USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 606 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 51 GLN : amide:sc= -11.3! C(o=-15!,f=-17!) USER MOD Set 1.2: A 86 MET CE :methyl -162:sc= -3.35! (180deg=0) USER MOD Set 2.1: A 46 MET CE :methyl -120:sc= -2.5 (180deg=-3.32) USER MOD Set 2.2: A 85 GLN : amide:sc= -1.41 K(o=-3.9,f=-6.2!) USER MOD Single : A 3 MET CE :methyl -168:sc= -0.356 (180deg=-0.439) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.0858 K(o=-0.086,f=-3.5!) USER MOD Single : A 7 GLN : amide:sc= -3.35! C(o=-3.4!,f=-5.6!) USER MOD Single : A 15 SER OG : rot -94:sc= 0.101 USER MOD Single : A 18 MET CE :methyl 149:sc= -11! (180deg=-15.9!) USER MOD Single : A 23 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.25) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -173:sc= -0.0185 (180deg=-0.0578) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 158:sc= -1.99! (180deg=-3.61!) USER MOD Single : A 52 ASN : amide:sc= -2.86! C(o=-2.9!,f=-12!) USER MOD Single : A 54 THR OG1 : rot -179:sc= -3! USER MOD Single : A 55 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.299) USER MOD Single : A 72 THR OG1 : rot -28:sc= -2.59! USER MOD Single : A 81 MET CE :methyl -119:sc= -1.35 (180deg=-4.82!) USER MOD Single : A 82 MET CE :methyl -162:sc= -6.78! (180deg=-9.61!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 64.179 -6.647 -10.977 1.00 0.00 N ATOM 25 CA MET A 3 64.214 -5.590 -9.925 1.00 0.00 C ATOM 26 C MET A 3 62.864 -4.872 -9.856 1.00 0.00 C ATOM 27 O MET A 3 62.311 -4.669 -8.794 1.00 0.00 O ATOM 28 CB MET A 3 65.312 -4.625 -10.370 1.00 0.00 C ATOM 29 CG MET A 3 66.508 -4.740 -9.421 1.00 0.00 C ATOM 30 SD MET A 3 66.857 -3.120 -8.693 1.00 0.00 S ATOM 31 CE MET A 3 66.741 -3.622 -6.958 1.00 0.00 C ATOM 0 HA MET A 3 64.409 -5.999 -8.933 1.00 0.00 H new ATOM 0 HB2 MET A 3 65.620 -4.854 -11.390 1.00 0.00 H new ATOM 0 HB3 MET A 3 64.933 -3.603 -10.373 1.00 0.00 H new ATOM 0 HG2 MET A 3 66.295 -5.465 -8.636 1.00 0.00 H new ATOM 0 HG3 MET A 3 67.382 -5.104 -9.962 1.00 0.00 H new ATOM 0 HE1 MET A 3 66.712 -2.736 -6.324 1.00 0.00 H new ATOM 0 HE2 MET A 3 65.832 -4.205 -6.808 1.00 0.00 H new ATOM 0 HE3 MET A 3 67.608 -4.228 -6.696 1.00 0.00 H new ATOM 41 N THR A 4 62.330 -4.488 -10.982 1.00 0.00 N ATOM 42 CA THR A 4 61.016 -3.785 -10.984 1.00 0.00 C ATOM 43 C THR A 4 59.962 -4.633 -10.267 1.00 0.00 C ATOM 44 O THR A 4 58.987 -4.125 -9.751 1.00 0.00 O ATOM 45 CB THR A 4 60.658 -3.621 -12.461 1.00 0.00 C ATOM 46 OG1 THR A 4 61.454 -2.588 -13.027 1.00 0.00 O ATOM 47 CG2 THR A 4 59.178 -3.257 -12.593 1.00 0.00 C ATOM 0 H THR A 4 62.747 -4.631 -11.902 1.00 0.00 H new ATOM 0 HA THR A 4 61.059 -2.827 -10.466 1.00 0.00 H new ATOM 0 HB THR A 4 60.847 -4.557 -12.987 1.00 0.00 H new ATOM 0 HG1 THR A 4 61.227 -2.482 -13.975 1.00 0.00 H new ATOM 0 HG21 THR A 4 58.925 -3.140 -13.647 1.00 0.00 H new ATOM 0 HG22 THR A 4 58.568 -4.049 -12.159 1.00 0.00 H new ATOM 0 HG23 THR A 4 58.985 -2.322 -12.068 1.00 0.00 H new ATOM 55 N ASP A 5 60.149 -5.925 -10.231 1.00 0.00 N ATOM 56 CA ASP A 5 59.157 -6.804 -9.547 1.00 0.00 C ATOM 57 C ASP A 5 59.394 -6.789 -8.035 1.00 0.00 C ATOM 58 O ASP A 5 58.493 -6.542 -7.258 1.00 0.00 O ATOM 59 CB ASP A 5 59.407 -8.202 -10.115 1.00 0.00 C ATOM 60 CG ASP A 5 58.068 -8.874 -10.424 1.00 0.00 C ATOM 61 OD1 ASP A 5 57.133 -8.658 -9.671 1.00 0.00 O ATOM 62 OD2 ASP A 5 58.001 -9.591 -11.408 1.00 0.00 O ATOM 0 H ASP A 5 60.945 -6.410 -10.645 1.00 0.00 H new ATOM 0 HA ASP A 5 58.131 -6.475 -9.712 1.00 0.00 H new ATOM 0 HB2 ASP A 5 60.010 -8.136 -11.020 1.00 0.00 H new ATOM 0 HB3 ASP A 5 59.970 -8.801 -9.400 1.00 0.00 H new ATOM 67 N GLN A 6 60.600 -7.056 -7.612 1.00 0.00 N ATOM 68 CA GLN A 6 60.894 -7.058 -6.150 1.00 0.00 C ATOM 69 C GLN A 6 60.664 -5.663 -5.562 1.00 0.00 C ATOM 70 O GLN A 6 60.619 -5.485 -4.361 1.00 0.00 O ATOM 71 CB GLN A 6 62.369 -7.450 -6.044 1.00 0.00 C ATOM 72 CG GLN A 6 62.529 -8.559 -5.003 1.00 0.00 C ATOM 73 CD GLN A 6 63.860 -9.281 -5.224 1.00 0.00 C ATOM 74 OE1 GLN A 6 64.697 -9.320 -4.346 1.00 0.00 O ATOM 75 NE2 GLN A 6 64.091 -9.860 -6.371 1.00 0.00 N ATOM 0 H GLN A 6 61.394 -7.273 -8.215 1.00 0.00 H new ATOM 0 HA GLN A 6 60.250 -7.743 -5.599 1.00 0.00 H new ATOM 0 HB2 GLN A 6 62.736 -7.790 -7.012 1.00 0.00 H new ATOM 0 HB3 GLN A 6 62.967 -6.583 -5.762 1.00 0.00 H new ATOM 0 HG2 GLN A 6 62.495 -8.137 -3.999 1.00 0.00 H new ATOM 0 HG3 GLN A 6 61.703 -9.266 -5.080 1.00 0.00 H new ATOM 0 HE21 GLN A 6 63.388 -9.828 -7.109 1.00 0.00 H new ATOM 0 HE22 GLN A 6 64.974 -10.345 -6.529 1.00 0.00 H new ATOM 84 N GLN A 7 60.515 -4.672 -6.398 1.00 0.00 N ATOM 85 CA GLN A 7 60.285 -3.292 -5.885 1.00 0.00 C ATOM 86 C GLN A 7 58.850 -3.152 -5.370 1.00 0.00 C ATOM 87 O GLN A 7 58.620 -2.943 -4.197 1.00 0.00 O ATOM 88 CB GLN A 7 60.518 -2.377 -7.089 1.00 0.00 C ATOM 89 CG GLN A 7 60.485 -0.914 -6.635 1.00 0.00 C ATOM 90 CD GLN A 7 59.511 -0.129 -7.517 1.00 0.00 C ATOM 91 OE1 GLN A 7 58.393 -0.553 -7.733 1.00 0.00 O ATOM 92 NE2 GLN A 7 59.891 1.005 -8.039 1.00 0.00 N ATOM 0 H GLN A 7 60.543 -4.758 -7.414 1.00 0.00 H new ATOM 0 HA GLN A 7 60.945 -3.044 -5.053 1.00 0.00 H new ATOM 0 HB2 GLN A 7 61.479 -2.604 -7.551 1.00 0.00 H new ATOM 0 HB3 GLN A 7 59.752 -2.551 -7.845 1.00 0.00 H new ATOM 0 HG2 GLN A 7 60.178 -0.853 -5.591 1.00 0.00 H new ATOM 0 HG3 GLN A 7 61.482 -0.479 -6.700 1.00 0.00 H new ATOM 0 HE21 GLN A 7 60.830 1.361 -7.858 1.00 0.00 H new ATOM 0 HE22 GLN A 7 59.249 1.536 -8.628 1.00 0.00 H new ATOM 101 N ALA A 8 57.883 -3.267 -6.239 1.00 0.00 N ATOM 102 CA ALA A 8 56.464 -3.139 -5.795 1.00 0.00 C ATOM 103 C ALA A 8 56.219 -3.994 -4.550 1.00 0.00 C ATOM 104 O ALA A 8 55.555 -3.578 -3.621 1.00 0.00 O ATOM 105 CB ALA A 8 55.633 -3.651 -6.971 1.00 0.00 C ATOM 0 H ALA A 8 58.013 -3.444 -7.235 1.00 0.00 H new ATOM 0 HA ALA A 8 56.206 -2.114 -5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.574 -3.589 -6.722 1.00 0.00 H new ATOM 0 HB2 ALA A 8 55.835 -3.042 -7.852 1.00 0.00 H new ATOM 0 HB3 ALA A 8 55.897 -4.688 -7.179 1.00 0.00 H new ATOM 111 N GLU A 9 56.749 -5.185 -4.521 1.00 0.00 N ATOM 112 CA GLU A 9 56.545 -6.061 -3.333 1.00 0.00 C ATOM 113 C GLU A 9 57.473 -5.626 -2.195 1.00 0.00 C ATOM 114 O GLU A 9 57.293 -6.004 -1.055 1.00 0.00 O ATOM 115 CB GLU A 9 56.905 -7.468 -3.814 1.00 0.00 C ATOM 116 CG GLU A 9 55.915 -7.906 -4.895 1.00 0.00 C ATOM 117 CD GLU A 9 54.486 -7.637 -4.419 1.00 0.00 C ATOM 118 OE1 GLU A 9 54.229 -7.827 -3.242 1.00 0.00 O ATOM 119 OE2 GLU A 9 53.672 -7.248 -5.242 1.00 0.00 O ATOM 0 H GLU A 9 57.314 -5.590 -5.268 1.00 0.00 H new ATOM 0 HA GLU A 9 55.526 -6.011 -2.949 1.00 0.00 H new ATOM 0 HB2 GLU A 9 57.921 -7.480 -4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 9 56.880 -8.167 -2.978 1.00 0.00 H new ATOM 0 HG2 GLU A 9 56.109 -7.365 -5.821 1.00 0.00 H new ATOM 0 HG3 GLU A 9 56.043 -8.966 -5.112 1.00 0.00 H new ATOM 126 N ALA A 10 58.462 -4.830 -2.499 1.00 0.00 N ATOM 127 CA ALA A 10 59.401 -4.367 -1.437 1.00 0.00 C ATOM 128 C ALA A 10 58.776 -3.216 -0.640 1.00 0.00 C ATOM 129 O ALA A 10 59.259 -2.847 0.412 1.00 0.00 O ATOM 130 CB ALA A 10 60.643 -3.885 -2.188 1.00 0.00 C ATOM 0 H ALA A 10 58.660 -4.480 -3.436 1.00 0.00 H new ATOM 0 HA ALA A 10 59.636 -5.156 -0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.384 -3.527 -1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.063 -4.710 -2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.368 -3.074 -2.863 1.00 0.00 H new ATOM 136 N ARG A 11 57.714 -2.641 -1.136 1.00 0.00 N ATOM 137 CA ARG A 11 57.069 -1.509 -0.405 1.00 0.00 C ATOM 138 C ARG A 11 55.787 -1.974 0.295 1.00 0.00 C ATOM 139 O ARG A 11 55.618 -1.802 1.486 1.00 0.00 O ATOM 140 CB ARG A 11 56.724 -0.468 -1.476 1.00 0.00 C ATOM 141 CG ARG A 11 57.850 -0.367 -2.509 1.00 0.00 C ATOM 142 CD ARG A 11 57.309 -0.765 -3.884 1.00 0.00 C ATOM 143 NE ARG A 11 56.315 0.291 -4.227 1.00 0.00 N ATOM 144 CZ ARG A 11 56.474 1.015 -5.301 1.00 0.00 C ATOM 145 NH1 ARG A 11 56.404 0.460 -6.481 1.00 0.00 N ATOM 146 NH2 ARG A 11 56.698 2.296 -5.197 1.00 0.00 N ATOM 0 H ARG A 11 57.265 -2.904 -2.013 1.00 0.00 H new ATOM 0 HA ARG A 11 57.730 -1.108 0.363 1.00 0.00 H new ATOM 0 HB2 ARG A 11 55.792 -0.742 -1.971 1.00 0.00 H new ATOM 0 HB3 ARG A 11 56.563 0.504 -1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 11 58.242 0.650 -2.539 1.00 0.00 H new ATOM 0 HG3 ARG A 11 58.677 -1.019 -2.228 1.00 0.00 H new ATOM 0 HD2 ARG A 11 58.108 -0.811 -4.624 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.844 -1.750 -3.855 1.00 0.00 H new ATOM 0 HE ARG A 11 55.509 0.448 -3.622 1.00 0.00 H new ATOM 0 HH11 ARG A 11 56.225 -0.541 -6.564 1.00 0.00 H new ATOM 0 HH12 ARG A 11 56.528 1.027 -7.320 1.00 0.00 H new ATOM 0 HH21 ARG A 11 56.749 2.732 -4.276 1.00 0.00 H new ATOM 0 HH22 ARG A 11 56.822 2.862 -6.037 1.00 0.00 H new ATOM 160 N ALA A 12 54.874 -2.535 -0.448 1.00 0.00 N ATOM 161 CA ALA A 12 53.583 -2.988 0.149 1.00 0.00 C ATOM 162 C ALA A 12 53.791 -4.116 1.167 1.00 0.00 C ATOM 163 O ALA A 12 52.869 -4.511 1.853 1.00 0.00 O ATOM 164 CB ALA A 12 52.764 -3.489 -1.039 1.00 0.00 C ATOM 0 H ALA A 12 54.966 -2.701 -1.450 1.00 0.00 H new ATOM 0 HA ALA A 12 53.091 -2.182 0.694 1.00 0.00 H new ATOM 0 HB1 ALA A 12 51.794 -3.843 -0.689 1.00 0.00 H new ATOM 0 HB2 ALA A 12 52.619 -2.675 -1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 12 53.294 -4.307 -1.527 1.00 0.00 H new ATOM 170 N PHE A 13 54.979 -4.644 1.279 1.00 0.00 N ATOM 171 CA PHE A 13 55.198 -5.746 2.262 1.00 0.00 C ATOM 172 C PHE A 13 54.972 -5.233 3.690 1.00 0.00 C ATOM 173 O PHE A 13 54.834 -6.001 4.621 1.00 0.00 O ATOM 174 CB PHE A 13 56.648 -6.202 2.054 1.00 0.00 C ATOM 175 CG PHE A 13 57.595 -5.310 2.823 1.00 0.00 C ATOM 176 CD1 PHE A 13 57.995 -4.085 2.281 1.00 0.00 C ATOM 177 CD2 PHE A 13 58.076 -5.714 4.075 1.00 0.00 C ATOM 178 CE1 PHE A 13 58.875 -3.260 2.990 1.00 0.00 C ATOM 179 CE2 PHE A 13 58.957 -4.889 4.785 1.00 0.00 C ATOM 180 CZ PHE A 13 59.356 -3.662 4.243 1.00 0.00 C ATOM 0 H PHE A 13 55.799 -4.365 0.740 1.00 0.00 H new ATOM 0 HA PHE A 13 54.503 -6.573 2.116 1.00 0.00 H new ATOM 0 HB2 PHE A 13 56.762 -7.235 2.384 1.00 0.00 H new ATOM 0 HB3 PHE A 13 56.895 -6.177 0.993 1.00 0.00 H new ATOM 0 HD1 PHE A 13 57.625 -3.775 1.315 1.00 0.00 H new ATOM 0 HD2 PHE A 13 57.768 -6.661 4.492 1.00 0.00 H new ATOM 0 HE1 PHE A 13 59.183 -2.313 2.571 1.00 0.00 H new ATOM 0 HE2 PHE A 13 59.328 -5.199 5.750 1.00 0.00 H new ATOM 0 HZ PHE A 13 60.035 -3.025 4.791 1.00 0.00 H new ATOM 190 N LEU A 14 54.930 -3.940 3.866 1.00 0.00 N ATOM 191 CA LEU A 14 54.709 -3.378 5.232 1.00 0.00 C ATOM 192 C LEU A 14 53.569 -2.357 5.204 1.00 0.00 C ATOM 193 O LEU A 14 52.928 -2.154 4.193 1.00 0.00 O ATOM 194 CB LEU A 14 56.029 -2.698 5.608 1.00 0.00 C ATOM 195 CG LEU A 14 56.582 -1.933 4.402 1.00 0.00 C ATOM 196 CD1 LEU A 14 55.586 -0.853 3.975 1.00 0.00 C ATOM 197 CD2 LEU A 14 57.910 -1.274 4.782 1.00 0.00 C ATOM 0 H LEU A 14 55.039 -3.248 3.125 1.00 0.00 H new ATOM 0 HA LEU A 14 54.431 -4.148 5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 14 55.872 -2.015 6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 14 56.751 -3.444 5.939 1.00 0.00 H new ATOM 0 HG LEU A 14 56.739 -2.628 3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 14 55.983 -0.311 3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 14 54.639 -1.319 3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 14 55.426 -0.159 4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 14 58.304 -0.729 3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 14 57.749 -0.582 5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 14 58.623 -2.041 5.084 1.00 0.00 H new ATOM 209 N SER A 15 53.312 -1.710 6.309 1.00 0.00 N ATOM 210 CA SER A 15 52.214 -0.701 6.344 1.00 0.00 C ATOM 211 C SER A 15 52.774 0.701 6.091 1.00 0.00 C ATOM 212 O SER A 15 53.867 1.029 6.509 1.00 0.00 O ATOM 213 CB SER A 15 51.634 -0.795 7.754 1.00 0.00 C ATOM 214 OG SER A 15 52.687 -1.036 8.678 1.00 0.00 O ATOM 0 H SER A 15 53.814 -1.836 7.188 1.00 0.00 H new ATOM 0 HA SER A 15 51.461 -0.887 5.578 1.00 0.00 H new ATOM 0 HB2 SER A 15 51.115 0.129 8.009 1.00 0.00 H new ATOM 0 HB3 SER A 15 50.899 -1.598 7.805 1.00 0.00 H new ATOM 0 HG SER A 15 52.772 -2.000 8.833 1.00 0.00 H new ATOM 220 N GLU A 16 52.031 1.532 5.412 1.00 0.00 N ATOM 221 CA GLU A 16 52.520 2.912 5.136 1.00 0.00 C ATOM 222 C GLU A 16 52.944 3.593 6.440 1.00 0.00 C ATOM 223 O GLU A 16 53.704 4.539 6.440 1.00 0.00 O ATOM 224 CB GLU A 16 51.324 3.638 4.519 1.00 0.00 C ATOM 225 CG GLU A 16 51.768 5.010 4.009 1.00 0.00 C ATOM 226 CD GLU A 16 50.720 5.560 3.039 1.00 0.00 C ATOM 227 OE1 GLU A 16 49.596 5.086 3.081 1.00 0.00 O ATOM 228 OE2 GLU A 16 51.058 6.446 2.271 1.00 0.00 O ATOM 0 H GLU A 16 51.108 1.315 5.037 1.00 0.00 H new ATOM 0 HA GLU A 16 53.388 2.919 4.476 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.911 3.050 3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.533 3.752 5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.899 5.696 4.846 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.733 4.929 3.510 1.00 0.00 H new ATOM 235 N GLU A 17 52.456 3.115 7.552 1.00 0.00 N ATOM 236 CA GLU A 17 52.829 3.733 8.857 1.00 0.00 C ATOM 237 C GLU A 17 54.352 3.804 8.994 1.00 0.00 C ATOM 238 O GLU A 17 54.910 4.846 9.279 1.00 0.00 O ATOM 239 CB GLU A 17 52.236 2.804 9.918 1.00 0.00 C ATOM 240 CG GLU A 17 52.445 3.415 11.306 1.00 0.00 C ATOM 241 CD GLU A 17 52.889 2.325 12.283 1.00 0.00 C ATOM 242 OE1 GLU A 17 52.466 1.193 12.110 1.00 0.00 O ATOM 243 OE2 GLU A 17 53.644 2.640 13.188 1.00 0.00 O ATOM 0 H GLU A 17 51.815 2.324 7.614 1.00 0.00 H new ATOM 0 HA GLU A 17 52.456 4.753 8.953 1.00 0.00 H new ATOM 0 HB2 GLU A 17 51.173 2.654 9.732 1.00 0.00 H new ATOM 0 HB3 GLU A 17 52.711 1.824 9.865 1.00 0.00 H new ATOM 0 HG2 GLU A 17 53.196 4.203 11.258 1.00 0.00 H new ATOM 0 HG3 GLU A 17 51.521 3.876 11.655 1.00 0.00 H new ATOM 250 N MET A 18 55.030 2.706 8.796 1.00 0.00 N ATOM 251 CA MET A 18 56.517 2.718 8.919 1.00 0.00 C ATOM 252 C MET A 18 57.151 3.307 7.658 1.00 0.00 C ATOM 253 O MET A 18 58.220 3.882 7.703 1.00 0.00 O ATOM 254 CB MET A 18 56.919 1.255 9.089 1.00 0.00 C ATOM 255 CG MET A 18 58.410 1.177 9.425 1.00 0.00 C ATOM 256 SD MET A 18 58.981 -0.530 9.238 1.00 0.00 S ATOM 257 CE MET A 18 58.937 -0.576 7.430 1.00 0.00 C ATOM 0 H MET A 18 54.621 1.803 8.555 1.00 0.00 H new ATOM 0 HA MET A 18 56.852 3.330 9.756 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.331 0.794 9.883 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.711 0.700 8.174 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.977 1.836 8.767 1.00 0.00 H new ATOM 0 HG3 MET A 18 58.582 1.520 10.445 1.00 0.00 H new ATOM 0 HE1 MET A 18 59.712 -1.250 7.064 1.00 0.00 H new ATOM 0 HE2 MET A 18 57.961 -0.931 7.099 1.00 0.00 H new ATOM 0 HE3 MET A 18 59.112 0.425 7.036 1.00 0.00 H new ATOM 267 N ILE A 19 56.504 3.170 6.530 1.00 0.00 N ATOM 268 CA ILE A 19 57.082 3.729 5.275 1.00 0.00 C ATOM 269 C ILE A 19 57.633 5.132 5.541 1.00 0.00 C ATOM 270 O ILE A 19 58.604 5.553 4.946 1.00 0.00 O ATOM 271 CB ILE A 19 55.917 3.780 4.284 1.00 0.00 C ATOM 272 CG1 ILE A 19 55.644 2.369 3.752 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.277 4.706 3.119 1.00 0.00 C ATOM 274 CD1 ILE A 19 54.665 2.442 2.576 1.00 0.00 C ATOM 0 H ILE A 19 55.606 2.698 6.425 1.00 0.00 H new ATOM 0 HA ILE A 19 57.906 3.128 4.890 1.00 0.00 H new ATOM 0 HB ILE A 19 55.027 4.160 4.785 1.00 0.00 H new ATOM 0 HG12 ILE A 19 56.576 1.903 3.433 1.00 0.00 H new ATOM 0 HG13 ILE A 19 55.230 1.745 4.544 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.447 4.742 2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.475 5.708 3.499 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.166 4.327 2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 19 54.473 1.437 2.200 1.00 0.00 H new ATOM 0 HD12 ILE A 19 53.729 2.890 2.909 1.00 0.00 H new ATOM 0 HD13 ILE A 19 55.096 3.051 1.781 1.00 0.00 H new ATOM 286 N ALA A 20 57.024 5.852 6.444 1.00 0.00 N ATOM 287 CA ALA A 20 57.519 7.221 6.762 1.00 0.00 C ATOM 288 C ALA A 20 58.728 7.128 7.696 1.00 0.00 C ATOM 289 O ALA A 20 59.612 7.962 7.670 1.00 0.00 O ATOM 290 CB ALA A 20 56.351 7.916 7.463 1.00 0.00 C ATOM 0 H ALA A 20 56.206 5.551 6.974 1.00 0.00 H new ATOM 0 HA ALA A 20 57.837 7.766 5.874 1.00 0.00 H new ATOM 0 HB1 ALA A 20 56.640 8.933 7.729 1.00 0.00 H new ATOM 0 HB2 ALA A 20 55.491 7.946 6.794 1.00 0.00 H new ATOM 0 HB3 ALA A 20 56.089 7.365 8.366 1.00 0.00 H new ATOM 296 N GLU A 21 58.776 6.113 8.517 1.00 0.00 N ATOM 297 CA GLU A 21 59.929 5.959 9.447 1.00 0.00 C ATOM 298 C GLU A 21 61.236 5.950 8.652 1.00 0.00 C ATOM 299 O GLU A 21 62.202 6.590 9.017 1.00 0.00 O ATOM 300 CB GLU A 21 59.710 4.611 10.135 1.00 0.00 C ATOM 301 CG GLU A 21 60.978 4.209 10.891 1.00 0.00 C ATOM 302 CD GLU A 21 60.599 3.412 12.141 1.00 0.00 C ATOM 303 OE1 GLU A 21 59.748 3.878 12.880 1.00 0.00 O ATOM 304 OE2 GLU A 21 61.165 2.350 12.337 1.00 0.00 O ATOM 0 H GLU A 21 58.065 5.384 8.583 1.00 0.00 H new ATOM 0 HA GLU A 21 59.995 6.774 10.168 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.868 4.676 10.825 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.459 3.850 9.396 1.00 0.00 H new ATOM 0 HG2 GLU A 21 61.623 3.611 10.248 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.544 5.098 11.171 1.00 0.00 H new ATOM 311 N PHE A 22 61.268 5.234 7.562 1.00 0.00 N ATOM 312 CA PHE A 22 62.506 5.190 6.737 1.00 0.00 C ATOM 313 C PHE A 22 62.630 6.478 5.920 1.00 0.00 C ATOM 314 O PHE A 22 63.707 6.870 5.516 1.00 0.00 O ATOM 315 CB PHE A 22 62.324 3.981 5.815 1.00 0.00 C ATOM 316 CG PHE A 22 62.153 2.719 6.635 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.332 2.743 8.026 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.811 1.520 5.998 1.00 0.00 C ATOM 319 CE1 PHE A 22 62.170 1.572 8.775 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.649 0.348 6.747 1.00 0.00 C ATOM 321 CZ PHE A 22 61.828 0.374 8.135 1.00 0.00 C ATOM 0 H PHE A 22 60.490 4.678 7.208 1.00 0.00 H new ATOM 0 HA PHE A 22 63.409 5.105 7.341 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.453 4.129 5.176 1.00 0.00 H new ATOM 0 HB3 PHE A 22 63.188 3.882 5.158 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.595 3.667 8.520 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.672 1.499 4.927 1.00 0.00 H new ATOM 0 HE1 PHE A 22 62.309 1.592 9.846 1.00 0.00 H new ATOM 0 HE2 PHE A 22 61.386 -0.576 6.254 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.702 -0.530 8.713 1.00 0.00 H new ATOM 331 N LYS A 23 61.532 7.141 5.679 1.00 0.00 N ATOM 332 CA LYS A 23 61.578 8.407 4.892 1.00 0.00 C ATOM 333 C LYS A 23 62.495 9.422 5.579 1.00 0.00 C ATOM 334 O LYS A 23 63.533 9.784 5.063 1.00 0.00 O ATOM 335 CB LYS A 23 60.136 8.914 4.876 1.00 0.00 C ATOM 336 CG LYS A 23 59.954 9.898 3.719 1.00 0.00 C ATOM 337 CD LYS A 23 60.161 9.169 2.391 1.00 0.00 C ATOM 338 CE LYS A 23 59.497 9.963 1.264 1.00 0.00 C ATOM 339 NZ LYS A 23 60.319 11.197 1.128 1.00 0.00 N ATOM 0 H LYS A 23 60.603 6.860 5.994 1.00 0.00 H new ATOM 0 HA LYS A 23 61.969 8.255 3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.446 8.077 4.768 1.00 0.00 H new ATOM 0 HB3 LYS A 23 59.900 9.401 5.822 1.00 0.00 H new ATOM 0 HG2 LYS A 23 58.956 10.336 3.754 1.00 0.00 H new ATOM 0 HG3 LYS A 23 60.666 10.719 3.810 1.00 0.00 H new ATOM 0 HD2 LYS A 23 61.226 9.053 2.190 1.00 0.00 H new ATOM 0 HD3 LYS A 23 59.735 8.167 2.444 1.00 0.00 H new ATOM 0 HE2 LYS A 23 59.483 9.393 0.335 1.00 0.00 H new ATOM 0 HE3 LYS A 23 58.462 10.203 1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 60.082 11.676 0.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 60.123 11.835 1.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 61.328 10.944 1.127 1.00 0.00 H new ATOM 353 N ALA A 24 62.120 9.882 6.742 1.00 0.00 N ATOM 354 CA ALA A 24 62.973 10.872 7.461 1.00 0.00 C ATOM 355 C ALA A 24 64.384 10.309 7.651 1.00 0.00 C ATOM 356 O ALA A 24 65.345 11.042 7.770 1.00 0.00 O ATOM 357 CB ALA A 24 62.288 11.078 8.812 1.00 0.00 C ATOM 0 H ALA A 24 61.262 9.616 7.225 1.00 0.00 H new ATOM 0 HA ALA A 24 63.076 11.808 6.912 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.857 11.796 9.403 1.00 0.00 H new ATOM 0 HB2 ALA A 24 61.278 11.457 8.654 1.00 0.00 H new ATOM 0 HB3 ALA A 24 62.240 10.128 9.344 1.00 0.00 H new ATOM 363 N ALA A 25 64.515 9.010 7.680 1.00 0.00 N ATOM 364 CA ALA A 25 65.864 8.401 7.860 1.00 0.00 C ATOM 365 C ALA A 25 66.612 8.376 6.524 1.00 0.00 C ATOM 366 O ALA A 25 67.783 8.691 6.452 1.00 0.00 O ATOM 367 CB ALA A 25 65.593 6.978 8.349 1.00 0.00 C ATOM 0 H ALA A 25 63.747 8.345 7.587 1.00 0.00 H new ATOM 0 HA ALA A 25 66.482 8.962 8.561 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.540 6.461 8.506 1.00 0.00 H new ATOM 0 HB2 ALA A 25 65.040 7.015 9.287 1.00 0.00 H new ATOM 0 HB3 ALA A 25 65.006 6.442 7.603 1.00 0.00 H new ATOM 373 N PHE A 26 65.945 8.003 5.466 1.00 0.00 N ATOM 374 CA PHE A 26 66.619 7.960 4.137 1.00 0.00 C ATOM 375 C PHE A 26 67.129 9.353 3.760 1.00 0.00 C ATOM 376 O PHE A 26 68.156 9.499 3.129 1.00 0.00 O ATOM 377 CB PHE A 26 65.541 7.501 3.155 1.00 0.00 C ATOM 378 CG PHE A 26 66.170 7.244 1.807 1.00 0.00 C ATOM 379 CD1 PHE A 26 66.769 6.007 1.539 1.00 0.00 C ATOM 380 CD2 PHE A 26 66.154 8.242 0.825 1.00 0.00 C ATOM 381 CE1 PHE A 26 67.354 5.768 0.290 1.00 0.00 C ATOM 382 CE2 PHE A 26 66.740 8.003 -0.424 1.00 0.00 C ATOM 383 CZ PHE A 26 67.339 6.767 -0.692 1.00 0.00 C ATOM 0 H PHE A 26 64.963 7.726 5.464 1.00 0.00 H new ATOM 0 HA PHE A 26 67.481 7.292 4.134 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.060 6.595 3.523 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.765 8.261 3.068 1.00 0.00 H new ATOM 0 HD1 PHE A 26 66.780 5.237 2.296 1.00 0.00 H new ATOM 0 HD2 PHE A 26 65.690 9.195 1.031 1.00 0.00 H new ATOM 0 HE1 PHE A 26 67.817 4.814 0.084 1.00 0.00 H new ATOM 0 HE2 PHE A 26 66.730 8.773 -1.181 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.790 6.583 -1.656 1.00 0.00 H new ATOM 393 N ASP A 27 66.416 10.376 4.142 1.00 0.00 N ATOM 394 CA ASP A 27 66.860 11.760 3.805 1.00 0.00 C ATOM 395 C ASP A 27 68.154 12.096 4.551 1.00 0.00 C ATOM 396 O ASP A 27 68.769 13.117 4.318 1.00 0.00 O ATOM 397 CB ASP A 27 65.720 12.664 4.273 1.00 0.00 C ATOM 398 CG ASP A 27 64.729 12.868 3.125 1.00 0.00 C ATOM 399 OD1 ASP A 27 64.062 11.911 2.768 1.00 0.00 O ATOM 400 OD2 ASP A 27 64.655 13.978 2.623 1.00 0.00 O ATOM 0 H ASP A 27 65.547 10.315 4.672 1.00 0.00 H new ATOM 0 HA ASP A 27 67.067 11.882 2.742 1.00 0.00 H new ATOM 0 HB2 ASP A 27 65.215 12.217 5.129 1.00 0.00 H new ATOM 0 HB3 ASP A 27 66.115 13.625 4.602 1.00 0.00 H new ATOM 405 N MET A 28 68.574 11.244 5.446 1.00 0.00 N ATOM 406 CA MET A 28 69.829 11.516 6.203 1.00 0.00 C ATOM 407 C MET A 28 71.021 11.578 5.245 1.00 0.00 C ATOM 408 O MET A 28 72.019 12.212 5.520 1.00 0.00 O ATOM 409 CB MET A 28 69.978 10.335 7.164 1.00 0.00 C ATOM 410 CG MET A 28 69.012 10.506 8.338 1.00 0.00 C ATOM 411 SD MET A 28 69.956 10.740 9.865 1.00 0.00 S ATOM 412 CE MET A 28 69.093 12.225 10.435 1.00 0.00 C ATOM 0 H MET A 28 68.103 10.372 5.686 1.00 0.00 H new ATOM 0 HA MET A 28 69.793 12.469 6.730 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.771 9.400 6.643 1.00 0.00 H new ATOM 0 HB3 MET A 28 71.003 10.277 7.529 1.00 0.00 H new ATOM 0 HG2 MET A 28 68.361 11.363 8.165 1.00 0.00 H new ATOM 0 HG3 MET A 28 68.370 9.630 8.425 1.00 0.00 H new ATOM 0 HE1 MET A 28 69.520 12.553 11.383 1.00 0.00 H new ATOM 0 HE2 MET A 28 69.203 13.017 9.694 1.00 0.00 H new ATOM 0 HE3 MET A 28 68.035 12.001 10.572 1.00 0.00 H new ATOM 422 N PHE A 29 70.924 10.921 4.123 1.00 0.00 N ATOM 423 CA PHE A 29 72.052 10.938 3.146 1.00 0.00 C ATOM 424 C PHE A 29 71.538 11.355 1.766 1.00 0.00 C ATOM 425 O PHE A 29 72.177 11.127 0.758 1.00 0.00 O ATOM 426 CB PHE A 29 72.589 9.500 3.103 1.00 0.00 C ATOM 427 CG PHE A 29 72.443 8.847 4.460 1.00 0.00 C ATOM 428 CD1 PHE A 29 71.259 8.177 4.789 1.00 0.00 C ATOM 429 CD2 PHE A 29 73.488 8.915 5.388 1.00 0.00 C ATOM 430 CE1 PHE A 29 71.118 7.575 6.044 1.00 0.00 C ATOM 431 CE2 PHE A 29 73.348 8.314 6.645 1.00 0.00 C ATOM 432 CZ PHE A 29 72.163 7.643 6.973 1.00 0.00 C ATOM 0 H PHE A 29 70.113 10.372 3.839 1.00 0.00 H new ATOM 0 HA PHE A 29 72.829 11.646 3.434 1.00 0.00 H new ATOM 0 HB2 PHE A 29 72.046 8.924 2.354 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.637 9.504 2.804 1.00 0.00 H new ATOM 0 HD1 PHE A 29 70.453 8.125 4.073 1.00 0.00 H new ATOM 0 HD2 PHE A 29 74.402 9.431 5.135 1.00 0.00 H new ATOM 0 HE1 PHE A 29 70.204 7.058 6.296 1.00 0.00 H new ATOM 0 HE2 PHE A 29 74.154 8.368 7.362 1.00 0.00 H new ATOM 0 HZ PHE A 29 72.056 7.178 7.942 1.00 0.00 H new ATOM 442 N ASP A 30 70.385 11.963 1.715 1.00 0.00 N ATOM 443 CA ASP A 30 69.823 12.393 0.404 1.00 0.00 C ATOM 444 C ASP A 30 70.712 13.466 -0.231 1.00 0.00 C ATOM 445 O ASP A 30 70.456 14.647 -0.111 1.00 0.00 O ATOM 446 CB ASP A 30 68.443 12.963 0.735 1.00 0.00 C ATOM 447 CG ASP A 30 67.366 12.147 0.019 1.00 0.00 C ATOM 448 OD1 ASP A 30 67.491 11.963 -1.181 1.00 0.00 O ATOM 449 OD2 ASP A 30 66.434 11.722 0.682 1.00 0.00 O ATOM 0 H ASP A 30 69.807 12.181 2.526 1.00 0.00 H new ATOM 0 HA ASP A 30 69.765 11.571 -0.310 1.00 0.00 H new ATOM 0 HB2 ASP A 30 68.277 12.938 1.812 1.00 0.00 H new ATOM 0 HB3 ASP A 30 68.387 14.007 0.428 1.00 0.00 H new ATOM 490 N GLY A 35 65.141 11.808 -2.511 1.00 0.00 N ATOM 491 CA GLY A 35 65.044 11.153 -3.846 1.00 0.00 C ATOM 492 C GLY A 35 65.937 9.912 -3.871 1.00 0.00 C ATOM 493 O GLY A 35 65.523 8.846 -4.280 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.010 10.875 -4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 35 65.349 11.849 -4.628 1.00 0.00 H new ATOM 497 N ASP A 36 67.162 10.041 -3.438 1.00 0.00 N ATOM 498 CA ASP A 36 68.079 8.865 -3.439 1.00 0.00 C ATOM 499 C ASP A 36 69.410 9.226 -2.776 1.00 0.00 C ATOM 500 O ASP A 36 69.785 10.381 -2.703 1.00 0.00 O ATOM 501 CB ASP A 36 68.290 8.530 -4.918 1.00 0.00 C ATOM 502 CG ASP A 36 68.551 9.819 -5.702 1.00 0.00 C ATOM 503 OD1 ASP A 36 69.397 10.588 -5.275 1.00 0.00 O ATOM 504 OD2 ASP A 36 67.901 10.014 -6.715 1.00 0.00 O ATOM 0 H ASP A 36 67.567 10.908 -3.084 1.00 0.00 H new ATOM 0 HA ASP A 36 67.668 8.022 -2.883 1.00 0.00 H new ATOM 0 HB2 ASP A 36 69.132 7.847 -5.030 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.412 8.022 -5.316 1.00 0.00 H new ATOM 509 N ILE A 37 70.129 8.249 -2.297 1.00 0.00 N ATOM 510 CA ILE A 37 71.438 8.534 -1.641 1.00 0.00 C ATOM 511 C ILE A 37 72.588 8.110 -2.559 1.00 0.00 C ATOM 512 O ILE A 37 72.380 7.479 -3.577 1.00 0.00 O ATOM 513 CB ILE A 37 71.439 7.694 -0.364 1.00 0.00 C ATOM 514 CG1 ILE A 37 70.268 8.116 0.527 1.00 0.00 C ATOM 515 CG2 ILE A 37 72.753 7.909 0.389 1.00 0.00 C ATOM 516 CD1 ILE A 37 70.054 7.065 1.618 1.00 0.00 C ATOM 0 H ILE A 37 69.867 7.264 -2.331 1.00 0.00 H new ATOM 0 HA ILE A 37 71.569 9.595 -1.428 1.00 0.00 H new ATOM 0 HB ILE A 37 71.337 6.641 -0.625 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.471 9.087 0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 37 69.363 8.225 -0.071 1.00 0.00 H new ATOM 0 HG21 ILE A 37 72.753 7.310 1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 37 73.588 7.608 -0.243 1.00 0.00 H new ATOM 0 HG23 ILE A 37 72.856 8.963 0.648 1.00 0.00 H new ATOM 0 HD11 ILE A 37 69.220 7.364 2.253 1.00 0.00 H new ATOM 0 HD12 ILE A 37 69.832 6.102 1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.957 6.978 2.222 1.00 0.00 H new ATOM 528 N SER A 38 73.798 8.445 -2.206 1.00 0.00 N ATOM 529 CA SER A 38 74.956 8.055 -3.058 1.00 0.00 C ATOM 530 C SER A 38 75.195 6.545 -2.958 1.00 0.00 C ATOM 531 O SER A 38 75.226 5.983 -1.882 1.00 0.00 O ATOM 532 CB SER A 38 76.147 8.825 -2.488 1.00 0.00 C ATOM 533 OG SER A 38 75.981 10.210 -2.756 1.00 0.00 O ATOM 0 H SER A 38 74.035 8.972 -1.365 1.00 0.00 H new ATOM 0 HA SER A 38 74.792 8.284 -4.111 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.223 8.657 -1.414 1.00 0.00 H new ATOM 0 HB3 SER A 38 77.074 8.465 -2.933 1.00 0.00 H new ATOM 0 HG SER A 38 76.742 10.707 -2.390 1.00 0.00 H new ATOM 539 N THR A 39 75.361 5.884 -4.070 1.00 0.00 N ATOM 540 CA THR A 39 75.594 4.412 -4.032 1.00 0.00 C ATOM 541 C THR A 39 76.669 4.073 -2.996 1.00 0.00 C ATOM 542 O THR A 39 76.681 2.998 -2.428 1.00 0.00 O ATOM 543 CB THR A 39 76.074 4.048 -5.439 1.00 0.00 C ATOM 544 OG1 THR A 39 77.250 4.785 -5.741 1.00 0.00 O ATOM 545 CG2 THR A 39 74.981 4.386 -6.455 1.00 0.00 C ATOM 0 H THR A 39 75.346 6.298 -5.002 1.00 0.00 H new ATOM 0 HA THR A 39 74.696 3.860 -3.752 1.00 0.00 H new ATOM 0 HB THR A 39 76.292 2.981 -5.486 1.00 0.00 H new ATOM 0 HG1 THR A 39 77.560 4.552 -6.641 1.00 0.00 H new ATOM 0 HG21 THR A 39 75.323 4.127 -7.457 1.00 0.00 H new ATOM 0 HG22 THR A 39 74.079 3.820 -6.221 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.761 5.453 -6.411 1.00 0.00 H new ATOM 553 N LYS A 40 77.571 4.982 -2.744 1.00 0.00 N ATOM 554 CA LYS A 40 78.642 4.710 -1.744 1.00 0.00 C ATOM 555 C LYS A 40 78.127 4.992 -0.330 1.00 0.00 C ATOM 556 O LYS A 40 78.813 4.764 0.648 1.00 0.00 O ATOM 557 CB LYS A 40 79.774 5.672 -2.105 1.00 0.00 C ATOM 558 CG LYS A 40 81.076 5.195 -1.457 1.00 0.00 C ATOM 559 CD LYS A 40 82.265 5.642 -2.308 1.00 0.00 C ATOM 560 CE LYS A 40 82.496 7.141 -2.115 1.00 0.00 C ATOM 561 NZ LYS A 40 81.989 7.771 -3.365 1.00 0.00 N ATOM 0 H LYS A 40 77.613 5.900 -3.187 1.00 0.00 H new ATOM 0 HA LYS A 40 78.970 3.671 -1.761 1.00 0.00 H new ATOM 0 HB2 LYS A 40 79.891 5.722 -3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.533 6.679 -1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 40 81.163 5.602 -0.450 1.00 0.00 H new ATOM 0 HG3 LYS A 40 81.071 4.109 -1.363 1.00 0.00 H new ATOM 0 HD2 LYS A 40 83.158 5.086 -2.024 1.00 0.00 H new ATOM 0 HD3 LYS A 40 82.075 5.425 -3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 40 81.963 7.514 -1.240 1.00 0.00 H new ATOM 0 HE3 LYS A 40 83.552 7.361 -1.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 82.220 8.785 -3.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 82.435 7.318 -4.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 80.957 7.651 -3.421 1.00 0.00 H new ATOM 575 N GLU A 41 76.925 5.486 -0.214 1.00 0.00 N ATOM 576 CA GLU A 41 76.368 5.780 1.137 1.00 0.00 C ATOM 577 C GLU A 41 75.073 4.992 1.357 1.00 0.00 C ATOM 578 O GLU A 41 74.474 5.045 2.413 1.00 0.00 O ATOM 579 CB GLU A 41 76.086 7.283 1.130 1.00 0.00 C ATOM 580 CG GLU A 41 75.366 7.675 2.421 1.00 0.00 C ATOM 581 CD GLU A 41 76.035 8.910 3.027 1.00 0.00 C ATOM 582 OE1 GLU A 41 76.332 9.825 2.278 1.00 0.00 O ATOM 583 OE2 GLU A 41 76.239 8.919 4.230 1.00 0.00 O ATOM 0 H GLU A 41 76.305 5.699 -0.995 1.00 0.00 H new ATOM 0 HA GLU A 41 77.052 5.497 1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 41 77.020 7.838 1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 41 75.474 7.545 0.267 1.00 0.00 H new ATOM 0 HG2 GLU A 41 74.316 7.882 2.215 1.00 0.00 H new ATOM 0 HG3 GLU A 41 75.395 6.848 3.131 1.00 0.00 H new ATOM 590 N LEU A 42 74.638 4.261 0.367 1.00 0.00 N ATOM 591 CA LEU A 42 73.383 3.469 0.518 1.00 0.00 C ATOM 592 C LEU A 42 73.527 2.460 1.662 1.00 0.00 C ATOM 593 O LEU A 42 72.575 2.141 2.344 1.00 0.00 O ATOM 594 CB LEU A 42 73.209 2.746 -0.818 1.00 0.00 C ATOM 595 CG LEU A 42 71.966 1.857 -0.760 1.00 0.00 C ATOM 596 CD1 LEU A 42 71.216 1.942 -2.091 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.389 0.409 -0.507 1.00 0.00 C ATOM 0 H LEU A 42 75.097 4.178 -0.540 1.00 0.00 H new ATOM 0 HA LEU A 42 72.524 4.097 0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.113 3.471 -1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 42 74.091 2.143 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 42 71.315 2.194 0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.330 1.309 -2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 42 70.916 2.974 -2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 42 71.867 1.604 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.504 -0.226 -0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 42 73.039 0.073 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 42 72.925 0.347 0.440 1.00 0.00 H new ATOM 609 N GLY A 43 74.712 1.955 1.874 1.00 0.00 N ATOM 610 CA GLY A 43 74.914 0.966 2.971 1.00 0.00 C ATOM 611 C GLY A 43 74.681 1.643 4.323 1.00 0.00 C ATOM 612 O GLY A 43 74.356 1.001 5.302 1.00 0.00 O ATOM 0 H GLY A 43 75.548 2.184 1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 43 74.227 0.128 2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 43 75.924 0.559 2.926 1.00 0.00 H new ATOM 616 N THR A 44 74.843 2.937 4.387 1.00 0.00 N ATOM 617 CA THR A 44 74.630 3.652 5.678 1.00 0.00 C ATOM 618 C THR A 44 73.134 3.761 5.984 1.00 0.00 C ATOM 619 O THR A 44 72.676 3.368 7.038 1.00 0.00 O ATOM 620 CB THR A 44 75.240 5.038 5.469 1.00 0.00 C ATOM 621 OG1 THR A 44 76.653 4.922 5.375 1.00 0.00 O ATOM 622 CG2 THR A 44 74.879 5.940 6.652 1.00 0.00 C ATOM 0 H THR A 44 75.113 3.529 3.602 1.00 0.00 H new ATOM 0 HA THR A 44 75.086 3.130 6.519 1.00 0.00 H new ATOM 0 HB THR A 44 74.848 5.473 4.550 1.00 0.00 H new ATOM 0 HG1 THR A 44 77.046 5.810 5.239 1.00 0.00 H new ATOM 0 HG21 THR A 44 75.314 6.928 6.502 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.795 6.028 6.725 1.00 0.00 H new ATOM 0 HG23 THR A 44 75.270 5.507 7.573 1.00 0.00 H new ATOM 630 N VAL A 45 72.370 4.296 5.071 1.00 0.00 N ATOM 631 CA VAL A 45 70.904 4.431 5.313 1.00 0.00 C ATOM 632 C VAL A 45 70.342 3.129 5.892 1.00 0.00 C ATOM 633 O VAL A 45 69.345 3.125 6.585 1.00 0.00 O ATOM 634 CB VAL A 45 70.297 4.720 3.938 1.00 0.00 C ATOM 635 CG1 VAL A 45 70.232 3.429 3.118 1.00 0.00 C ATOM 636 CG2 VAL A 45 68.885 5.281 4.113 1.00 0.00 C ATOM 0 H VAL A 45 72.696 4.645 4.170 1.00 0.00 H new ATOM 0 HA VAL A 45 70.674 5.220 6.029 1.00 0.00 H new ATOM 0 HB VAL A 45 70.919 5.447 3.416 1.00 0.00 H new ATOM 0 HG11 VAL A 45 69.799 3.640 2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 45 71.237 3.028 2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 45 69.613 2.698 3.638 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.452 5.487 3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 45 68.267 4.553 4.638 1.00 0.00 H new ATOM 0 HG23 VAL A 45 68.929 6.203 4.692 1.00 0.00 H new ATOM 646 N MET A 46 70.976 2.024 5.610 1.00 0.00 N ATOM 647 CA MET A 46 70.479 0.724 6.142 1.00 0.00 C ATOM 648 C MET A 46 70.862 0.575 7.618 1.00 0.00 C ATOM 649 O MET A 46 70.038 0.268 8.455 1.00 0.00 O ATOM 650 CB MET A 46 71.179 -0.342 5.299 1.00 0.00 C ATOM 651 CG MET A 46 70.505 -0.437 3.928 1.00 0.00 C ATOM 652 SD MET A 46 71.492 -1.501 2.844 1.00 0.00 S ATOM 653 CE MET A 46 70.265 -2.816 2.637 1.00 0.00 C ATOM 0 H MET A 46 71.816 1.965 5.035 1.00 0.00 H new ATOM 0 HA MET A 46 69.394 0.643 6.085 1.00 0.00 H new ATOM 0 HB2 MET A 46 72.233 -0.092 5.181 1.00 0.00 H new ATOM 0 HB3 MET A 46 71.135 -1.307 5.805 1.00 0.00 H new ATOM 0 HG2 MET A 46 69.498 -0.841 4.033 1.00 0.00 H new ATOM 0 HG3 MET A 46 70.406 0.556 3.489 1.00 0.00 H new ATOM 0 HE1 MET A 46 70.674 -3.757 3.005 1.00 0.00 H new ATOM 0 HE2 MET A 46 69.366 -2.566 3.200 1.00 0.00 H new ATOM 0 HE3 MET A 46 70.015 -2.918 1.581 1.00 0.00 H new ATOM 663 N ARG A 47 72.108 0.789 7.940 1.00 0.00 N ATOM 664 CA ARG A 47 72.545 0.657 9.359 1.00 0.00 C ATOM 665 C ARG A 47 71.936 1.777 10.209 1.00 0.00 C ATOM 666 O ARG A 47 71.653 1.597 11.377 1.00 0.00 O ATOM 667 CB ARG A 47 74.069 0.781 9.317 1.00 0.00 C ATOM 668 CG ARG A 47 74.692 -0.615 9.271 1.00 0.00 C ATOM 669 CD ARG A 47 75.933 -0.652 10.166 1.00 0.00 C ATOM 670 NE ARG A 47 76.994 0.039 9.381 1.00 0.00 N ATOM 671 CZ ARG A 47 77.798 0.882 9.970 1.00 0.00 C ATOM 672 NH1 ARG A 47 78.083 0.736 11.235 1.00 0.00 N ATOM 673 NH2 ARG A 47 78.317 1.869 9.294 1.00 0.00 N ATOM 0 H ARG A 47 72.843 1.050 7.282 1.00 0.00 H new ATOM 0 HA ARG A 47 72.225 -0.285 9.803 1.00 0.00 H new ATOM 0 HB2 ARG A 47 74.374 1.356 8.443 1.00 0.00 H new ATOM 0 HB3 ARG A 47 74.425 1.321 10.194 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.968 -1.359 9.604 1.00 0.00 H new ATOM 0 HG3 ARG A 47 74.962 -0.870 8.246 1.00 0.00 H new ATOM 0 HD2 ARG A 47 75.751 -0.146 11.114 1.00 0.00 H new ATOM 0 HD3 ARG A 47 76.220 -1.677 10.401 1.00 0.00 H new ATOM 0 HE ARG A 47 77.092 -0.147 8.383 1.00 0.00 H new ATOM 0 HH11 ARG A 47 77.678 -0.037 11.763 1.00 0.00 H new ATOM 0 HH12 ARG A 47 78.711 1.395 11.696 1.00 0.00 H new ATOM 0 HH21 ARG A 47 78.095 1.982 8.305 1.00 0.00 H new ATOM 0 HH22 ARG A 47 78.945 2.528 9.754 1.00 0.00 H new ATOM 687 N MET A 48 71.731 2.929 9.633 1.00 0.00 N ATOM 688 CA MET A 48 71.141 4.055 10.413 1.00 0.00 C ATOM 689 C MET A 48 69.637 3.835 10.603 1.00 0.00 C ATOM 690 O MET A 48 68.978 4.573 11.309 1.00 0.00 O ATOM 691 CB MET A 48 71.399 5.302 9.567 1.00 0.00 C ATOM 692 CG MET A 48 72.569 6.088 10.162 1.00 0.00 C ATOM 693 SD MET A 48 71.937 7.319 11.330 1.00 0.00 S ATOM 694 CE MET A 48 71.694 6.200 12.732 1.00 0.00 C ATOM 0 H MET A 48 71.946 3.140 8.658 1.00 0.00 H new ATOM 0 HA MET A 48 71.577 4.142 11.408 1.00 0.00 H new ATOM 0 HB2 MET A 48 71.623 5.017 8.539 1.00 0.00 H new ATOM 0 HB3 MET A 48 70.506 5.926 9.537 1.00 0.00 H new ATOM 0 HG2 MET A 48 73.257 5.410 10.668 1.00 0.00 H new ATOM 0 HG3 MET A 48 73.132 6.579 9.368 1.00 0.00 H new ATOM 0 HE1 MET A 48 71.685 6.774 13.658 1.00 0.00 H new ATOM 0 HE2 MET A 48 70.744 5.677 12.620 1.00 0.00 H new ATOM 0 HE3 MET A 48 72.506 5.474 12.763 1.00 0.00 H new ATOM 704 N LEU A 49 69.090 2.827 9.982 1.00 0.00 N ATOM 705 CA LEU A 49 67.629 2.563 10.131 1.00 0.00 C ATOM 706 C LEU A 49 67.387 1.551 11.255 1.00 0.00 C ATOM 707 O LEU A 49 66.383 1.598 11.939 1.00 0.00 O ATOM 708 CB LEU A 49 67.189 1.985 8.786 1.00 0.00 C ATOM 709 CG LEU A 49 66.931 3.123 7.798 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.844 2.556 6.379 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.612 3.814 8.150 1.00 0.00 C ATOM 0 H LEU A 49 69.590 2.175 9.378 1.00 0.00 H new ATOM 0 HA LEU A 49 67.072 3.464 10.388 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.958 1.319 8.396 1.00 0.00 H new ATOM 0 HB3 LEU A 49 66.286 1.389 8.913 1.00 0.00 H new ATOM 0 HG LEU A 49 67.747 3.844 7.853 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.660 3.367 5.674 1.00 0.00 H new ATOM 0 HD12 LEU A 49 67.782 2.061 6.127 1.00 0.00 H new ATOM 0 HD13 LEU A 49 66.028 1.836 6.324 1.00 0.00 H new ATOM 0 HD21 LEU A 49 65.427 4.626 7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.797 3.092 8.094 1.00 0.00 H new ATOM 0 HD23 LEU A 49 65.671 4.217 9.161 1.00 0.00 H new ATOM 723 N GLY A 50 68.298 0.637 11.451 1.00 0.00 N ATOM 724 CA GLY A 50 68.116 -0.375 12.529 1.00 0.00 C ATOM 725 C GLY A 50 68.594 -1.742 12.038 1.00 0.00 C ATOM 726 O GLY A 50 68.856 -2.637 12.818 1.00 0.00 O ATOM 0 H GLY A 50 69.159 0.548 10.912 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.676 -0.080 13.416 1.00 0.00 H new ATOM 0 HA3 GLY A 50 67.066 -0.428 12.818 1.00 0.00 H new ATOM 730 N GLN A 51 68.712 -1.913 10.749 1.00 0.00 N ATOM 731 CA GLN A 51 69.173 -3.226 10.210 1.00 0.00 C ATOM 732 C GLN A 51 70.702 -3.253 10.124 1.00 0.00 C ATOM 733 O GLN A 51 71.380 -2.428 10.704 1.00 0.00 O ATOM 734 CB GLN A 51 68.554 -3.328 8.812 1.00 0.00 C ATOM 735 CG GLN A 51 67.104 -2.833 8.850 1.00 0.00 C ATOM 736 CD GLN A 51 66.380 -3.461 10.043 1.00 0.00 C ATOM 737 OE1 GLN A 51 66.361 -4.666 10.191 1.00 0.00 O ATOM 738 NE2 GLN A 51 65.778 -2.687 10.906 1.00 0.00 N ATOM 0 H GLN A 51 68.510 -1.202 10.046 1.00 0.00 H new ATOM 0 HA GLN A 51 68.874 -4.059 10.846 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.132 -2.735 8.104 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.587 -4.360 8.464 1.00 0.00 H new ATOM 0 HG2 GLN A 51 67.082 -1.746 8.929 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.595 -3.096 7.923 1.00 0.00 H new ATOM 0 HE21 GLN A 51 65.794 -1.675 10.781 1.00 0.00 H new ATOM 0 HE22 GLN A 51 65.292 -3.095 11.705 1.00 0.00 H new ATOM 747 N ASN A 52 71.251 -4.195 9.407 1.00 0.00 N ATOM 748 CA ASN A 52 72.736 -4.271 9.290 1.00 0.00 C ATOM 749 C ASN A 52 73.132 -5.090 8.059 1.00 0.00 C ATOM 750 O ASN A 52 73.279 -6.293 8.134 1.00 0.00 O ATOM 751 CB ASN A 52 73.196 -4.971 10.568 1.00 0.00 C ATOM 752 CG ASN A 52 74.515 -4.356 11.040 1.00 0.00 C ATOM 753 OD1 ASN A 52 74.832 -3.234 10.698 1.00 0.00 O ATOM 754 ND2 ASN A 52 75.302 -5.048 11.818 1.00 0.00 N ATOM 0 H ASN A 52 70.737 -4.914 8.898 1.00 0.00 H new ATOM 0 HA ASN A 52 73.191 -3.287 9.175 1.00 0.00 H new ATOM 0 HB2 ASN A 52 72.437 -4.870 11.344 1.00 0.00 H new ATOM 0 HB3 ASN A 52 73.325 -6.038 10.385 1.00 0.00 H new ATOM 0 HD21 ASN A 52 76.183 -4.647 12.139 1.00 0.00 H new ATOM 0 HD22 ASN A 52 75.036 -5.990 12.105 1.00 0.00 H new ATOM 761 N PRO A 53 73.295 -4.403 6.961 1.00 0.00 N ATOM 762 CA PRO A 53 73.682 -5.072 5.694 1.00 0.00 C ATOM 763 C PRO A 53 75.159 -5.475 5.733 1.00 0.00 C ATOM 764 O PRO A 53 76.026 -4.664 5.989 1.00 0.00 O ATOM 765 CB PRO A 53 73.443 -3.998 4.636 1.00 0.00 C ATOM 766 CG PRO A 53 73.552 -2.699 5.370 1.00 0.00 C ATOM 767 CD PRO A 53 73.133 -2.955 6.796 1.00 0.00 C ATOM 0 HA PRO A 53 73.121 -5.987 5.503 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.180 -4.062 3.836 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.462 -4.110 4.175 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.573 -2.320 5.331 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.914 -1.943 4.911 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.755 -2.401 7.500 1.00 0.00 H new ATOM 0 HD3 PRO A 53 72.102 -2.647 6.970 1.00 0.00 H new ATOM 775 N THR A 54 75.451 -6.721 5.481 1.00 0.00 N ATOM 776 CA THR A 54 76.874 -7.170 5.502 1.00 0.00 C ATOM 777 C THR A 54 77.691 -6.374 4.483 1.00 0.00 C ATOM 778 O THR A 54 77.191 -5.970 3.452 1.00 0.00 O ATOM 779 CB THR A 54 76.828 -8.650 5.115 1.00 0.00 C ATOM 780 OG1 THR A 54 75.680 -8.892 4.314 1.00 0.00 O ATOM 781 CG2 THR A 54 76.762 -9.511 6.378 1.00 0.00 C ATOM 0 H THR A 54 74.769 -7.447 5.262 1.00 0.00 H new ATOM 0 HA THR A 54 77.342 -7.018 6.474 1.00 0.00 H new ATOM 0 HB THR A 54 77.726 -8.906 4.552 1.00 0.00 H new ATOM 0 HG1 THR A 54 75.641 -9.842 4.077 1.00 0.00 H new ATOM 0 HG21 THR A 54 76.729 -10.564 6.099 1.00 0.00 H new ATOM 0 HG22 THR A 54 77.644 -9.325 6.991 1.00 0.00 H new ATOM 0 HG23 THR A 54 75.866 -9.258 6.945 1.00 0.00 H new ATOM 789 N LYS A 55 78.945 -6.144 4.761 1.00 0.00 N ATOM 790 CA LYS A 55 79.790 -5.372 3.805 1.00 0.00 C ATOM 791 C LYS A 55 79.706 -5.987 2.406 1.00 0.00 C ATOM 792 O LYS A 55 79.418 -5.313 1.437 1.00 0.00 O ATOM 793 CB LYS A 55 81.213 -5.482 4.352 1.00 0.00 C ATOM 794 CG LYS A 55 82.029 -4.273 3.893 1.00 0.00 C ATOM 795 CD LYS A 55 82.315 -3.365 5.091 1.00 0.00 C ATOM 796 CE LYS A 55 82.622 -1.950 4.597 1.00 0.00 C ATOM 797 NZ LYS A 55 83.914 -2.070 3.869 1.00 0.00 N ATOM 0 H LYS A 55 79.421 -6.457 5.607 1.00 0.00 H new ATOM 0 HA LYS A 55 79.466 -4.335 3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.193 -5.529 5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.679 -6.403 4.002 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.965 -4.603 3.442 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.483 -3.722 3.128 1.00 0.00 H new ATOM 0 HD2 LYS A 55 81.456 -3.349 5.762 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.158 -3.753 5.662 1.00 0.00 H new ATOM 0 HE2 LYS A 55 81.833 -1.580 3.942 1.00 0.00 H new ATOM 0 HE3 LYS A 55 82.701 -1.250 5.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 84.360 -1.133 3.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 84.545 -2.714 4.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 83.741 -2.447 2.915 1.00 0.00 H new ATOM 811 N GLU A 56 79.956 -7.263 2.293 1.00 0.00 N ATOM 812 CA GLU A 56 79.889 -7.916 0.955 1.00 0.00 C ATOM 813 C GLU A 56 78.542 -7.620 0.292 1.00 0.00 C ATOM 814 O GLU A 56 78.429 -7.587 -0.918 1.00 0.00 O ATOM 815 CB GLU A 56 80.033 -9.412 1.237 1.00 0.00 C ATOM 816 CG GLU A 56 80.107 -10.176 -0.086 1.00 0.00 C ATOM 817 CD GLU A 56 81.102 -11.332 0.046 1.00 0.00 C ATOM 818 OE1 GLU A 56 81.935 -11.272 0.935 1.00 0.00 O ATOM 819 OE2 GLU A 56 81.013 -12.257 -0.744 1.00 0.00 O ATOM 0 H GLU A 56 80.203 -7.880 3.067 1.00 0.00 H new ATOM 0 HA GLU A 56 80.663 -7.554 0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 56 80.931 -9.597 1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 56 79.187 -9.765 1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 56 79.122 -10.559 -0.352 1.00 0.00 H new ATOM 0 HG3 GLU A 56 80.416 -9.506 -0.888 1.00 0.00 H new ATOM 826 N GLU A 57 77.521 -7.402 1.074 1.00 0.00 N ATOM 827 CA GLU A 57 76.182 -7.105 0.487 1.00 0.00 C ATOM 828 C GLU A 57 76.112 -5.642 0.044 1.00 0.00 C ATOM 829 O GLU A 57 75.514 -5.317 -0.963 1.00 0.00 O ATOM 830 CB GLU A 57 75.187 -7.372 1.617 1.00 0.00 C ATOM 831 CG GLU A 57 74.971 -8.880 1.763 1.00 0.00 C ATOM 832 CD GLU A 57 74.254 -9.416 0.523 1.00 0.00 C ATOM 833 OE1 GLU A 57 73.177 -8.925 0.227 1.00 0.00 O ATOM 834 OE2 GLU A 57 74.794 -10.310 -0.109 1.00 0.00 O ATOM 0 H GLU A 57 77.555 -7.416 2.093 1.00 0.00 H new ATOM 0 HA GLU A 57 75.972 -7.713 -0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.562 -6.956 2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 57 74.239 -6.877 1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 57 75.929 -9.385 1.889 1.00 0.00 H new ATOM 0 HG3 GLU A 57 74.381 -9.089 2.656 1.00 0.00 H new ATOM 841 N LEU A 58 76.717 -4.756 0.786 1.00 0.00 N ATOM 842 CA LEU A 58 76.681 -3.315 0.401 1.00 0.00 C ATOM 843 C LEU A 58 77.288 -3.128 -0.991 1.00 0.00 C ATOM 844 O LEU A 58 76.710 -2.490 -1.848 1.00 0.00 O ATOM 845 CB LEU A 58 77.522 -2.596 1.458 1.00 0.00 C ATOM 846 CG LEU A 58 76.764 -2.564 2.785 1.00 0.00 C ATOM 847 CD1 LEU A 58 77.498 -1.653 3.771 1.00 0.00 C ATOM 848 CD2 LEU A 58 75.350 -2.027 2.551 1.00 0.00 C ATOM 0 H LEU A 58 77.234 -4.966 1.640 1.00 0.00 H new ATOM 0 HA LEU A 58 75.665 -2.924 0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 58 78.477 -3.106 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.744 -1.580 1.131 1.00 0.00 H new ATOM 0 HG LEU A 58 76.708 -3.572 3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 58 76.957 -1.630 4.717 1.00 0.00 H new ATOM 0 HD12 LEU A 58 78.505 -2.034 3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 58 77.555 -0.644 3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 58 74.808 -2.004 3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 58 75.407 -1.019 2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 58 74.826 -2.675 1.849 1.00 0.00 H new ATOM 860 N ASP A 59 78.447 -3.682 -1.226 1.00 0.00 N ATOM 861 CA ASP A 59 79.079 -3.536 -2.568 1.00 0.00 C ATOM 862 C ASP A 59 78.290 -4.340 -3.603 1.00 0.00 C ATOM 863 O ASP A 59 78.313 -4.045 -4.782 1.00 0.00 O ATOM 864 CB ASP A 59 80.492 -4.099 -2.407 1.00 0.00 C ATOM 865 CG ASP A 59 80.424 -5.621 -2.267 1.00 0.00 C ATOM 866 OD1 ASP A 59 80.329 -6.286 -3.286 1.00 0.00 O ATOM 867 OD2 ASP A 59 80.468 -6.095 -1.144 1.00 0.00 O ATOM 0 H ASP A 59 78.981 -4.227 -0.549 1.00 0.00 H new ATOM 0 HA ASP A 59 79.096 -2.502 -2.911 1.00 0.00 H new ATOM 0 HB2 ASP A 59 81.102 -3.830 -3.269 1.00 0.00 H new ATOM 0 HB3 ASP A 59 80.970 -3.664 -1.529 1.00 0.00 H new ATOM 872 N ALA A 60 77.589 -5.351 -3.169 1.00 0.00 N ATOM 873 CA ALA A 60 76.794 -6.172 -4.126 1.00 0.00 C ATOM 874 C ALA A 60 75.506 -5.436 -4.503 1.00 0.00 C ATOM 875 O ALA A 60 75.075 -5.463 -5.639 1.00 0.00 O ATOM 876 CB ALA A 60 76.474 -7.463 -3.372 1.00 0.00 C ATOM 0 H ALA A 60 77.532 -5.644 -2.194 1.00 0.00 H new ATOM 0 HA ALA A 60 77.334 -6.367 -5.053 1.00 0.00 H new ATOM 0 HB1 ALA A 60 75.888 -8.123 -4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 60 77.403 -7.960 -3.091 1.00 0.00 H new ATOM 0 HB3 ALA A 60 75.903 -7.228 -2.474 1.00 0.00 H new ATOM 882 N ILE A 61 74.890 -4.774 -3.561 1.00 0.00 N ATOM 883 CA ILE A 61 73.633 -4.035 -3.875 1.00 0.00 C ATOM 884 C ILE A 61 73.950 -2.806 -4.729 1.00 0.00 C ATOM 885 O ILE A 61 73.300 -2.544 -5.721 1.00 0.00 O ATOM 886 CB ILE A 61 73.064 -3.614 -2.522 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.721 -4.860 -1.701 1.00 0.00 C ATOM 888 CG2 ILE A 61 71.797 -2.787 -2.741 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.417 -4.457 -0.257 1.00 0.00 C ATOM 0 H ILE A 61 75.201 -4.713 -2.591 1.00 0.00 H new ATOM 0 HA ILE A 61 72.926 -4.645 -4.437 1.00 0.00 H new ATOM 0 HB ILE A 61 73.803 -3.018 -1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.861 -5.369 -2.136 1.00 0.00 H new ATOM 0 HG13 ILE A 61 73.553 -5.564 -1.725 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.388 -2.485 -1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.038 -1.900 -3.327 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.060 -3.386 -3.276 1.00 0.00 H new ATOM 0 HD11 ILE A 61 72.173 -5.346 0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 61 73.290 -3.968 0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 61 71.571 -3.770 -0.241 1.00 0.00 H new ATOM 901 N ILE A 62 74.947 -2.051 -4.353 1.00 0.00 N ATOM 902 CA ILE A 62 75.302 -0.845 -5.151 1.00 0.00 C ATOM 903 C ILE A 62 75.540 -1.241 -6.609 1.00 0.00 C ATOM 904 O ILE A 62 74.781 -0.891 -7.489 1.00 0.00 O ATOM 905 CB ILE A 62 76.591 -0.315 -4.525 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.290 0.253 -3.137 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.171 0.789 -5.412 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.597 0.421 -2.359 1.00 0.00 C ATOM 0 H ILE A 62 75.528 -2.217 -3.531 1.00 0.00 H new ATOM 0 HA ILE A 62 74.511 -0.095 -5.143 1.00 0.00 H new ATOM 0 HB ILE A 62 77.312 -1.128 -4.436 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.783 1.213 -3.228 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.617 -0.414 -2.598 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.091 1.168 -4.967 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.387 0.385 -6.401 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.449 1.601 -5.501 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.382 0.826 -1.370 1.00 0.00 H new ATOM 0 HD12 ILE A 62 78.086 -0.548 -2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 62 78.255 1.105 -2.896 1.00 0.00 H new ATOM 920 N GLU A 63 76.587 -1.978 -6.867 1.00 0.00 N ATOM 921 CA GLU A 63 76.870 -2.405 -8.267 1.00 0.00 C ATOM 922 C GLU A 63 75.572 -2.847 -8.948 1.00 0.00 C ATOM 923 O GLU A 63 75.354 -2.594 -10.116 1.00 0.00 O ATOM 924 CB GLU A 63 77.835 -3.581 -8.132 1.00 0.00 C ATOM 925 CG GLU A 63 78.458 -3.894 -9.493 1.00 0.00 C ATOM 926 CD GLU A 63 79.652 -4.832 -9.305 1.00 0.00 C ATOM 927 OE1 GLU A 63 80.033 -5.052 -8.166 1.00 0.00 O ATOM 928 OE2 GLU A 63 80.165 -5.314 -10.301 1.00 0.00 O ATOM 0 H GLU A 63 77.257 -2.302 -6.170 1.00 0.00 H new ATOM 0 HA GLU A 63 77.292 -1.603 -8.872 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.616 -3.342 -7.410 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.307 -4.456 -7.753 1.00 0.00 H new ATOM 0 HG2 GLU A 63 77.718 -4.357 -10.146 1.00 0.00 H new ATOM 0 HG3 GLU A 63 78.779 -2.972 -9.978 1.00 0.00 H new ATOM 935 N GLU A 64 74.707 -3.497 -8.219 1.00 0.00 N ATOM 936 CA GLU A 64 73.417 -3.948 -8.814 1.00 0.00 C ATOM 937 C GLU A 64 72.564 -2.727 -9.174 1.00 0.00 C ATOM 938 O GLU A 64 72.124 -2.571 -10.295 1.00 0.00 O ATOM 939 CB GLU A 64 72.750 -4.783 -7.714 1.00 0.00 C ATOM 940 CG GLU A 64 71.233 -4.817 -7.926 1.00 0.00 C ATOM 941 CD GLU A 64 70.673 -6.145 -7.411 1.00 0.00 C ATOM 942 OE1 GLU A 64 71.409 -7.117 -7.418 1.00 0.00 O ATOM 943 OE2 GLU A 64 69.519 -6.165 -7.020 1.00 0.00 O ATOM 0 H GLU A 64 74.838 -3.736 -7.236 1.00 0.00 H new ATOM 0 HA GLU A 64 73.548 -4.525 -9.730 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.149 -5.797 -7.724 1.00 0.00 H new ATOM 0 HB3 GLU A 64 72.979 -4.360 -6.736 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.763 -3.985 -7.402 1.00 0.00 H new ATOM 0 HG3 GLU A 64 71.001 -4.699 -8.984 1.00 0.00 H new ATOM 950 N VAL A 65 72.334 -1.858 -8.227 1.00 0.00 N ATOM 951 CA VAL A 65 71.517 -0.645 -8.511 1.00 0.00 C ATOM 952 C VAL A 65 72.367 0.399 -9.240 1.00 0.00 C ATOM 953 O VAL A 65 71.873 1.411 -9.694 1.00 0.00 O ATOM 954 CB VAL A 65 71.091 -0.127 -7.137 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.504 -1.276 -6.315 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.308 0.448 -6.408 1.00 0.00 C ATOM 0 H VAL A 65 72.677 -1.936 -7.269 1.00 0.00 H new ATOM 0 HA VAL A 65 70.659 -0.860 -9.148 1.00 0.00 H new ATOM 0 HB VAL A 65 70.339 0.652 -7.262 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.201 -0.905 -5.336 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.637 -1.687 -6.832 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.256 -2.056 -6.191 1.00 0.00 H new ATOM 0 HG21 VAL A 65 72.004 0.817 -5.428 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.060 -0.331 -6.285 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.727 1.268 -6.991 1.00 0.00 H new ATOM 966 N ASP A 66 73.646 0.157 -9.355 1.00 0.00 N ATOM 967 CA ASP A 66 74.534 1.130 -10.055 1.00 0.00 C ATOM 968 C ASP A 66 74.704 0.728 -11.523 1.00 0.00 C ATOM 969 O ASP A 66 75.805 0.584 -12.014 1.00 0.00 O ATOM 970 CB ASP A 66 75.871 1.044 -9.317 1.00 0.00 C ATOM 971 CG ASP A 66 76.614 2.375 -9.452 1.00 0.00 C ATOM 972 OD1 ASP A 66 76.155 3.212 -10.211 1.00 0.00 O ATOM 973 OD2 ASP A 66 77.629 2.534 -8.794 1.00 0.00 O ATOM 0 H ASP A 66 74.114 -0.674 -8.994 1.00 0.00 H new ATOM 0 HA ASP A 66 74.128 2.142 -10.048 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.704 0.814 -8.265 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.474 0.235 -9.728 1.00 0.00 H new ATOM 1030 N THR A 72 72.255 7.121 -8.192 1.00 0.00 N ATOM 1031 CA THR A 72 71.898 6.839 -6.772 1.00 0.00 C ATOM 1032 C THR A 72 70.744 5.835 -6.706 1.00 0.00 C ATOM 1033 O THR A 72 70.202 5.433 -7.717 1.00 0.00 O ATOM 1034 CB THR A 72 71.467 8.189 -6.197 1.00 0.00 C ATOM 1035 OG1 THR A 72 70.485 8.770 -7.043 1.00 0.00 O ATOM 1036 CG2 THR A 72 72.680 9.118 -6.105 1.00 0.00 C ATOM 0 HA THR A 72 72.729 6.405 -6.216 1.00 0.00 H new ATOM 0 HB THR A 72 71.049 8.043 -5.201 1.00 0.00 H new ATOM 0 HG1 THR A 72 70.620 8.459 -7.962 1.00 0.00 H new ATOM 0 HG21 THR A 72 72.371 10.080 -5.695 1.00 0.00 H new ATOM 0 HG22 THR A 72 73.432 8.671 -5.455 1.00 0.00 H new ATOM 0 HG23 THR A 72 73.101 9.266 -7.099 1.00 0.00 H new ATOM 1044 N ILE A 73 70.364 5.429 -5.526 1.00 0.00 N ATOM 1045 CA ILE A 73 69.244 4.452 -5.400 1.00 0.00 C ATOM 1046 C ILE A 73 67.923 5.189 -5.174 1.00 0.00 C ATOM 1047 O ILE A 73 67.824 6.064 -4.337 1.00 0.00 O ATOM 1048 CB ILE A 73 69.597 3.598 -4.183 1.00 0.00 C ATOM 1049 CG1 ILE A 73 68.546 2.500 -4.010 1.00 0.00 C ATOM 1050 CG2 ILE A 73 69.623 4.480 -2.932 1.00 0.00 C ATOM 1051 CD1 ILE A 73 68.878 1.324 -4.933 1.00 0.00 C ATOM 0 H ILE A 73 70.779 5.730 -4.644 1.00 0.00 H new ATOM 0 HA ILE A 73 69.120 3.848 -6.299 1.00 0.00 H new ATOM 0 HB ILE A 73 70.577 3.144 -4.329 1.00 0.00 H new ATOM 0 HG12 ILE A 73 68.521 2.166 -2.973 1.00 0.00 H new ATOM 0 HG13 ILE A 73 67.555 2.890 -4.243 1.00 0.00 H new ATOM 0 HG21 ILE A 73 69.875 3.872 -2.063 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.370 5.264 -3.055 1.00 0.00 H new ATOM 0 HG23 ILE A 73 68.642 4.933 -2.786 1.00 0.00 H new ATOM 0 HD11 ILE A 73 68.129 0.542 -4.809 1.00 0.00 H new ATOM 0 HD12 ILE A 73 68.880 1.664 -5.969 1.00 0.00 H new ATOM 0 HD13 ILE A 73 69.861 0.928 -4.679 1.00 0.00 H new ATOM 1063 N ASP A 74 66.905 4.843 -5.913 1.00 0.00 N ATOM 1064 CA ASP A 74 65.590 5.525 -5.738 1.00 0.00 C ATOM 1065 C ASP A 74 64.846 4.938 -4.535 1.00 0.00 C ATOM 1066 O ASP A 74 64.860 3.745 -4.307 1.00 0.00 O ATOM 1067 CB ASP A 74 64.824 5.245 -7.032 1.00 0.00 C ATOM 1068 CG ASP A 74 65.225 6.270 -8.096 1.00 0.00 C ATOM 1069 OD1 ASP A 74 66.019 7.142 -7.781 1.00 0.00 O ATOM 1070 OD2 ASP A 74 64.731 6.165 -9.206 1.00 0.00 O ATOM 0 H ASP A 74 66.926 4.118 -6.630 1.00 0.00 H new ATOM 0 HA ASP A 74 65.700 6.593 -5.552 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.040 4.236 -7.384 1.00 0.00 H new ATOM 0 HB3 ASP A 74 63.751 5.296 -6.850 1.00 0.00 H new ATOM 1075 N PHE A 75 64.196 5.768 -3.765 1.00 0.00 N ATOM 1076 CA PHE A 75 63.450 5.257 -2.579 1.00 0.00 C ATOM 1077 C PHE A 75 62.614 4.034 -2.964 1.00 0.00 C ATOM 1078 O PHE A 75 62.678 3.001 -2.327 1.00 0.00 O ATOM 1079 CB PHE A 75 62.542 6.412 -2.158 1.00 0.00 C ATOM 1080 CG PHE A 75 62.204 6.283 -0.692 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.201 5.397 -0.280 1.00 0.00 C ATOM 1082 CD2 PHE A 75 62.893 7.049 0.255 1.00 0.00 C ATOM 1083 CE1 PHE A 75 60.887 5.279 1.079 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.578 6.932 1.614 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.575 6.046 2.026 1.00 0.00 C ATOM 0 H PHE A 75 64.149 6.777 -3.906 1.00 0.00 H new ATOM 0 HA PHE A 75 64.117 4.945 -1.775 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.038 7.364 -2.345 1.00 0.00 H new ATOM 0 HB3 PHE A 75 61.629 6.406 -2.754 1.00 0.00 H new ATOM 0 HD1 PHE A 75 60.670 4.805 -1.011 1.00 0.00 H new ATOM 0 HD2 PHE A 75 63.668 7.731 -0.063 1.00 0.00 H new ATOM 0 HE1 PHE A 75 60.113 4.596 1.397 1.00 0.00 H new ATOM 0 HE2 PHE A 75 63.108 7.525 2.344 1.00 0.00 H new ATOM 0 HZ PHE A 75 61.332 5.955 3.074 1.00 0.00 H new ATOM 1095 N GLU A 76 61.830 4.144 -4.000 1.00 0.00 N ATOM 1096 CA GLU A 76 60.990 2.989 -4.425 1.00 0.00 C ATOM 1097 C GLU A 76 61.862 1.745 -4.613 1.00 0.00 C ATOM 1098 O GLU A 76 61.611 0.707 -4.035 1.00 0.00 O ATOM 1099 CB GLU A 76 60.371 3.423 -5.754 1.00 0.00 C ATOM 1100 CG GLU A 76 59.068 4.180 -5.486 1.00 0.00 C ATOM 1101 CD GLU A 76 58.349 4.444 -6.809 1.00 0.00 C ATOM 1102 OE1 GLU A 76 59.015 4.456 -7.831 1.00 0.00 O ATOM 1103 OE2 GLU A 76 57.143 4.628 -6.779 1.00 0.00 O ATOM 0 H GLU A 76 61.734 4.984 -4.571 1.00 0.00 H new ATOM 0 HA GLU A 76 60.230 2.732 -3.687 1.00 0.00 H new ATOM 0 HB2 GLU A 76 61.067 4.058 -6.302 1.00 0.00 H new ATOM 0 HB3 GLU A 76 60.176 2.551 -6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 76 58.428 3.599 -4.822 1.00 0.00 H new ATOM 0 HG3 GLU A 76 59.280 5.122 -4.981 1.00 0.00 H new ATOM 1110 N GLU A 77 62.890 1.843 -5.411 1.00 0.00 N ATOM 1111 CA GLU A 77 63.781 0.667 -5.627 1.00 0.00 C ATOM 1112 C GLU A 77 64.588 0.390 -4.356 1.00 0.00 C ATOM 1113 O GLU A 77 64.939 -0.736 -4.063 1.00 0.00 O ATOM 1114 CB GLU A 77 64.706 1.075 -6.772 1.00 0.00 C ATOM 1115 CG GLU A 77 65.668 -0.072 -7.087 1.00 0.00 C ATOM 1116 CD GLU A 77 66.578 0.330 -8.248 1.00 0.00 C ATOM 1117 OE1 GLU A 77 66.056 0.748 -9.268 1.00 0.00 O ATOM 1118 OE2 GLU A 77 67.784 0.215 -8.096 1.00 0.00 O ATOM 0 H GLU A 77 63.152 2.686 -5.923 1.00 0.00 H new ATOM 0 HA GLU A 77 63.225 -0.241 -5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.119 1.324 -7.656 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.267 1.969 -6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.266 -0.311 -6.208 1.00 0.00 H new ATOM 0 HG3 GLU A 77 65.107 -0.971 -7.345 1.00 0.00 H new ATOM 1125 N PHE A 78 64.879 1.411 -3.599 1.00 0.00 N ATOM 1126 CA PHE A 78 65.659 1.215 -2.344 1.00 0.00 C ATOM 1127 C PHE A 78 64.815 0.452 -1.319 1.00 0.00 C ATOM 1128 O PHE A 78 65.335 -0.224 -0.452 1.00 0.00 O ATOM 1129 CB PHE A 78 65.966 2.632 -1.850 1.00 0.00 C ATOM 1130 CG PHE A 78 66.346 2.597 -0.387 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.638 2.213 -0.007 1.00 0.00 C ATOM 1132 CD2 PHE A 78 65.406 2.951 0.588 1.00 0.00 C ATOM 1133 CE1 PHE A 78 67.989 2.184 1.348 1.00 0.00 C ATOM 1134 CE2 PHE A 78 65.758 2.923 1.942 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.049 2.539 2.323 1.00 0.00 C ATOM 0 H PHE A 78 64.610 2.375 -3.795 1.00 0.00 H new ATOM 0 HA PHE A 78 66.568 0.634 -2.500 1.00 0.00 H new ATOM 0 HB2 PHE A 78 66.779 3.062 -2.435 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.096 3.273 -1.993 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.363 1.939 -0.759 1.00 0.00 H new ATOM 0 HD2 PHE A 78 64.409 3.246 0.295 1.00 0.00 H new ATOM 0 HE1 PHE A 78 68.985 1.888 1.641 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.033 3.198 2.694 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.320 2.517 3.368 1.00 0.00 H new ATOM 1145 N LEU A 79 63.517 0.555 -1.411 1.00 0.00 N ATOM 1146 CA LEU A 79 62.642 -0.164 -0.443 1.00 0.00 C ATOM 1147 C LEU A 79 62.982 -1.656 -0.431 1.00 0.00 C ATOM 1148 O LEU A 79 62.794 -2.336 0.558 1.00 0.00 O ATOM 1149 CB LEU A 79 61.219 0.059 -0.954 1.00 0.00 C ATOM 1150 CG LEU A 79 60.605 1.266 -0.243 1.00 0.00 C ATOM 1151 CD1 LEU A 79 59.599 1.950 -1.171 1.00 0.00 C ATOM 1152 CD2 LEU A 79 59.890 0.797 1.026 1.00 0.00 C ATOM 0 H LEU A 79 63.025 1.106 -2.115 1.00 0.00 H new ATOM 0 HA LEU A 79 62.769 0.198 0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.230 0.225 -2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.613 -0.829 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 79 61.392 1.972 0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 79 59.162 2.810 -0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.107 2.283 -2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 79 58.810 1.245 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 79 59.451 1.655 1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 79 59.103 0.091 0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 79 60.606 0.310 1.688 1.00 0.00 H new ATOM 1164 N VAL A 80 63.481 -2.173 -1.521 1.00 0.00 N ATOM 1165 CA VAL A 80 63.830 -3.622 -1.563 1.00 0.00 C ATOM 1166 C VAL A 80 65.114 -3.879 -0.769 1.00 0.00 C ATOM 1167 O VAL A 80 65.310 -4.942 -0.218 1.00 0.00 O ATOM 1168 CB VAL A 80 64.030 -3.947 -3.046 1.00 0.00 C ATOM 1169 CG1 VAL A 80 65.378 -3.402 -3.522 1.00 0.00 C ATOM 1170 CG2 VAL A 80 64.002 -5.465 -3.238 1.00 0.00 C ATOM 0 H VAL A 80 63.662 -1.657 -2.382 1.00 0.00 H new ATOM 0 HA VAL A 80 63.055 -4.246 -1.118 1.00 0.00 H new ATOM 0 HB VAL A 80 63.231 -3.485 -3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 80 65.513 -3.637 -4.578 1.00 0.00 H new ATOM 0 HG12 VAL A 80 65.402 -2.321 -3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 80 66.180 -3.859 -2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 80 64.144 -5.701 -4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 80 64.801 -5.920 -2.653 1.00 0.00 H new ATOM 0 HG23 VAL A 80 63.041 -5.856 -2.905 1.00 0.00 H new ATOM 1180 N MET A 81 65.986 -2.911 -0.695 1.00 0.00 N ATOM 1181 CA MET A 81 67.247 -3.105 0.076 1.00 0.00 C ATOM 1182 C MET A 81 66.937 -3.083 1.573 1.00 0.00 C ATOM 1183 O MET A 81 67.630 -3.676 2.375 1.00 0.00 O ATOM 1184 CB MET A 81 68.134 -1.919 -0.307 1.00 0.00 C ATOM 1185 CG MET A 81 69.164 -2.364 -1.346 1.00 0.00 C ATOM 1186 SD MET A 81 68.320 -3.184 -2.721 1.00 0.00 S ATOM 1187 CE MET A 81 69.062 -4.819 -2.498 1.00 0.00 C ATOM 0 H MET A 81 65.880 -1.996 -1.134 1.00 0.00 H new ATOM 0 HA MET A 81 67.732 -4.056 -0.143 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.524 -1.110 -0.708 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.639 -1.529 0.577 1.00 0.00 H new ATOM 0 HG2 MET A 81 69.724 -1.503 -1.711 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.885 -3.043 -0.891 1.00 0.00 H new ATOM 0 HE1 MET A 81 69.624 -5.089 -3.392 1.00 0.00 H new ATOM 0 HE2 MET A 81 69.733 -4.800 -1.640 1.00 0.00 H new ATOM 0 HE3 MET A 81 68.276 -5.555 -2.328 1.00 0.00 H new ATOM 1197 N MET A 82 65.895 -2.396 1.949 1.00 0.00 N ATOM 1198 CA MET A 82 65.519 -2.318 3.389 1.00 0.00 C ATOM 1199 C MET A 82 64.665 -3.525 3.784 1.00 0.00 C ATOM 1200 O MET A 82 64.987 -4.261 4.695 1.00 0.00 O ATOM 1201 CB MET A 82 64.696 -1.038 3.500 1.00 0.00 C ATOM 1202 CG MET A 82 65.574 0.165 3.150 1.00 0.00 C ATOM 1203 SD MET A 82 67.031 0.178 4.223 1.00 0.00 S ATOM 1204 CE MET A 82 66.183 -0.258 5.761 1.00 0.00 C ATOM 0 H MET A 82 65.283 -1.881 1.316 1.00 0.00 H new ATOM 0 HA MET A 82 66.390 -2.316 4.044 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.839 -1.084 2.828 1.00 0.00 H new ATOM 0 HB3 MET A 82 64.302 -0.933 4.511 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.879 0.115 2.105 1.00 0.00 H new ATOM 0 HG3 MET A 82 65.010 1.089 3.273 1.00 0.00 H new ATOM 0 HE1 MET A 82 66.815 -0.001 6.611 1.00 0.00 H new ATOM 0 HE2 MET A 82 65.244 0.292 5.828 1.00 0.00 H new ATOM 0 HE3 MET A 82 65.978 -1.328 5.772 1.00 0.00 H new ATOM 1214 N VAL A 83 63.569 -3.719 3.106 1.00 0.00 N ATOM 1215 CA VAL A 83 62.674 -4.862 3.433 1.00 0.00 C ATOM 1216 C VAL A 83 63.446 -6.182 3.379 1.00 0.00 C ATOM 1217 O VAL A 83 63.337 -7.011 4.262 1.00 0.00 O ATOM 1218 CB VAL A 83 61.591 -4.820 2.359 1.00 0.00 C ATOM 1219 CG1 VAL A 83 62.240 -4.860 0.976 1.00 0.00 C ATOM 1220 CG2 VAL A 83 60.655 -6.018 2.522 1.00 0.00 C ATOM 0 H VAL A 83 63.253 -3.131 2.335 1.00 0.00 H new ATOM 0 HA VAL A 83 62.259 -4.792 4.438 1.00 0.00 H new ATOM 0 HB VAL A 83 61.017 -3.899 2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 83 61.465 -4.830 0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 83 62.900 -4.000 0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 83 62.818 -5.778 0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 83 59.883 -5.984 1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 83 61.225 -6.942 2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 83 60.188 -5.984 3.506 1.00 0.00 H new ATOM 1230 N ARG A 84 64.228 -6.385 2.356 1.00 0.00 N ATOM 1231 CA ARG A 84 65.005 -7.653 2.259 1.00 0.00 C ATOM 1232 C ARG A 84 65.983 -7.754 3.429 1.00 0.00 C ATOM 1233 O ARG A 84 66.216 -8.819 3.966 1.00 0.00 O ATOM 1234 CB ARG A 84 65.748 -7.557 0.929 1.00 0.00 C ATOM 1235 CG ARG A 84 64.732 -7.436 -0.207 1.00 0.00 C ATOM 1236 CD ARG A 84 64.231 -8.829 -0.596 1.00 0.00 C ATOM 1237 NE ARG A 84 63.387 -8.610 -1.803 1.00 0.00 N ATOM 1238 CZ ARG A 84 62.186 -9.117 -1.859 1.00 0.00 C ATOM 1239 NH1 ARG A 84 61.212 -8.560 -1.192 1.00 0.00 N ATOM 1240 NH2 ARG A 84 61.959 -10.180 -2.582 1.00 0.00 N ATOM 0 H ARG A 84 64.363 -5.731 1.585 1.00 0.00 H new ATOM 0 HA ARG A 84 64.372 -8.539 2.301 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.413 -6.693 0.932 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.372 -8.439 0.783 1.00 0.00 H new ATOM 0 HG2 ARG A 84 63.895 -6.811 0.105 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.190 -6.949 -1.068 1.00 0.00 H new ATOM 0 HD2 ARG A 84 65.061 -9.501 -0.811 1.00 0.00 H new ATOM 0 HD3 ARG A 84 63.656 -9.282 0.212 1.00 0.00 H new ATOM 0 HE ARG A 84 63.747 -8.064 -2.586 1.00 0.00 H new ATOM 0 HH11 ARG A 84 61.390 -7.729 -0.628 1.00 0.00 H new ATOM 0 HH12 ARG A 84 60.273 -8.956 -1.235 1.00 0.00 H new ATOM 0 HH21 ARG A 84 62.721 -10.614 -3.103 1.00 0.00 H new ATOM 0 HH22 ARG A 84 61.020 -10.576 -2.626 1.00 0.00 H new ATOM 1254 N GLN A 85 66.546 -6.652 3.842 1.00 0.00 N ATOM 1255 CA GLN A 85 67.495 -6.689 4.990 1.00 0.00 C ATOM 1256 C GLN A 85 66.706 -6.818 6.293 1.00 0.00 C ATOM 1257 O GLN A 85 67.138 -7.453 7.235 1.00 0.00 O ATOM 1258 CB GLN A 85 68.243 -5.356 4.941 1.00 0.00 C ATOM 1259 CG GLN A 85 69.222 -5.277 6.115 1.00 0.00 C ATOM 1260 CD GLN A 85 70.400 -6.221 5.864 1.00 0.00 C ATOM 1261 OE1 GLN A 85 71.049 -6.142 4.840 1.00 0.00 O ATOM 1262 NE2 GLN A 85 70.705 -7.116 6.763 1.00 0.00 N ATOM 0 H GLN A 85 66.390 -5.730 3.435 1.00 0.00 H new ATOM 0 HA GLN A 85 68.184 -7.532 4.938 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.781 -5.263 3.998 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.536 -4.528 4.987 1.00 0.00 H new ATOM 0 HG2 GLN A 85 69.581 -4.255 6.234 1.00 0.00 H new ATOM 0 HG3 GLN A 85 68.717 -5.548 7.042 1.00 0.00 H new ATOM 0 HE21 GLN A 85 70.160 -7.182 7.623 1.00 0.00 H new ATOM 0 HE22 GLN A 85 71.489 -7.750 6.606 1.00 0.00 H new ATOM 1271 N MET A 86 65.544 -6.226 6.347 1.00 0.00 N ATOM 1272 CA MET A 86 64.716 -6.321 7.581 1.00 0.00 C ATOM 1273 C MET A 86 63.977 -7.660 7.602 1.00 0.00 C ATOM 1274 O MET A 86 63.606 -8.159 8.645 1.00 0.00 O ATOM 1275 CB MET A 86 63.724 -5.161 7.487 1.00 0.00 C ATOM 1276 CG MET A 86 64.012 -4.151 8.599 1.00 0.00 C ATOM 1277 SD MET A 86 62.512 -3.198 8.947 1.00 0.00 S ATOM 1278 CE MET A 86 63.008 -2.575 10.573 1.00 0.00 C ATOM 0 H MET A 86 65.133 -5.681 5.589 1.00 0.00 H new ATOM 0 HA MET A 86 65.314 -6.266 8.491 1.00 0.00 H new ATOM 0 HB2 MET A 86 63.804 -4.678 6.513 1.00 0.00 H new ATOM 0 HB3 MET A 86 62.703 -5.533 7.575 1.00 0.00 H new ATOM 0 HG2 MET A 86 64.344 -4.669 9.499 1.00 0.00 H new ATOM 0 HG3 MET A 86 64.819 -3.483 8.299 1.00 0.00 H new ATOM 0 HE1 MET A 86 62.127 -2.229 11.114 1.00 0.00 H new ATOM 0 HE2 MET A 86 63.490 -3.373 11.137 1.00 0.00 H new ATOM 0 HE3 MET A 86 63.705 -1.747 10.448 1.00 0.00 H new ATOM 1288 N LYS A 87 63.767 -8.249 6.455 1.00 0.00 N ATOM 1289 CA LYS A 87 63.059 -9.558 6.415 1.00 0.00 C ATOM 1290 C LYS A 87 63.690 -10.511 7.432 1.00 0.00 C ATOM 1291 O LYS A 87 63.052 -11.415 7.932 1.00 0.00 O ATOM 1292 CB LYS A 87 63.259 -10.076 4.990 1.00 0.00 C ATOM 1293 CG LYS A 87 62.054 -9.686 4.131 1.00 0.00 C ATOM 1294 CD LYS A 87 61.124 -10.891 3.982 1.00 0.00 C ATOM 1295 CE LYS A 87 60.933 -11.211 2.498 1.00 0.00 C ATOM 1296 NZ LYS A 87 59.741 -10.421 2.084 1.00 0.00 N ATOM 0 H LYS A 87 64.054 -7.881 5.548 1.00 0.00 H new ATOM 0 HA LYS A 87 62.001 -9.473 6.664 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.172 -9.659 4.565 1.00 0.00 H new ATOM 0 HB3 LYS A 87 63.377 -11.160 4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 87 61.519 -8.855 4.591 1.00 0.00 H new ATOM 0 HG3 LYS A 87 62.387 -9.347 3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 87 61.544 -11.754 4.499 1.00 0.00 H new ATOM 0 HD3 LYS A 87 60.161 -10.679 4.446 1.00 0.00 H new ATOM 0 HE2 LYS A 87 61.812 -10.932 1.918 1.00 0.00 H new ATOM 0 HE3 LYS A 87 60.773 -12.278 2.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 59.547 -10.588 1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 58.918 -10.713 2.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 59.925 -9.409 2.238 1.00 0.00 H new ATOM 1310 N GLU A 88 64.939 -10.303 7.747 1.00 0.00 N ATOM 1311 CA GLU A 88 65.615 -11.183 8.742 1.00 0.00 C ATOM 1312 C GLU A 88 65.510 -10.562 10.136 1.00 0.00 C ATOM 1313 O GLU A 88 65.378 -11.251 11.127 1.00 0.00 O ATOM 1314 CB GLU A 88 67.075 -11.242 8.292 1.00 0.00 C ATOM 1315 CG GLU A 88 67.232 -12.299 7.197 1.00 0.00 C ATOM 1316 CD GLU A 88 68.396 -13.228 7.548 1.00 0.00 C ATOM 1317 OE1 GLU A 88 69.487 -12.726 7.757 1.00 0.00 O ATOM 1318 OE2 GLU A 88 68.175 -14.427 7.602 1.00 0.00 O ATOM 0 H GLU A 88 65.521 -9.561 7.358 1.00 0.00 H new ATOM 0 HA GLU A 88 65.167 -12.175 8.794 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.391 -10.268 7.919 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.718 -11.483 9.139 1.00 0.00 H new ATOM 0 HG2 GLU A 88 66.311 -12.874 7.097 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.414 -11.818 6.236 1.00 0.00 H new ATOM 1325 N ASP A 89 65.565 -9.259 10.215 1.00 0.00 N ATOM 1326 CA ASP A 89 65.466 -8.584 11.539 1.00 0.00 C ATOM 1327 C ASP A 89 63.998 -8.456 11.958 1.00 0.00 C ATOM 1328 O ASP A 89 63.676 -8.424 13.128 1.00 0.00 O ATOM 1329 CB ASP A 89 66.083 -7.203 11.323 1.00 0.00 C ATOM 1330 CG ASP A 89 67.418 -7.118 12.067 1.00 0.00 C ATOM 1331 OD1 ASP A 89 67.523 -7.718 13.124 1.00 0.00 O ATOM 1332 OD2 ASP A 89 68.311 -6.455 11.566 1.00 0.00 O ATOM 0 H ASP A 89 65.674 -8.633 9.417 1.00 0.00 H new ATOM 0 HA ASP A 89 65.974 -9.140 12.327 1.00 0.00 H new ATOM 0 HB2 ASP A 89 66.236 -7.024 10.259 1.00 0.00 H new ATOM 0 HB3 ASP A 89 65.404 -6.430 11.682 1.00 0.00 H new ATOM 1337 N ALA A 90 63.106 -8.382 11.008 1.00 0.00 N ATOM 1338 CA ALA A 90 61.660 -8.254 11.350 1.00 0.00 C ATOM 1339 C ALA A 90 61.101 -9.611 11.790 1.00 0.00 C ATOM 1340 O ALA A 90 60.322 -10.179 11.041 1.00 0.00 O ATOM 1341 CB ALA A 90 60.986 -7.787 10.059 1.00 0.00 C ATOM 1342 OXT ALA A 90 61.461 -10.057 12.866 1.00 0.00 O ATOM 0 H ALA A 90 63.316 -8.405 10.010 1.00 0.00 H new ATOM 0 HA ALA A 90 61.489 -7.558 12.171 1.00 0.00 H new ATOM 0 HB1 ALA A 90 59.916 -7.669 10.229 1.00 0.00 H new ATOM 0 HB2 ALA A 90 61.412 -6.832 9.751 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.149 -8.527 9.275 1.00 0.00 H new