USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 582 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 7 GLN : amide:sc= 0.151 K(o=-0.44,f=-1) USER MOD Set 1.2: A 14 CYS SG : rot -167:sc= -0.593 USER MOD Set 1.3: A 31 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 6 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 44 TYR OH : rot -105:sc= 0.195 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= -3.09! (180deg=-3.23!) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.74 USER MOD Single : A 11 CYS SG : rot 47:sc= 0.275 USER MOD Single : A 12 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.12) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.399 K(o=-0.4,f=-3.1!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.433 X(o=-0.43,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.996 -4.370 0.721 1.00 0.00 N ATOM 2 CA MET A 1 12.757 -3.825 -0.390 1.00 0.00 C ATOM 3 C MET A 1 11.828 -3.257 -1.466 1.00 0.00 C ATOM 4 O MET A 1 12.289 -2.801 -2.511 1.00 0.00 O ATOM 5 CB MET A 1 13.632 -4.923 -0.998 1.00 0.00 C ATOM 6 CG MET A 1 15.097 -4.741 -0.598 1.00 0.00 C ATOM 7 SD MET A 1 16.056 -4.223 -2.012 1.00 0.00 S ATOM 8 CE MET A 1 17.455 -5.320 -1.858 1.00 0.00 C ATOM 0 H1 MET A 1 12.648 -4.779 1.421 1.00 0.00 H new ATOM 0 H2 MET A 1 11.441 -3.612 1.167 1.00 0.00 H new ATOM 0 H3 MET A 1 11.354 -5.110 0.372 1.00 0.00 H new ATOM 0 HA MET A 1 13.383 -3.016 -0.014 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.279 -5.899 -0.666 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.543 -4.904 -2.084 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.176 -3.999 0.197 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.493 -5.676 -0.202 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.158 -5.129 -2.669 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.949 -5.148 -0.902 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.114 -6.354 -1.910 1.00 0.00 H new ATOM 18 N ALA A 2 10.537 -3.305 -1.172 1.00 0.00 N ATOM 19 CA ALA A 2 9.540 -2.802 -2.101 1.00 0.00 C ATOM 20 C ALA A 2 8.783 -1.641 -1.451 1.00 0.00 C ATOM 21 O ALA A 2 9.355 -0.883 -0.670 1.00 0.00 O ATOM 22 CB ALA A 2 8.610 -3.942 -2.520 1.00 0.00 C ATOM 0 H ALA A 2 10.159 -3.684 -0.304 1.00 0.00 H new ATOM 0 HA ALA A 2 10.016 -2.421 -3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.862 -3.564 -3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.192 -4.727 -3.003 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.113 -4.348 -1.639 1.00 0.00 H new ATOM 28 N LEU A 3 7.508 -1.540 -1.798 1.00 0.00 N ATOM 29 CA LEU A 3 6.668 -0.485 -1.257 1.00 0.00 C ATOM 30 C LEU A 3 6.163 -0.899 0.126 1.00 0.00 C ATOM 31 O LEU A 3 6.552 -1.944 0.646 1.00 0.00 O ATOM 32 CB LEU A 3 5.549 -0.135 -2.241 1.00 0.00 C ATOM 33 CG LEU A 3 4.692 -1.306 -2.727 1.00 0.00 C ATOM 34 CD1 LEU A 3 3.270 -1.212 -2.171 1.00 0.00 C ATOM 35 CD2 LEU A 3 4.706 -1.399 -4.254 1.00 0.00 C ATOM 0 H LEU A 3 7.037 -2.171 -2.446 1.00 0.00 H new ATOM 0 HA LEU A 3 7.244 0.431 -1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.894 0.598 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.995 0.348 -3.110 1.00 0.00 H new ATOM 0 HG LEU A 3 5.127 -2.230 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.682 -2.056 -2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.303 -1.232 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.810 -0.281 -2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.089 -2.239 -4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.310 -0.476 -4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.729 -1.548 -4.600 1.00 0.00 H new ATOM 47 N THR A 4 5.303 -0.059 0.683 1.00 0.00 N ATOM 48 CA THR A 4 4.741 -0.325 1.996 1.00 0.00 C ATOM 49 C THR A 4 3.336 0.270 2.105 1.00 0.00 C ATOM 50 O THR A 4 3.097 1.393 1.664 1.00 0.00 O ATOM 51 CB THR A 4 5.713 0.218 3.046 1.00 0.00 C ATOM 52 OG1 THR A 4 6.856 -0.625 2.928 1.00 0.00 O ATOM 53 CG2 THR A 4 5.223 -0.017 4.476 1.00 0.00 C ATOM 0 H THR A 4 4.982 0.806 0.249 1.00 0.00 H new ATOM 0 HA THR A 4 4.622 -1.395 2.165 1.00 0.00 H new ATOM 0 HB THR A 4 5.862 1.286 2.885 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.538 -0.343 3.572 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.950 0.387 5.181 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.264 0.481 4.618 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.106 -1.087 4.649 1.00 0.00 H new ATOM 61 N LEU A 5 2.442 -0.509 2.696 1.00 0.00 N ATOM 62 CA LEU A 5 1.066 -0.074 2.868 1.00 0.00 C ATOM 63 C LEU A 5 0.710 -0.102 4.356 1.00 0.00 C ATOM 64 O LEU A 5 0.486 -1.170 4.924 1.00 0.00 O ATOM 65 CB LEU A 5 0.127 -0.907 1.994 1.00 0.00 C ATOM 66 CG LEU A 5 -1.342 -0.932 2.423 1.00 0.00 C ATOM 67 CD1 LEU A 5 -2.096 0.279 1.869 1.00 0.00 C ATOM 68 CD2 LEU A 5 -2.006 -2.252 2.027 1.00 0.00 C ATOM 0 H LEU A 5 2.644 -1.439 3.062 1.00 0.00 H new ATOM 0 HA LEU A 5 0.946 0.956 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.181 -0.528 0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.496 -1.932 1.973 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.382 -0.865 3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.137 0.237 2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.638 1.195 2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.050 0.269 0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.049 -2.244 2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.956 -2.374 0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.487 -3.080 2.510 1.00 0.00 H new ATOM 80 N TYR A 6 0.667 1.084 4.944 1.00 0.00 N ATOM 81 CA TYR A 6 0.341 1.209 6.355 1.00 0.00 C ATOM 82 C TYR A 6 -1.090 0.744 6.630 1.00 0.00 C ATOM 83 O TYR A 6 -2.004 1.053 5.867 1.00 0.00 O ATOM 84 CB TYR A 6 0.453 2.699 6.683 1.00 0.00 C ATOM 85 CG TYR A 6 1.885 3.238 6.648 1.00 0.00 C ATOM 86 CD1 TYR A 6 2.823 2.764 7.542 1.00 0.00 C ATOM 87 CD2 TYR A 6 2.237 4.199 5.722 1.00 0.00 C ATOM 88 CE1 TYR A 6 4.170 3.272 7.509 1.00 0.00 C ATOM 89 CE2 TYR A 6 3.585 4.706 5.689 1.00 0.00 C ATOM 90 CZ TYR A 6 4.484 4.218 6.584 1.00 0.00 C ATOM 91 OH TYR A 6 5.757 4.697 6.553 1.00 0.00 O ATOM 0 H TYR A 6 0.852 1.968 4.469 1.00 0.00 H new ATOM 0 HA TYR A 6 1.010 0.597 6.960 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.154 3.263 5.975 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.034 2.875 7.674 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.547 2.012 8.266 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.503 4.571 5.023 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.914 2.910 8.203 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.875 5.457 4.969 1.00 0.00 H new ATOM 0 HH TYR A 6 5.838 5.366 5.841 1.00 0.00 H new ATOM 101 N GLN A 7 -1.240 0.009 7.722 1.00 0.00 N ATOM 102 CA GLN A 7 -2.545 -0.502 8.107 1.00 0.00 C ATOM 103 C GLN A 7 -2.686 -0.501 9.631 1.00 0.00 C ATOM 104 O GLN A 7 -1.712 -0.280 10.348 1.00 0.00 O ATOM 105 CB GLN A 7 -2.776 -1.902 7.536 1.00 0.00 C ATOM 106 CG GLN A 7 -1.882 -2.932 8.229 1.00 0.00 C ATOM 107 CD GLN A 7 -2.234 -4.353 7.783 1.00 0.00 C ATOM 108 OE1 GLN A 7 -3.390 -4.735 7.695 1.00 0.00 O ATOM 109 NE2 GLN A 7 -1.177 -5.111 7.508 1.00 0.00 N ATOM 0 H GLN A 7 -0.480 -0.245 8.353 1.00 0.00 H new ATOM 0 HA GLN A 7 -3.309 0.155 7.690 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -3.822 -2.181 7.661 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -2.572 -1.900 6.465 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -0.837 -2.724 8.000 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -1.995 -2.848 9.310 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -0.236 -4.728 7.603 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -1.307 -6.075 7.202 1.00 0.00 H new ATOM 118 N ARG A 8 -3.907 -0.750 10.080 1.00 0.00 N ATOM 119 CA ARG A 8 -4.189 -0.781 11.505 1.00 0.00 C ATOM 120 C ARG A 8 -5.421 -1.645 11.784 1.00 0.00 C ATOM 121 O ARG A 8 -6.088 -2.099 10.856 1.00 0.00 O ATOM 122 CB ARG A 8 -4.429 0.629 12.049 1.00 0.00 C ATOM 123 CG ARG A 8 -4.080 0.708 13.537 1.00 0.00 C ATOM 124 CD ARG A 8 -5.345 0.795 14.393 1.00 0.00 C ATOM 125 NE ARG A 8 -5.098 0.193 15.722 1.00 0.00 N ATOM 126 CZ ARG A 8 -6.045 0.014 16.653 1.00 0.00 C ATOM 127 NH1 ARG A 8 -7.307 0.390 16.406 1.00 0.00 N ATOM 128 NH2 ARG A 8 -5.730 -0.541 17.831 1.00 0.00 N ATOM 0 H ARG A 8 -4.713 -0.932 9.482 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.321 -1.209 12.006 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -3.826 1.346 11.492 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.472 0.907 11.901 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.501 -0.169 13.825 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.451 1.579 13.721 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -5.647 1.836 14.506 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.166 0.278 13.897 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.148 -0.104 15.943 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.547 0.813 15.509 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.028 0.254 17.115 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.769 -0.827 18.019 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.451 -0.677 18.540 1.00 0.00 H new ATOM 142 N ASP A 9 -5.685 -1.846 13.067 1.00 0.00 N ATOM 143 CA ASP A 9 -6.824 -2.647 13.480 1.00 0.00 C ATOM 144 C ASP A 9 -8.024 -2.315 12.591 1.00 0.00 C ATOM 145 O ASP A 9 -8.754 -3.210 12.167 1.00 0.00 O ATOM 146 CB ASP A 9 -7.212 -2.347 14.929 1.00 0.00 C ATOM 147 CG ASP A 9 -8.012 -3.450 15.625 1.00 0.00 C ATOM 148 OD1 ASP A 9 -9.200 -3.602 15.266 1.00 0.00 O ATOM 149 OD2 ASP A 9 -7.419 -4.115 16.502 1.00 0.00 O ATOM 0 H ASP A 9 -5.129 -1.468 13.834 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.548 -3.698 13.391 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.303 -2.161 15.502 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.796 -1.427 14.950 1.00 0.00 H new ATOM 154 N ASP A 10 -8.192 -1.026 12.335 1.00 0.00 N ATOM 155 CA ASP A 10 -9.291 -0.564 11.504 1.00 0.00 C ATOM 156 C ASP A 10 -9.324 -1.380 10.210 1.00 0.00 C ATOM 157 O ASP A 10 -8.381 -1.337 9.421 1.00 0.00 O ATOM 158 CB ASP A 10 -9.118 0.909 11.130 1.00 0.00 C ATOM 159 CG ASP A 10 -10.418 1.655 10.823 1.00 0.00 C ATOM 160 OD1 ASP A 10 -11.476 0.991 10.862 1.00 0.00 O ATOM 161 OD2 ASP A 10 -10.324 2.873 10.555 1.00 0.00 O ATOM 0 H ASP A 10 -7.585 -0.286 12.689 1.00 0.00 H new ATOM 0 HA ASP A 10 -10.215 -0.686 12.069 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.609 1.419 11.948 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.466 0.973 10.259 1.00 0.00 H new ATOM 166 N CYS A 11 -10.419 -2.103 10.032 1.00 0.00 N ATOM 167 CA CYS A 11 -10.587 -2.927 8.847 1.00 0.00 C ATOM 168 C CYS A 11 -11.398 -2.134 7.821 1.00 0.00 C ATOM 169 O CYS A 11 -11.722 -0.969 8.047 1.00 0.00 O ATOM 170 CB CYS A 11 -11.245 -4.269 9.179 1.00 0.00 C ATOM 171 SG CYS A 11 -10.019 -5.395 9.939 1.00 0.00 S ATOM 0 H CYS A 11 -11.199 -2.136 10.688 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.610 -3.169 8.429 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -12.081 -4.115 9.861 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -11.651 -4.718 8.273 1.00 0.00 H new ATOM 0 HG CYS A 11 -9.368 -4.763 10.870 1.00 0.00 H new ATOM 177 N HIS A 12 -11.703 -2.796 6.714 1.00 0.00 N ATOM 178 CA HIS A 12 -12.470 -2.166 5.653 1.00 0.00 C ATOM 179 C HIS A 12 -11.591 -1.152 4.917 1.00 0.00 C ATOM 180 O HIS A 12 -11.273 -1.337 3.744 1.00 0.00 O ATOM 181 CB HIS A 12 -13.755 -1.547 6.205 1.00 0.00 C ATOM 182 CG HIS A 12 -14.521 -2.453 7.139 1.00 0.00 C ATOM 183 ND1 HIS A 12 -14.955 -2.046 8.389 1.00 0.00 N ATOM 184 CD2 HIS A 12 -14.927 -3.747 6.993 1.00 0.00 C ATOM 185 CE1 HIS A 12 -15.591 -3.058 8.960 1.00 0.00 C ATOM 186 NE2 HIS A 12 -15.572 -4.111 8.094 1.00 0.00 N ATOM 0 H HIS A 12 -11.433 -3.762 6.529 1.00 0.00 H new ATOM 0 HA HIS A 12 -12.781 -2.918 4.928 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -13.505 -0.626 6.732 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -14.401 -1.272 5.371 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.753 -4.370 6.128 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -16.045 -3.050 9.940 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -15.986 -5.028 8.264 1.00 0.00 H new ATOM 194 N LEU A 13 -11.224 -0.103 5.638 1.00 0.00 N ATOM 195 CA LEU A 13 -10.389 0.941 5.068 1.00 0.00 C ATOM 196 C LEU A 13 -9.127 0.311 4.476 1.00 0.00 C ATOM 197 O LEU A 13 -8.728 0.643 3.360 1.00 0.00 O ATOM 198 CB LEU A 13 -10.104 2.026 6.108 1.00 0.00 C ATOM 199 CG LEU A 13 -10.190 3.471 5.611 1.00 0.00 C ATOM 200 CD1 LEU A 13 -11.620 3.824 5.196 1.00 0.00 C ATOM 201 CD2 LEU A 13 -9.640 4.444 6.655 1.00 0.00 C ATOM 0 H LEU A 13 -11.489 0.047 6.611 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.909 1.442 4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.806 1.904 6.933 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.105 1.861 6.512 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.564 3.564 4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.653 4.856 4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.941 3.159 4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.286 3.709 6.051 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.713 5.463 6.276 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.219 4.356 7.575 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.596 4.207 6.859 1.00 0.00 H new ATOM 213 N CYS A 14 -8.533 -0.586 5.249 1.00 0.00 N ATOM 214 CA CYS A 14 -7.324 -1.266 4.814 1.00 0.00 C ATOM 215 C CYS A 14 -7.714 -2.329 3.786 1.00 0.00 C ATOM 216 O CYS A 14 -7.068 -2.460 2.747 1.00 0.00 O ATOM 217 CB CYS A 14 -6.557 -1.866 5.994 1.00 0.00 C ATOM 218 SG CYS A 14 -5.158 -2.874 5.383 1.00 0.00 S ATOM 0 H CYS A 14 -8.866 -0.858 6.174 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.646 -0.548 4.352 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.187 -1.070 6.641 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.224 -2.482 6.597 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.689 -3.599 6.354 1.00 0.00 H new ATOM 224 N ASP A 15 -8.768 -3.063 4.111 1.00 0.00 N ATOM 225 CA ASP A 15 -9.252 -4.111 3.229 1.00 0.00 C ATOM 226 C ASP A 15 -9.441 -3.541 1.822 1.00 0.00 C ATOM 227 O ASP A 15 -8.922 -4.090 0.851 1.00 0.00 O ATOM 228 CB ASP A 15 -10.601 -4.652 3.704 1.00 0.00 C ATOM 229 CG ASP A 15 -10.546 -5.500 4.977 1.00 0.00 C ATOM 230 OD1 ASP A 15 -9.471 -5.495 5.616 1.00 0.00 O ATOM 231 OD2 ASP A 15 -11.579 -6.133 5.283 1.00 0.00 O ATOM 0 H ASP A 15 -9.301 -2.952 4.974 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.519 -4.918 3.231 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.273 -3.811 3.875 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.037 -5.251 2.905 1.00 0.00 H new ATOM 236 N GLN A 16 -10.184 -2.446 1.757 1.00 0.00 N ATOM 237 CA GLN A 16 -10.448 -1.795 0.484 1.00 0.00 C ATOM 238 C GLN A 16 -9.136 -1.363 -0.173 1.00 0.00 C ATOM 239 O GLN A 16 -9.042 -1.299 -1.397 1.00 0.00 O ATOM 240 CB GLN A 16 -11.390 -0.603 0.663 1.00 0.00 C ATOM 241 CG GLN A 16 -12.844 -1.012 0.417 1.00 0.00 C ATOM 242 CD GLN A 16 -13.676 0.181 -0.058 1.00 0.00 C ATOM 243 OE1 GLN A 16 -14.138 0.239 -1.186 1.00 0.00 O ATOM 244 NE2 GLN A 16 -13.840 1.127 0.862 1.00 0.00 N ATOM 0 H GLN A 16 -10.612 -1.993 2.565 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.942 -2.511 -0.173 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.287 -0.202 1.671 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.111 0.193 -0.027 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.881 -1.806 -0.329 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.272 -1.416 1.334 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.426 1.015 1.788 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.380 1.964 0.642 1.00 0.00 H new ATOM 253 N ALA A 17 -8.155 -1.076 0.671 1.00 0.00 N ATOM 254 CA ALA A 17 -6.852 -0.652 0.187 1.00 0.00 C ATOM 255 C ALA A 17 -6.154 -1.833 -0.489 1.00 0.00 C ATOM 256 O ALA A 17 -5.671 -1.712 -1.614 1.00 0.00 O ATOM 257 CB ALA A 17 -6.037 -0.081 1.350 1.00 0.00 C ATOM 0 H ALA A 17 -8.237 -1.129 1.686 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.957 0.138 -0.557 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.059 0.237 0.988 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.562 0.774 1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.909 -0.847 2.115 1.00 0.00 H new ATOM 263 N VAL A 18 -6.124 -2.949 0.224 1.00 0.00 N ATOM 264 CA VAL A 18 -5.494 -4.152 -0.294 1.00 0.00 C ATOM 265 C VAL A 18 -6.214 -4.591 -1.570 1.00 0.00 C ATOM 266 O VAL A 18 -5.577 -5.032 -2.526 1.00 0.00 O ATOM 267 CB VAL A 18 -5.472 -5.237 0.785 1.00 0.00 C ATOM 268 CG1 VAL A 18 -4.984 -6.569 0.212 1.00 0.00 C ATOM 269 CG2 VAL A 18 -4.617 -4.807 1.978 1.00 0.00 C ATOM 0 H VAL A 18 -6.526 -3.046 1.156 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.455 -3.956 -0.559 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.493 -5.378 1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.978 -7.323 0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.651 -6.886 -0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.975 -6.448 -0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.619 -5.596 2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.595 -4.624 1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.027 -3.894 2.409 1.00 0.00 H new ATOM 279 N GLU A 19 -7.532 -4.456 -1.544 1.00 0.00 N ATOM 280 CA GLU A 19 -8.345 -4.833 -2.687 1.00 0.00 C ATOM 281 C GLU A 19 -7.885 -4.081 -3.938 1.00 0.00 C ATOM 282 O GLU A 19 -7.644 -4.690 -4.979 1.00 0.00 O ATOM 283 CB GLU A 19 -9.829 -4.582 -2.411 1.00 0.00 C ATOM 284 CG GLU A 19 -10.673 -5.796 -2.806 1.00 0.00 C ATOM 285 CD GLU A 19 -11.434 -5.535 -4.108 1.00 0.00 C ATOM 286 OE1 GLU A 19 -10.841 -5.803 -5.175 1.00 0.00 O ATOM 287 OE2 GLU A 19 -12.590 -5.072 -4.006 1.00 0.00 O ATOM 0 H GLU A 19 -8.057 -4.091 -0.749 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.217 -5.901 -2.862 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.974 -4.363 -1.353 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.163 -3.706 -2.967 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.029 -6.668 -2.925 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.379 -6.028 -2.008 1.00 0.00 H new ATOM 294 N ALA A 20 -7.778 -2.768 -3.794 1.00 0.00 N ATOM 295 CA ALA A 20 -7.351 -1.927 -4.899 1.00 0.00 C ATOM 296 C ALA A 20 -5.976 -2.389 -5.385 1.00 0.00 C ATOM 297 O ALA A 20 -5.707 -2.393 -6.586 1.00 0.00 O ATOM 298 CB ALA A 20 -7.350 -0.463 -4.454 1.00 0.00 C ATOM 0 H ALA A 20 -7.980 -2.266 -2.929 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.043 -2.014 -5.737 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.030 0.169 -5.282 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.355 -0.176 -4.146 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.664 -0.338 -3.616 1.00 0.00 H new ATOM 304 N LEU A 21 -5.142 -2.769 -4.428 1.00 0.00 N ATOM 305 CA LEU A 21 -3.802 -3.232 -4.744 1.00 0.00 C ATOM 306 C LEU A 21 -3.893 -4.472 -5.637 1.00 0.00 C ATOM 307 O LEU A 21 -3.339 -4.492 -6.735 1.00 0.00 O ATOM 308 CB LEU A 21 -2.996 -3.455 -3.463 1.00 0.00 C ATOM 309 CG LEU A 21 -1.945 -2.391 -3.138 1.00 0.00 C ATOM 310 CD1 LEU A 21 -1.951 -2.053 -1.646 1.00 0.00 C ATOM 311 CD2 LEU A 21 -0.560 -2.822 -3.623 1.00 0.00 C ATOM 0 H LEU A 21 -5.369 -2.766 -3.434 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.259 -2.472 -5.306 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.691 -3.518 -2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.496 -4.421 -3.535 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.204 -1.479 -3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.195 -1.295 -1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.932 -1.673 -1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.730 -2.951 -1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.168 -2.048 -3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.277 -3.754 -3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.583 -2.972 -4.702 1.00 0.00 H new ATOM 323 N ALA A 22 -4.596 -5.475 -5.132 1.00 0.00 N ATOM 324 CA ALA A 22 -4.766 -6.715 -5.870 1.00 0.00 C ATOM 325 C ALA A 22 -5.345 -6.406 -7.252 1.00 0.00 C ATOM 326 O ALA A 22 -4.862 -6.918 -8.260 1.00 0.00 O ATOM 327 CB ALA A 22 -5.652 -7.669 -5.066 1.00 0.00 C ATOM 0 H ALA A 22 -5.054 -5.454 -4.221 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.806 -7.209 -6.019 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.780 -8.600 -5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.182 -7.879 -4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.626 -7.208 -4.900 1.00 0.00 H new ATOM 333 N GLN A 23 -6.373 -5.569 -7.254 1.00 0.00 N ATOM 334 CA GLN A 23 -7.023 -5.185 -8.495 1.00 0.00 C ATOM 335 C GLN A 23 -6.008 -4.561 -9.455 1.00 0.00 C ATOM 336 O GLN A 23 -6.017 -4.854 -10.650 1.00 0.00 O ATOM 337 CB GLN A 23 -8.188 -4.229 -8.231 1.00 0.00 C ATOM 338 CG GLN A 23 -9.455 -5.000 -7.855 1.00 0.00 C ATOM 339 CD GLN A 23 -10.646 -4.543 -8.700 1.00 0.00 C ATOM 340 OE1 GLN A 23 -10.535 -3.692 -9.567 1.00 0.00 O ATOM 341 NE2 GLN A 23 -11.788 -5.154 -8.400 1.00 0.00 N ATOM 0 H GLN A 23 -6.771 -5.146 -6.415 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.431 -6.082 -8.961 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.924 -3.542 -7.427 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.376 -3.625 -9.119 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.291 -6.068 -7.999 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.676 -4.851 -6.798 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.811 -5.858 -7.662 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.641 -4.919 -8.908 1.00 0.00 H new ATOM 350 N ALA A 24 -5.158 -3.712 -8.897 1.00 0.00 N ATOM 351 CA ALA A 24 -4.139 -3.044 -9.688 1.00 0.00 C ATOM 352 C ALA A 24 -3.003 -4.025 -9.982 1.00 0.00 C ATOM 353 O ALA A 24 -2.042 -3.681 -10.669 1.00 0.00 O ATOM 354 CB ALA A 24 -3.654 -1.796 -8.948 1.00 0.00 C ATOM 0 H ALA A 24 -5.154 -3.471 -7.906 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.549 -2.718 -10.644 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.889 -1.295 -9.542 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.493 -1.118 -8.790 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.234 -2.085 -7.985 1.00 0.00 H new ATOM 360 N ARG A 25 -3.150 -5.229 -9.447 1.00 0.00 N ATOM 361 CA ARG A 25 -2.148 -6.262 -9.643 1.00 0.00 C ATOM 362 C ARG A 25 -0.756 -5.725 -9.302 1.00 0.00 C ATOM 363 O ARG A 25 0.217 -6.030 -9.989 1.00 0.00 O ATOM 364 CB ARG A 25 -2.152 -6.766 -11.088 1.00 0.00 C ATOM 365 CG ARG A 25 -3.049 -7.997 -11.237 1.00 0.00 C ATOM 366 CD ARG A 25 -2.299 -9.142 -11.921 1.00 0.00 C ATOM 367 NE ARG A 25 -3.264 -10.109 -12.491 1.00 0.00 N ATOM 368 CZ ARG A 25 -3.977 -10.978 -11.761 1.00 0.00 C ATOM 369 NH1 ARG A 25 -3.838 -11.006 -10.428 1.00 0.00 N ATOM 370 NH2 ARG A 25 -4.829 -11.818 -12.364 1.00 0.00 N ATOM 0 H ARG A 25 -3.948 -5.511 -8.878 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.394 -7.091 -8.979 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.501 -5.975 -11.752 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.135 -7.013 -11.393 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.396 -8.320 -10.255 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.934 -7.738 -11.818 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.657 -8.748 -12.709 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.650 -9.643 -11.203 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.395 -10.114 -13.503 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.190 -10.366 -9.969 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.381 -11.667 -9.872 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.935 -11.796 -13.378 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.372 -12.479 -11.809 1.00 0.00 H new ATOM 384 N ALA A 26 -0.707 -4.933 -8.241 1.00 0.00 N ATOM 385 CA ALA A 26 0.549 -4.350 -7.800 1.00 0.00 C ATOM 386 C ALA A 26 1.620 -5.441 -7.742 1.00 0.00 C ATOM 387 O ALA A 26 2.566 -5.430 -8.529 1.00 0.00 O ATOM 388 CB ALA A 26 0.346 -3.660 -6.450 1.00 0.00 C ATOM 0 H ALA A 26 -1.517 -4.681 -7.674 1.00 0.00 H new ATOM 0 HA ALA A 26 0.889 -3.592 -8.506 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.288 -3.223 -6.119 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.403 -2.874 -6.552 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.008 -4.391 -5.715 1.00 0.00 H new ATOM 394 N GLY A 27 1.436 -6.357 -6.802 1.00 0.00 N ATOM 395 CA GLY A 27 2.375 -7.453 -6.631 1.00 0.00 C ATOM 396 C GLY A 27 2.709 -7.662 -5.153 1.00 0.00 C ATOM 397 O GLY A 27 1.820 -7.652 -4.304 1.00 0.00 O ATOM 0 H GLY A 27 0.651 -6.363 -6.151 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.951 -8.368 -7.045 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.288 -7.245 -7.188 1.00 0.00 H new ATOM 401 N ALA A 28 3.995 -7.848 -4.891 1.00 0.00 N ATOM 402 CA ALA A 28 4.458 -8.060 -3.530 1.00 0.00 C ATOM 403 C ALA A 28 4.849 -6.715 -2.914 1.00 0.00 C ATOM 404 O ALA A 28 5.205 -5.780 -3.630 1.00 0.00 O ATOM 405 CB ALA A 28 5.617 -9.058 -3.535 1.00 0.00 C ATOM 0 H ALA A 28 4.730 -7.856 -5.598 1.00 0.00 H new ATOM 0 HA ALA A 28 3.664 -8.486 -2.916 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.964 -9.217 -2.514 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.280 -10.005 -3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.434 -8.664 -4.139 1.00 0.00 H new ATOM 411 N PHE A 29 4.770 -6.660 -1.593 1.00 0.00 N ATOM 412 CA PHE A 29 5.111 -5.445 -0.872 1.00 0.00 C ATOM 413 C PHE A 29 5.264 -5.721 0.625 1.00 0.00 C ATOM 414 O PHE A 29 5.254 -6.874 1.052 1.00 0.00 O ATOM 415 CB PHE A 29 3.959 -4.462 -1.082 1.00 0.00 C ATOM 416 CG PHE A 29 2.587 -5.018 -0.695 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.205 -5.037 0.610 1.00 0.00 C ATOM 418 CD2 PHE A 29 1.750 -5.494 -1.656 1.00 0.00 C ATOM 419 CE1 PHE A 29 0.932 -5.553 0.969 1.00 0.00 C ATOM 420 CE2 PHE A 29 0.478 -6.010 -1.297 1.00 0.00 C ATOM 421 CZ PHE A 29 0.095 -6.029 0.008 1.00 0.00 C ATOM 0 H PHE A 29 4.475 -7.437 -1.002 1.00 0.00 H new ATOM 0 HA PHE A 29 6.057 -5.047 -1.240 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.152 -3.562 -0.499 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.936 -4.164 -2.130 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.870 -4.660 1.373 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.054 -5.479 -2.692 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.628 -5.568 2.005 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.186 -6.388 -2.060 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.873 -6.422 0.281 1.00 0.00 H new ATOM 431 N PHE A 30 5.403 -4.642 1.382 1.00 0.00 N ATOM 432 CA PHE A 30 5.558 -4.752 2.822 1.00 0.00 C ATOM 433 C PHE A 30 4.379 -4.104 3.552 1.00 0.00 C ATOM 434 O PHE A 30 3.741 -3.196 3.022 1.00 0.00 O ATOM 435 CB PHE A 30 6.843 -4.009 3.192 1.00 0.00 C ATOM 436 CG PHE A 30 8.124 -4.740 2.785 1.00 0.00 C ATOM 437 CD1 PHE A 30 8.374 -4.994 1.473 1.00 0.00 C ATOM 438 CD2 PHE A 30 9.013 -5.135 3.736 1.00 0.00 C ATOM 439 CE1 PHE A 30 9.563 -5.672 1.096 1.00 0.00 C ATOM 440 CE2 PHE A 30 10.202 -5.813 3.359 1.00 0.00 C ATOM 441 CZ PHE A 30 10.452 -6.067 2.046 1.00 0.00 C ATOM 0 H PHE A 30 5.411 -3.687 1.024 1.00 0.00 H new ATOM 0 HA PHE A 30 5.597 -5.802 3.113 1.00 0.00 H new ATOM 0 HB2 PHE A 30 6.832 -3.027 2.719 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.858 -3.844 4.269 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.668 -4.680 0.718 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.814 -4.933 4.778 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.762 -5.874 0.054 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.908 -6.127 4.114 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.356 -6.582 1.758 1.00 0.00 H new ATOM 451 N SER A 31 4.127 -4.597 4.756 1.00 0.00 N ATOM 452 CA SER A 31 3.037 -4.077 5.563 1.00 0.00 C ATOM 453 C SER A 31 3.567 -3.613 6.921 1.00 0.00 C ATOM 454 O SER A 31 4.425 -4.266 7.513 1.00 0.00 O ATOM 455 CB SER A 31 1.941 -5.128 5.752 1.00 0.00 C ATOM 456 OG SER A 31 0.752 -4.793 5.043 1.00 0.00 O ATOM 0 H SER A 31 4.659 -5.351 5.192 1.00 0.00 H new ATOM 0 HA SER A 31 2.600 -3.226 5.040 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.305 -6.097 5.411 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.714 -5.228 6.813 1.00 0.00 H new ATOM 0 HG SER A 31 0.078 -5.489 5.188 1.00 0.00 H new ATOM 462 N VAL A 32 3.033 -2.489 7.376 1.00 0.00 N ATOM 463 CA VAL A 32 3.442 -1.930 8.653 1.00 0.00 C ATOM 464 C VAL A 32 2.198 -1.545 9.458 1.00 0.00 C ATOM 465 O VAL A 32 1.248 -0.988 8.910 1.00 0.00 O ATOM 466 CB VAL A 32 4.396 -0.755 8.429 1.00 0.00 C ATOM 467 CG1 VAL A 32 4.784 -0.103 9.758 1.00 0.00 C ATOM 468 CG2 VAL A 32 5.638 -1.197 7.652 1.00 0.00 C ATOM 0 H VAL A 32 2.321 -1.950 6.883 1.00 0.00 H new ATOM 0 HA VAL A 32 3.991 -2.670 9.236 1.00 0.00 H new ATOM 0 HB VAL A 32 3.874 -0.009 7.830 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.463 0.729 9.571 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.888 0.265 10.258 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.278 -0.838 10.393 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.299 -0.343 7.506 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.162 -1.970 8.213 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.338 -1.593 6.682 1.00 0.00 H new ATOM 478 N PHE A 33 2.245 -1.857 10.745 1.00 0.00 N ATOM 479 CA PHE A 33 1.134 -1.550 11.630 1.00 0.00 C ATOM 480 C PHE A 33 1.430 -0.307 12.471 1.00 0.00 C ATOM 481 O PHE A 33 2.363 -0.304 13.273 1.00 0.00 O ATOM 482 CB PHE A 33 0.960 -2.752 12.561 1.00 0.00 C ATOM 483 CG PHE A 33 1.014 -4.105 11.847 1.00 0.00 C ATOM 484 CD1 PHE A 33 -0.107 -4.614 11.269 1.00 0.00 C ATOM 485 CD2 PHE A 33 2.183 -4.798 11.792 1.00 0.00 C ATOM 486 CE1 PHE A 33 -0.057 -5.869 10.607 1.00 0.00 C ATOM 487 CE2 PHE A 33 2.233 -6.053 11.130 1.00 0.00 C ATOM 488 CZ PHE A 33 1.112 -6.562 10.552 1.00 0.00 C ATOM 0 H PHE A 33 3.035 -2.319 11.196 1.00 0.00 H new ATOM 0 HA PHE A 33 0.235 -1.354 11.045 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.738 -2.724 13.323 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.004 -2.663 13.078 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.035 -4.064 11.314 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.073 -4.394 12.252 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.947 -6.273 10.147 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.161 -6.603 11.085 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.150 -7.517 10.049 1.00 0.00 H new ATOM 498 N ILE A 34 0.619 0.718 12.260 1.00 0.00 N ATOM 499 CA ILE A 34 0.782 1.964 12.989 1.00 0.00 C ATOM 500 C ILE A 34 0.376 1.753 14.448 1.00 0.00 C ATOM 501 O ILE A 34 0.664 2.589 15.304 1.00 0.00 O ATOM 502 CB ILE A 34 0.019 3.095 12.295 1.00 0.00 C ATOM 503 CG1 ILE A 34 -1.487 2.966 12.533 1.00 0.00 C ATOM 504 CG2 ILE A 34 0.361 3.154 10.805 1.00 0.00 C ATOM 505 CD1 ILE A 34 -2.163 4.338 12.528 1.00 0.00 C ATOM 0 H ILE A 34 -0.154 0.712 11.594 1.00 0.00 H new ATOM 0 HA ILE A 34 1.828 2.271 12.990 1.00 0.00 H new ATOM 0 HB ILE A 34 0.335 4.041 12.735 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.928 2.337 11.760 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.667 2.472 13.488 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.195 3.966 10.336 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.430 3.328 10.684 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.091 2.210 10.332 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.233 4.217 12.699 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.737 4.957 13.318 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.002 4.819 11.563 1.00 0.00 H new ATOM 517 N ASP A 35 -0.287 0.632 14.689 1.00 0.00 N ATOM 518 CA ASP A 35 -0.736 0.300 16.030 1.00 0.00 C ATOM 519 C ASP A 35 0.411 0.526 17.017 1.00 0.00 C ATOM 520 O ASP A 35 1.570 0.622 16.617 1.00 0.00 O ATOM 521 CB ASP A 35 -1.157 -1.168 16.123 1.00 0.00 C ATOM 522 CG ASP A 35 -0.005 -2.162 16.281 1.00 0.00 C ATOM 523 OD1 ASP A 35 0.647 -2.111 17.346 1.00 0.00 O ATOM 524 OD2 ASP A 35 0.197 -2.951 15.333 1.00 0.00 O ATOM 0 H ASP A 35 -0.524 -0.059 13.977 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.590 0.935 16.267 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.835 -1.283 16.969 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.720 -1.427 15.226 1.00 0.00 H new ATOM 529 N ASP A 36 0.047 0.605 18.289 1.00 0.00 N ATOM 530 CA ASP A 36 1.031 0.819 19.337 1.00 0.00 C ATOM 531 C ASP A 36 1.988 1.935 18.912 1.00 0.00 C ATOM 532 O ASP A 36 3.205 1.763 18.951 1.00 0.00 O ATOM 533 CB ASP A 36 1.859 -0.445 19.581 1.00 0.00 C ATOM 534 CG ASP A 36 2.396 -0.601 21.005 1.00 0.00 C ATOM 535 OD1 ASP A 36 1.897 0.135 21.884 1.00 0.00 O ATOM 536 OD2 ASP A 36 3.295 -1.451 21.182 1.00 0.00 O ATOM 0 H ASP A 36 -0.915 0.525 18.617 1.00 0.00 H new ATOM 0 HA ASP A 36 0.499 1.084 20.250 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.246 -1.314 19.343 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.701 -0.449 18.889 1.00 0.00 H new ATOM 541 N ASP A 37 1.401 3.055 18.517 1.00 0.00 N ATOM 542 CA ASP A 37 2.185 4.200 18.087 1.00 0.00 C ATOM 543 C ASP A 37 1.256 5.395 17.865 1.00 0.00 C ATOM 544 O ASP A 37 0.627 5.511 16.814 1.00 0.00 O ATOM 545 CB ASP A 37 2.904 3.909 16.768 1.00 0.00 C ATOM 546 CG ASP A 37 4.335 4.444 16.680 1.00 0.00 C ATOM 547 OD1 ASP A 37 4.501 5.662 16.907 1.00 0.00 O ATOM 548 OD2 ASP A 37 5.231 3.622 16.389 1.00 0.00 O ATOM 0 H ASP A 37 0.391 3.194 18.486 1.00 0.00 H new ATOM 0 HA ASP A 37 2.922 4.415 18.861 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.925 2.830 16.613 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.321 4.336 15.952 1.00 0.00 H new ATOM 553 N ALA A 38 1.199 6.254 18.872 1.00 0.00 N ATOM 554 CA ALA A 38 0.358 7.437 18.801 1.00 0.00 C ATOM 555 C ALA A 38 0.929 8.401 17.760 1.00 0.00 C ATOM 556 O ALA A 38 0.179 9.096 17.075 1.00 0.00 O ATOM 557 CB ALA A 38 0.252 8.073 20.188 1.00 0.00 C ATOM 0 H ALA A 38 1.722 6.154 19.742 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.651 7.172 18.487 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.379 8.960 20.134 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.186 7.358 20.884 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.246 8.355 20.536 1.00 0.00 H new ATOM 563 N ALA A 39 2.251 8.413 17.672 1.00 0.00 N ATOM 564 CA ALA A 39 2.931 9.281 16.726 1.00 0.00 C ATOM 565 C ALA A 39 2.430 8.978 15.312 1.00 0.00 C ATOM 566 O ALA A 39 2.057 9.888 14.574 1.00 0.00 O ATOM 567 CB ALA A 39 4.444 9.098 16.861 1.00 0.00 C ATOM 0 H ALA A 39 2.870 7.835 18.241 1.00 0.00 H new ATOM 0 HA ALA A 39 2.710 10.327 16.937 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.954 9.749 16.151 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.752 9.354 17.875 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.705 8.060 16.653 1.00 0.00 H new ATOM 573 N LEU A 40 2.438 7.696 14.978 1.00 0.00 N ATOM 574 CA LEU A 40 1.990 7.262 13.666 1.00 0.00 C ATOM 575 C LEU A 40 0.489 7.523 13.532 1.00 0.00 C ATOM 576 O LEU A 40 0.017 7.930 12.471 1.00 0.00 O ATOM 577 CB LEU A 40 2.385 5.804 13.420 1.00 0.00 C ATOM 578 CG LEU A 40 3.880 5.490 13.504 1.00 0.00 C ATOM 579 CD1 LEU A 40 4.125 3.980 13.489 1.00 0.00 C ATOM 580 CD2 LEU A 40 4.654 6.208 12.397 1.00 0.00 C ATOM 0 H LEU A 40 2.748 6.944 15.593 1.00 0.00 H new ATOM 0 HA LEU A 40 2.485 7.839 12.885 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.862 5.180 14.144 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.028 5.514 12.432 1.00 0.00 H new ATOM 0 HG LEU A 40 4.255 5.867 14.455 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.196 3.784 13.550 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.623 3.522 14.341 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.731 3.557 12.565 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.714 5.968 12.480 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.283 5.884 11.425 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.517 7.285 12.497 1.00 0.00 H new ATOM 592 N GLU A 41 -0.222 7.279 14.624 1.00 0.00 N ATOM 593 CA GLU A 41 -1.660 7.483 14.642 1.00 0.00 C ATOM 594 C GLU A 41 -1.991 8.951 14.368 1.00 0.00 C ATOM 595 O GLU A 41 -2.888 9.253 13.581 1.00 0.00 O ATOM 596 CB GLU A 41 -2.262 7.024 15.972 1.00 0.00 C ATOM 597 CG GLU A 41 -2.380 5.500 16.024 1.00 0.00 C ATOM 598 CD GLU A 41 -3.766 5.041 15.568 1.00 0.00 C ATOM 599 OE1 GLU A 41 -4.316 5.708 14.665 1.00 0.00 O ATOM 600 OE2 GLU A 41 -4.245 4.034 16.132 1.00 0.00 O ATOM 0 H GLU A 41 0.172 6.942 15.502 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.103 6.877 13.852 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.640 7.372 16.796 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.246 7.473 16.104 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.617 5.051 15.388 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.194 5.152 17.040 1.00 0.00 H new ATOM 607 N SER A 42 -1.250 9.826 15.032 1.00 0.00 N ATOM 608 CA SER A 42 -1.454 11.256 14.870 1.00 0.00 C ATOM 609 C SER A 42 -0.927 11.708 13.507 1.00 0.00 C ATOM 610 O SER A 42 -1.427 12.674 12.933 1.00 0.00 O ATOM 611 CB SER A 42 -0.770 12.040 15.991 1.00 0.00 C ATOM 612 OG SER A 42 -1.670 12.930 16.646 1.00 0.00 O ATOM 0 H SER A 42 -0.507 9.572 15.683 1.00 0.00 H new ATOM 0 HA SER A 42 -2.524 11.458 14.924 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.355 11.343 16.719 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.065 12.607 15.580 1.00 0.00 H new ATOM 0 HG SER A 42 -1.196 13.411 17.356 1.00 0.00 H new ATOM 618 N ALA A 43 0.077 10.988 13.028 1.00 0.00 N ATOM 619 CA ALA A 43 0.677 11.303 11.743 1.00 0.00 C ATOM 620 C ALA A 43 -0.251 10.833 10.621 1.00 0.00 C ATOM 621 O ALA A 43 -0.468 11.552 9.648 1.00 0.00 O ATOM 622 CB ALA A 43 2.065 10.664 11.657 1.00 0.00 C ATOM 0 H ALA A 43 0.490 10.188 13.507 1.00 0.00 H new ATOM 0 HA ALA A 43 0.806 12.380 11.634 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.515 10.900 10.693 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.695 11.053 12.457 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.975 9.583 11.760 1.00 0.00 H new ATOM 628 N TYR A 44 -0.775 9.628 10.796 1.00 0.00 N ATOM 629 CA TYR A 44 -1.675 9.054 9.811 1.00 0.00 C ATOM 630 C TYR A 44 -3.095 8.936 10.368 1.00 0.00 C ATOM 631 O TYR A 44 -4.016 9.584 9.873 1.00 0.00 O ATOM 632 CB TYR A 44 -1.138 7.652 9.515 1.00 0.00 C ATOM 633 CG TYR A 44 0.297 7.634 8.986 1.00 0.00 C ATOM 634 CD1 TYR A 44 0.618 8.330 7.838 1.00 0.00 C ATOM 635 CD2 TYR A 44 1.271 6.922 9.656 1.00 0.00 C ATOM 636 CE1 TYR A 44 1.969 8.314 7.339 1.00 0.00 C ATOM 637 CE2 TYR A 44 2.622 6.906 9.157 1.00 0.00 C ATOM 638 CZ TYR A 44 2.904 7.602 8.024 1.00 0.00 C ATOM 639 OH TYR A 44 4.180 7.586 7.553 1.00 0.00 O ATOM 0 H TYR A 44 -0.593 9.034 11.605 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.719 9.681 8.921 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.186 7.056 10.426 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.789 7.171 8.785 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.144 8.887 7.314 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.020 6.377 10.554 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.233 8.855 6.442 1.00 0.00 H new ATOM 0 HE2 TYR A 44 3.394 6.353 9.672 1.00 0.00 H new ATOM 0 HH TYR A 44 4.361 6.722 7.127 1.00 0.00 H new ATOM 649 N GLY A 45 -3.228 8.104 11.391 1.00 0.00 N ATOM 650 CA GLY A 45 -4.520 7.893 12.021 1.00 0.00 C ATOM 651 C GLY A 45 -5.580 7.516 10.985 1.00 0.00 C ATOM 652 O GLY A 45 -5.791 6.336 10.709 1.00 0.00 O ATOM 0 H GLY A 45 -2.462 7.568 11.799 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.440 7.103 12.768 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.825 8.798 12.546 1.00 0.00 H new ATOM 656 N LEU A 46 -6.219 8.541 10.440 1.00 0.00 N ATOM 657 CA LEU A 46 -7.253 8.331 9.440 1.00 0.00 C ATOM 658 C LEU A 46 -6.602 7.917 8.119 1.00 0.00 C ATOM 659 O LEU A 46 -7.209 7.205 7.320 1.00 0.00 O ATOM 660 CB LEU A 46 -8.145 9.569 9.324 1.00 0.00 C ATOM 661 CG LEU A 46 -9.641 9.340 9.543 1.00 0.00 C ATOM 662 CD1 LEU A 46 -10.206 8.370 8.503 1.00 0.00 C ATOM 663 CD2 LEU A 46 -9.921 8.874 10.973 1.00 0.00 C ATOM 0 H LEU A 46 -6.041 9.518 10.672 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.913 7.517 9.740 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.801 10.309 10.047 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.005 10.002 8.333 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.155 10.292 9.408 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.271 8.225 8.682 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.058 8.781 7.504 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.691 7.412 8.581 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.992 8.719 11.102 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.393 7.939 11.161 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.577 9.632 11.677 1.00 0.00 H new ATOM 675 N ARG A 47 -5.375 8.379 7.930 1.00 0.00 N ATOM 676 CA ARG A 47 -4.635 8.065 6.719 1.00 0.00 C ATOM 677 C ARG A 47 -3.808 6.793 6.918 1.00 0.00 C ATOM 678 O ARG A 47 -2.713 6.668 6.370 1.00 0.00 O ATOM 679 CB ARG A 47 -3.704 9.215 6.329 1.00 0.00 C ATOM 680 CG ARG A 47 -4.503 10.426 5.841 1.00 0.00 C ATOM 681 CD ARG A 47 -4.310 11.622 6.775 1.00 0.00 C ATOM 682 NE ARG A 47 -4.466 12.885 6.020 1.00 0.00 N ATOM 683 CZ ARG A 47 -4.286 14.103 6.547 1.00 0.00 C ATOM 684 NH1 ARG A 47 -3.942 14.231 7.836 1.00 0.00 N ATOM 685 NH2 ARG A 47 -4.449 15.194 5.786 1.00 0.00 N ATOM 0 H ARG A 47 -4.874 8.968 8.595 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.358 7.911 5.918 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.093 9.499 7.186 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.021 8.885 5.546 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.187 10.693 4.833 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.561 10.170 5.786 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.037 11.581 7.586 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.321 11.581 7.231 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.727 12.824 5.036 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.817 13.401 8.415 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.805 15.159 8.238 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.710 15.097 4.805 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.312 16.121 6.188 1.00 0.00 H new ATOM 699 N VAL A 48 -4.363 5.881 7.703 1.00 0.00 N ATOM 700 CA VAL A 48 -3.690 4.624 7.980 1.00 0.00 C ATOM 701 C VAL A 48 -3.421 3.893 6.663 1.00 0.00 C ATOM 702 O VAL A 48 -2.300 3.455 6.410 1.00 0.00 O ATOM 703 CB VAL A 48 -4.516 3.795 8.966 1.00 0.00 C ATOM 704 CG1 VAL A 48 -4.524 2.318 8.568 1.00 0.00 C ATOM 705 CG2 VAL A 48 -4.004 3.974 10.397 1.00 0.00 C ATOM 0 H VAL A 48 -5.271 5.988 8.156 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.725 4.804 8.455 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.543 4.158 8.930 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.118 1.751 9.285 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.957 2.212 7.573 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.503 1.937 8.562 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.608 3.374 11.077 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.964 3.651 10.455 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.074 5.024 10.680 1.00 0.00 H new ATOM 715 N PRO A 49 -4.496 3.781 5.838 1.00 0.00 N ATOM 716 CA PRO A 49 -4.387 3.110 4.553 1.00 0.00 C ATOM 717 C PRO A 49 -3.655 3.989 3.537 1.00 0.00 C ATOM 718 O PRO A 49 -4.236 4.399 2.534 1.00 0.00 O ATOM 719 CB PRO A 49 -5.819 2.801 4.148 1.00 0.00 C ATOM 720 CG PRO A 49 -6.696 3.715 4.988 1.00 0.00 C ATOM 721 CD PRO A 49 -5.839 4.287 6.105 1.00 0.00 C ATOM 0 HA PRO A 49 -3.796 2.196 4.604 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.972 2.983 3.084 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.059 1.754 4.330 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.109 4.516 4.375 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.540 3.161 5.400 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.860 5.377 6.101 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.196 3.965 7.083 1.00 0.00 H new ATOM 729 N VAL A 50 -2.390 4.251 3.832 1.00 0.00 N ATOM 730 CA VAL A 50 -1.572 5.074 2.956 1.00 0.00 C ATOM 731 C VAL A 50 -0.542 4.190 2.249 1.00 0.00 C ATOM 732 O VAL A 50 0.156 3.409 2.893 1.00 0.00 O ATOM 733 CB VAL A 50 -0.935 6.214 3.754 1.00 0.00 C ATOM 734 CG1 VAL A 50 0.407 6.626 3.144 1.00 0.00 C ATOM 735 CG2 VAL A 50 -1.883 7.411 3.852 1.00 0.00 C ATOM 0 H VAL A 50 -1.911 3.908 4.665 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.186 5.539 2.184 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.747 5.852 4.765 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.839 7.438 3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.086 5.773 3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.253 6.961 2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.406 8.207 4.424 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.116 7.773 2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.803 7.107 4.351 1.00 0.00 H new ATOM 745 N LEU A 51 -0.481 4.344 0.935 1.00 0.00 N ATOM 746 CA LEU A 51 0.452 3.570 0.133 1.00 0.00 C ATOM 747 C LEU A 51 1.715 4.398 -0.113 1.00 0.00 C ATOM 748 O LEU A 51 1.642 5.503 -0.649 1.00 0.00 O ATOM 749 CB LEU A 51 -0.223 3.081 -1.150 1.00 0.00 C ATOM 750 CG LEU A 51 -0.150 1.575 -1.413 1.00 0.00 C ATOM 751 CD1 LEU A 51 -0.748 1.228 -2.778 1.00 0.00 C ATOM 752 CD2 LEU A 51 1.284 1.061 -1.267 1.00 0.00 C ATOM 0 H LEU A 51 -1.062 4.993 0.405 1.00 0.00 H new ATOM 0 HA LEU A 51 0.759 2.671 0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.272 3.374 -1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.229 3.600 -1.995 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.751 1.067 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.684 0.152 -2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.793 1.538 -2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.194 1.747 -3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.307 -0.012 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.928 1.572 -1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.639 1.256 -0.255 1.00 0.00 H new ATOM 764 N ARG A 52 2.843 3.832 0.290 1.00 0.00 N ATOM 765 CA ARG A 52 4.120 4.504 0.120 1.00 0.00 C ATOM 766 C ARG A 52 5.090 3.610 -0.655 1.00 0.00 C ATOM 767 O ARG A 52 5.055 2.388 -0.523 1.00 0.00 O ATOM 768 CB ARG A 52 4.738 4.863 1.472 1.00 0.00 C ATOM 769 CG ARG A 52 5.938 5.796 1.297 1.00 0.00 C ATOM 770 CD ARG A 52 7.192 5.204 1.944 1.00 0.00 C ATOM 771 NE ARG A 52 8.062 6.290 2.446 1.00 0.00 N ATOM 772 CZ ARG A 52 9.339 6.119 2.814 1.00 0.00 C ATOM 773 NH1 ARG A 52 9.902 4.906 2.738 1.00 0.00 N ATOM 774 NH2 ARG A 52 10.053 7.162 3.259 1.00 0.00 N ATOM 0 H ARG A 52 2.899 2.915 0.734 1.00 0.00 H new ATOM 0 HA ARG A 52 3.940 5.422 -0.439 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.989 5.343 2.102 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.052 3.954 1.985 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.118 5.967 0.236 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.717 6.766 1.743 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.911 4.543 2.764 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.734 4.598 1.218 1.00 0.00 H new ATOM 0 HE ARG A 52 7.665 7.227 2.516 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.359 4.112 2.400 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.874 4.776 3.018 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.624 8.086 3.318 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.025 7.032 3.539 1.00 0.00 H new ATOM 788 N ASP A 53 5.934 4.255 -1.447 1.00 0.00 N ATOM 789 CA ASP A 53 6.913 3.535 -2.244 1.00 0.00 C ATOM 790 C ASP A 53 8.319 3.879 -1.750 1.00 0.00 C ATOM 791 O ASP A 53 8.506 4.860 -1.031 1.00 0.00 O ATOM 792 CB ASP A 53 6.819 3.928 -3.719 1.00 0.00 C ATOM 793 CG ASP A 53 6.374 5.369 -3.977 1.00 0.00 C ATOM 794 OD1 ASP A 53 7.246 6.259 -3.877 1.00 0.00 O ATOM 795 OD2 ASP A 53 5.172 5.548 -4.269 1.00 0.00 O ATOM 0 H ASP A 53 5.960 5.269 -1.554 1.00 0.00 H new ATOM 0 HA ASP A 53 6.712 2.469 -2.142 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.794 3.776 -4.183 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.121 3.254 -4.215 1.00 0.00 H new ATOM 800 N PRO A 54 9.298 3.033 -2.167 1.00 0.00 N ATOM 801 CA PRO A 54 10.682 3.238 -1.776 1.00 0.00 C ATOM 802 C PRO A 54 11.306 4.398 -2.554 1.00 0.00 C ATOM 803 O PRO A 54 12.347 4.925 -2.163 1.00 0.00 O ATOM 804 CB PRO A 54 11.368 1.908 -2.041 1.00 0.00 C ATOM 805 CG PRO A 54 10.460 1.155 -3.000 1.00 0.00 C ATOM 806 CD PRO A 54 9.114 1.862 -3.020 1.00 0.00 C ATOM 0 HA PRO A 54 10.785 3.522 -0.729 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.356 2.058 -2.475 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.508 1.349 -1.116 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.895 1.133 -3.999 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.343 0.119 -2.681 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.833 2.150 -4.033 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.322 1.216 -2.641 1.00 0.00 H new ATOM 814 N MET A 55 10.644 4.762 -3.642 1.00 0.00 N ATOM 815 CA MET A 55 11.121 5.850 -4.479 1.00 0.00 C ATOM 816 C MET A 55 11.028 7.189 -3.744 1.00 0.00 C ATOM 817 O MET A 55 11.816 8.098 -4.000 1.00 0.00 O ATOM 818 CB MET A 55 10.286 5.913 -5.760 1.00 0.00 C ATOM 819 CG MET A 55 10.894 5.033 -6.854 1.00 0.00 C ATOM 820 SD MET A 55 12.509 5.646 -7.303 1.00 0.00 S ATOM 821 CE MET A 55 13.407 4.107 -7.406 1.00 0.00 C ATOM 0 H MET A 55 9.781 4.323 -3.964 1.00 0.00 H new ATOM 0 HA MET A 55 12.166 5.663 -4.724 1.00 0.00 H new ATOM 0 HB2 MET A 55 9.267 5.587 -5.551 1.00 0.00 H new ATOM 0 HB3 MET A 55 10.226 6.944 -6.109 1.00 0.00 H new ATOM 0 HG2 MET A 55 10.971 4.004 -6.503 1.00 0.00 H new ATOM 0 HG3 MET A 55 10.243 5.024 -7.728 1.00 0.00 H new ATOM 0 HE1 MET A 55 14.443 4.308 -7.679 1.00 0.00 H new ATOM 0 HE2 MET A 55 13.377 3.603 -6.440 1.00 0.00 H new ATOM 0 HE3 MET A 55 12.950 3.469 -8.162 1.00 0.00 H new ATOM 831 N GLY A 56 10.059 7.268 -2.844 1.00 0.00 N ATOM 832 CA GLY A 56 9.853 8.480 -2.070 1.00 0.00 C ATOM 833 C GLY A 56 8.547 9.170 -2.468 1.00 0.00 C ATOM 834 O GLY A 56 8.513 10.387 -2.644 1.00 0.00 O ATOM 0 H GLY A 56 9.408 6.512 -2.634 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.831 8.238 -1.007 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.690 9.161 -2.225 1.00 0.00 H new ATOM 838 N ARG A 57 7.505 8.363 -2.600 1.00 0.00 N ATOM 839 CA ARG A 57 6.200 8.882 -2.975 1.00 0.00 C ATOM 840 C ARG A 57 5.093 8.088 -2.277 1.00 0.00 C ATOM 841 O ARG A 57 5.301 6.941 -1.883 1.00 0.00 O ATOM 842 CB ARG A 57 5.993 8.810 -4.489 1.00 0.00 C ATOM 843 CG ARG A 57 7.216 9.345 -5.235 1.00 0.00 C ATOM 844 CD ARG A 57 6.829 9.864 -6.622 1.00 0.00 C ATOM 845 NE ARG A 57 6.720 11.340 -6.598 1.00 0.00 N ATOM 846 CZ ARG A 57 5.568 12.005 -6.437 1.00 0.00 C ATOM 847 NH1 ARG A 57 4.420 11.331 -6.285 1.00 0.00 N ATOM 848 NH2 ARG A 57 5.564 13.345 -6.428 1.00 0.00 N ATOM 0 H ARG A 57 7.537 7.354 -2.454 1.00 0.00 H new ATOM 0 HA ARG A 57 6.156 9.926 -2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.804 7.778 -4.785 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.111 9.388 -4.767 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.676 10.147 -4.658 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.961 8.555 -5.333 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.575 9.558 -7.355 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.880 9.426 -6.932 1.00 0.00 H new ATOM 0 HE ARG A 57 7.575 11.885 -6.711 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.423 10.311 -6.292 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.543 11.838 -6.162 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.438 13.858 -6.544 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.687 13.852 -6.305 1.00 0.00 H new ATOM 862 N GLU A 58 3.941 8.729 -2.147 1.00 0.00 N ATOM 863 CA GLU A 58 2.802 8.097 -1.504 1.00 0.00 C ATOM 864 C GLU A 58 1.532 8.329 -2.326 1.00 0.00 C ATOM 865 O GLU A 58 1.528 9.139 -3.252 1.00 0.00 O ATOM 866 CB GLU A 58 2.628 8.605 -0.072 1.00 0.00 C ATOM 867 CG GLU A 58 3.834 8.231 0.793 1.00 0.00 C ATOM 868 CD GLU A 58 3.500 8.351 2.281 1.00 0.00 C ATOM 869 OE1 GLU A 58 2.711 9.262 2.614 1.00 0.00 O ATOM 870 OE2 GLU A 58 4.041 7.530 3.052 1.00 0.00 O ATOM 0 H GLU A 58 3.772 9.680 -2.476 1.00 0.00 H new ATOM 0 HA GLU A 58 2.988 7.024 -1.453 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.503 9.688 -0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.721 8.182 0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.145 7.211 0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.675 8.881 0.552 1.00 0.00 H new ATOM 877 N LEU A 59 0.486 7.605 -1.958 1.00 0.00 N ATOM 878 CA LEU A 59 -0.787 7.722 -2.649 1.00 0.00 C ATOM 879 C LEU A 59 -1.899 7.955 -1.625 1.00 0.00 C ATOM 880 O LEU A 59 -1.836 7.444 -0.508 1.00 0.00 O ATOM 881 CB LEU A 59 -1.022 6.507 -3.548 1.00 0.00 C ATOM 882 CG LEU A 59 -2.258 6.567 -4.448 1.00 0.00 C ATOM 883 CD1 LEU A 59 -2.134 7.694 -5.475 1.00 0.00 C ATOM 884 CD2 LEU A 59 -2.521 5.214 -5.111 1.00 0.00 C ATOM 0 H LEU A 59 0.494 6.934 -1.189 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.781 8.585 -3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.144 6.372 -4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.100 5.622 -2.916 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.123 6.793 -3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.025 7.715 -6.102 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.032 8.648 -4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.256 7.523 -6.098 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.405 5.285 -5.745 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.661 4.933 -5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.685 4.458 -4.343 1.00 0.00 H new ATOM 896 N ASP A 60 -2.893 8.725 -2.043 1.00 0.00 N ATOM 897 CA ASP A 60 -4.018 9.031 -1.176 1.00 0.00 C ATOM 898 C ASP A 60 -4.772 7.740 -0.851 1.00 0.00 C ATOM 899 O ASP A 60 -5.048 6.937 -1.742 1.00 0.00 O ATOM 900 CB ASP A 60 -4.995 9.990 -1.859 1.00 0.00 C ATOM 901 CG ASP A 60 -5.151 11.350 -1.175 1.00 0.00 C ATOM 902 OD1 ASP A 60 -4.395 11.589 -0.209 1.00 0.00 O ATOM 903 OD2 ASP A 60 -6.023 12.119 -1.633 1.00 0.00 O ATOM 0 H ASP A 60 -2.943 9.146 -2.971 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.629 9.497 -0.271 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.664 10.152 -2.885 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.973 9.512 -1.911 1.00 0.00 H new ATOM 908 N TRP A 61 -5.085 7.580 0.426 1.00 0.00 N ATOM 909 CA TRP A 61 -5.801 6.400 0.880 1.00 0.00 C ATOM 910 C TRP A 61 -6.932 6.124 -0.113 1.00 0.00 C ATOM 911 O TRP A 61 -7.050 5.015 -0.633 1.00 0.00 O ATOM 912 CB TRP A 61 -6.297 6.578 2.316 1.00 0.00 C ATOM 913 CG TRP A 61 -7.722 6.073 2.550 1.00 0.00 C ATOM 914 CD1 TRP A 61 -8.734 6.709 3.156 1.00 0.00 C ATOM 915 CD2 TRP A 61 -8.256 4.792 2.153 1.00 0.00 C ATOM 916 NE1 TRP A 61 -9.876 5.935 3.179 1.00 0.00 N ATOM 917 CE2 TRP A 61 -9.576 4.732 2.550 1.00 0.00 C ATOM 918 CE3 TRP A 61 -7.644 3.719 1.482 1.00 0.00 C ATOM 919 CZ2 TRP A 61 -10.396 3.621 2.321 1.00 0.00 C ATOM 920 CZ3 TRP A 61 -8.476 2.616 1.260 1.00 0.00 C ATOM 921 CH2 TRP A 61 -9.807 2.540 1.653 1.00 0.00 C ATOM 0 H TRP A 61 -4.856 8.249 1.161 1.00 0.00 H new ATOM 0 HA TRP A 61 -5.140 5.534 0.906 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -5.621 6.052 2.991 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -6.250 7.635 2.577 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -8.664 7.702 3.574 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -10.775 6.197 3.583 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.613 3.744 1.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -11.427 3.599 2.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -8.054 1.764 0.747 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -10.384 1.651 1.444 1.00 0.00 H new ATOM 932 N PRO A 62 -7.757 7.178 -0.353 1.00 0.00 N ATOM 933 CA PRO A 62 -8.874 7.060 -1.274 1.00 0.00 C ATOM 934 C PRO A 62 -8.391 7.063 -2.726 1.00 0.00 C ATOM 935 O PRO A 62 -8.087 8.118 -3.280 1.00 0.00 O ATOM 936 CB PRO A 62 -9.780 8.236 -0.947 1.00 0.00 C ATOM 937 CG PRO A 62 -8.918 9.225 -0.180 1.00 0.00 C ATOM 938 CD PRO A 62 -7.648 8.506 0.244 1.00 0.00 C ATOM 0 HA PRO A 62 -9.411 6.118 -1.164 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -10.178 8.687 -1.856 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.634 7.917 -0.350 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.679 10.086 -0.803 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -9.453 9.601 0.692 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.760 9.028 -0.111 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.570 8.447 1.330 1.00 0.00 H new ATOM 946 N PHE A 63 -8.335 5.871 -3.300 1.00 0.00 N ATOM 947 CA PHE A 63 -7.894 5.723 -4.677 1.00 0.00 C ATOM 948 C PHE A 63 -8.731 4.674 -5.411 1.00 0.00 C ATOM 949 O PHE A 63 -9.736 4.197 -4.886 1.00 0.00 O ATOM 950 CB PHE A 63 -6.438 5.256 -4.632 1.00 0.00 C ATOM 951 CG PHE A 63 -6.107 4.365 -3.433 1.00 0.00 C ATOM 952 CD1 PHE A 63 -6.973 3.389 -3.051 1.00 0.00 C ATOM 953 CD2 PHE A 63 -4.946 4.551 -2.748 1.00 0.00 C ATOM 954 CE1 PHE A 63 -6.665 2.562 -1.938 1.00 0.00 C ATOM 955 CE2 PHE A 63 -4.639 3.724 -1.635 1.00 0.00 C ATOM 956 CZ PHE A 63 -5.505 2.748 -1.254 1.00 0.00 C ATOM 0 H PHE A 63 -8.588 4.998 -2.837 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.002 6.670 -5.206 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.213 4.712 -5.549 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.787 6.130 -4.613 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.895 3.243 -3.594 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.258 5.327 -3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.352 1.786 -1.635 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.717 3.871 -1.091 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.271 2.120 -0.407 1.00 0.00 H new ATOM 966 N ASP A 64 -8.287 4.345 -6.615 1.00 0.00 N ATOM 967 CA ASP A 64 -8.982 3.362 -7.428 1.00 0.00 C ATOM 968 C ASP A 64 -7.996 2.276 -7.863 1.00 0.00 C ATOM 969 O ASP A 64 -6.856 2.248 -7.402 1.00 0.00 O ATOM 970 CB ASP A 64 -9.567 4.002 -8.688 1.00 0.00 C ATOM 971 CG ASP A 64 -10.316 5.316 -8.458 1.00 0.00 C ATOM 972 OD1 ASP A 64 -10.819 5.492 -7.327 1.00 0.00 O ATOM 973 OD2 ASP A 64 -10.368 6.115 -9.418 1.00 0.00 O ATOM 0 H ASP A 64 -7.453 4.743 -7.048 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.790 2.941 -6.829 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.757 4.182 -9.395 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.247 3.291 -9.156 1.00 0.00 H new ATOM 978 N ALA A 65 -8.470 1.409 -8.745 1.00 0.00 N ATOM 979 CA ALA A 65 -7.644 0.325 -9.248 1.00 0.00 C ATOM 980 C ALA A 65 -6.668 0.874 -10.290 1.00 0.00 C ATOM 981 O ALA A 65 -5.467 0.618 -10.216 1.00 0.00 O ATOM 982 CB ALA A 65 -8.540 -0.780 -9.812 1.00 0.00 C ATOM 0 H ALA A 65 -9.416 1.435 -9.125 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.054 -0.113 -8.443 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.921 -1.594 -10.190 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.193 -1.156 -9.025 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.146 -0.378 -10.624 1.00 0.00 H new ATOM 988 N PRO A 66 -7.235 1.637 -11.262 1.00 0.00 N ATOM 989 CA PRO A 66 -6.427 2.225 -12.318 1.00 0.00 C ATOM 990 C PRO A 66 -5.628 3.420 -11.797 1.00 0.00 C ATOM 991 O PRO A 66 -4.616 3.798 -12.384 1.00 0.00 O ATOM 992 CB PRO A 66 -7.418 2.602 -13.407 1.00 0.00 C ATOM 993 CG PRO A 66 -8.781 2.640 -12.735 1.00 0.00 C ATOM 994 CD PRO A 66 -8.653 1.961 -11.382 1.00 0.00 C ATOM 0 HA PRO A 66 -5.674 1.538 -12.703 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -7.170 3.570 -13.843 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.403 1.874 -14.218 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.119 3.669 -12.615 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.524 2.130 -13.349 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -8.978 2.619 -10.576 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.270 1.064 -11.329 1.00 0.00 H new ATOM 1002 N ARG A 67 -6.113 3.982 -10.699 1.00 0.00 N ATOM 1003 CA ARG A 67 -5.457 5.128 -10.092 1.00 0.00 C ATOM 1004 C ARG A 67 -4.306 4.666 -9.195 1.00 0.00 C ATOM 1005 O ARG A 67 -3.306 5.368 -9.051 1.00 0.00 O ATOM 1006 CB ARG A 67 -6.443 5.951 -9.261 1.00 0.00 C ATOM 1007 CG ARG A 67 -6.257 7.449 -9.516 1.00 0.00 C ATOM 1008 CD ARG A 67 -7.554 8.215 -9.247 1.00 0.00 C ATOM 1009 NE ARG A 67 -8.098 8.748 -10.516 1.00 0.00 N ATOM 1010 CZ ARG A 67 -9.116 9.617 -10.591 1.00 0.00 C ATOM 1011 NH1 ARG A 67 -9.706 10.055 -9.470 1.00 0.00 N ATOM 1012 NH2 ARG A 67 -9.544 10.046 -11.785 1.00 0.00 N ATOM 0 H ARG A 67 -6.953 3.665 -10.214 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.068 5.752 -10.896 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.464 5.660 -9.508 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -6.298 5.738 -8.202 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.463 7.835 -8.877 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.942 7.610 -10.547 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.284 7.557 -8.777 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.366 9.032 -8.550 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.672 8.435 -11.388 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.380 9.727 -8.561 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.481 10.716 -9.526 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.095 9.712 -12.638 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.319 10.707 -11.842 1.00 0.00 H new ATOM 1026 N LEU A 68 -4.486 3.488 -8.616 1.00 0.00 N ATOM 1027 CA LEU A 68 -3.475 2.924 -7.737 1.00 0.00 C ATOM 1028 C LEU A 68 -2.361 2.302 -8.581 1.00 0.00 C ATOM 1029 O LEU A 68 -1.183 2.422 -8.248 1.00 0.00 O ATOM 1030 CB LEU A 68 -4.112 1.951 -6.744 1.00 0.00 C ATOM 1031 CG LEU A 68 -3.203 1.449 -5.619 1.00 0.00 C ATOM 1032 CD1 LEU A 68 -3.694 1.941 -4.257 1.00 0.00 C ATOM 1033 CD2 LEU A 68 -3.065 -0.074 -5.663 1.00 0.00 C ATOM 0 H LEU A 68 -5.316 2.909 -8.738 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.017 3.706 -7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.978 2.437 -6.295 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.482 1.088 -7.298 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.208 1.866 -5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.031 1.570 -3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.697 3.031 -4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.705 1.573 -4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.414 -0.404 -4.853 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.048 -0.532 -5.548 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.635 -0.373 -6.619 1.00 0.00 H new ATOM 1045 N ARG A 69 -2.774 1.649 -9.658 1.00 0.00 N ATOM 1046 CA ARG A 69 -1.825 1.007 -10.553 1.00 0.00 C ATOM 1047 C ARG A 69 -0.970 2.058 -11.263 1.00 0.00 C ATOM 1048 O ARG A 69 0.251 1.928 -11.329 1.00 0.00 O ATOM 1049 CB ARG A 69 -2.546 0.154 -11.599 1.00 0.00 C ATOM 1050 CG ARG A 69 -1.633 -0.955 -12.126 1.00 0.00 C ATOM 1051 CD ARG A 69 -1.145 -0.638 -13.540 1.00 0.00 C ATOM 1052 NE ARG A 69 -1.698 -1.621 -14.499 1.00 0.00 N ATOM 1053 CZ ARG A 69 -1.296 -2.896 -14.582 1.00 0.00 C ATOM 1054 NH1 ARG A 69 -0.337 -3.352 -13.765 1.00 0.00 N ATOM 1055 NH2 ARG A 69 -1.854 -3.717 -15.482 1.00 0.00 N ATOM 0 H ARG A 69 -3.752 1.551 -9.931 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.186 0.361 -9.951 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.442 -0.285 -11.160 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.872 0.785 -12.426 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.778 -1.074 -11.461 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -2.170 -1.903 -12.127 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.451 0.369 -13.822 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.056 -0.660 -13.571 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.431 -1.308 -15.136 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.088 -2.728 -13.079 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.032 -4.323 -13.829 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.585 -3.371 -16.104 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.548 -4.688 -15.545 1.00 0.00 H new ATOM 1069 N ALA A 70 -1.645 3.076 -11.775 1.00 0.00 N ATOM 1070 CA ALA A 70 -0.962 4.149 -12.478 1.00 0.00 C ATOM 1071 C ALA A 70 0.063 4.793 -11.543 1.00 0.00 C ATOM 1072 O ALA A 70 1.099 5.280 -11.993 1.00 0.00 O ATOM 1073 CB ALA A 70 -1.991 5.155 -12.997 1.00 0.00 C ATOM 0 H ALA A 70 -2.658 3.181 -11.717 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.422 3.760 -13.341 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.479 5.960 -13.524 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.678 4.654 -13.679 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.550 5.569 -12.158 1.00 0.00 H new ATOM 1079 N TRP A 71 -0.261 4.775 -10.259 1.00 0.00 N ATOM 1080 CA TRP A 71 0.619 5.351 -9.256 1.00 0.00 C ATOM 1081 C TRP A 71 1.824 4.422 -9.094 1.00 0.00 C ATOM 1082 O TRP A 71 2.937 4.881 -8.841 1.00 0.00 O ATOM 1083 CB TRP A 71 -0.129 5.594 -7.944 1.00 0.00 C ATOM 1084 CG TRP A 71 0.778 5.965 -6.769 1.00 0.00 C ATOM 1085 CD1 TRP A 71 1.272 7.171 -6.457 1.00 0.00 C ATOM 1086 CD2 TRP A 71 1.284 5.069 -5.757 1.00 0.00 C ATOM 1087 NE1 TRP A 71 2.055 7.118 -5.322 1.00 0.00 N ATOM 1088 CE2 TRP A 71 2.063 5.799 -4.883 1.00 0.00 C ATOM 1089 CE3 TRP A 71 1.089 3.687 -5.586 1.00 0.00 C ATOM 1090 CZ2 TRP A 71 2.709 5.235 -3.777 1.00 0.00 C ATOM 1091 CZ3 TRP A 71 1.741 3.138 -4.476 1.00 0.00 C ATOM 1092 CH2 TRP A 71 2.529 3.859 -3.586 1.00 0.00 C ATOM 0 H TRP A 71 -1.121 4.370 -9.889 1.00 0.00 H new ATOM 0 HA TRP A 71 0.975 6.331 -9.573 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.856 6.392 -8.095 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -0.691 4.696 -7.686 1.00 0.00 H new ATOM 0 HD1 TRP A 71 1.081 8.071 -7.023 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.539 7.903 -4.885 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.484 3.096 -6.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 3.314 5.828 -3.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 1.624 2.079 -4.298 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.000 3.361 -2.752 1.00 0.00 H new ATOM 1103 N LEU A 72 1.561 3.133 -9.247 1.00 0.00 N ATOM 1104 CA LEU A 72 2.610 2.135 -9.121 1.00 0.00 C ATOM 1105 C LEU A 72 3.565 2.253 -10.309 1.00 0.00 C ATOM 1106 O LEU A 72 4.780 2.316 -10.130 1.00 0.00 O ATOM 1107 CB LEU A 72 2.005 0.740 -8.954 1.00 0.00 C ATOM 1108 CG LEU A 72 1.279 0.477 -7.633 1.00 0.00 C ATOM 1109 CD1 LEU A 72 0.130 -0.515 -7.826 1.00 0.00 C ATOM 1110 CD2 LEU A 72 2.258 0.016 -6.551 1.00 0.00 C ATOM 0 H LEU A 72 0.637 2.756 -9.457 1.00 0.00 H new ATOM 0 HA LEU A 72 3.198 2.312 -8.220 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.304 0.570 -9.771 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.803 0.005 -9.060 1.00 0.00 H new ATOM 0 HG LEU A 72 0.841 1.415 -7.292 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.369 -0.684 -6.872 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.585 -0.109 -8.542 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.524 -1.459 -8.202 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.716 -0.164 -5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.746 -0.905 -6.870 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.010 0.788 -6.388 1.00 0.00 H new ATOM 1122 N ASP A 73 2.980 2.278 -11.498 1.00 0.00 N ATOM 1123 CA ASP A 73 3.765 2.387 -12.716 1.00 0.00 C ATOM 1124 C ASP A 73 4.647 3.635 -12.639 1.00 0.00 C ATOM 1125 O ASP A 73 5.751 3.653 -13.182 1.00 0.00 O ATOM 1126 CB ASP A 73 2.861 2.522 -13.943 1.00 0.00 C ATOM 1127 CG ASP A 73 2.796 1.283 -14.838 1.00 0.00 C ATOM 1128 OD1 ASP A 73 3.163 0.199 -14.334 1.00 0.00 O ATOM 1129 OD2 ASP A 73 2.381 1.447 -16.005 1.00 0.00 O ATOM 0 H ASP A 73 1.972 2.225 -11.644 1.00 0.00 H new ATOM 0 HA ASP A 73 4.369 1.485 -12.810 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.852 2.763 -13.608 1.00 0.00 H new ATOM 0 HB3 ASP A 73 3.208 3.365 -14.540 1.00 0.00 H new ATOM 1134 N ALA A 74 4.127 4.648 -11.962 1.00 0.00 N ATOM 1135 CA ALA A 74 4.854 5.896 -11.807 1.00 0.00 C ATOM 1136 C ALA A 74 6.248 5.604 -11.249 1.00 0.00 C ATOM 1137 O ALA A 74 7.177 6.385 -11.450 1.00 0.00 O ATOM 1138 CB ALA A 74 4.054 6.845 -10.912 1.00 0.00 C ATOM 0 H ALA A 74 3.211 4.630 -11.514 1.00 0.00 H new ATOM 0 HA ALA A 74 4.982 6.388 -12.771 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.599 7.782 -10.796 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.084 7.044 -11.368 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.908 6.386 -9.934 1.00 0.00 H new ATOM 1144 N ALA A 75 6.349 4.478 -10.558 1.00 0.00 N ATOM 1145 CA ALA A 75 7.614 4.074 -9.969 1.00 0.00 C ATOM 1146 C ALA A 75 7.958 2.657 -10.432 1.00 0.00 C ATOM 1147 O ALA A 75 7.500 1.679 -9.844 1.00 0.00 O ATOM 1148 CB ALA A 75 7.526 4.183 -8.445 1.00 0.00 C ATOM 0 H ALA A 75 5.576 3.833 -10.393 1.00 0.00 H new ATOM 0 HA ALA A 75 8.418 4.733 -10.298 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.475 3.880 -8.003 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.309 5.214 -8.166 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.731 3.533 -8.079 1.00 0.00 H new ATOM 1154 N PRO A 76 8.783 2.590 -11.512 1.00 0.00 N ATOM 1155 CA PRO A 76 9.193 1.309 -12.062 1.00 0.00 C ATOM 1156 C PRO A 76 10.245 0.642 -11.173 1.00 0.00 C ATOM 1157 O PRO A 76 10.748 1.256 -10.233 1.00 0.00 O ATOM 1158 CB PRO A 76 9.708 1.626 -13.456 1.00 0.00 C ATOM 1159 CG PRO A 76 10.000 3.117 -13.463 1.00 0.00 C ATOM 1160 CD PRO A 76 9.344 3.727 -12.235 1.00 0.00 C ATOM 0 HA PRO A 76 8.375 0.590 -12.108 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.606 1.051 -13.681 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.968 1.369 -14.214 1.00 0.00 H new ATOM 0 HG2 PRO A 76 11.075 3.295 -13.449 1.00 0.00 H new ATOM 0 HG3 PRO A 76 9.612 3.578 -14.371 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.069 4.266 -11.625 1.00 0.00 H new ATOM 0 HD3 PRO A 76 8.569 4.441 -12.513 1.00 0.00 H new ATOM 1168 N HIS A 77 10.547 -0.605 -11.502 1.00 0.00 N ATOM 1169 CA HIS A 77 11.530 -1.362 -10.745 1.00 0.00 C ATOM 1170 C HIS A 77 11.640 -2.777 -11.317 1.00 0.00 C ATOM 1171 O HIS A 77 10.663 -3.321 -11.827 1.00 0.00 O ATOM 1172 CB HIS A 77 11.194 -1.350 -9.253 1.00 0.00 C ATOM 1173 CG HIS A 77 12.382 -1.095 -8.357 1.00 0.00 C ATOM 1174 ND1 HIS A 77 12.264 -0.894 -6.993 1.00 0.00 N ATOM 1175 CD2 HIS A 77 13.713 -1.011 -8.644 1.00 0.00 C ATOM 1176 CE1 HIS A 77 13.475 -0.699 -6.492 1.00 0.00 C ATOM 1177 NE2 HIS A 77 14.371 -0.771 -7.517 1.00 0.00 N ATOM 0 H HIS A 77 10.128 -1.111 -12.283 1.00 0.00 H new ATOM 0 HA HIS A 77 12.509 -0.892 -10.841 1.00 0.00 H new ATOM 0 HB2 HIS A 77 10.441 -0.584 -9.067 1.00 0.00 H new ATOM 0 HB3 HIS A 77 10.748 -2.308 -8.984 1.00 0.00 H new ATOM 0 HD2 HIS A 77 14.156 -1.121 -9.623 1.00 0.00 H new ATOM 0 HE1 HIS A 77 13.711 -0.515 -5.454 1.00 0.00 H new ATOM 0 HE2 HIS A 77 15.381 -0.659 -7.432 1.00 0.00 H new ATOM 1185 N ALA A 78 12.839 -3.331 -11.212 1.00 0.00 N ATOM 1186 CA ALA A 78 13.089 -4.672 -11.712 1.00 0.00 C ATOM 1187 C ALA A 78 13.549 -5.565 -10.558 1.00 0.00 C ATOM 1188 O ALA A 78 14.682 -6.044 -10.552 1.00 0.00 O ATOM 1189 CB ALA A 78 14.115 -4.611 -12.846 1.00 0.00 C ATOM 0 H ALA A 78 13.647 -2.876 -10.788 1.00 0.00 H new ATOM 0 HA ALA A 78 12.176 -5.105 -12.120 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.303 -5.617 -13.221 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.729 -3.989 -13.653 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.045 -4.184 -12.472 1.00 0.00 H new TER 1195 ALA A 78