USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 406 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 43 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 45 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 16 ASN : amide:sc= 1.53 K(o=1.9,f=-2.3!) USER MOD Set 2.2: A 22 SER OG : rot 163:sc= 0.364 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.145 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0168 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00313 USER MOD Single : A 7 GLN : amide:sc= -0.0482 X(o=-0.048,f=-0.28) USER MOD Single : A 9 LYS NZ :NH3+ 166:sc= 0.362 (180deg=0.298) USER MOD Single : A 14 TYR OH : rot -14:sc= 1.34 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0575 USER MOD Single : A 44 ASN : amide:sc= -0.0152 K(o=-0.015,f=-1.7!) USER MOD Single : A 47 LYS NZ :NH3+ 161:sc= 2.39 (180deg=1.77) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.329 USER MOD Single : A 52 ASN : amide:sc= -0.0553 K(o=-0.055,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.278 -7.852 -3.112 1.00 25.00 N ATOM 2 CA GLY A 1 0.550 -6.813 -3.897 1.00 25.00 C ATOM 3 C GLY A 1 1.448 -5.652 -4.238 1.00 25.00 C ATOM 4 O GLY A 1 2.594 -5.652 -3.821 1.00 25.00 O ATOM 0 H1 GLY A 1 1.251 -8.756 -3.625 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.267 -7.558 -2.980 1.00 25.00 H new ATOM 0 H3 GLY A 1 0.824 -7.967 -2.183 1.00 25.00 H new ATOM 0 HA2 GLY A 1 0.160 -7.255 -4.814 1.00 25.00 H new ATOM 0 HA3 GLY A 1 -0.307 -6.457 -3.325 1.00 25.00 H new ATOM 10 N SER A 2 0.950 -4.675 -4.988 1.00 25.00 N ATOM 11 CA SER A 2 1.745 -3.508 -5.389 1.00 25.00 C ATOM 12 C SER A 2 0.781 -2.340 -5.552 1.00 25.00 C ATOM 13 O SER A 2 -0.371 -2.556 -5.936 1.00 25.00 O ATOM 14 CB SER A 2 2.448 -3.791 -6.724 1.00 25.00 C ATOM 15 OG SER A 2 3.175 -2.661 -7.181 1.00 25.00 O ATOM 0 H SER A 2 -0.009 -4.664 -5.336 1.00 25.00 H new ATOM 0 HA SER A 2 2.506 -3.282 -4.642 1.00 25.00 H new ATOM 0 HB2 SER A 2 3.125 -4.637 -6.607 1.00 25.00 H new ATOM 0 HB3 SER A 2 1.708 -4.076 -7.472 1.00 25.00 H new ATOM 0 HG SER A 2 3.612 -2.875 -8.032 1.00 25.00 H new ATOM 21 N PRO A 3 1.215 -1.099 -5.255 1.00 25.00 N ATOM 22 CA PRO A 3 0.254 -0.011 -5.476 1.00 25.00 C ATOM 23 C PRO A 3 -0.005 0.241 -6.962 1.00 25.00 C ATOM 24 O PRO A 3 0.887 0.087 -7.799 1.00 25.00 O ATOM 25 CB PRO A 3 0.938 1.190 -4.819 1.00 25.00 C ATOM 26 CG PRO A 3 2.391 0.900 -4.955 1.00 25.00 C ATOM 27 CD PRO A 3 2.501 -0.588 -4.736 1.00 25.00 C ATOM 0 HA PRO A 3 -0.730 -0.231 -5.062 1.00 25.00 H new ATOM 0 HB2 PRO A 3 0.670 2.122 -5.316 1.00 25.00 H new ATOM 0 HB3 PRO A 3 0.648 1.291 -3.773 1.00 25.00 H new ATOM 0 HG2 PRO A 3 2.762 1.185 -5.939 1.00 25.00 H new ATOM 0 HG3 PRO A 3 2.977 1.454 -4.221 1.00 25.00 H new ATOM 0 HD2 PRO A 3 3.350 -1.013 -5.272 1.00 25.00 H new ATOM 0 HD3 PRO A 3 2.636 -0.832 -3.682 1.00 25.00 H new ATOM 35 N THR A 4 -1.230 0.632 -7.278 1.00 25.00 N ATOM 36 CA THR A 4 -1.647 0.878 -8.659 1.00 25.00 C ATOM 37 C THR A 4 -1.774 2.370 -8.927 1.00 25.00 C ATOM 38 O THR A 4 -2.216 2.781 -9.985 1.00 25.00 O ATOM 39 CB THR A 4 -3.018 0.225 -8.911 1.00 25.00 C ATOM 40 OG1 THR A 4 -3.931 0.664 -7.898 1.00 25.00 O ATOM 41 CG2 THR A 4 -2.920 -1.297 -8.831 1.00 25.00 C ATOM 0 H THR A 4 -1.966 0.789 -6.589 1.00 25.00 H new ATOM 0 HA THR A 4 -0.892 0.453 -9.320 1.00 25.00 H new ATOM 0 HB THR A 4 -3.360 0.511 -9.905 1.00 25.00 H new ATOM 0 HG1 THR A 4 -4.809 0.255 -8.049 1.00 25.00 H new ATOM 0 HG21 THR A 4 -3.902 -1.735 -9.013 1.00 25.00 H new ATOM 0 HG22 THR A 4 -2.218 -1.656 -9.583 1.00 25.00 H new ATOM 0 HG23 THR A 4 -2.571 -1.588 -7.840 1.00 25.00 H new ATOM 49 N PHE A 5 -1.374 3.183 -7.961 1.00 25.00 N ATOM 50 CA PHE A 5 -1.549 4.641 -8.033 1.00 25.00 C ATOM 51 C PHE A 5 -0.998 5.317 -9.295 1.00 25.00 C ATOM 52 O PHE A 5 -1.577 6.288 -9.761 1.00 25.00 O ATOM 53 CB PHE A 5 -0.889 5.270 -6.805 1.00 25.00 C ATOM 54 CG PHE A 5 -1.062 6.766 -6.720 1.00 25.00 C ATOM 55 CD1 PHE A 5 -0.058 7.625 -7.202 1.00 25.00 C ATOM 56 CD2 PHE A 5 -2.217 7.328 -6.147 1.00 25.00 C ATOM 57 CE1 PHE A 5 -0.187 9.033 -7.100 1.00 25.00 C ATOM 58 CE2 PHE A 5 -2.363 8.736 -6.051 1.00 25.00 C ATOM 59 CZ PHE A 5 -1.337 9.581 -6.521 1.00 25.00 C ATOM 0 H PHE A 5 -0.920 2.861 -7.106 1.00 25.00 H new ATOM 0 HA PHE A 5 -2.626 4.806 -8.068 1.00 25.00 H new ATOM 0 HB2 PHE A 5 -1.305 4.814 -5.907 1.00 25.00 H new ATOM 0 HB3 PHE A 5 0.176 5.037 -6.817 1.00 25.00 H new ATOM 0 HD1 PHE A 5 0.826 7.205 -7.658 1.00 25.00 H new ATOM 0 HD2 PHE A 5 -3.000 6.682 -5.777 1.00 25.00 H new ATOM 0 HE1 PHE A 5 0.597 9.679 -7.467 1.00 25.00 H new ATOM 0 HE2 PHE A 5 -3.258 9.159 -5.619 1.00 25.00 H new ATOM 0 HZ PHE A 5 -1.439 10.653 -6.434 1.00 25.00 H new ATOM 69 N CYS A 6 0.121 4.836 -9.822 1.00 25.00 N ATOM 70 CA CYS A 6 0.745 5.446 -11.009 1.00 25.00 C ATOM 71 C CYS A 6 0.510 4.588 -12.266 1.00 25.00 C ATOM 72 O CYS A 6 0.831 4.992 -13.378 1.00 25.00 O ATOM 73 CB CYS A 6 2.252 5.625 -10.752 1.00 25.00 C ATOM 74 SG CYS A 6 3.147 6.518 -12.063 1.00 25.00 S ATOM 0 H CYS A 6 0.621 4.027 -9.453 1.00 25.00 H new ATOM 0 HA CYS A 6 0.287 6.419 -11.187 1.00 25.00 H new ATOM 0 HB2 CYS A 6 2.385 6.159 -9.811 1.00 25.00 H new ATOM 0 HB3 CYS A 6 2.705 4.641 -10.627 1.00 25.00 H new ATOM 79 N GLN A 7 -0.069 3.407 -12.104 1.00 25.00 N ATOM 80 CA GLN A 7 -0.332 2.542 -13.220 1.00 25.00 C ATOM 81 C GLN A 7 -1.476 3.127 -14.049 1.00 25.00 C ATOM 82 O GLN A 7 -2.523 3.475 -13.516 1.00 25.00 O ATOM 83 CB GLN A 7 -0.687 1.178 -12.697 1.00 25.00 C ATOM 84 CG GLN A 7 0.500 0.415 -12.110 1.00 25.00 C ATOM 85 CD GLN A 7 0.129 -0.988 -11.670 1.00 25.00 C ATOM 86 OE1 GLN A 7 -0.553 -1.703 -12.373 1.00 25.00 O ATOM 87 NE2 GLN A 7 0.579 -1.378 -10.511 1.00 25.00 N ATOM 0 H GLN A 7 -0.363 3.034 -11.201 1.00 25.00 H new ATOM 0 HA GLN A 7 0.547 2.457 -13.859 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -1.455 1.281 -11.931 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -1.121 0.590 -13.506 1.00 25.00 H new ATOM 0 HG2 GLN A 7 1.296 0.361 -12.853 1.00 25.00 H new ATOM 0 HG3 GLN A 7 0.897 0.967 -11.258 1.00 25.00 H new ATOM 0 HE21 GLN A 7 1.150 -0.748 -9.947 1.00 25.00 H new ATOM 0 HE22 GLN A 7 0.360 -2.313 -10.167 1.00 25.00 H new ATOM 96 N GLY A 8 -1.249 3.278 -15.345 1.00 25.00 N ATOM 97 CA GLY A 8 -2.257 3.864 -16.220 1.00 25.00 C ATOM 98 C GLY A 8 -2.243 5.387 -16.219 1.00 25.00 C ATOM 99 O GLY A 8 -3.095 6.012 -16.844 1.00 25.00 O ATOM 0 H GLY A 8 -0.384 3.006 -15.812 1.00 25.00 H new ATOM 0 HA2 GLY A 8 -2.097 3.507 -17.237 1.00 25.00 H new ATOM 0 HA3 GLY A 8 -3.243 3.516 -15.911 1.00 25.00 H new ATOM 103 N LYS A 9 -1.278 5.990 -15.536 1.00 25.00 N ATOM 104 CA LYS A 9 -1.154 7.447 -15.500 1.00 25.00 C ATOM 105 C LYS A 9 0.034 7.888 -16.324 1.00 25.00 C ATOM 106 O LYS A 9 1.052 7.210 -16.366 1.00 25.00 O ATOM 107 CB LYS A 9 -0.999 7.932 -14.079 1.00 25.00 C ATOM 108 CG LYS A 9 -2.312 7.957 -13.360 1.00 25.00 C ATOM 109 CD LYS A 9 -2.111 8.611 -12.058 1.00 25.00 C ATOM 110 CE LYS A 9 -3.336 8.475 -11.179 1.00 25.00 C ATOM 111 NZ LYS A 9 -3.019 8.861 -9.764 1.00 25.00 N ATOM 0 H LYS A 9 -0.567 5.494 -14.998 1.00 25.00 H new ATOM 0 HA LYS A 9 -2.062 7.880 -15.920 1.00 25.00 H new ATOM 0 HB2 LYS A 9 -0.304 7.283 -13.546 1.00 25.00 H new ATOM 0 HB3 LYS A 9 -0.565 8.932 -14.080 1.00 25.00 H new ATOM 0 HG2 LYS A 9 -3.056 8.497 -13.946 1.00 25.00 H new ATOM 0 HG3 LYS A 9 -2.689 6.944 -13.222 1.00 25.00 H new ATOM 0 HD2 LYS A 9 -1.250 8.170 -11.556 1.00 25.00 H new ATOM 0 HD3 LYS A 9 -1.885 9.666 -12.210 1.00 25.00 H new ATOM 0 HE2 LYS A 9 -4.137 9.107 -11.563 1.00 25.00 H new ATOM 0 HE3 LYS A 9 -3.699 7.447 -11.208 1.00 25.00 H new ATOM 0 HZ1 LYS A 9 -3.904 8.991 -9.233 1.00 25.00 H new ATOM 0 HZ2 LYS A 9 -2.454 8.110 -9.318 1.00 25.00 H new ATOM 0 HZ3 LYS A 9 -2.479 9.750 -9.759 1.00 25.00 H new ATOM 125 N ALA A 10 -0.095 9.039 -16.964 1.00 25.00 N ATOM 126 CA ALA A 10 1.002 9.601 -17.735 1.00 25.00 C ATOM 127 C ALA A 10 2.059 10.110 -16.757 1.00 25.00 C ATOM 128 O ALA A 10 1.739 10.483 -15.622 1.00 25.00 O ATOM 129 CB ALA A 10 0.495 10.745 -18.621 1.00 25.00 C ATOM 0 H ALA A 10 -0.946 9.601 -16.965 1.00 25.00 H new ATOM 0 HA ALA A 10 1.434 8.840 -18.386 1.00 25.00 H new ATOM 0 HB1 ALA A 10 1.326 11.158 -19.193 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -0.264 10.366 -19.305 1.00 25.00 H new ATOM 0 HB3 ALA A 10 0.062 11.526 -17.995 1.00 25.00 H new ATOM 135 N ASP A 11 3.299 10.150 -17.211 1.00 25.00 N ATOM 136 CA ASP A 11 4.395 10.671 -16.401 1.00 25.00 C ATOM 137 C ASP A 11 4.208 12.178 -16.185 1.00 25.00 C ATOM 138 O ASP A 11 3.462 12.835 -16.915 1.00 25.00 O ATOM 139 CB ASP A 11 5.742 10.390 -17.076 1.00 25.00 C ATOM 140 CG ASP A 11 6.218 8.952 -16.874 1.00 25.00 C ATOM 141 OD1 ASP A 11 7.258 8.605 -17.464 1.00 25.00 O ATOM 142 OD2 ASP A 11 5.603 8.179 -16.100 1.00 25.00 O ATOM 0 H ASP A 11 3.577 9.828 -18.138 1.00 25.00 H new ATOM 0 HA ASP A 11 4.388 10.170 -15.433 1.00 25.00 H new ATOM 0 HB2 ASP A 11 5.657 10.593 -18.144 1.00 25.00 H new ATOM 0 HB3 ASP A 11 6.492 11.075 -16.680 1.00 25.00 H new ATOM 147 N GLY A 12 4.869 12.713 -15.169 1.00 25.00 N ATOM 148 CA GLY A 12 4.735 14.122 -14.823 1.00 25.00 C ATOM 149 C GLY A 12 4.273 14.277 -13.389 1.00 25.00 C ATOM 150 O GLY A 12 4.123 13.284 -12.671 1.00 25.00 O ATOM 0 H GLY A 12 5.506 12.191 -14.567 1.00 25.00 H new ATOM 0 HA2 GLY A 12 5.691 14.628 -14.960 1.00 25.00 H new ATOM 0 HA3 GLY A 12 4.022 14.601 -15.494 1.00 25.00 H new ATOM 154 N LEU A 13 4.059 15.510 -12.950 1.00 25.00 N ATOM 155 CA LEU A 13 3.692 15.764 -11.557 1.00 25.00 C ATOM 156 C LEU A 13 2.189 15.907 -11.344 1.00 25.00 C ATOM 157 O LEU A 13 1.468 16.421 -12.201 1.00 25.00 O ATOM 158 CB LEU A 13 4.362 17.046 -11.061 1.00 25.00 C ATOM 159 CG LEU A 13 5.894 17.161 -11.116 1.00 25.00 C ATOM 160 CD1 LEU A 13 6.325 18.392 -10.326 1.00 25.00 C ATOM 161 CD2 LEU A 13 6.583 15.941 -10.555 1.00 25.00 C ATOM 0 H LEU A 13 4.131 16.346 -13.530 1.00 25.00 H new ATOM 0 HA LEU A 13 4.033 14.893 -10.997 1.00 25.00 H new ATOM 0 HB2 LEU A 13 3.950 17.875 -11.636 1.00 25.00 H new ATOM 0 HB3 LEU A 13 4.059 17.195 -10.025 1.00 25.00 H new ATOM 0 HG LEU A 13 6.185 17.247 -12.163 1.00 25.00 H new ATOM 0 HD11 LEU A 13 7.411 18.483 -10.358 1.00 25.00 H new ATOM 0 HD12 LEU A 13 5.873 19.282 -10.764 1.00 25.00 H new ATOM 0 HD13 LEU A 13 6.000 18.292 -9.290 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.663 16.072 -10.617 1.00 25.00 H new ATOM 0 HD22 LEU A 13 6.293 15.806 -9.513 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.291 15.062 -11.129 1.00 25.00 H new ATOM 173 N TYR A 14 1.728 15.476 -10.181 1.00 25.00 N ATOM 174 CA TYR A 14 0.323 15.567 -9.786 1.00 25.00 C ATOM 175 C TYR A 14 0.311 16.207 -8.388 1.00 25.00 C ATOM 176 O TYR A 14 1.290 16.073 -7.646 1.00 25.00 O ATOM 177 CB TYR A 14 -0.320 14.167 -9.749 1.00 25.00 C ATOM 178 CG TYR A 14 -0.405 13.484 -11.091 1.00 25.00 C ATOM 179 CD1 TYR A 14 0.693 12.784 -11.589 1.00 25.00 C ATOM 180 CD2 TYR A 14 -1.591 13.508 -11.854 1.00 25.00 C ATOM 181 CE1 TYR A 14 0.640 12.116 -12.844 1.00 25.00 C ATOM 182 CE2 TYR A 14 -1.660 12.833 -13.110 1.00 25.00 C ATOM 183 CZ TYR A 14 -0.537 12.148 -13.590 1.00 25.00 C ATOM 184 OH TYR A 14 -0.606 11.523 -14.806 1.00 25.00 O ATOM 0 H TYR A 14 2.323 15.047 -9.472 1.00 25.00 H new ATOM 0 HA TYR A 14 -0.251 16.161 -10.497 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.252 13.536 -9.069 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -1.324 14.253 -9.335 1.00 25.00 H new ATOM 0 HD1 TYR A 14 1.604 12.748 -11.009 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -2.454 14.042 -11.485 1.00 25.00 H new ATOM 0 HE1 TYR A 14 1.506 11.588 -13.216 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -2.573 12.851 -13.687 1.00 25.00 H new ATOM 0 HH TYR A 14 0.298 11.297 -15.110 1.00 25.00 H new ATOM 194 N PRO A 15 -0.772 16.927 -8.020 1.00 25.00 N ATOM 195 CA PRO A 15 -0.747 17.579 -6.700 1.00 25.00 C ATOM 196 C PRO A 15 -0.795 16.600 -5.527 1.00 25.00 C ATOM 197 O PRO A 15 -1.422 15.550 -5.604 1.00 25.00 O ATOM 198 CB PRO A 15 -1.989 18.473 -6.734 1.00 25.00 C ATOM 199 CG PRO A 15 -2.915 17.770 -7.654 1.00 25.00 C ATOM 200 CD PRO A 15 -2.025 17.227 -8.736 1.00 25.00 C ATOM 0 HA PRO A 15 0.185 18.120 -6.536 1.00 25.00 H new ATOM 0 HB2 PRO A 15 -2.424 18.588 -5.741 1.00 25.00 H new ATOM 0 HB3 PRO A 15 -1.751 19.473 -7.096 1.00 25.00 H new ATOM 0 HG2 PRO A 15 -3.452 16.971 -7.143 1.00 25.00 H new ATOM 0 HG3 PRO A 15 -3.664 18.450 -8.060 1.00 25.00 H new ATOM 0 HD2 PRO A 15 -2.449 16.335 -9.197 1.00 25.00 H new ATOM 0 HD3 PRO A 15 -1.870 17.954 -9.533 1.00 25.00 H new ATOM 208 N ASN A 16 -0.086 16.951 -4.464 1.00 25.00 N ATOM 209 CA ASN A 16 0.070 16.112 -3.273 1.00 25.00 C ATOM 210 C ASN A 16 -1.139 16.208 -2.317 1.00 25.00 C ATOM 211 O ASN A 16 -1.922 17.145 -2.399 1.00 25.00 O ATOM 212 CB ASN A 16 1.325 16.553 -2.535 1.00 25.00 C ATOM 213 CG ASN A 16 1.153 17.872 -1.872 1.00 25.00 C ATOM 214 OD1 ASN A 16 0.839 18.867 -2.500 1.00 25.00 O ATOM 215 ND2 ASN A 16 1.297 17.878 -0.597 1.00 25.00 N ATOM 0 H ASN A 16 0.408 17.841 -4.399 1.00 25.00 H new ATOM 0 HA ASN A 16 0.142 15.075 -3.600 1.00 25.00 H new ATOM 0 HB2 ASN A 16 1.587 15.804 -1.788 1.00 25.00 H new ATOM 0 HB3 ASN A 16 2.157 16.607 -3.237 1.00 25.00 H new ATOM 0 HD21 ASN A 16 1.147 18.739 -0.071 1.00 25.00 H new ATOM 0 HD22 ASN A 16 1.561 17.022 -0.110 1.00 25.00 H new ATOM 222 N PRO A 17 -1.344 15.195 -1.448 1.00 25.00 N ATOM 223 CA PRO A 17 -2.582 15.189 -0.656 1.00 25.00 C ATOM 224 C PRO A 17 -2.622 15.961 0.680 1.00 25.00 C ATOM 225 O PRO A 17 -3.714 16.221 1.183 1.00 25.00 O ATOM 226 CB PRO A 17 -2.750 13.702 -0.354 1.00 25.00 C ATOM 227 CG PRO A 17 -1.348 13.237 -0.153 1.00 25.00 C ATOM 228 CD PRO A 17 -0.547 13.976 -1.196 1.00 25.00 C ATOM 0 HA PRO A 17 -3.354 15.702 -1.229 1.00 25.00 H new ATOM 0 HB2 PRO A 17 -3.360 13.538 0.534 1.00 25.00 H new ATOM 0 HB3 PRO A 17 -3.235 13.176 -1.176 1.00 25.00 H new ATOM 0 HG2 PRO A 17 -0.995 13.465 0.853 1.00 25.00 H new ATOM 0 HG3 PRO A 17 -1.266 12.158 -0.282 1.00 25.00 H new ATOM 0 HD2 PRO A 17 0.453 14.218 -0.836 1.00 25.00 H new ATOM 0 HD3 PRO A 17 -0.425 13.383 -2.102 1.00 25.00 H new ATOM 236 N ARG A 18 -1.480 16.207 1.327 1.00 25.00 N ATOM 237 CA ARG A 18 -1.491 16.750 2.715 1.00 25.00 C ATOM 238 C ARG A 18 -0.500 17.868 2.990 1.00 25.00 C ATOM 239 O ARG A 18 -0.782 18.813 3.716 1.00 25.00 O ATOM 240 CB ARG A 18 -1.143 15.631 3.709 1.00 25.00 C ATOM 241 CG ARG A 18 -2.042 14.402 3.665 1.00 25.00 C ATOM 242 CD ARG A 18 -1.253 13.162 4.041 1.00 25.00 C ATOM 243 NE ARG A 18 -1.065 13.042 5.499 1.00 25.00 N ATOM 244 CZ ARG A 18 -0.391 12.071 6.107 1.00 25.00 C ATOM 245 NH1 ARG A 18 -0.322 12.072 7.408 1.00 25.00 N ATOM 246 NH2 ARG A 18 0.204 11.107 5.448 1.00 25.00 N ATOM 0 H ARG A 18 -0.551 16.049 0.937 1.00 25.00 H new ATOM 0 HA ARG A 18 -2.496 17.154 2.832 1.00 25.00 H new ATOM 0 HB2 ARG A 18 -0.117 15.314 3.525 1.00 25.00 H new ATOM 0 HB3 ARG A 18 -1.173 16.044 4.717 1.00 25.00 H new ATOM 0 HG2 ARG A 18 -2.880 14.531 4.350 1.00 25.00 H new ATOM 0 HG3 ARG A 18 -2.462 14.285 2.666 1.00 25.00 H new ATOM 0 HD2 ARG A 18 -1.770 12.278 3.669 1.00 25.00 H new ATOM 0 HD3 ARG A 18 -0.279 13.191 3.552 1.00 25.00 H new ATOM 0 HE ARG A 18 -1.486 13.761 6.087 1.00 25.00 H new ATOM 0 HH11 ARG A 18 -0.781 12.810 7.942 1.00 25.00 H new ATOM 0 HH12 ARG A 18 0.191 11.335 7.892 1.00 25.00 H new ATOM 0 HH21 ARG A 18 0.160 11.083 4.429 1.00 25.00 H new ATOM 0 HH22 ARG A 18 0.711 10.381 5.954 1.00 25.00 H new ATOM 260 N GLU A 19 0.708 17.661 2.513 1.00 25.00 N ATOM 261 CA GLU A 19 1.836 18.542 2.788 1.00 25.00 C ATOM 262 C GLU A 19 1.690 19.877 2.057 1.00 25.00 C ATOM 263 O GLU A 19 0.882 20.012 1.157 1.00 25.00 O ATOM 264 CB GLU A 19 3.138 17.861 2.361 1.00 25.00 C ATOM 265 CG GLU A 19 3.249 16.359 2.730 1.00 25.00 C ATOM 266 CD GLU A 19 2.796 15.419 1.596 1.00 25.00 C ATOM 267 OE1 GLU A 19 1.595 15.441 1.211 1.00 25.00 O ATOM 268 OE2 GLU A 19 3.649 14.690 1.067 1.00 25.00 O ATOM 0 H GLU A 19 0.944 16.868 1.916 1.00 25.00 H new ATOM 0 HA GLU A 19 1.857 18.742 3.859 1.00 25.00 H new ATOM 0 HB2 GLU A 19 3.245 17.962 1.281 1.00 25.00 H new ATOM 0 HB3 GLU A 19 3.974 18.393 2.815 1.00 25.00 H new ATOM 0 HG2 GLU A 19 4.283 16.131 2.991 1.00 25.00 H new ATOM 0 HG3 GLU A 19 2.646 16.164 3.617 1.00 25.00 H new ATOM 275 N ARG A 20 2.490 20.870 2.428 1.00 25.00 N ATOM 276 CA ARG A 20 2.393 22.178 1.773 1.00 25.00 C ATOM 277 C ARG A 20 3.045 22.223 0.392 1.00 25.00 C ATOM 278 O ARG A 20 2.559 22.909 -0.501 1.00 25.00 O ATOM 279 CB ARG A 20 3.036 23.256 2.666 1.00 25.00 C ATOM 280 CG ARG A 20 2.840 24.704 2.159 1.00 25.00 C ATOM 281 CD ARG A 20 1.357 25.035 2.045 1.00 25.00 C ATOM 282 NE ARG A 20 1.113 26.469 1.792 1.00 25.00 N ATOM 283 CZ ARG A 20 0.547 26.975 0.699 1.00 25.00 C ATOM 284 NH1 ARG A 20 0.151 26.231 -0.302 1.00 25.00 N ATOM 285 NH2 ARG A 20 0.371 28.266 0.619 1.00 25.00 N ATOM 0 H ARG A 20 3.198 20.804 3.160 1.00 25.00 H new ATOM 0 HA ARG A 20 1.329 22.368 1.630 1.00 25.00 H new ATOM 0 HB2 ARG A 20 2.619 23.176 3.670 1.00 25.00 H new ATOM 0 HB3 ARG A 20 4.104 23.054 2.748 1.00 25.00 H new ATOM 0 HG2 ARG A 20 3.323 25.403 2.842 1.00 25.00 H new ATOM 0 HG3 ARG A 20 3.321 24.824 1.188 1.00 25.00 H new ATOM 0 HD2 ARG A 20 0.918 24.448 1.238 1.00 25.00 H new ATOM 0 HD3 ARG A 20 0.851 24.741 2.965 1.00 25.00 H new ATOM 0 HE ARG A 20 1.403 27.127 2.516 1.00 25.00 H new ATOM 0 HH11 ARG A 20 0.271 25.219 -0.264 1.00 25.00 H new ATOM 0 HH12 ARG A 20 -0.278 26.663 -1.120 1.00 25.00 H new ATOM 0 HH21 ARG A 20 0.666 28.869 1.387 1.00 25.00 H new ATOM 0 HH22 ARG A 20 -0.061 28.671 -0.211 1.00 25.00 H new ATOM 299 N SER A 21 4.188 21.563 0.270 1.00 25.00 N ATOM 300 CA SER A 21 5.055 21.731 -0.907 1.00 25.00 C ATOM 301 C SER A 21 5.530 20.481 -1.666 1.00 25.00 C ATOM 302 O SER A 21 6.338 20.598 -2.575 1.00 25.00 O ATOM 303 CB SER A 21 6.295 22.504 -0.467 1.00 25.00 C ATOM 304 OG SER A 21 5.950 23.513 0.476 1.00 25.00 O ATOM 0 H SER A 21 4.543 20.906 0.965 1.00 25.00 H new ATOM 0 HA SER A 21 4.412 22.239 -1.625 1.00 25.00 H new ATOM 0 HB2 SER A 21 7.019 21.819 -0.026 1.00 25.00 H new ATOM 0 HB3 SER A 21 6.773 22.958 -1.335 1.00 25.00 H new ATOM 0 HG SER A 21 6.758 23.997 0.748 1.00 25.00 H new ATOM 310 N SER A 22 5.101 19.284 -1.305 1.00 25.00 N ATOM 311 CA SER A 22 5.568 18.095 -2.026 1.00 25.00 C ATOM 312 C SER A 22 4.683 17.867 -3.247 1.00 25.00 C ATOM 313 O SER A 22 3.724 18.593 -3.466 1.00 25.00 O ATOM 314 CB SER A 22 5.526 16.876 -1.121 1.00 25.00 C ATOM 315 OG SER A 22 4.218 16.674 -0.645 1.00 25.00 O ATOM 0 H SER A 22 4.450 19.103 -0.541 1.00 25.00 H new ATOM 0 HA SER A 22 6.598 18.252 -2.345 1.00 25.00 H new ATOM 0 HB2 SER A 22 5.863 15.995 -1.668 1.00 25.00 H new ATOM 0 HB3 SER A 22 6.210 17.011 -0.283 1.00 25.00 H new ATOM 0 HG SER A 22 4.135 15.763 -0.294 1.00 25.00 H new ATOM 321 N PHE A 23 4.997 16.849 -4.032 1.00 25.00 N ATOM 322 CA PHE A 23 4.187 16.474 -5.178 1.00 25.00 C ATOM 323 C PHE A 23 4.164 14.960 -5.319 1.00 25.00 C ATOM 324 O PHE A 23 4.980 14.242 -4.722 1.00 25.00 O ATOM 325 CB PHE A 23 4.741 17.118 -6.456 1.00 25.00 C ATOM 326 CG PHE A 23 6.219 16.919 -6.647 1.00 25.00 C ATOM 327 CD1 PHE A 23 7.082 18.009 -6.519 1.00 25.00 C ATOM 328 CD2 PHE A 23 6.753 15.657 -6.970 1.00 25.00 C ATOM 329 CE1 PHE A 23 8.477 17.857 -6.710 1.00 25.00 C ATOM 330 CE2 PHE A 23 8.147 15.489 -7.152 1.00 25.00 C ATOM 331 CZ PHE A 23 9.009 16.594 -7.019 1.00 25.00 C ATOM 0 H PHE A 23 5.819 16.261 -3.893 1.00 25.00 H new ATOM 0 HA PHE A 23 3.169 16.832 -5.024 1.00 25.00 H new ATOM 0 HB2 PHE A 23 4.215 16.705 -7.317 1.00 25.00 H new ATOM 0 HB3 PHE A 23 4.528 18.187 -6.434 1.00 25.00 H new ATOM 0 HD1 PHE A 23 6.681 18.981 -6.271 1.00 25.00 H new ATOM 0 HD2 PHE A 23 6.093 14.809 -7.080 1.00 25.00 H new ATOM 0 HE1 PHE A 23 9.131 18.711 -6.618 1.00 25.00 H new ATOM 0 HE2 PHE A 23 8.548 14.515 -7.392 1.00 25.00 H new ATOM 0 HZ PHE A 23 10.074 16.471 -7.154 1.00 25.00 H new ATOM 341 N TYR A 24 3.311 14.497 -6.211 1.00 25.00 N ATOM 342 CA TYR A 24 3.341 13.114 -6.659 1.00 25.00 C ATOM 343 C TYR A 24 4.035 13.239 -7.995 1.00 25.00 C ATOM 344 O TYR A 24 3.824 14.207 -8.711 1.00 25.00 O ATOM 345 CB TYR A 24 1.943 12.560 -6.941 1.00 25.00 C ATOM 346 CG TYR A 24 1.124 12.121 -5.754 1.00 25.00 C ATOM 347 CD1 TYR A 24 1.526 11.046 -4.951 1.00 25.00 C ATOM 348 CD2 TYR A 24 -0.095 12.748 -5.469 1.00 25.00 C ATOM 349 CE1 TYR A 24 0.714 10.593 -3.874 1.00 25.00 C ATOM 350 CE2 TYR A 24 -0.909 12.313 -4.394 1.00 25.00 C ATOM 351 CZ TYR A 24 -0.498 11.230 -3.609 1.00 25.00 C ATOM 352 OH TYR A 24 -1.295 10.794 -2.586 1.00 25.00 O ATOM 0 H TYR A 24 2.581 15.062 -6.645 1.00 25.00 H new ATOM 0 HA TYR A 24 3.803 12.460 -5.919 1.00 25.00 H new ATOM 0 HB2 TYR A 24 1.379 13.323 -7.477 1.00 25.00 H new ATOM 0 HB3 TYR A 24 2.046 11.709 -7.614 1.00 25.00 H new ATOM 0 HD1 TYR A 24 2.466 10.554 -5.152 1.00 25.00 H new ATOM 0 HD2 TYR A 24 -0.420 13.578 -6.079 1.00 25.00 H new ATOM 0 HE1 TYR A 24 1.034 9.761 -3.265 1.00 25.00 H new ATOM 0 HE2 TYR A 24 -1.842 12.815 -4.182 1.00 25.00 H new ATOM 0 HH TYR A 24 -2.101 11.350 -2.539 1.00 25.00 H new ATOM 362 N SER A 25 4.841 12.257 -8.342 1.00 25.00 N ATOM 363 CA SER A 25 5.522 12.244 -9.621 1.00 25.00 C ATOM 364 C SER A 25 5.401 10.857 -10.188 1.00 25.00 C ATOM 365 O SER A 25 5.577 9.871 -9.469 1.00 25.00 O ATOM 366 CB SER A 25 6.996 12.602 -9.450 1.00 25.00 C ATOM 367 OG SER A 25 7.661 12.602 -10.702 1.00 25.00 O ATOM 0 H SER A 25 5.042 11.451 -7.751 1.00 25.00 H new ATOM 0 HA SER A 25 5.073 12.979 -10.289 1.00 25.00 H new ATOM 0 HB2 SER A 25 7.085 13.584 -8.985 1.00 25.00 H new ATOM 0 HB3 SER A 25 7.473 11.888 -8.779 1.00 25.00 H new ATOM 0 HG SER A 25 8.604 12.835 -10.572 1.00 25.00 H new ATOM 373 N CYS A 26 5.110 10.776 -11.470 1.00 25.00 N ATOM 374 CA CYS A 26 5.083 9.509 -12.174 1.00 25.00 C ATOM 375 C CYS A 26 6.258 9.565 -13.140 1.00 25.00 C ATOM 376 O CYS A 26 6.432 10.559 -13.844 1.00 25.00 O ATOM 377 CB CYS A 26 3.756 9.327 -12.917 1.00 25.00 C ATOM 378 SG CYS A 26 2.502 8.437 -11.938 1.00 25.00 S ATOM 0 H CYS A 26 4.886 11.583 -12.052 1.00 25.00 H new ATOM 0 HA CYS A 26 5.164 8.661 -11.495 1.00 25.00 H new ATOM 0 HB2 CYS A 26 3.364 10.306 -13.193 1.00 25.00 H new ATOM 0 HB3 CYS A 26 3.937 8.783 -13.844 1.00 25.00 H new ATOM 383 N ALA A 27 7.076 8.525 -13.128 1.00 25.00 N ATOM 384 CA ALA A 27 8.237 8.433 -14.007 1.00 25.00 C ATOM 385 C ALA A 27 8.395 6.965 -14.395 1.00 25.00 C ATOM 386 O ALA A 27 8.555 6.114 -13.520 1.00 25.00 O ATOM 387 CB ALA A 27 9.491 8.948 -13.288 1.00 25.00 C ATOM 0 H ALA A 27 6.957 7.721 -12.511 1.00 25.00 H new ATOM 0 HA ALA A 27 8.101 9.047 -14.897 1.00 25.00 H new ATOM 0 HB1 ALA A 27 10.350 8.874 -13.955 1.00 25.00 H new ATOM 0 HB2 ALA A 27 9.344 9.989 -13.001 1.00 25.00 H new ATOM 0 HB3 ALA A 27 9.672 8.348 -12.396 1.00 25.00 H new ATOM 393 N ALA A 28 8.277 6.674 -15.687 1.00 25.00 N ATOM 394 CA ALA A 28 8.294 5.305 -16.220 1.00 25.00 C ATOM 395 C ALA A 28 7.212 4.440 -15.543 1.00 25.00 C ATOM 396 O ALA A 28 7.410 3.245 -15.293 1.00 25.00 O ATOM 397 CB ALA A 28 9.700 4.675 -16.072 1.00 25.00 C ATOM 0 H ALA A 28 8.165 7.388 -16.407 1.00 25.00 H new ATOM 0 HA ALA A 28 8.063 5.348 -17.284 1.00 25.00 H new ATOM 0 HB1 ALA A 28 9.689 3.662 -16.473 1.00 25.00 H new ATOM 0 HB2 ALA A 28 10.427 5.274 -16.620 1.00 25.00 H new ATOM 0 HB3 ALA A 28 9.976 4.645 -15.018 1.00 25.00 H new ATOM 403 N GLY A 29 6.088 5.063 -15.207 1.00 25.00 N ATOM 404 CA GLY A 29 4.998 4.355 -14.543 1.00 25.00 C ATOM 405 C GLY A 29 5.255 4.052 -13.075 1.00 25.00 C ATOM 406 O GLY A 29 4.464 3.359 -12.427 1.00 25.00 O ATOM 0 H GLY A 29 5.907 6.052 -15.382 1.00 25.00 H new ATOM 0 HA2 GLY A 29 4.089 4.951 -14.626 1.00 25.00 H new ATOM 0 HA3 GLY A 29 4.814 3.418 -15.069 1.00 25.00 H new ATOM 410 N ARG A 30 6.360 4.548 -12.536 1.00 25.00 N ATOM 411 CA ARG A 30 6.706 4.328 -11.129 1.00 25.00 C ATOM 412 C ARG A 30 6.344 5.576 -10.351 1.00 25.00 C ATOM 413 O ARG A 30 6.475 6.684 -10.857 1.00 25.00 O ATOM 414 CB ARG A 30 8.211 4.048 -10.968 1.00 25.00 C ATOM 415 CG ARG A 30 8.756 2.929 -11.857 1.00 25.00 C ATOM 416 CD ARG A 30 8.033 1.594 -11.633 1.00 25.00 C ATOM 417 NE ARG A 30 8.655 0.505 -12.405 1.00 25.00 N ATOM 418 CZ ARG A 30 9.633 -0.288 -11.975 1.00 25.00 C ATOM 419 NH1 ARG A 30 10.099 -1.209 -12.773 1.00 25.00 N ATOM 420 NH2 ARG A 30 10.155 -0.181 -10.775 1.00 25.00 N ATOM 0 H ARG A 30 7.039 5.109 -13.051 1.00 25.00 H new ATOM 0 HA ARG A 30 6.157 3.463 -10.756 1.00 25.00 H new ATOM 0 HB2 ARG A 30 8.761 4.964 -11.183 1.00 25.00 H new ATOM 0 HB3 ARG A 30 8.409 3.794 -9.927 1.00 25.00 H new ATOM 0 HG2 ARG A 30 8.658 3.220 -12.903 1.00 25.00 H new ATOM 0 HG3 ARG A 30 9.820 2.799 -11.661 1.00 25.00 H new ATOM 0 HD2 ARG A 30 8.049 1.344 -10.572 1.00 25.00 H new ATOM 0 HD3 ARG A 30 6.986 1.693 -11.921 1.00 25.00 H new ATOM 0 HE ARG A 30 8.306 0.345 -13.350 1.00 25.00 H new ATOM 0 HH11 ARG A 30 9.714 -1.313 -13.712 1.00 25.00 H new ATOM 0 HH12 ARG A 30 10.849 -1.825 -12.458 1.00 25.00 H new ATOM 0 HH21 ARG A 30 9.812 0.532 -10.131 1.00 25.00 H new ATOM 0 HH22 ARG A 30 10.904 -0.811 -10.487 1.00 25.00 H new ATOM 434 N LEU A 31 5.893 5.390 -9.124 1.00 25.00 N ATOM 435 CA LEU A 31 5.499 6.508 -8.278 1.00 25.00 C ATOM 436 C LEU A 31 6.659 7.005 -7.431 1.00 25.00 C ATOM 437 O LEU A 31 7.261 6.243 -6.680 1.00 25.00 O ATOM 438 CB LEU A 31 4.371 6.075 -7.333 1.00 25.00 C ATOM 439 CG LEU A 31 3.886 7.163 -6.362 1.00 25.00 C ATOM 440 CD1 LEU A 31 3.345 8.385 -7.114 1.00 25.00 C ATOM 441 CD2 LEU A 31 2.826 6.580 -5.440 1.00 25.00 C ATOM 0 H LEU A 31 5.789 4.474 -8.688 1.00 25.00 H new ATOM 0 HA LEU A 31 5.168 7.311 -8.936 1.00 25.00 H new ATOM 0 HB2 LEU A 31 3.524 5.739 -7.932 1.00 25.00 H new ATOM 0 HB3 LEU A 31 4.712 5.217 -6.753 1.00 25.00 H new ATOM 0 HG LEU A 31 4.733 7.503 -5.766 1.00 25.00 H new ATOM 0 HD11 LEU A 31 3.011 9.135 -6.397 1.00 25.00 H new ATOM 0 HD12 LEU A 31 4.133 8.806 -7.739 1.00 25.00 H new ATOM 0 HD13 LEU A 31 2.506 8.084 -7.742 1.00 25.00 H new ATOM 0 HD21 LEU A 31 2.480 7.350 -4.750 1.00 25.00 H new ATOM 0 HD22 LEU A 31 1.985 6.221 -6.033 1.00 25.00 H new ATOM 0 HD23 LEU A 31 3.252 5.751 -4.875 1.00 25.00 H new ATOM 453 N PHE A 32 6.892 8.305 -7.486 1.00 25.00 N ATOM 454 CA PHE A 32 7.813 8.974 -6.579 1.00 25.00 C ATOM 455 C PHE A 32 6.997 10.034 -5.851 1.00 25.00 C ATOM 456 O PHE A 32 6.219 10.748 -6.471 1.00 25.00 O ATOM 457 CB PHE A 32 8.966 9.624 -7.345 1.00 25.00 C ATOM 458 CG PHE A 32 9.929 8.638 -7.930 1.00 25.00 C ATOM 459 CD1 PHE A 32 9.600 7.939 -9.103 1.00 25.00 C ATOM 460 CD2 PHE A 32 11.181 8.405 -7.324 1.00 25.00 C ATOM 461 CE1 PHE A 32 10.500 7.012 -9.680 1.00 25.00 C ATOM 462 CE2 PHE A 32 12.099 7.477 -7.890 1.00 25.00 C ATOM 463 CZ PHE A 32 11.753 6.781 -9.072 1.00 25.00 C ATOM 0 H PHE A 32 6.448 8.928 -8.161 1.00 25.00 H new ATOM 0 HA PHE A 32 8.259 8.263 -5.884 1.00 25.00 H new ATOM 0 HB2 PHE A 32 8.557 10.239 -8.147 1.00 25.00 H new ATOM 0 HB3 PHE A 32 9.506 10.292 -6.674 1.00 25.00 H new ATOM 0 HD1 PHE A 32 8.643 8.112 -9.573 1.00 25.00 H new ATOM 0 HD2 PHE A 32 11.445 8.936 -6.422 1.00 25.00 H new ATOM 0 HE1 PHE A 32 10.229 6.483 -10.582 1.00 25.00 H new ATOM 0 HE2 PHE A 32 13.056 7.305 -7.419 1.00 25.00 H new ATOM 0 HZ PHE A 32 12.445 6.075 -9.508 1.00 25.00 H new ATOM 473 N GLN A 33 7.143 10.120 -4.540 1.00 25.00 N ATOM 474 CA GLN A 33 6.488 11.169 -3.753 1.00 25.00 C ATOM 475 C GLN A 33 7.632 11.992 -3.168 1.00 25.00 C ATOM 476 O GLN A 33 8.403 11.480 -2.364 1.00 25.00 O ATOM 477 CB GLN A 33 5.602 10.551 -2.669 1.00 25.00 C ATOM 478 CG GLN A 33 4.364 9.824 -3.235 1.00 25.00 C ATOM 479 CD GLN A 33 3.812 8.792 -2.277 1.00 25.00 C ATOM 480 OE1 GLN A 33 2.764 8.975 -1.690 1.00 25.00 O ATOM 481 NE2 GLN A 33 4.510 7.695 -2.131 1.00 25.00 N ATOM 0 H GLN A 33 7.711 9.476 -3.989 1.00 25.00 H new ATOM 0 HA GLN A 33 5.823 11.793 -4.350 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.193 9.846 -2.084 1.00 25.00 H new ATOM 0 HB3 GLN A 33 5.274 11.335 -1.987 1.00 25.00 H new ATOM 0 HG2 GLN A 33 3.589 10.556 -3.462 1.00 25.00 H new ATOM 0 HG3 GLN A 33 4.629 9.339 -4.174 1.00 25.00 H new ATOM 0 HE21 GLN A 33 5.386 7.576 -2.640 1.00 25.00 H new ATOM 0 HE22 GLN A 33 4.178 6.959 -1.508 1.00 25.00 H new ATOM 490 N GLN A 34 7.825 13.201 -3.680 1.00 25.00 N ATOM 491 CA GLN A 34 9.018 13.998 -3.363 1.00 25.00 C ATOM 492 C GLN A 34 8.689 15.481 -3.333 1.00 25.00 C ATOM 493 O GLN A 34 7.618 15.883 -3.743 1.00 25.00 O ATOM 494 CB GLN A 34 10.099 13.780 -4.442 1.00 25.00 C ATOM 495 CG GLN A 34 10.671 12.363 -4.504 1.00 25.00 C ATOM 496 CD GLN A 34 11.861 12.254 -5.439 1.00 25.00 C ATOM 497 OE1 GLN A 34 12.942 11.880 -5.032 1.00 25.00 O ATOM 498 NE2 GLN A 34 11.660 12.564 -6.694 1.00 25.00 N ATOM 0 H GLN A 34 7.173 13.657 -4.318 1.00 25.00 H new ATOM 0 HA GLN A 34 9.376 13.678 -2.384 1.00 25.00 H new ATOM 0 HB2 GLN A 34 9.675 14.028 -5.415 1.00 25.00 H new ATOM 0 HB3 GLN A 34 10.916 14.479 -4.263 1.00 25.00 H new ATOM 0 HG2 GLN A 34 10.970 12.052 -3.503 1.00 25.00 H new ATOM 0 HG3 GLN A 34 9.892 11.675 -4.832 1.00 25.00 H new ATOM 0 HE21 GLN A 34 10.738 12.875 -7.001 1.00 25.00 H new ATOM 0 HE22 GLN A 34 12.425 12.495 -7.365 1.00 25.00 H new ATOM 507 N SER A 35 9.652 16.287 -2.914 1.00 25.00 N ATOM 508 CA SER A 35 9.557 17.739 -3.006 1.00 25.00 C ATOM 509 C SER A 35 10.645 18.151 -4.003 1.00 25.00 C ATOM 510 O SER A 35 11.534 17.355 -4.297 1.00 25.00 O ATOM 511 CB SER A 35 9.819 18.369 -1.641 1.00 25.00 C ATOM 512 OG SER A 35 11.071 17.936 -1.128 1.00 25.00 O ATOM 0 H SER A 35 10.523 15.955 -2.500 1.00 25.00 H new ATOM 0 HA SER A 35 8.568 18.067 -3.326 1.00 25.00 H new ATOM 0 HB2 SER A 35 9.810 19.456 -1.727 1.00 25.00 H new ATOM 0 HB3 SER A 35 9.022 18.098 -0.949 1.00 25.00 H new ATOM 0 HG SER A 35 11.227 18.349 -0.253 1.00 25.00 H new ATOM 518 N CYS A 36 10.590 19.367 -4.526 1.00 25.00 N ATOM 519 CA CYS A 36 11.624 19.836 -5.457 1.00 25.00 C ATOM 520 C CYS A 36 12.736 20.467 -4.604 1.00 25.00 C ATOM 521 O CYS A 36 12.448 21.276 -3.729 1.00 25.00 O ATOM 522 CB CYS A 36 11.029 20.860 -6.427 1.00 25.00 C ATOM 523 SG CYS A 36 11.715 20.806 -8.114 1.00 25.00 S ATOM 0 H CYS A 36 9.853 20.045 -4.329 1.00 25.00 H new ATOM 0 HA CYS A 36 12.022 19.017 -6.056 1.00 25.00 H new ATOM 0 HB2 CYS A 36 9.952 20.703 -6.483 1.00 25.00 H new ATOM 0 HB3 CYS A 36 11.184 21.859 -6.019 1.00 25.00 H new ATOM 528 N PRO A 37 14.003 20.051 -4.790 1.00 25.00 N ATOM 529 CA PRO A 37 15.005 20.552 -3.836 1.00 25.00 C ATOM 530 C PRO A 37 15.291 22.058 -3.878 1.00 25.00 C ATOM 531 O PRO A 37 15.288 22.715 -2.841 1.00 25.00 O ATOM 532 CB PRO A 37 16.255 19.735 -4.195 1.00 25.00 C ATOM 533 CG PRO A 37 16.069 19.362 -5.629 1.00 25.00 C ATOM 534 CD PRO A 37 14.594 19.092 -5.745 1.00 25.00 C ATOM 0 HA PRO A 37 14.646 20.429 -2.814 1.00 25.00 H new ATOM 0 HB2 PRO A 37 17.164 20.320 -4.053 1.00 25.00 H new ATOM 0 HB3 PRO A 37 16.344 18.850 -3.565 1.00 25.00 H new ATOM 0 HG2 PRO A 37 16.381 20.167 -6.295 1.00 25.00 H new ATOM 0 HG3 PRO A 37 16.658 18.483 -5.893 1.00 25.00 H new ATOM 0 HD2 PRO A 37 14.232 19.258 -6.760 1.00 25.00 H new ATOM 0 HD3 PRO A 37 14.351 18.062 -5.485 1.00 25.00 H new ATOM 542 N THR A 38 15.592 22.600 -5.051 1.00 25.00 N ATOM 543 CA THR A 38 15.911 24.015 -5.195 1.00 25.00 C ATOM 544 C THR A 38 14.783 24.818 -5.839 1.00 25.00 C ATOM 545 O THR A 38 14.299 24.454 -6.908 1.00 25.00 O ATOM 546 CB THR A 38 17.150 24.153 -6.065 1.00 25.00 C ATOM 547 OG1 THR A 38 17.232 23.017 -6.931 1.00 25.00 O ATOM 548 CG2 THR A 38 18.415 24.183 -5.216 1.00 25.00 C ATOM 0 H THR A 38 15.622 22.075 -5.925 1.00 25.00 H new ATOM 0 HA THR A 38 16.071 24.412 -4.192 1.00 25.00 H new ATOM 0 HB THR A 38 17.072 25.083 -6.628 1.00 25.00 H new ATOM 0 HG1 THR A 38 18.027 23.095 -7.499 1.00 25.00 H new ATOM 0 HG21 THR A 38 19.286 24.282 -5.864 1.00 25.00 H new ATOM 0 HG22 THR A 38 18.374 25.030 -4.531 1.00 25.00 H new ATOM 0 HG23 THR A 38 18.492 23.258 -4.644 1.00 25.00 H new ATOM 556 N GLY A 39 14.415 25.945 -5.240 1.00 25.00 N ATOM 557 CA GLY A 39 13.524 26.878 -5.917 1.00 25.00 C ATOM 558 C GLY A 39 12.088 26.416 -6.051 1.00 25.00 C ATOM 559 O GLY A 39 11.410 26.822 -6.969 1.00 25.00 O ATOM 0 H GLY A 39 14.712 26.230 -4.307 1.00 25.00 H new ATOM 0 HA2 GLY A 39 13.536 27.824 -5.376 1.00 25.00 H new ATOM 0 HA3 GLY A 39 13.920 27.076 -6.913 1.00 25.00 H new ATOM 563 N LEU A 40 11.662 25.501 -5.193 1.00 25.00 N ATOM 564 CA LEU A 40 10.384 24.811 -5.352 1.00 25.00 C ATOM 565 C LEU A 40 9.155 25.710 -5.567 1.00 25.00 C ATOM 566 O LEU A 40 8.693 26.396 -4.652 1.00 25.00 O ATOM 567 CB LEU A 40 10.167 23.963 -4.087 1.00 25.00 C ATOM 568 CG LEU A 40 9.095 22.857 -4.016 1.00 25.00 C ATOM 569 CD1 LEU A 40 9.300 22.135 -2.683 1.00 25.00 C ATOM 570 CD2 LEU A 40 7.656 23.340 -4.108 1.00 25.00 C ATOM 0 H LEU A 40 12.189 25.214 -4.368 1.00 25.00 H new ATOM 0 HA LEU A 40 10.460 24.226 -6.268 1.00 25.00 H new ATOM 0 HB2 LEU A 40 11.122 23.490 -3.859 1.00 25.00 H new ATOM 0 HB3 LEU A 40 9.954 24.659 -3.275 1.00 25.00 H new ATOM 0 HG LEU A 40 9.228 22.216 -4.887 1.00 25.00 H new ATOM 0 HD11 LEU A 40 8.562 21.339 -2.583 1.00 25.00 H new ATOM 0 HD12 LEU A 40 10.302 21.707 -2.651 1.00 25.00 H new ATOM 0 HD13 LEU A 40 9.182 22.844 -1.863 1.00 25.00 H new ATOM 0 HD21 LEU A 40 6.981 22.486 -4.048 1.00 25.00 H new ATOM 0 HD22 LEU A 40 7.449 24.025 -3.286 1.00 25.00 H new ATOM 0 HD23 LEU A 40 7.505 23.856 -5.056 1.00 25.00 H new ATOM 582 N VAL A 41 8.527 25.513 -6.723 1.00 25.00 N ATOM 583 CA VAL A 41 7.143 25.912 -6.989 1.00 25.00 C ATOM 584 C VAL A 41 6.674 24.856 -7.997 1.00 25.00 C ATOM 585 O VAL A 41 7.498 24.223 -8.665 1.00 25.00 O ATOM 586 CB VAL A 41 6.979 27.352 -7.601 1.00 25.00 C ATOM 587 CG1 VAL A 41 6.923 28.416 -6.499 1.00 25.00 C ATOM 588 CG2 VAL A 41 8.096 27.668 -8.561 1.00 25.00 C ATOM 0 H VAL A 41 8.974 25.061 -7.521 1.00 25.00 H new ATOM 0 HA VAL A 41 6.570 25.961 -6.063 1.00 25.00 H new ATOM 0 HB VAL A 41 6.037 27.365 -8.149 1.00 25.00 H new ATOM 0 HG11 VAL A 41 6.809 29.402 -6.950 1.00 25.00 H new ATOM 0 HG12 VAL A 41 6.075 28.217 -5.844 1.00 25.00 H new ATOM 0 HG13 VAL A 41 7.845 28.387 -5.918 1.00 25.00 H new ATOM 0 HG21 VAL A 41 7.954 28.670 -8.967 1.00 25.00 H new ATOM 0 HG22 VAL A 41 9.051 27.620 -8.037 1.00 25.00 H new ATOM 0 HG23 VAL A 41 8.092 26.943 -9.375 1.00 25.00 H new ATOM 598 N PHE A 42 5.371 24.643 -8.098 1.00 25.00 N ATOM 599 CA PHE A 42 4.813 23.650 -9.024 1.00 25.00 C ATOM 600 C PHE A 42 3.897 24.375 -9.992 1.00 25.00 C ATOM 601 O PHE A 42 3.060 25.169 -9.575 1.00 25.00 O ATOM 602 CB PHE A 42 4.021 22.586 -8.243 1.00 25.00 C ATOM 603 CG PHE A 42 3.185 21.673 -9.117 1.00 25.00 C ATOM 604 CD1 PHE A 42 3.724 21.087 -10.278 1.00 25.00 C ATOM 605 CD2 PHE A 42 1.840 21.401 -8.784 1.00 25.00 C ATOM 606 CE1 PHE A 42 2.930 20.262 -11.111 1.00 25.00 C ATOM 607 CE2 PHE A 42 1.044 20.554 -9.600 1.00 25.00 C ATOM 608 CZ PHE A 42 1.597 19.992 -10.769 1.00 25.00 C ATOM 0 H PHE A 42 4.671 25.144 -7.550 1.00 25.00 H new ATOM 0 HA PHE A 42 5.614 23.148 -9.567 1.00 25.00 H new ATOM 0 HB2 PHE A 42 4.719 21.980 -7.666 1.00 25.00 H new ATOM 0 HB3 PHE A 42 3.367 23.087 -7.529 1.00 25.00 H new ATOM 0 HD1 PHE A 42 4.757 21.269 -10.537 1.00 25.00 H new ATOM 0 HD2 PHE A 42 1.411 21.843 -7.897 1.00 25.00 H new ATOM 0 HE1 PHE A 42 3.352 19.840 -12.011 1.00 25.00 H new ATOM 0 HE2 PHE A 42 0.021 20.342 -9.327 1.00 25.00 H new ATOM 0 HZ PHE A 42 0.995 19.355 -11.400 1.00 25.00 H new ATOM 618 N SER A 43 4.054 24.093 -11.279 1.00 25.00 N ATOM 619 CA SER A 43 3.197 24.679 -12.299 1.00 25.00 C ATOM 620 C SER A 43 2.411 23.571 -12.978 1.00 25.00 C ATOM 621 O SER A 43 2.965 22.725 -13.681 1.00 25.00 O ATOM 622 CB SER A 43 4.025 25.450 -13.319 1.00 25.00 C ATOM 623 OG SER A 43 3.194 25.978 -14.335 1.00 25.00 O ATOM 0 H SER A 43 4.768 23.461 -11.641 1.00 25.00 H new ATOM 0 HA SER A 43 2.507 25.382 -11.832 1.00 25.00 H new ATOM 0 HB2 SER A 43 4.562 26.259 -12.823 1.00 25.00 H new ATOM 0 HB3 SER A 43 4.775 24.792 -13.759 1.00 25.00 H new ATOM 0 HG SER A 43 3.741 26.471 -14.981 1.00 25.00 H new ATOM 629 N ASN A 44 1.107 23.571 -12.748 1.00 25.00 N ATOM 630 CA ASN A 44 0.228 22.536 -13.292 1.00 25.00 C ATOM 631 C ASN A 44 0.212 22.544 -14.814 1.00 25.00 C ATOM 632 O ASN A 44 0.014 21.505 -15.432 1.00 25.00 O ATOM 633 CB ASN A 44 -1.213 22.727 -12.787 1.00 25.00 C ATOM 634 CG ASN A 44 -1.349 22.505 -11.297 1.00 25.00 C ATOM 635 OD1 ASN A 44 -0.704 23.163 -10.504 1.00 25.00 O ATOM 636 ND2 ASN A 44 -2.203 21.596 -10.914 1.00 25.00 N ATOM 0 H ASN A 44 0.629 24.276 -12.187 1.00 25.00 H new ATOM 0 HA ASN A 44 0.623 21.580 -12.949 1.00 25.00 H new ATOM 0 HB2 ASN A 44 -1.547 23.735 -13.031 1.00 25.00 H new ATOM 0 HB3 ASN A 44 -1.872 22.037 -13.314 1.00 25.00 H new ATOM 0 HD21 ASN A 44 -2.347 21.418 -9.920 1.00 25.00 H new ATOM 0 HD22 ASN A 44 -2.727 21.063 -11.609 1.00 25.00 H new ATOM 643 N SER A 45 0.404 23.713 -15.418 1.00 25.00 N ATOM 644 CA SER A 45 0.339 23.841 -16.878 1.00 25.00 C ATOM 645 C SER A 45 1.489 23.119 -17.585 1.00 25.00 C ATOM 646 O SER A 45 1.301 22.573 -18.660 1.00 25.00 O ATOM 647 CB SER A 45 0.340 25.318 -17.273 1.00 25.00 C ATOM 648 OG SER A 45 1.463 25.980 -16.714 1.00 25.00 O ATOM 0 H SER A 45 0.605 24.584 -14.926 1.00 25.00 H new ATOM 0 HA SER A 45 -0.589 23.367 -17.198 1.00 25.00 H new ATOM 0 HB2 SER A 45 0.359 25.410 -18.359 1.00 25.00 H new ATOM 0 HB3 SER A 45 -0.579 25.793 -16.929 1.00 25.00 H new ATOM 0 HG SER A 45 1.451 26.924 -16.977 1.00 25.00 H new ATOM 654 N CYS A 46 2.666 23.074 -16.967 1.00 25.00 N ATOM 655 CA CYS A 46 3.797 22.341 -17.547 1.00 25.00 C ATOM 656 C CYS A 46 3.856 20.940 -16.958 1.00 25.00 C ATOM 657 O CYS A 46 4.691 20.132 -17.364 1.00 25.00 O ATOM 658 CB CYS A 46 5.129 23.053 -17.276 1.00 25.00 C ATOM 659 SG CYS A 46 5.638 23.009 -15.530 1.00 25.00 S ATOM 0 H CYS A 46 2.865 23.529 -16.076 1.00 25.00 H new ATOM 0 HA CYS A 46 3.644 22.293 -18.625 1.00 25.00 H new ATOM 0 HB2 CYS A 46 5.908 22.593 -17.884 1.00 25.00 H new ATOM 0 HB3 CYS A 46 5.047 24.092 -17.596 1.00 25.00 H new ATOM 664 N LYS A 47 2.988 20.679 -15.979 1.00 25.00 N ATOM 665 CA LYS A 47 2.932 19.396 -15.262 1.00 25.00 C ATOM 666 C LYS A 47 4.295 19.106 -14.613 1.00 25.00 C ATOM 667 O LYS A 47 4.706 17.950 -14.483 1.00 25.00 O ATOM 668 CB LYS A 47 2.530 18.287 -16.260 1.00 25.00 C ATOM 669 CG LYS A 47 1.764 17.120 -15.689 1.00 25.00 C ATOM 670 CD LYS A 47 0.360 17.519 -15.247 1.00 25.00 C ATOM 671 CE LYS A 47 -0.539 16.298 -15.163 1.00 25.00 C ATOM 672 NZ LYS A 47 0.107 15.221 -14.355 1.00 25.00 N ATOM 0 H LYS A 47 2.297 21.356 -15.656 1.00 25.00 H new ATOM 0 HA LYS A 47 2.188 19.434 -14.466 1.00 25.00 H new ATOM 0 HB2 LYS A 47 1.928 18.738 -17.049 1.00 25.00 H new ATOM 0 HB3 LYS A 47 3.436 17.905 -16.730 1.00 25.00 H new ATOM 0 HG2 LYS A 47 1.698 16.329 -16.436 1.00 25.00 H new ATOM 0 HG3 LYS A 47 2.309 16.710 -14.839 1.00 25.00 H new ATOM 0 HD2 LYS A 47 0.405 18.012 -14.276 1.00 25.00 H new ATOM 0 HD3 LYS A 47 -0.059 18.238 -15.951 1.00 25.00 H new ATOM 0 HE2 LYS A 47 -1.493 16.573 -14.714 1.00 25.00 H new ATOM 0 HE3 LYS A 47 -0.753 15.928 -16.166 1.00 25.00 H new ATOM 0 HZ1 LYS A 47 -0.616 14.544 -14.038 1.00 25.00 H new ATOM 0 HZ2 LYS A 47 0.813 14.726 -14.937 1.00 25.00 H new ATOM 0 HZ3 LYS A 47 0.575 15.642 -13.527 1.00 25.00 H new ATOM 686 N CYS A 48 5.009 20.172 -14.271 1.00 25.00 N ATOM 687 CA CYS A 48 6.414 20.081 -13.889 1.00 25.00 C ATOM 688 C CYS A 48 6.803 21.025 -12.748 1.00 25.00 C ATOM 689 O CYS A 48 6.063 21.955 -12.407 1.00 25.00 O ATOM 690 CB CYS A 48 7.277 20.397 -15.123 1.00 25.00 C ATOM 691 SG CYS A 48 7.494 22.175 -15.525 1.00 25.00 S ATOM 0 H CYS A 48 4.633 21.120 -14.250 1.00 25.00 H new ATOM 0 HA CYS A 48 6.584 19.068 -13.524 1.00 25.00 H new ATOM 0 HB2 CYS A 48 8.263 19.956 -14.974 1.00 25.00 H new ATOM 0 HB3 CYS A 48 6.834 19.902 -15.987 1.00 25.00 H new ATOM 696 N CYS A 49 7.978 20.794 -12.178 1.00 25.00 N ATOM 697 CA CYS A 49 8.537 21.672 -11.157 1.00 25.00 C ATOM 698 C CYS A 49 9.146 22.860 -11.888 1.00 25.00 C ATOM 699 O CYS A 49 9.795 22.690 -12.922 1.00 25.00 O ATOM 700 CB CYS A 49 9.621 20.948 -10.350 1.00 25.00 C ATOM 701 SG CYS A 49 10.471 22.034 -9.154 1.00 25.00 S ATOM 0 H CYS A 49 8.569 19.996 -12.409 1.00 25.00 H new ATOM 0 HA CYS A 49 7.763 21.986 -10.457 1.00 25.00 H new ATOM 0 HB2 CYS A 49 9.170 20.112 -9.815 1.00 25.00 H new ATOM 0 HB3 CYS A 49 10.356 20.528 -11.036 1.00 25.00 H new ATOM 706 N THR A 50 8.944 24.046 -11.346 1.00 25.00 N ATOM 707 CA THR A 50 9.483 25.276 -11.914 1.00 25.00 C ATOM 708 C THR A 50 10.297 25.949 -10.821 1.00 25.00 C ATOM 709 O THR A 50 10.233 25.530 -9.666 1.00 25.00 O ATOM 710 CB THR A 50 8.347 26.202 -12.404 1.00 25.00 C ATOM 711 OG1 THR A 50 7.266 26.175 -11.467 1.00 25.00 O ATOM 712 CG2 THR A 50 7.795 25.722 -13.732 1.00 25.00 C ATOM 0 H THR A 50 8.399 24.188 -10.495 1.00 25.00 H new ATOM 0 HA THR A 50 10.107 25.059 -12.781 1.00 25.00 H new ATOM 0 HB THR A 50 8.760 27.206 -12.507 1.00 25.00 H new ATOM 0 HG1 THR A 50 6.548 26.764 -11.779 1.00 25.00 H new ATOM 0 HG21 THR A 50 6.997 26.389 -14.057 1.00 25.00 H new ATOM 0 HG22 THR A 50 8.591 25.719 -14.477 1.00 25.00 H new ATOM 0 HG23 THR A 50 7.400 24.712 -13.618 1.00 25.00 H new ATOM 720 N TRP A 51 11.081 26.958 -11.176 1.00 25.00 N ATOM 721 CA TRP A 51 11.898 27.669 -10.195 1.00 25.00 C ATOM 722 C TRP A 51 11.170 28.916 -9.719 1.00 25.00 C ATOM 723 O TRP A 51 10.433 29.550 -10.476 1.00 25.00 O ATOM 724 CB TRP A 51 13.246 28.050 -10.796 1.00 25.00 C ATOM 725 CG TRP A 51 14.402 27.603 -9.962 1.00 25.00 C ATOM 726 CD1 TRP A 51 15.052 26.416 -10.030 1.00 25.00 C ATOM 727 CD2 TRP A 51 15.061 28.341 -8.915 1.00 25.00 C ATOM 728 NE1 TRP A 51 16.069 26.345 -9.125 1.00 25.00 N ATOM 729 CE2 TRP A 51 16.115 27.514 -8.419 1.00 25.00 C ATOM 730 CE3 TRP A 51 14.869 29.613 -8.340 1.00 25.00 C ATOM 731 CZ2 TRP A 51 16.980 27.929 -7.387 1.00 25.00 C ATOM 732 CZ3 TRP A 51 15.732 30.032 -7.298 1.00 25.00 C ATOM 733 CH2 TRP A 51 16.781 29.184 -6.832 1.00 25.00 C ATOM 0 H TRP A 51 11.170 27.304 -12.132 1.00 25.00 H new ATOM 0 HA TRP A 51 12.072 27.010 -9.345 1.00 25.00 H new ATOM 0 HB2 TRP A 51 13.331 27.612 -11.791 1.00 25.00 H new ATOM 0 HB3 TRP A 51 13.290 29.132 -10.919 1.00 25.00 H new ATOM 0 HD1 TRP A 51 14.796 25.623 -10.717 1.00 25.00 H new ATOM 0 HE1 TRP A 51 16.694 25.549 -8.996 1.00 25.00 H new ATOM 0 HE3 TRP A 51 14.076 30.258 -8.688 1.00 25.00 H new ATOM 0 HZ2 TRP A 51 17.776 27.288 -7.038 1.00 25.00 H new ATOM 0 HZ3 TRP A 51 15.594 31.005 -6.851 1.00 25.00 H new ATOM 0 HH2 TRP A 51 17.428 29.524 -6.037 1.00 25.00 H new ATOM 744 N ASN A 52 11.348 29.252 -8.453 1.00 25.00 N ATOM 745 CA ASN A 52 10.627 30.354 -7.828 1.00 25.00 C ATOM 746 C ASN A 52 11.234 31.720 -8.149 1.00 25.00 C ATOM 747 O ASN A 52 12.175 32.164 -7.500 1.00 25.00 O ATOM 748 CB ASN A 52 10.585 30.145 -6.310 1.00 25.00 C ATOM 749 CG ASN A 52 9.622 31.079 -5.630 1.00 25.00 C ATOM 750 OD1 ASN A 52 8.896 31.814 -6.271 1.00 25.00 O ATOM 751 ND2 ASN A 52 9.593 31.037 -4.326 1.00 25.00 N ATOM 0 H ASN A 52 11.995 28.771 -7.828 1.00 25.00 H new ATOM 0 HA ASN A 52 9.617 30.353 -8.239 1.00 25.00 H new ATOM 0 HB2 ASN A 52 10.301 29.115 -6.095 1.00 25.00 H new ATOM 0 HB3 ASN A 52 11.583 30.293 -5.898 1.00 25.00 H new ATOM 0 HD21 ASN A 52 8.946 31.634 -3.811 1.00 25.00 H new ATOM 0 HD22 ASN A 52 10.217 30.407 -3.822 1.00 25.00 H new ATOM 758 N GLY A 53 10.667 32.384 -9.150 1.00 25.00 N ATOM 759 CA GLY A 53 11.065 33.743 -9.492 1.00 25.00 C ATOM 760 C GLY A 53 12.300 33.836 -10.361 1.00 25.00 C ATOM 761 O GLY A 53 12.784 34.929 -10.642 1.00 25.00 O ATOM 0 H GLY A 53 9.928 32.001 -9.740 1.00 25.00 H new ATOM 0 HA2 GLY A 53 10.237 34.232 -10.006 1.00 25.00 H new ATOM 0 HA3 GLY A 53 11.242 34.299 -8.571 1.00 25.00 H new ATOM 765 N LEU A 54 12.832 32.697 -10.778 1.00 25.00 N ATOM 766 CA LEU A 54 14.039 32.661 -11.599 1.00 25.00 C ATOM 767 C LEU A 54 13.842 31.731 -12.790 1.00 25.00 C ATOM 768 O LEU A 54 13.025 30.819 -12.736 1.00 25.00 O ATOM 769 CB LEU A 54 15.218 32.197 -10.746 1.00 25.00 C ATOM 770 CG LEU A 54 16.585 32.659 -11.264 1.00 25.00 C ATOM 771 CD1 LEU A 54 17.247 33.607 -10.274 1.00 25.00 C ATOM 772 CD2 LEU A 54 17.461 31.454 -11.516 1.00 25.00 C ATOM 0 H LEU A 54 12.446 31.778 -10.561 1.00 25.00 H new ATOM 0 HA LEU A 54 14.246 33.661 -11.980 1.00 25.00 H new ATOM 0 HB2 LEU A 54 15.084 32.565 -9.729 1.00 25.00 H new ATOM 0 HB3 LEU A 54 15.210 31.108 -10.695 1.00 25.00 H new ATOM 0 HG LEU A 54 16.445 33.201 -12.199 1.00 25.00 H new ATOM 0 HD11 LEU A 54 18.215 33.921 -10.663 1.00 25.00 H new ATOM 0 HD12 LEU A 54 16.613 34.482 -10.128 1.00 25.00 H new ATOM 0 HD13 LEU A 54 17.387 33.098 -9.321 1.00 25.00 H new ATOM 0 HD21 LEU A 54 18.433 31.782 -11.884 1.00 25.00 H new ATOM 0 HD22 LEU A 54 17.593 30.899 -10.587 1.00 25.00 H new ATOM 0 HD23 LEU A 54 16.990 30.810 -12.259 1.00 25.00 H new ATOM 784 N VAL A 55 14.614 31.944 -13.845 1.00 25.00 N ATOM 785 CA VAL A 55 14.605 31.052 -15.004 1.00 25.00 C ATOM 786 C VAL A 55 15.911 30.249 -14.915 1.00 25.00 C ATOM 787 O VAL A 55 16.986 30.818 -15.014 1.00 25.00 O ATOM 788 CB VAL A 55 14.531 31.851 -16.338 1.00 25.00 C ATOM 789 CG1 VAL A 55 14.553 30.903 -17.549 1.00 25.00 C ATOM 790 CG2 VAL A 55 13.246 32.703 -16.365 1.00 25.00 C ATOM 0 H VAL A 55 15.259 32.730 -13.926 1.00 25.00 H new ATOM 0 HA VAL A 55 13.730 30.403 -14.997 1.00 25.00 H new ATOM 0 HB VAL A 55 15.403 32.503 -16.397 1.00 25.00 H new ATOM 0 HG11 VAL A 55 14.500 31.486 -18.468 1.00 25.00 H new ATOM 0 HG12 VAL A 55 15.475 30.322 -17.540 1.00 25.00 H new ATOM 0 HG13 VAL A 55 13.699 30.228 -17.498 1.00 25.00 H new ATOM 0 HG21 VAL A 55 13.199 33.260 -17.300 1.00 25.00 H new ATOM 0 HG22 VAL A 55 12.376 32.051 -16.286 1.00 25.00 H new ATOM 0 HG23 VAL A 55 13.254 33.400 -15.527 1.00 25.00 H new ATOM 800 N PRO A 56 15.832 28.930 -14.641 1.00 25.00 N ATOM 801 CA PRO A 56 17.050 28.133 -14.446 1.00 25.00 C ATOM 802 C PRO A 56 17.590 27.522 -15.741 1.00 25.00 C ATOM 803 O PRO A 56 18.346 26.550 -15.708 1.00 25.00 O ATOM 804 CB PRO A 56 16.563 27.031 -13.507 1.00 25.00 C ATOM 805 CG PRO A 56 15.195 26.741 -14.010 1.00 25.00 C ATOM 806 CD PRO A 56 14.629 28.094 -14.443 1.00 25.00 C ATOM 0 HA PRO A 56 17.877 28.734 -14.067 1.00 25.00 H new ATOM 0 HB2 PRO A 56 17.204 26.151 -13.552 1.00 25.00 H new ATOM 0 HB3 PRO A 56 16.549 27.363 -12.469 1.00 25.00 H new ATOM 0 HG2 PRO A 56 15.223 26.041 -14.845 1.00 25.00 H new ATOM 0 HG3 PRO A 56 14.579 26.287 -13.234 1.00 25.00 H new ATOM 0 HD2 PRO A 56 14.045 28.009 -15.360 1.00 25.00 H new ATOM 0 HD3 PRO A 56 13.970 28.514 -13.683 1.00 25.00 H new ATOM 814 N ARG A 57 17.129 28.040 -16.872 1.00 25.00 N ATOM 815 CA ARG A 57 17.508 27.530 -18.191 1.00 25.00 C ATOM 816 C ARG A 57 18.648 28.352 -18.748 1.00 25.00 C ATOM 817 O ARG A 57 19.511 27.769 -19.422 1.00 25.00 O ATOM 818 CB ARG A 57 16.322 27.619 -19.164 1.00 25.00 C ATOM 819 CG ARG A 57 15.214 26.623 -18.901 1.00 25.00 C ATOM 820 CD ARG A 57 15.683 25.208 -19.214 1.00 25.00 C ATOM 821 NE ARG A 57 14.569 24.247 -19.220 1.00 25.00 N ATOM 822 CZ ARG A 57 14.682 22.957 -19.505 1.00 25.00 C ATOM 823 NH1 ARG A 57 13.612 22.212 -19.493 1.00 25.00 N ATOM 824 NH2 ARG A 57 15.830 22.405 -19.798 1.00 25.00 N ATOM 825 OXT ARG A 57 18.619 29.580 -18.544 1.00 25.00 O ATOM 0 H ARG A 57 16.481 28.827 -16.905 1.00 25.00 H new ATOM 0 HA ARG A 57 17.811 26.489 -18.081 1.00 25.00 H new ATOM 0 HB2 ARG A 57 15.906 28.625 -19.118 1.00 25.00 H new ATOM 0 HB3 ARG A 57 16.690 27.473 -20.179 1.00 25.00 H new ATOM 0 HG2 ARG A 57 14.900 26.686 -17.859 1.00 25.00 H new ATOM 0 HG3 ARG A 57 14.345 26.868 -19.511 1.00 25.00 H new ATOM 0 HD2 ARG A 57 16.177 25.196 -20.186 1.00 25.00 H new ATOM 0 HD3 ARG A 57 16.424 24.900 -18.476 1.00 25.00 H new ATOM 0 HE ARG A 57 13.640 24.599 -18.988 1.00 25.00 H new ATOM 0 HH11 ARG A 57 12.707 22.624 -19.267 1.00 25.00 H new ATOM 0 HH12 ARG A 57 13.680 21.218 -19.710 1.00 25.00 H new ATOM 0 HH21 ARG A 57 16.679 22.970 -19.813 1.00 25.00 H new ATOM 0 HH22 ARG A 57 15.877 21.409 -20.012 1.00 25.00 H new TER 839 ARG A 57