1.868 -3.834 1.00 0.00 O ATOM 295 CB LEU A 19 -2.519 1.474 -1.165 1.00 0.00 C ATOM 296 CG LEU A 19 -2.409 1.679 0.348 1.00 0.00 C ATOM 297 CD1 LEU A 19 -3.059 0.532 1.069 1.00 0.00 C ATOM 298 CD2 LEU A 19 -0.956 1.820 0.783 1.00 0.00 C ATOM 0 H LEU A 19 -3.860 3.319 -1.556 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.078 2.955 -1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.567 1.291 -1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.970 0.568 -1.422 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.926 2.604 0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.977 0.685 2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.111 0.476 0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.561 -0.398 0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.912 1.964 1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.407 0.918 0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.508 2.679 0.283 1.00 0.00 H new ATOM 310 N THR A 20 -2.841 1.922 -4.197 1.00 0.00 N ATOM 311 CA THR A 20 -2.770 1.458 -5.557 1.00 0.00 C ATOM 312 C THR A 20 -1.890 2.361 -6.374 1.00 0.00 C ATOM 313 O THR A 20 -0.892 1.907 -6.929 1.00 0.00 O ATOM 314 CB THR A 20 -4.188 1.394 -6.183 1.00 0.00 C ATOM 315 OG1 THR A 20 -4.940 0.338 -5.581 1.00 0.00 O ATOM 316 CG2 THR A 20 -4.155 1.233 -7.703 1.00 0.00 C ATOM 0 H THR A 20 -3.788 2.122 -3.876 1.00 0.00 H new ATOM 0 HA THR A 20 -2.341 0.456 -5.555 1.00 0.00 H new ATOM 0 HB THR A 20 -4.675 2.348 -5.982 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.275 0.631 -4.708 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.174 1.194 -8.087 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.632 2.080 -8.147 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.635 0.310 -7.960 1.00 0.00 H new ATOM 324 N GLU A 21 -2.184 3.641 -6.337 1.00 0.00 N ATOM 325 CA GLU A 21 -1.485 4.597 -7.164 1.00 0.00 C ATOM 326 C GLU A 21 -0.016 4.672 -6.789 1.00 0.00 C ATOM 327 O GLU A 21 0.857 4.704 -7.645 1.00 0.00 O ATOM 328 CB GLU A 21 -2.150 5.945 -7.078 1.00 0.00 C ATOM 329 CG GLU A 21 -1.516 7.000 -7.961 1.00 0.00 C ATOM 330 CD GLU A 21 -2.281 8.279 -7.951 1.00 0.00 C ATOM 331 OE1 GLU A 21 -3.058 8.521 -8.885 1.00 0.00 O ATOM 332 OE2 GLU A 21 -2.139 9.069 -7.012 1.00 0.00 O ATOM 0 H GLU A 21 -2.906 4.045 -5.740 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.535 4.263 -8.200 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.200 5.839 -7.352 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.123 6.287 -6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.496 7.187 -7.625 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.452 6.625 -8.983 1.00 0.00 H new ATOM 339 N SER A 22 0.234 4.627 -5.505 1.00 0.00 N ATOM 340 CA SER A 22 1.580 4.695 -4.988 1.00 0.00 C ATOM 341 C SER A 22 2.397 3.498 -5.476 1.00 0.00 C ATOM 342 O SER A 22 3.524 3.650 -5.958 1.00 0.00 O ATOM 343 CB SER A 22 1.547 4.773 -3.464 1.00 0.00 C ATOM 344 OG SER A 22 0.848 5.943 -3.046 1.00 0.00 O ATOM 0 H SER A 22 -0.487 4.542 -4.789 1.00 0.00 H new ATOM 0 HA SER A 22 2.066 5.597 -5.360 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.061 3.886 -3.058 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.564 4.788 -3.071 1.00 0.00 H new ATOM 0 HG SER A 22 -0.117 5.772 -3.064 1.00 0.00 H new ATOM 350 N GLY A 23 1.790 2.323 -5.424 1.00 0.00 N ATOM 351 CA GLY A 23 2.430 1.120 -5.883 1.00 0.00 C ATOM 352 C GLY A 23 2.651 1.137 -7.374 1.00 0.00 C ATOM 353 O GLY A 23 3.647 0.646 -7.856 1.00 0.00 O ATOM 0 H GLY A 23 0.846 2.186 -5.063 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.387 1.001 -5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.818 0.258 -5.616 1.00 0.00 H new ATOM 357 N LYS A 24 1.709 1.733 -8.076 1.00 0.00 N ATOM 358 CA LYS A 24 1.772 1.862 -9.531 1.00 0.00 C ATOM 359 C LYS A 24 2.964 2.704 -9.961 1.00 0.00 C ATOM 360 O LYS A 24 3.611 2.412 -10.973 1.00 0.00 O ATOM 361 CB LYS A 24 0.492 2.490 -10.055 1.00 0.00 C ATOM 362 CG LYS A 24 -0.769 1.643 -9.867 1.00 0.00 C ATOM 363 CD LYS A 24 -0.940 0.529 -10.893 1.00 0.00 C ATOM 364 CE LYS A 24 -1.067 1.090 -12.295 1.00 0.00 C ATOM 365 NZ LYS A 24 -1.492 0.082 -13.295 1.00 0.00 N ATOM 0 H LYS A 24 0.874 2.145 -7.660 1.00 0.00 H new ATOM 0 HA LYS A 24 1.888 0.862 -9.949 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.345 3.448 -9.557 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.616 2.699 -11.118 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.750 1.202 -8.870 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.640 2.297 -9.910 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.087 -0.147 -10.845 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.826 -0.058 -10.652 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.786 1.909 -12.287 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.108 1.511 -12.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.271 0.427 -14.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.987 -0.811 -13.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.516 -0.078 -13.213 1.00 0.00 H new ATOM 379 N LYS A 25 3.271 3.723 -9.176 1.00 0.00 N ATOM 380 CA LYS A 25 4.351 4.642 -9.462 1.00 0.00 C ATOM 381 C LYS A 25 5.686 4.010 -9.169 1.00 0.00 C ATOM 382 O LYS A 25 6.649 4.169 -9.915 1.00 0.00 O ATOM 383 CB LYS A 25 4.168 5.912 -8.628 1.00 0.00 C ATOM 384 CG LYS A 25 2.875 6.654 -8.942 1.00 0.00 C ATOM 385 CD LYS A 25 2.610 7.813 -7.982 1.00 0.00 C ATOM 386 CE LYS A 25 3.670 8.893 -8.079 1.00 0.00 C ATOM 387 NZ LYS A 25 3.720 9.505 -9.426 1.00 0.00 N ATOM 0 H LYS A 25 2.769 3.935 -8.313 1.00 0.00 H new ATOM 0 HA LYS A 25 4.328 4.896 -10.522 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.181 5.649 -7.570 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.013 6.578 -8.802 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.919 7.036 -9.962 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.040 5.954 -8.899 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.633 8.245 -8.198 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.572 7.435 -6.960 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.468 9.666 -7.337 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.644 8.467 -7.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.319 10.355 -9.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.117 8.823 -10.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.759 9.768 -9.724 1.00 0.00 H new ATOM 401 N ARG A 26 5.732 3.291 -8.076 1.00 0.00 N ATOM 402 CA ARG A 26 6.970 2.684 -7.626 1.00 0.00 C ATOM 403 C ARG A 26 7.256 1.410 -8.386 1.00 0.00 C ATOM 404 O ARG A 26 8.334 1.199 -8.928 1.00 0.00 O ATOM 405 CB ARG A 26 6.900 2.324 -6.153 1.00 0.00 C ATOM 406 CG ARG A 26 6.531 3.439 -5.210 1.00 0.00 C ATOM 407 CD ARG A 26 6.457 2.878 -3.815 1.00 0.00 C ATOM 408 NE ARG A 26 5.864 3.786 -2.849 1.00 0.00 N ATOM 409 CZ ARG A 26 5.421 3.393 -1.647 1.00 0.00 C ATOM 410 NH1 ARG A 26 5.619 2.135 -1.241 1.00 0.00 N ATOM 411 NH2 ARG A 26 4.802 4.245 -0.850 1.00 0.00 N ATOM 0 H ARG A 26 4.927 3.108 -7.477 1.00 0.00 H new ATOM 0 HA ARG A 26 7.757 3.418 -7.800 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.175 1.519 -6.032 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.870 1.928 -5.851 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.272 4.237 -5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.573 3.875 -5.495 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.878 1.955 -3.835 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.462 2.617 -3.485 1.00 0.00 H new ATOM 0 HE ARG A 26 5.781 4.772 -3.098 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.107 1.475 -1.846 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.282 1.835 -0.326 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.658 5.210 -1.148 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.468 3.938 0.063 1.00 0.00 H new ATOM 425 N GLY A 27 6.242 0.580 -8.415 1.00 0.00 N ATOM 426 CA GLY A 27 6.307 -0.721 -8.978 1.00 0.00 C ATOM 427 C GLY A 27 6.232 -1.734 -7.886 1.00 0.00 C ATOM 428 O GLY A 27 6.239 -2.936 -8.135 1.00 0.00 O ATOM 0 H GLY A 27 5.325 0.811 -8.032 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.488 -0.867 -9.682 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.234 -0.841 -9.539 1.00 0.00 H new ATOM 432 N VAL A 28 6.101 -1.252 -6.660 1.00 0.00 N ATOM 433 CA VAL A 28 6.127 -2.111 -5.521 1.00 0.00 C ATOM 434 C VAL A 28 5.535 -1.417 -4.300 1.00 0.00 C ATOM 435 O VAL A 28 5.488 -0.180 -4.236 1.00 0.00 O ATOM 436 CB VAL A 28 7.581 -2.537 -5.234 1.00 0.00 C ATOM 437 CG1 VAL A 28 8.443 -1.391 -4.734 1.00 0.00 C ATOM 438 CG2 VAL A 28 7.647 -3.717 -4.334 1.00 0.00 C ATOM 0 H VAL A 28 5.976 -0.263 -6.444 1.00 0.00 H new ATOM 0 HA VAL A 28 5.522 -2.992 -5.734 1.00 0.00 H new ATOM 0 HB VAL A 28 8.004 -2.839 -6.192 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.455 -1.751 -4.549 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.470 -0.602 -5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.023 -0.997 -3.808 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.689 -3.983 -4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.169 -3.477 -3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.131 -4.558 -4.798 1.00 0.00 H new ATOM 448 N LEU A 29 5.053 -2.221 -3.387 1.00 0.00 N ATOM 449 CA LEU A 29 4.530 -1.793 -2.122 1.00 0.00 C ATOM 450 C LEU A 29 4.931 -2.798 -1.055 1.00 0.00 C ATOM 451 O LEU A 29 5.097 -3.976 -1.366 1.00 0.00 O ATOM 452 CB LEU A 29 3.003 -1.736 -2.168 1.00 0.00 C ATOM 453 CG LEU A 29 2.350 -0.569 -2.896 1.00 0.00 C ATOM 454 CD1 LEU A 29 0.854 -0.767 -2.949 1.00 0.00 C ATOM 455 CD2 LEU A 29 2.664 0.745 -2.210 1.00 0.00 C ATOM 0 H LEU A 29 5.014 -3.232 -3.513 1.00 0.00 H new ATOM 0 HA LEU A 29 4.927 -0.803 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.649 -2.657 -2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.638 -1.734 -1.141 1.00 0.00 H new ATOM 0 HG LEU A 29 2.751 -0.535 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.394 0.072 -3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.628 -1.692 -3.479 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.458 -0.824 -1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.185 1.561 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.290 0.719 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.743 0.901 -2.199 1.00 0.00 H new ATOM 467 N THR A 30 5.139 -2.344 0.161 1.00 0.00 N ATOM 468 CA THR A 30 5.349 -3.245 1.280 1.00 0.00 C ATOM 469 C THR A 30 3.994 -3.778 1.736 1.00 0.00 C ATOM 470 O THR A 30 2.976 -3.093 1.583 1.00 0.00 O ATOM 471 CB THR A 30 6.016 -2.548 2.502 1.00 0.00 C ATOM 472 OG1 THR A 30 5.281 -1.411 2.906 1.00 0.00 O ATOM 473 CG2 THR A 30 7.438 -2.155 2.246 1.00 0.00 C ATOM 0 H THR A 30 5.168 -1.354 0.404 1.00 0.00 H new ATOM 0 HA THR A 30 6.014 -4.037 0.935 1.00 0.00 H new ATOM 0 HB THR A 30 6.015 -3.288 3.302 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.281 -0.748 2.184 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.848 -1.674 3.134 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.024 -3.043 2.011 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.478 -1.461 1.406 1.00 0.00 H new ATOM 481 N TYR A 31 3.965 -4.973 2.294 1.00 0.00 N ATOM 482 CA TYR A 31 2.710 -5.525 2.814 1.00 0.00 C ATOM 483 C TYR A 31 2.217 -4.679 3.980 1.00 0.00 C ATOM 484 O TYR A 31 1.020 -4.401 4.118 1.00 0.00 O ATOM 485 CB TYR A 31 2.866 -6.979 3.318 1.00 0.00 C ATOM 486 CG TYR A 31 3.227 -8.019 2.279 1.00 0.00 C ATOM 487 CD1 TYR A 31 4.471 -8.617 2.283 1.00 0.00 C ATOM 488 CD2 TYR A 31 2.321 -8.409 1.307 1.00 0.00 C ATOM 489 CE1 TYR A 31 4.810 -9.572 1.350 1.00 0.00 C ATOM 490 CE2 TYR A 31 2.646 -9.364 0.370 1.00 0.00 C ATOM 491 CZ TYR A 31 3.893 -9.942 0.394 1.00 0.00 C ATOM 492 OH TYR A 31 4.226 -10.900 -0.541 1.00 0.00 O ATOM 0 H TYR A 31 4.778 -5.579 2.402 1.00 0.00 H new ATOM 0 HA TYR A 31 2.000 -5.516 1.987 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.632 -6.991 4.093 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.930 -7.279 3.790 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.193 -8.330 3.033 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.341 -7.956 1.284 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.789 -10.027 1.369 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.926 -9.657 -0.379 1.00 0.00 H new ATOM 0 HH TYR A 31 3.467 -11.047 -1.143 1.00 0.00 H new ATOM 502 N GLU A 32 3.156 -4.225 4.774 1.00 0.00 N ATOM 503 CA GLU A 32 2.850 -3.553 6.003 1.00 0.00 C ATOM 504 C GLU A 32 2.381 -2.105 5.857 1.00 0.00 C ATOM 505 O GLU A 32 1.597 -1.644 6.683 1.00 0.00 O ATOM 506 CB GLU A 32 3.975 -3.732 7.001 1.00 0.00 C ATOM 507 CG GLU A 32 4.166 -5.201 7.354 1.00 0.00 C ATOM 508 CD GLU A 32 5.270 -5.453 8.327 1.00 0.00 C ATOM 509 OE1 GLU A 32 6.351 -5.863 7.906 1.00 0.00 O ATOM 510 OE2 GLU A 32 5.057 -5.272 9.546 1.00 0.00 O ATOM 0 H GLU A 32 4.154 -4.314 4.582 1.00 0.00 H new ATOM 0 HA GLU A 32 1.964 -4.044 6.404 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.900 -3.331 6.587 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.758 -3.163 7.905 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.235 -5.589 7.768 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.366 -5.761 6.440 1.00 0.00 H new ATOM 517 N GLU A 33 2.787 -1.392 4.798 1.00 0.00 N ATOM 518 CA GLU A 33 2.280 -0.019 4.622 1.00 0.00 C ATOM 519 C GLU A 33 0.824 -0.114 4.198 1.00 0.00 C ATOM 520 O GLU A 33 -0.020 0.729 4.550 1.00 0.00 O ATOM 521 CB GLU A 33 3.101 0.783 3.592 1.00 0.00 C ATOM 522 CG GLU A 33 2.922 0.343 2.145 1.00 0.00 C ATOM 523 CD GLU A 33 3.895 1.003 1.214 1.00 0.00 C ATOM 524 OE1 GLU A 33 4.882 0.340 0.807 1.00 0.00 O ATOM 525 OE2 GLU A 33 3.701 2.188 0.862 1.00 0.00 O ATOM 0 H GLU A 33 3.433 -1.719 4.080 1.00 0.00 H new ATOM 0 HA GLU A 33 2.373 0.521 5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.829 1.835 3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.157 0.706 3.852 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.041 -0.739 2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.906 0.571 1.823 1.00 0.00 H new ATOM 532 N ILE A 34 0.534 -1.199 3.492 1.00 0.00 N ATOM 533 CA ILE A 34 -0.783 -1.507 3.035 1.00 0.00 C ATOM 534 C ILE A 34 -1.671 -1.833 4.214 1.00 0.00 C ATOM 535 O ILE A 34 -2.789 -1.332 4.316 1.00 0.00 O ATOM 536 CB ILE A 34 -0.759 -2.667 2.024 1.00 0.00 C ATOM 537 CG1 ILE A 34 -0.005 -2.233 0.766 1.00 0.00 C ATOM 538 CG2 ILE A 34 -2.171 -3.116 1.683 1.00 0.00 C ATOM 539 CD1 ILE A 34 0.210 -3.339 -0.228 1.00 0.00 C ATOM 0 H ILE A 34 1.232 -1.893 3.224 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.189 -0.635 2.522 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.242 -3.517 2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.557 -1.427 0.283 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.963 -1.826 1.057 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.129 -3.937 0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.675 -3.451 2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.723 -2.283 1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.751 -2.952 -1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.790 -4.137 0.236 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.755 -3.731 -0.550 1.00 0.00 H new ATOM 551 N ALA A 35 -1.124 -2.589 5.172 1.00 0.00 N ATOM 552 CA ALA A 35 -1.814 -3.009 6.360 1.00 0.00 C ATOM 553 C ALA A 35 -2.097 -1.817 7.251 1.00 0.00 C ATOM 554 O ALA A 35 -3.181 -1.678 7.824 1.00 0.00 O ATOM 555 CB ALA A 35 -0.989 -4.049 7.106 1.00 0.00 C ATOM 0 H ALA A 35 -0.162 -2.926 5.125 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.764 -3.460 6.074 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.522 -4.360 8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.826 -4.914 6.463 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.027 -3.619 7.385 1.00 0.00 H new ATOM 561 N GLU A 36 -1.098 -0.940 7.335 1.00 0.00 N ATOM 562 CA GLU A 36 -1.107 0.206 8.214 1.00 0.00 C ATOM 563 C GLU A 36 -2.264 1.137 7.921 1.00 0.00 C ATOM 564 O GLU A 36 -2.951 1.583 8.835 1.00 0.00 O ATOM 565 CB GLU A 36 0.223 0.955 8.133 1.00 0.00 C ATOM 566 CG GLU A 36 0.343 2.112 9.110 1.00 0.00 C ATOM 567 CD GLU A 36 1.660 2.818 9.006 1.00 0.00 C ATOM 568 OE1 GLU A 36 1.730 3.875 8.361 1.00 0.00 O ATOM 569 OE2 GLU A 36 2.651 2.336 9.558 1.00 0.00 O ATOM 0 H GLU A 36 -0.247 -1.017 6.778 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.240 -0.164 9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.035 0.252 8.317 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.353 1.334 7.119 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.462 2.823 8.926 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.213 1.740 10.126 1.00 0.00 H new ATOM 576 N ARG A 37 -2.518 1.413 6.644 1.00 0.00 N ATOM 577 CA ARG A 37 -3.626 2.271 6.274 1.00 0.00 C ATOM 578 C ARG A 37 -4.959 1.589 6.545 1.00 0.00 C ATOM 579 O ARG A 37 -5.930 2.237 6.922 1.00 0.00 O ATOM 580 CB ARG A 37 -3.551 2.647 4.799 1.00 0.00 C ATOM 581 CG ARG A 37 -2.318 3.418 4.380 1.00 0.00 C ATOM 582 CD ARG A 37 -2.173 4.696 5.182 1.00 0.00 C ATOM 583 NE ARG A 37 -1.099 5.547 4.668 1.00 0.00 N ATOM 584 CZ ARG A 37 0.063 5.783 5.297 1.00 0.00 C ATOM 585 NH1 ARG A 37 0.387 5.070 6.372 1.00 0.00 N ATOM 586 NH2 ARG A 37 0.908 6.694 4.829 1.00 0.00 N ATOM 0 H ARG A 37 -1.974 1.056 5.859 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.555 3.173 6.882 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.604 1.733 4.207 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.430 3.240 4.549 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.433 2.797 4.517 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.378 3.657 3.318 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.114 5.246 5.160 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.972 4.449 6.225 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.245 5.995 3.763 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.246 4.348 6.715 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.269 5.245 6.854 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.676 7.220 3.986 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.789 6.868 5.312 1.00 0.00 H new ATOM 600 N MET A 38 -4.982 0.272 6.429 1.00 0.00 N ATOM 601 CA MET A 38 -6.221 -0.483 6.594 1.00 0.00 C ATOM 602 C MET A 38 -6.521 -0.745 8.059 1.00 0.00 C ATOM 603 O MET A 38 -7.541 -1.348 8.388 1.00 0.00 O ATOM 604 CB MET A 38 -6.178 -1.813 5.842 1.00 0.00 C ATOM 605 CG MET A 38 -5.886 -1.694 4.366 1.00 0.00 C ATOM 606 SD MET A 38 -7.057 -0.648 3.491 1.00 0.00 S ATOM 607 CE MET A 38 -6.454 -0.834 1.823 1.00 0.00 C ATOM 0 H MET A 38 -4.162 -0.298 6.222 1.00 0.00 H new ATOM 0 HA MET A 38 -7.016 0.132 6.173 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.419 -2.449 6.299 1.00 0.00 H new ATOM 0 HB3 MET A 38 -7.136 -2.318 5.970 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.881 -1.293 4.233 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.894 -2.688 3.920 1.00 0.00 H new ATOM 0 HE1 MET A 38 -6.662 0.074 1.257 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.379 -1.011 1.842 1.00 0.00 H new ATOM 0 HE3 MET A 38 -6.952 -1.679 1.348 1.00 0.00 H new ATOM 617 N SER A 39 -5.667 -0.249 8.939 1.00 0.00 N ATOM 618 CA SER A 39 -5.841 -0.453 10.370 1.00 0.00 C ATOM 619 C SER A 39 -6.977 0.427 10.924 1.00 0.00 C ATOM 620 O SER A 39 -7.420 0.251 12.055 1.00 0.00 O ATOM 621 CB SER A 39 -4.538 -0.159 11.092 1.00 0.00 C ATOM 622 OG SER A 39 -3.463 -0.916 10.523 1.00 0.00 O ATOM 0 H SER A 39 -4.844 0.299 8.688 1.00 0.00 H new ATOM 0 HA SER A 39 -6.117 -1.494 10.540 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.313 0.906 11.029 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.640 -0.401 12.150 1.00 0.00 H new ATOM 0 HG SER A 39 -3.659 -1.106 9.582 1.00 0.00 H new ATOM 628 N SER A 40 -7.431 1.369 10.122 1.00 0.00 N ATOM 629 CA SER A 40 -8.536 2.215 10.492 1.00 0.00 C ATOM 630 C SER A 40 -9.853 1.466 10.260 1.00 0.00 C ATOM 631 O SER A 40 -10.874 1.713 10.926 1.00 0.00 O ATOM 632 CB SER A 40 -8.464 3.501 9.670 1.00 0.00 C ATOM 633 OG SER A 40 -8.207 3.205 8.299 1.00 0.00 O ATOM 0 H SER A 40 -7.043 1.565 9.200 1.00 0.00 H new ATOM 0 HA SER A 40 -8.486 2.477 11.549 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.402 4.050 9.760 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.678 4.146 10.062 1.00 0.00 H new ATOM 0 HG SER A 40 -8.166 4.039 7.786 1.00 0.00 H new ATOM 639 N PHE A 41 -9.805 0.551 9.318 1.00 0.00 N ATOM 640 CA PHE A 41 -10.927 -0.291 8.974 1.00 0.00 C ATOM 641 C PHE A 41 -10.741 -1.627 9.673 1.00 0.00 C ATOM 642 O PHE A 41 -9.885 -1.755 10.546 1.00 0.00 O ATOM 643 CB PHE A 41 -10.934 -0.510 7.457 1.00 0.00 C ATOM 644 CG PHE A 41 -10.727 0.742 6.686 1.00 0.00 C ATOM 645 CD1 PHE A 41 -11.590 1.816 6.821 1.00 0.00 C ATOM 646 CD2 PHE A 41 -9.648 0.853 5.843 1.00 0.00 C ATOM 647 CE1 PHE A 41 -11.367 2.977 6.126 1.00 0.00 C ATOM 648 CE2 PHE A 41 -9.424 2.003 5.144 1.00 0.00 C ATOM 649 CZ PHE A 41 -10.282 3.070 5.288 1.00 0.00 C ATOM 0 H PHE A 41 -8.971 0.369 8.760 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.866 0.170 9.280 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.153 -1.224 7.196 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.885 -0.956 7.165 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -12.444 1.739 7.478 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -8.969 0.020 5.732 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -12.041 3.814 6.237 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -8.576 2.076 4.479 1.00 0.00 H new ATOM 0 HZ PHE A 41 -10.102 3.983 4.740 1.00 0.00 H new ATOM 659 N GLU A 42 -11.521 -2.604 9.303 1.00 0.00 N ATOM 660 CA GLU A 42 -11.394 -3.938 9.845 1.00 0.00 C ATOM 661 C GLU A 42 -11.219 -4.881 8.682 1.00 0.00 C ATOM 662 O GLU A 42 -12.189 -5.463 8.186 1.00 0.00 O ATOM 663 CB GLU A 42 -12.635 -4.325 10.642 1.00 0.00 C ATOM 664 CG GLU A 42 -12.989 -3.350 11.744 1.00 0.00 C ATOM 665 CD GLU A 42 -14.256 -3.723 12.437 1.00 0.00 C ATOM 666 OE1 GLU A 42 -14.204 -4.531 13.384 1.00 0.00 O ATOM 667 OE2 GLU A 42 -15.334 -3.223 12.046 1.00 0.00 O ATOM 0 H GLU A 42 -12.267 -2.502 8.615 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.541 -3.985 10.522 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.481 -4.408 9.960 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.480 -5.311 11.080 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.177 -3.313 12.470 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.087 -2.349 11.324 1.00 0.00 H new ATOM 674 N ILE A 43 -10.017 -4.972 8.190 1.00 0.00 N ATOM 675 CA ILE A 43 -9.768 -5.735 7.004 1.00 0.00 C ATOM 676 C ILE A 43 -9.054 -7.013 7.325 1.00 0.00 C ATOM 677 O ILE A 43 -7.924 -7.020 7.809 1.00 0.00 O ATOM 678 CB ILE A 43 -8.951 -4.929 5.987 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.578 -3.558 5.773 1.00 0.00 C ATOM 680 CG2 ILE A 43 -8.845 -5.673 4.666 1.00 0.00 C ATOM 681 CD1 ILE A 43 -10.984 -3.608 5.208 1.00 0.00 C ATOM 0 H ILE A 43 -9.193 -4.526 8.594 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.736 -5.973 6.564 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.945 -4.797 6.385 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.598 -3.026 6.724 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.946 -2.981 5.098 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.261 -5.081 3.961 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.355 -6.633 4.827 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.843 -5.839 4.261 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.363 -2.593 5.084 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -10.970 -4.111 4.241 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.632 -4.156 5.892 1.00 0.00 H new ATOM 693 N GLU A 44 -9.719 -8.073 7.043 1.00 0.00 N ATOM 694 CA GLU A 44 -9.224 -9.402 7.258 1.00 0.00 C ATOM 695 C GLU A 44 -8.253 -9.782 6.161 1.00 0.00 C ATOM 696 O GLU A 44 -8.249 -9.172 5.082 1.00 0.00 O ATOM 697 CB GLU A 44 -10.396 -10.353 7.271 1.00 0.00 C ATOM 698 CG GLU A 44 -11.448 -9.994 8.306 1.00 0.00 C ATOM 699 CD GLU A 44 -10.932 -10.081 9.724 1.00 0.00 C ATOM 700 OE1 GLU A 44 -10.453 -11.159 10.130 1.00 0.00 O ATOM 701 OE2 GLU A 44 -11.030 -9.096 10.471 1.00 0.00 O ATOM 0 H GLU A 44 -10.656 -8.049 6.642 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.696 -9.452 8.210 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.857 -10.365 6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -10.034 -11.363 7.466 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.806 -8.982 8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.303 -10.661 8.194 1.00 0.00 H new ATOM 708 N SER A 45 -7.461 -10.785 6.426 1.00 0.00 N ATOM 709 CA SER A 45 -6.454 -11.267 5.516 1.00 0.00 C ATOM 710 C SER A 45 -7.034 -11.679 4.154 1.00 0.00 C ATOM 711 O SER A 45 -6.383 -11.504 3.144 1.00 0.00 O ATOM 712 CB SER A 45 -5.719 -12.419 6.157 1.00 0.00 C ATOM 713 OG SER A 45 -5.083 -12.015 7.355 1.00 0.00 O ATOM 0 H SER A 45 -7.498 -11.304 7.303 1.00 0.00 H new ATOM 0 HA SER A 45 -5.762 -10.449 5.316 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.418 -13.228 6.368 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.977 -12.812 5.462 1.00 0.00 H new ATOM 0 HG SER A 45 -4.616 -12.780 7.751 1.00 0.00 H new ATOM 719 N ASP A 46 -8.268 -12.185 4.130 1.00 0.00 N ATOM 720 CA ASP A 46 -8.902 -12.578 2.855 1.00 0.00 C ATOM 721 C ASP A 46 -9.156 -11.356 2.009 1.00 0.00 C ATOM 722 O ASP A 46 -8.895 -11.347 0.804 1.00 0.00 O ATOM 723 CB ASP A 46 -10.220 -13.328 3.067 1.00 0.00 C ATOM 724 CG ASP A 46 -10.054 -14.658 3.749 1.00 0.00 C ATOM 725 OD1 ASP A 46 -10.220 -14.720 4.978 1.00 0.00 O ATOM 726 OD2 ASP A 46 -9.778 -15.667 3.066 1.00 0.00 O ATOM 0 H ASP A 46 -8.845 -12.333 4.958 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.212 -13.253 2.348 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.891 -12.706 3.660 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.700 -13.482 2.101 1.00 0.00 H new ATOM 731 N GLN A 47 -9.621 -10.304 2.662 1.00 0.00 N ATOM 732 CA GLN A 47 -9.892 -9.043 2.006 1.00 0.00 C ATOM 733 C GLN A 47 -8.578 -8.432 1.543 1.00 0.00 C ATOM 734 O GLN A 47 -8.480 -7.873 0.455 1.00 0.00 O ATOM 735 CB GLN A 47 -10.581 -8.096 2.966 1.00 0.00 C ATOM 736 CG GLN A 47 -11.852 -8.643 3.563 1.00 0.00 C ATOM 737 CD GLN A 47 -12.531 -7.641 4.460 1.00 0.00 C ATOM 738 OE1 GLN A 47 -12.270 -7.589 5.666 1.00 0.00 O ATOM 739 NE2 GLN A 47 -13.391 -6.842 3.893 1.00 0.00 N ATOM 0 H GLN A 47 -9.820 -10.304 3.662 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.544 -9.213 1.149 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.891 -7.847 3.772 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.808 -7.167 2.443 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -12.533 -8.933 2.763 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.626 -9.545 4.132 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -13.577 -6.919 2.893 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.878 -6.139 4.449 1.00 0.00 H new ATOM 748 N MET A 48 -7.561 -8.564 2.386 1.00 0.00 N ATOM 749 CA MET A 48 -6.233 -8.089 2.064 1.00 0.00 C ATOM 750 C MET A 48 -5.642 -8.845 0.881 1.00 0.00 C ATOM 751 O MET A 48 -5.074 -8.230 -0.004 1.00 0.00 O ATOM 752 CB MET A 48 -5.282 -8.149 3.268 1.00 0.00 C ATOM 753 CG MET A 48 -5.481 -7.068 4.338 1.00 0.00 C ATOM 754 SD MET A 48 -4.700 -5.451 3.963 1.00 0.00 S ATOM 755 CE MET A 48 -5.529 -4.891 2.479 1.00 0.00 C ATOM 0 H MET A 48 -7.639 -9.001 3.304 1.00 0.00 H new ATOM 0 HA MET A 48 -6.341 -7.041 1.785 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.389 -9.125 3.742 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.258 -8.084 2.900 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.550 -6.913 4.482 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.082 -7.436 5.283 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.284 -3.844 2.298 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.202 -5.492 1.631 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.607 -4.995 2.603 1.00 0.00 H new ATOM 765 N ASP A 49 -5.802 -10.176 0.865 1.00 0.00 N ATOM 766 CA ASP A 49 -5.279 -11.043 -0.222 1.00 0.00 C ATOM 767 C ASP A 49 -5.802 -10.598 -1.557 1.00 0.00 C ATOM 768 O ASP A 49 -5.043 -10.481 -2.529 1.00 0.00 O ATOM 769 CB ASP A 49 -5.666 -12.511 -0.015 1.00 0.00 C ATOM 770 CG ASP A 49 -5.075 -13.428 -1.084 1.00 0.00 C ATOM 771 OD1 ASP A 49 -5.705 -13.622 -2.158 1.00 0.00 O ATOM 772 OD2 ASP A 49 -3.977 -13.988 -0.865 1.00 0.00 O ATOM 0 H ASP A 49 -6.294 -10.688 1.597 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.193 -10.954 -0.196 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.326 -12.838 0.968 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.752 -12.602 -0.023 1.00 0.00 H new ATOM 777 N GLU A 50 -7.098 -10.315 -1.594 1.00 0.00 N ATOM 778 CA GLU A 50 -7.746 -9.863 -2.806 1.00 0.00 C ATOM 779 C GLU A 50 -7.117 -8.550 -3.262 1.00 0.00 C ATOM 780 O GLU A 50 -6.898 -8.332 -4.454 1.00 0.00 O ATOM 781 CB GLU A 50 -9.240 -9.665 -2.588 1.00 0.00 C ATOM 782 CG GLU A 50 -9.991 -9.356 -3.870 1.00 0.00 C ATOM 783 CD GLU A 50 -11.417 -8.974 -3.634 1.00 0.00 C ATOM 784 OE1 GLU A 50 -12.272 -9.870 -3.490 1.00 0.00 O ATOM 785 OE2 GLU A 50 -11.726 -7.759 -3.625 1.00 0.00 O ATOM 0 H GLU A 50 -7.720 -10.393 -0.789 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.610 -10.626 -3.573 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.658 -10.565 -2.137 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.393 -8.852 -1.879 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.485 -8.545 -4.394 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.958 -10.228 -4.523 1.00 0.00 H new ATOM 792 N TYR A 51 -6.788 -7.697 -2.303 1.00 0.00 N ATOM 793 CA TYR A 51 -6.165 -6.438 -2.615 1.00 0.00 C ATOM 794 C TYR A 51 -4.739 -6.676 -3.111 1.00 0.00 C ATOM 795 O TYR A 51 -4.293 -6.016 -4.049 1.00 0.00 O ATOM 796 CB TYR A 51 -6.215 -5.472 -1.449 1.00 0.00 C ATOM 797 CG TYR A 51 -5.649 -4.131 -1.803 1.00 0.00 C ATOM 798 CD1 TYR A 51 -4.691 -3.536 -1.012 1.00 0.00 C ATOM 799 CD2 TYR A 51 -6.047 -3.474 -2.970 1.00 0.00 C ATOM 800 CE1 TYR A 51 -4.146 -2.330 -1.357 1.00 0.00 C ATOM 801 CE2 TYR A 51 -5.506 -2.268 -3.310 1.00 0.00 C ATOM 802 CZ TYR A 51 -4.560 -1.704 -2.504 1.00 0.00 C ATOM 803 OH TYR A 51 -4.006 -0.526 -2.855 1.00 0.00 O ATOM 0 H TYR A 51 -6.945 -7.861 -1.309 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.730 -5.962 -3.416 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.248 -5.354 -1.121 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.659 -5.889 -0.609 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.366 -4.028 -0.107 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.791 -3.925 -3.610 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.394 -1.874 -0.730 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.824 -1.764 -4.210 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.693 0.173 -2.850 1.00 0.00 H new ATOM 813 N TYR A 52 -4.024 -7.611 -2.499 1.00 0.00 N ATOM 814 CA TYR A 52 -2.655 -7.919 -2.890 1.00 0.00 C ATOM 815 C TYR A 52 -2.602 -8.401 -4.321 1.00 0.00 C ATOM 816 O TYR A 52 -1.775 -7.946 -5.118 1.00 0.00 O ATOM 817 CB TYR A 52 -1.987 -8.928 -1.930 1.00 0.00 C ATOM 818 CG TYR A 52 -1.667 -8.339 -0.564 1.00 0.00 C ATOM 819 CD1 TYR A 52 -2.198 -8.877 0.601 1.00 0.00 C ATOM 820 CD2 TYR A 52 -0.847 -7.222 -0.448 1.00 0.00 C ATOM 821 CE1 TYR A 52 -1.929 -8.321 1.840 1.00 0.00 C ATOM 822 CE2 TYR A 52 -0.575 -6.668 0.791 1.00 0.00 C ATOM 823 CZ TYR A 52 -1.124 -7.221 1.930 1.00 0.00 C ATOM 824 OH TYR A 52 -0.854 -6.676 3.177 1.00 0.00 O ATOM 0 H TYR A 52 -4.374 -8.173 -1.723 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.081 -6.995 -2.821 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.645 -9.787 -1.802 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.067 -9.296 -2.384 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.834 -9.748 0.539 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.417 -6.781 -1.335 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.354 -8.756 2.733 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.067 -5.803 0.866 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.193 -5.958 3.084 1.00 0.00 H new ATOM 834 N GLU A 53 -3.531 -9.281 -4.651 1.00 0.00 N ATOM 835 CA GLU A 53 -3.656 -9.818 -5.983 1.00 0.00 C ATOM 836 C GLU A 53 -4.058 -8.712 -6.959 1.00 0.00 C ATOM 837 O GLU A 53 -3.526 -8.627 -8.064 1.00 0.00 O ATOM 838 CB GLU A 53 -4.693 -10.927 -5.970 1.00 0.00 C ATOM 839 CG GLU A 53 -4.756 -11.743 -7.234 1.00 0.00 C ATOM 840 CD GLU A 53 -5.762 -12.839 -7.128 1.00 0.00 C ATOM 841 OE1 GLU A 53 -6.805 -12.754 -7.776 1.00 0.00 O ATOM 842 OE2 GLU A 53 -5.535 -13.808 -6.359 1.00 0.00 O ATOM 0 H GLU A 53 -4.222 -9.642 -3.993 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.699 -10.225 -6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.482 -11.593 -5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.674 -10.487 -5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.009 -11.096 -8.074 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.774 -12.168 -7.443 1.00 0.00 H new ATOM 849 N PHE A 54 -4.960 -7.840 -6.505 1.00 0.00 N ATOM 850 CA PHE A 54 -5.427 -6.711 -7.281 1.00 0.00 C ATOM 851 C PHE A 54 -4.250 -5.841 -7.703 1.00 0.00 C ATOM 852 O PHE A 54 -4.112 -5.482 -8.878 1.00 0.00 O ATOM 853 CB PHE A 54 -6.445 -5.898 -6.458 1.00 0.00 C ATOM 854 CG PHE A 54 -6.731 -4.539 -7.004 1.00 0.00 C ATOM 855 CD1 PHE A 54 -6.053 -3.452 -6.500 1.00 0.00 C ATOM 856 CD2 PHE A 54 -7.640 -4.346 -8.022 1.00 0.00 C ATOM 857 CE1 PHE A 54 -6.263 -2.200 -6.989 1.00 0.00 C ATOM 858 CE2 PHE A 54 -7.864 -3.078 -8.519 1.00 0.00 C ATOM 859 CZ PHE A 54 -7.163 -2.005 -7.994 1.00 0.00 C ATOM 0 H PHE A 54 -5.385 -7.906 -5.580 1.00 0.00 H new ATOM 0 HA PHE A 54 -5.921 -7.073 -8.183 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.379 -6.458 -6.401 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.072 -5.796 -5.439 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -5.341 -3.596 -5.701 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.178 -5.188 -8.431 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.717 -1.362 -6.582 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.581 -2.924 -9.312 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.330 -1.011 -8.382 1.00 0.00 H new ATOM 869 N LEU A 55 -3.417 -5.511 -6.737 1.00 0.00 N ATOM 870 CA LEU A 55 -2.224 -4.718 -6.959 1.00 0.00 C ATOM 871 C LEU A 55 -1.305 -5.369 -7.979 1.00 0.00 C ATOM 872 O LEU A 55 -0.798 -4.705 -8.906 1.00 0.00 O ATOM 873 CB LEU A 55 -1.497 -4.502 -5.652 1.00 0.00 C ATOM 874 CG LEU A 55 -2.189 -3.598 -4.662 1.00 0.00 C ATOM 875 CD1 LEU A 55 -1.459 -3.641 -3.344 1.00 0.00 C ATOM 876 CD2 LEU A 55 -2.239 -2.172 -5.202 1.00 0.00 C ATOM 0 H LEU A 55 -3.550 -5.789 -5.765 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.529 -3.752 -7.361 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.338 -5.472 -5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.513 -4.087 -5.869 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.212 -3.943 -4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.960 -2.988 -2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.457 -4.662 -2.962 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.432 -3.304 -3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.740 -1.527 -4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.224 -1.810 -5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.788 -2.159 -6.143 1.00 0.00 H new ATOM 888 N GLY A 56 -1.118 -6.673 -7.794 1.00 0.00 N ATOM 889 CA GLY A 56 -0.301 -7.458 -8.699 1.00 0.00 C ATOM 890 C GLY A 56 -0.800 -7.352 -10.117 1.00 0.00 C ATOM 891 O GLY A 56 -0.009 -7.158 -11.042 1.00 0.00 O ATOM 0 H GLY A 56 -1.524 -7.204 -7.023 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.733 -7.116 -8.648 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.308 -8.502 -8.386 1.00 0.00 H new ATOM 895 N GLU A 57 -2.104 -7.411 -10.272 1.00 0.00 N ATOM 896 CA GLU A 57 -2.744 -7.315 -11.546 1.00 0.00 C ATOM 897 C GLU A 57 -2.553 -5.958 -12.208 1.00 0.00 C ATOM 898 O GLU A 57 -2.442 -5.866 -13.436 1.00 0.00 O ATOM 899 CB GLU A 57 -4.216 -7.633 -11.396 1.00 0.00 C ATOM 900 CG GLU A 57 -4.475 -9.081 -11.060 1.00 0.00 C ATOM 901 CD GLU A 57 -3.935 -9.986 -12.122 1.00 0.00 C ATOM 902 OE1 GLU A 57 -4.633 -10.202 -13.128 1.00 0.00 O ATOM 903 OE2 GLU A 57 -2.792 -10.477 -11.991 1.00 0.00 O ATOM 0 H GLU A 57 -2.754 -7.530 -9.495 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.271 -8.043 -12.205 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.640 -7.003 -10.614 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.732 -7.383 -12.323 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.014 -9.323 -10.103 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.547 -9.245 -10.948 1.00 0.00 H new ATOM 910 N GLN A 58 -2.509 -4.904 -11.402 1.00 0.00 N ATOM 911 CA GLN A 58 -2.372 -3.557 -11.916 1.00 0.00 C ATOM 912 C GLN A 58 -0.915 -3.267 -12.267 1.00 0.00 C ATOM 913 O GLN A 58 -0.632 -2.556 -13.230 1.00 0.00 O ATOM 914 CB GLN A 58 -2.913 -2.545 -10.901 1.00 0.00 C ATOM 915 CG GLN A 58 -4.359 -2.809 -10.497 1.00 0.00 C ATOM 916 CD GLN A 58 -5.309 -2.882 -11.682 1.00 0.00 C ATOM 917 OE1 GLN A 58 -5.113 -2.217 -12.704 1.00 0.00 O ATOM 918 NE2 GLN A 58 -6.309 -3.708 -11.571 1.00 0.00 N ATOM 0 H GLN A 58 -2.567 -4.963 -10.385 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.960 -3.465 -12.829 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.285 -2.564 -10.010 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.838 -1.543 -11.323 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.409 -3.746 -9.942 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.691 -2.020 -9.822 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.438 -4.240 -10.710 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.964 -3.823 -12.345 1.00 0.00 H new ATOM 927 N GLY A 59 -0.014 -3.743 -11.458 1.00 0.00 N ATOM 928 CA GLY A 59 1.397 -3.654 -11.792 1.00 0.00 C ATOM 929 C GLY A 59 2.236 -3.293 -10.607 1.00 0.00 C ATOM 930 O GLY A 59 3.170 -2.496 -10.713 1.00 0.00 O ATOM 0 H GLY A 59 -0.218 -4.195 -10.567 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.734 -4.608 -12.196 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.537 -2.909 -12.575 1.00 0.00 H new ATOM 934 N VAL A 60 1.909 -3.863 -9.478 1.00 0.00 N ATOM 935 CA VAL A 60 2.589 -3.563 -8.244 1.00 0.00 C ATOM 936 C VAL A 60 3.074 -4.848 -7.612 1.00 0.00 C ATOM 937 O VAL A 60 2.303 -5.799 -7.448 1.00 0.00 O ATOM 938 CB VAL A 60 1.630 -2.872 -7.248 1.00 0.00 C ATOM 939 CG1 VAL A 60 2.354 -2.452 -5.986 1.00 0.00 C ATOM 940 CG2 VAL A 60 0.906 -1.697 -7.885 1.00 0.00 C ATOM 0 H VAL A 60 1.161 -4.551 -9.387 1.00 0.00 H new ATOM 0 HA VAL A 60 3.425 -2.901 -8.467 1.00 0.00 H new ATOM 0 HB VAL A 60 0.874 -3.605 -6.968 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.651 -1.969 -5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.781 -3.330 -5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.152 -1.754 -6.239 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.242 -1.238 -7.152 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.635 -0.961 -8.224 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.321 -2.048 -8.736 1.00 0.00 H new ATOM 950 N GLU A 61 4.333 -4.893 -7.295 1.00 0.00 N ATOM 951 CA GLU A 61 4.888 -6.013 -6.594 1.00 0.00 C ATOM 952 C GLU A 61 4.800 -5.774 -5.111 1.00 0.00 C ATOM 953 O GLU A 61 4.548 -4.648 -4.673 1.00 0.00 O ATOM 954 CB GLU A 61 6.303 -6.266 -7.030 1.00 0.00 C ATOM 955 CG GLU A 61 6.384 -6.704 -8.460 1.00 0.00 C ATOM 956 CD GLU A 61 7.790 -6.968 -8.891 1.00 0.00 C ATOM 957 OE1 GLU A 61 8.467 -6.031 -9.356 1.00 0.00 O ATOM 958 OE2 GLU A 61 8.261 -8.121 -8.759 1.00 0.00 O ATOM 0 H GLU A 61 5.004 -4.156 -7.514 1.00 0.00 H new ATOM 0 HA GLU A 61 4.313 -6.908 -6.833 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.891 -5.358 -6.896 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.747 -7.030 -6.392 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.789 -7.607 -8.596 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.948 -5.936 -9.099 1.00 0.00 H new ATOM 965 N LEU A 62 4.999 -6.791 -4.344 1.00 0.00 N ATOM 966 CA LEU A 62 4.831 -6.691 -2.929 1.00 0.00 C ATOM 967 C LEU A 62 6.073 -7.130 -2.182 1.00 0.00 C ATOM 968 O LEU A 62 6.491 -8.275 -2.269 1.00 0.00 O ATOM 969 CB LEU A 62 3.631 -7.528 -2.524 1.00 0.00 C ATOM 970 CG LEU A 62 2.286 -7.067 -3.087 1.00 0.00 C ATOM 971 CD1 LEU A 62 1.256 -8.133 -2.927 1.00 0.00 C ATOM 972 CD2 LEU A 62 1.853 -5.769 -2.425 1.00 0.00 C ATOM 0 H LEU A 62 5.282 -7.713 -4.675 1.00 0.00 H new ATOM 0 HA LEU A 62 4.662 -5.647 -2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.804 -8.557 -2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.566 -7.536 -1.436 1.00 0.00 H new ATOM 0 HG LEU A 62 2.399 -6.877 -4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.306 -7.785 -3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.573 -9.029 -3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.134 -8.365 -1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.894 -5.453 -2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.754 -5.924 -1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.600 -4.998 -2.613 1.00 0.00 H new ATOM 984 N ILE A 63 6.668 -6.207 -1.489 1.00 0.00 N ATOM 985 CA ILE A 63 7.810 -6.480 -0.650 1.00 0.00 C ATOM 986 C ILE A 63 7.353 -6.558 0.789 1.00 0.00 C ATOM 987 O ILE A 63 6.178 -6.315 1.075 1.00 0.00 O ATOM 988 CB ILE A 63 8.928 -5.424 -0.803 1.00 0.00 C ATOM 989 CG1 ILE A 63 8.383 -4.007 -0.620 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.605 -5.576 -2.134 1.00 0.00 C ATOM 991 CD1 ILE A 63 9.416 -2.911 -0.779 1.00 0.00 C ATOM 0 H ILE A 63 6.376 -5.230 -1.486 1.00 0.00 H new ATOM 0 HA ILE A 63 8.239 -7.431 -0.965 1.00 0.00 H new ATOM 0 HB ILE A 63 9.666 -5.591 -0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.584 -3.843 -1.342 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.938 -3.928 0.372 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.391 -4.827 -2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.042 -6.572 -2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.874 -5.440 -2.931 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.942 -1.940 -0.633 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.205 -3.045 -0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.845 -2.958 -1.780 1.00 0.00 H new ATOM 1003 N SER A 64 8.247 -6.868 1.687 1.00 0.00 N ATOM 1004 CA SER A 64 7.875 -7.062 3.049 1.00 0.00 C ATOM 1005 C SER A 64 7.695 -5.714 3.765 1.00 0.00 C ATOM 1006 O SER A 64 6.558 -5.233 3.928 1.00 0.00 O ATOM 1007 CB SER A 64 8.888 -7.985 3.755 1.00 0.00 C ATOM 1008 OG SER A 64 8.406 -8.506 4.980 1.00 0.00 O ATOM 0 H SER A 64 9.241 -6.991 1.493 1.00 0.00 H new ATOM 0 HA SER A 64 6.908 -7.563 3.087 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.142 -8.811 3.091 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.808 -7.430 3.940 1.00 0.00 H new ATOM 0 HG SER A 64 9.089 -9.084 5.381 1.00 0.00 H new ATOM 1014 N GLU A 65 8.827 -5.096 4.067 1.00 0.00 N ATOM 1015 CA GLU A 65 8.970 -3.819 4.809 1.00 0.00 C ATOM 1016 C GLU A 65 10.416 -3.723 5.276 1.00 0.00 C ATOM 1017 O GLU A 65 10.955 -2.650 5.508 1.00 0.00 O ATOM 1018 CB GLU A 65 7.984 -3.750 6.002 1.00 0.00 C ATOM 1019 CG GLU A 65 7.816 -2.382 6.698 1.00 0.00 C ATOM 1020 CD GLU A 65 8.767 -2.118 7.854 1.00 0.00 C ATOM 1021 OE1 GLU A 65 8.483 -2.569 8.983 1.00 0.00 O ATOM 1022 OE2 GLU A 65 9.794 -1.419 7.673 1.00 0.00 O ATOM 0 H GLU A 65 9.731 -5.481 3.792 1.00 0.00 H new ATOM 0 HA GLU A 65 8.727 -2.975 4.163 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.004 -4.073 5.650 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.308 -4.473 6.751 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.948 -1.596 5.954 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.793 -2.304 7.066 1.00 0.00 H new ATOM 1029 N ASN A 66 11.069 -4.861 5.300 1.00 0.00 N ATOM 1030 CA ASN A 66 12.440 -4.968 5.748 1.00 0.00 C ATOM 1031 C ASN A 66 13.376 -4.619 4.612 1.00 0.00 C ATOM 1032 O ASN A 66 14.587 -4.449 4.779 1.00 0.00 O ATOM 1033 CB ASN A 66 12.713 -6.386 6.239 1.00 0.00 C ATOM 1034 CG ASN A 66 11.881 -6.786 7.443 1.00 0.00 C ATOM 1035 OD1 ASN A 66 12.259 -6.536 8.588 1.00 0.00 O ATOM 1036 ND2 ASN A 66 10.781 -7.459 7.208 1.00 0.00 N ATOM 0 H ASN A 66 10.660 -5.748 5.006 1.00 0.00 H new ATOM 0 HA ASN A 66 12.607 -4.272 6.570 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.519 -7.086 5.426 1.00 0.00 H new ATOM 0 HB3 ASN A 66 13.769 -6.476 6.492 1.00 0.00 H new ATOM 0 HD21 ASN A 66 10.211 -7.792 7.986 1.00 0.00 H new ATOM 0 HD22 ASN A 66 10.495 -7.650 6.248 1.00 0.00 H new ATOM 1043 N GLU A 67 12.795 -4.544 3.471 1.00 0.00 N ATOM 1044 CA GLU A 67 13.428 -4.226 2.252 1.00 0.00 C ATOM 1045 C GLU A 67 12.633 -3.117 1.595 1.00 0.00 C ATOM 1046 O GLU A 67 11.469 -2.866 1.977 1.00 0.00 O ATOM 1047 CB GLU A 67 13.430 -5.451 1.314 1.00 0.00 C ATOM 1048 CG GLU A 67 12.042 -5.919 0.902 1.00 0.00 C ATOM 1049 CD GLU A 67 11.436 -6.767 1.920 1.00 0.00 C ATOM 1050 OE1 GLU A 67 11.512 -7.998 1.808 1.00 0.00 O ATOM 1051 OE2 GLU A 67 10.864 -6.224 2.846 1.00 0.00 O ATOM 0 H GLU A 67 11.796 -4.716 3.361 1.00 0.00 H new ATOM 0 HA GLU A 67 14.458 -3.922 2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.001 -5.208 0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.947 -6.273 1.808 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.404 -5.053 0.722 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.107 -6.468 -0.038 1.00 0.00 H new ATOM 1058 N GLU A 68 13.261 -2.481 0.641 1.00 0.00 N ATOM 1059 CA GLU A 68 12.728 -1.435 -0.203 1.00 0.00 C ATOM 1060 C GLU A 68 13.982 -0.820 -0.797 1.00 0.00 C ATOM 1061 O GLU A 68 15.040 -1.433 -0.723 1.00 0.00 O ATOM 1062 CB GLU A 68 11.970 -0.341 0.594 1.00 0.00 C ATOM 1063 CG GLU A 68 11.016 0.512 -0.247 1.00 0.00 C ATOM 1064 CD GLU A 68 10.754 1.845 0.381 1.00 0.00 C ATOM 1065 OE1 GLU A 68 11.597 2.746 0.225 1.00 0.00 O ATOM 1066 OE2 GLU A 68 9.724 2.023 1.034 1.00 0.00 O ATOM 0 H GLU A 68 14.232 -2.695 0.414 1.00 0.00 H new ATOM 0 HA GLU A 68 12.009 -1.829 -0.922 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.402 -0.819 1.392 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.699 0.315 1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.440 0.657 -1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.073 -0.019 -0.376 1.00 0.00 H new ATOM 1073 N THR A 69 13.891 0.358 -1.321 1.00 0.00 N ATOM 1074 CA THR A 69 15.019 1.087 -1.832 1.00 0.00 C ATOM 1075 C THR A 69 15.475 2.105 -0.776 1.00 0.00 C ATOM 1076 O THR A 69 16.204 3.052 -1.056 1.00 0.00 O ATOM 1077 CB THR A 69 14.591 1.793 -3.120 1.00 0.00 C ATOM 1078 OG1 THR A 69 13.346 2.489 -2.883 1.00 0.00 O ATOM 1079 CG2 THR A 69 14.392 0.779 -4.227 1.00 0.00 C ATOM 0 H THR A 69 13.007 0.859 -1.411 1.00 0.00 H new ATOM 0 HA THR A 69 15.852 0.418 -2.050 1.00 0.00 H new ATOM 0 HB THR A 69 15.366 2.499 -3.419 1.00 0.00 H new ATOM 0 HG1 THR A 69 13.065 2.946 -3.703 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.087 1.292 -5.139 1.00 0.00 H new ATOM 0 HG22 THR A 69 15.326 0.246 -4.405 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.619 0.068 -3.935 1.00 0.00 H new ATOM 1087 N GLU A 70 15.084 1.830 0.458 1.00 0.00 N ATOM 1088 CA GLU A 70 15.314 2.693 1.606 1.00 0.00 C ATOM 1089 C GLU A 70 16.785 2.926 1.957 1.00 0.00 C ATOM 1090 O GLU A 70 17.118 3.873 2.658 1.00 0.00 O ATOM 1091 CB GLU A 70 14.487 2.221 2.825 1.00 0.00 C ATOM 1092 CG GLU A 70 14.552 0.709 3.142 1.00 0.00 C ATOM 1093 CD GLU A 70 15.933 0.196 3.458 1.00 0.00 C ATOM 1094 OE1 GLU A 70 16.447 0.486 4.556 1.00 0.00 O ATOM 1095 OE2 GLU A 70 16.526 -0.515 2.615 1.00 0.00 O ATOM 0 H GLU A 70 14.583 0.974 0.696 1.00 0.00 H new ATOM 0 HA GLU A 70 14.959 3.679 1.305 1.00 0.00 H new ATOM 0 HB2 GLU A 70 14.824 2.771 3.703 1.00 0.00 H new ATOM 0 HB3 GLU A 70 13.445 2.493 2.659 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.898 0.500 3.988 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.158 0.155 2.290 1.00 0.00 H new ATOM 1102 N ASP A 71 17.656 2.092 1.464 1.00 0.00 N ATOM 1103 CA ASP A 71 19.075 2.228 1.784 1.00 0.00 C ATOM 1104 C ASP A 71 19.730 3.151 0.789 1.00 0.00 C ATOM 1105 O ASP A 71 20.823 3.680 0.997 1.00 0.00 O ATOM 1106 CB ASP A 71 19.741 0.863 1.813 1.00 0.00 C ATOM 1107 CG ASP A 71 21.139 0.878 2.387 1.00 0.00 C ATOM 1108 OD1 ASP A 71 21.279 0.864 3.628 1.00 0.00 O ATOM 1109 OD2 ASP A 71 22.121 0.844 1.618 1.00 0.00 O ATOM 0 H ASP A 71 17.427 1.315 0.845 1.00 0.00 H new ATOM 0 HA ASP A 71 19.188 2.665 2.776 1.00 0.00 H new ATOM 0 HB2 ASP A 71 19.125 0.181 2.399 1.00 0.00 H new ATOM 0 HB3 ASP A 71 19.779 0.466 0.799 1.00 0.00 H new ATOM 1114 N LEU A 72 19.013 3.385 -0.262 1.00 0.00 N ATOM 1115 CA LEU A 72 19.443 4.265 -1.319 1.00 0.00 C ATOM 1116 C LEU A 72 18.893 5.655 -1.061 1.00 0.00 C ATOM 1117 O LEU A 72 19.332 6.630 -1.667 1.00 0.00 O ATOM 1118 CB LEU A 72 18.958 3.768 -2.689 1.00 0.00 C ATOM 1119 CG LEU A 72 19.412 2.373 -3.127 1.00 0.00 C ATOM 1120 CD1 LEU A 72 18.862 2.054 -4.507 1.00 0.00 C ATOM 1121 CD2 LEU A 72 20.927 2.266 -3.122 1.00 0.00 C ATOM 0 H LEU A 72 18.096 2.967 -0.420 1.00 0.00 H new ATOM 0 HA LEU A 72 20.533 4.285 -1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 72 17.868 3.784 -2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.286 4.483 -3.444 1.00 0.00 H new ATOM 0 HG LEU A 72 19.022 1.647 -2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 72 19.191 1.060 -4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.773 2.083 -4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 72 19.227 2.790 -5.223 1.00 0.00 H new ATOM 0 HD21 LEU A 72 21.222 1.265 -3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 72 21.346 3.001 -3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 72 21.302 2.455 -2.116 1.00 0.00 H new ATOM 1133 N GLU A 73 17.927 5.737 -0.169 1.00 0.00 N ATOM 1134 CA GLU A 73 17.307 6.992 0.180 1.00 0.00 C ATOM 1135 C GLU A 73 18.224 7.793 1.092 1.00 0.00 C ATOM 1136 O GLU A 73 18.616 7.325 2.166 1.00 0.00 O ATOM 1137 CB GLU A 73 15.950 6.759 0.853 1.00 0.00 C ATOM 1138 CG GLU A 73 14.882 6.159 -0.057 1.00 0.00 C ATOM 1139 CD GLU A 73 14.514 7.070 -1.209 1.00 0.00 C ATOM 1140 OE1 GLU A 73 14.636 6.672 -2.376 1.00 0.00 O ATOM 1141 OE2 GLU A 73 14.091 8.212 -0.963 1.00 0.00 O ATOM 0 H GLU A 73 17.552 4.932 0.333 1.00 0.00 H new ATOM 0 HA GLU A 73 17.138 7.561 -0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 73 16.092 6.098 1.708 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.585 7.709 1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 73 15.240 5.208 -0.452 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.989 5.945 0.530 1.00 0.00 H new ATOM 1148 N HIS A 74 18.573 8.972 0.652 1.00 0.00 N ATOM 1149 CA HIS A 74 19.445 9.862 1.388 1.00 0.00 C ATOM 1150 C HIS A 74 18.845 11.247 1.360 1.00 0.00 C ATOM 1151 O HIS A 74 19.067 12.015 0.416 1.00 0.00 O ATOM 1152 CB HIS A 74 20.872 9.889 0.791 1.00 0.00 C ATOM 1153 CG HIS A 74 21.622 8.582 0.855 1.00 0.00 C ATOM 1154 ND1 HIS A 74 21.585 7.619 -0.134 1.00 0.00 N ATOM 1155 CD2 HIS A 74 22.450 8.101 1.806 1.00 0.00 C ATOM 1156 CE1 HIS A 74 22.371 6.609 0.237 1.00 0.00 C ATOM 1157 NE2 HIS A 74 22.925 6.847 1.412 1.00 0.00 N ATOM 0 H HIS A 74 18.257 9.351 -0.241 1.00 0.00 H new ATOM 0 HA HIS A 74 19.532 9.503 2.413 1.00 0.00 H new ATOM 0 HB2 HIS A 74 20.806 10.201 -0.251 1.00 0.00 H new ATOM 0 HB3 HIS A 74 21.453 10.648 1.315 1.00 0.00 H new ATOM 0 HD1 HIS A 74 21.048 7.672 -1.000 1.00 0.00 H new ATOM 0 HD2 HIS A 74 22.705 8.605 2.726 1.00 0.00 H new ATOM 0 HE1 HIS A 74 22.533 5.714 -0.346 1.00 0.00 H new ATOM 1165 N HIS A 75 18.032 11.534 2.351 1.00 0.00 N ATOM 1166 CA HIS A 75 17.326 12.795 2.462 1.00 0.00 C ATOM 1167 C HIS A 75 16.694 12.837 3.849 1.00 0.00 C ATOM 1168 O HIS A 75 16.447 11.768 4.429 1.00 0.00 O ATOM 1169 CB HIS A 75 16.250 12.878 1.349 1.00 0.00 C ATOM 1170 CG HIS A 75 15.476 14.163 1.270 1.00 0.00 C ATOM 1171 ND1 HIS A 75 14.101 14.232 1.310 1.00 0.00 N ATOM 1172 CD2 HIS A 75 15.908 15.433 1.089 1.00 0.00 C ATOM 1173 CE1 HIS A 75 13.744 15.506 1.153 1.00 0.00 C ATOM 1174 NE2 HIS A 75 14.808 16.282 1.014 1.00 0.00 N ATOM 0 H HIS A 75 17.838 10.889 3.117 1.00 0.00 H new ATOM 0 HA HIS A 75 17.996 13.646 2.338 1.00 0.00 H new ATOM 0 HB2 HIS A 75 16.737 12.712 0.388 1.00 0.00 H new ATOM 0 HB3 HIS A 75 15.543 12.061 1.494 1.00 0.00 H new ATOM 0 HD2 HIS A 75 16.941 15.739 1.015 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.723 15.859 1.141 1.00 0.00 H new ATOM 0 HE2 HIS A 75 14.819 17.293 0.880 1.00 0.00 H new ATOM 1182 N HIS A 76 16.453 14.045 4.363 1.00 0.00 N ATOM 1183 CA HIS A 76 15.899 14.280 5.708 1.00 0.00 C ATOM 1184 C HIS A 76 16.880 13.815 6.760 1.00 0.00 C ATOM 1185 O HIS A 76 16.600 12.838 7.485 1.00 0.00 O ATOM 1186 CB HIS A 76 14.512 13.620 5.932 1.00 0.00 C ATOM 1187 CG HIS A 76 13.399 14.167 5.096 1.00 0.00 C ATOM 1188 ND1 HIS A 76 12.439 13.384 4.491 1.00 0.00 N ATOM 1189 CD2 HIS A 76 13.067 15.447 4.816 1.00 0.00 C ATOM 1190 CE1 HIS A 76 11.572 14.190 3.875 1.00 0.00 C ATOM 1191 NE2 HIS A 76 11.909 15.462 4.041 1.00 0.00 N ATOM 1192 OXT HIS A 76 17.988 14.383 6.821 1.00 0.00 O ATOM 0 H HIS A 76 16.639 14.907 3.850 1.00 0.00 H new ATOM 0 HA HIS A 76 15.741 15.355 5.795 1.00 0.00 H new ATOM 0 HB2 HIS A 76 14.601 12.552 5.735 1.00 0.00 H new ATOM 0 HB3 HIS A 76 14.242 13.729 6.982 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.613 16.320 5.141 1.00 0.00 H new ATOM 0 HE1 HIS A 76 10.712 13.852 3.316 1.00 0.00 H new ATOM 0 HE2 HIS A 76 11.422 16.281 3.677 1.00 0.00 H new TER 1200 HIS A 76