USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 728 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 36 GLN : amide:sc= -0.459 K(o=-1.1,f=-7.2!) USER MOD Set 1.2: A 48 ASN : amide:sc= -0.651 K(o=-1.1,f=-7.5!) USER MOD Set 2.1: A 14 SER OG : rot -105:sc= 0.764 USER MOD Set 2.2: A 113 ASN : amide:sc= 0.861 K(o=1.6,f=0.94) USER MOD Single : A 1 ALA N :NH3+ 143:sc= 0.0231 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 10 SER OG : rot 170:sc= -0.18 USER MOD Single : A 11 SER OG : rot 180:sc= -0.218 USER MOD Single : A 17 THR OG1 : rot 84:sc= 1.27 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.326 K(o=-0.33,f=-1) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot -13:sc= 0.165 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00166 USER MOD Single : A 53 SER OG : rot 143:sc= 1.03 USER MOD Single : A 54 SER OG : rot -63:sc= 0.501 USER MOD Single : A 56 THR OG1 : rot 32:sc= 0.0342 USER MOD Single : A 60 ASN : amide:sc= -0.0281 K(o=-0.028,f=-1.2!) USER MOD Single : A 62 SER OG : rot 57:sc= 0.763 USER MOD Single : A 64 SER OG : rot 180:sc= 0.00861 USER MOD Single : A 65 THR OG1 : rot 170:sc= -0.0112 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -76:sc= 0.686 USER MOD Single : A 81 THR OG1 : rot 79:sc= 1.05 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0805 USER MOD Single : A 90 THR OG1 : rot -43:sc= 0.444 USER MOD Single : A 94 GLN : amide:sc= -0.637 K(o=-0.64,f=-2.8!) USER MOD Single : A 98 SER OG : rot 8:sc= 0.742 USER MOD Single : A 103 ASN : amide:sc=-0.00763 K(o=-0.0076,f=-0.85) USER MOD Single : A 111 SER OG : rot 180:sc= -0.0787 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.685 5.515 15.888 1.00 0.00 N ATOM 2 CA ALA A 1 -16.202 4.597 14.845 1.00 0.00 C ATOM 3 C ALA A 1 -15.291 3.385 14.705 1.00 0.00 C ATOM 4 O ALA A 1 -14.069 3.508 14.785 1.00 0.00 O ATOM 5 CB ALA A 1 -16.323 5.318 13.510 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.849 6.500 15.596 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.178 5.334 16.786 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.665 5.357 16.015 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.193 4.258 15.148 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.704 4.628 12.757 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.009 6.159 13.612 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.343 5.684 13.204 1.00 0.00 H new ATOM 11 N ALA A 2 -15.886 2.219 14.496 1.00 0.00 N ATOM 12 CA ALA A 2 -15.124 0.988 14.344 1.00 0.00 C ATOM 13 C ALA A 2 -14.941 0.646 12.873 1.00 0.00 C ATOM 14 O ALA A 2 -15.905 0.314 12.181 1.00 0.00 O ATOM 15 CB ALA A 2 -15.812 -0.156 15.075 1.00 0.00 C ATOM 0 H ALA A 2 -16.897 2.100 14.428 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.138 1.139 14.785 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -15.230 -1.069 14.952 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.890 0.084 16.135 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.810 -0.304 14.662 1.00 0.00 H new ATOM 21 N PRO A 3 -13.703 0.741 12.366 1.00 0.00 N ATOM 22 CA PRO A 3 -13.398 0.433 10.974 1.00 0.00 C ATOM 23 C PRO A 3 -13.168 -1.061 10.742 1.00 0.00 C ATOM 24 O PRO A 3 -12.468 -1.727 11.511 1.00 0.00 O ATOM 25 CB PRO A 3 -12.117 1.224 10.723 1.00 0.00 C ATOM 26 CG PRO A 3 -11.428 1.272 12.046 1.00 0.00 C ATOM 27 CD PRO A 3 -12.502 1.181 13.105 1.00 0.00 C ATOM 0 HA PRO A 3 -14.217 0.693 10.304 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.494 0.739 9.971 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.337 2.226 10.356 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.720 0.449 12.143 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.859 2.196 12.152 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.232 0.470 13.886 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.664 2.143 13.592 1.00 0.00 H new ATOM 35 N THR A 4 -13.762 -1.583 9.684 1.00 0.00 N ATOM 36 CA THR A 4 -13.625 -2.988 9.345 1.00 0.00 C ATOM 37 C THR A 4 -12.562 -3.169 8.258 1.00 0.00 C ATOM 38 O THR A 4 -12.877 -3.355 7.083 1.00 0.00 O ATOM 39 CB THR A 4 -14.969 -3.576 8.868 1.00 0.00 C ATOM 40 OG1 THR A 4 -16.048 -2.939 9.567 1.00 0.00 O ATOM 41 CG2 THR A 4 -15.023 -5.084 9.107 1.00 0.00 C ATOM 0 H THR A 4 -14.348 -1.051 9.041 1.00 0.00 H new ATOM 0 HA THR A 4 -13.315 -3.523 10.243 1.00 0.00 H new ATOM 0 HB THR A 4 -15.063 -3.394 7.797 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.901 -3.312 9.262 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.981 -5.473 8.762 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.216 -5.569 8.558 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.911 -5.288 10.172 1.00 0.00 H new ATOM 49 N ALA A 5 -11.302 -3.094 8.655 1.00 0.00 N ATOM 50 CA ALA A 5 -10.204 -3.244 7.716 1.00 0.00 C ATOM 51 C ALA A 5 -9.790 -4.704 7.597 1.00 0.00 C ATOM 52 O ALA A 5 -9.033 -5.217 8.423 1.00 0.00 O ATOM 53 CB ALA A 5 -9.022 -2.388 8.142 1.00 0.00 C ATOM 0 H ALA A 5 -11.015 -2.930 9.620 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.543 -2.906 6.737 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.207 -2.511 7.428 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.323 -1.341 8.172 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.687 -2.697 9.132 1.00 0.00 H new ATOM 59 N THR A 6 -10.304 -5.373 6.583 1.00 0.00 N ATOM 60 CA THR A 6 -9.985 -6.771 6.358 1.00 0.00 C ATOM 61 C THR A 6 -9.129 -6.924 5.105 1.00 0.00 C ATOM 62 O THR A 6 -9.574 -6.636 3.996 1.00 0.00 O ATOM 63 CB THR A 6 -11.271 -7.610 6.225 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.283 -7.065 7.079 1.00 0.00 O ATOM 65 CG2 THR A 6 -11.019 -9.059 6.607 1.00 0.00 C ATOM 0 H THR A 6 -10.946 -4.970 5.900 1.00 0.00 H new ATOM 0 HA THR A 6 -9.422 -7.135 7.218 1.00 0.00 H new ATOM 0 HB THR A 6 -11.598 -7.578 5.186 1.00 0.00 H new ATOM 0 HG1 THR A 6 -13.103 -7.596 6.995 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.943 -9.628 6.504 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.258 -9.481 5.951 1.00 0.00 H new ATOM 0 HG23 THR A 6 -10.676 -9.108 7.640 1.00 0.00 H new ATOM 73 N VAL A 7 -7.892 -7.353 5.289 1.00 0.00 N ATOM 74 CA VAL A 7 -6.978 -7.530 4.171 1.00 0.00 C ATOM 75 C VAL A 7 -6.493 -8.971 4.093 1.00 0.00 C ATOM 76 O VAL A 7 -6.511 -9.693 5.088 1.00 0.00 O ATOM 77 CB VAL A 7 -5.759 -6.581 4.271 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.206 -5.126 4.286 1.00 0.00 C ATOM 79 CG2 VAL A 7 -4.924 -6.897 5.506 1.00 0.00 C ATOM 0 H VAL A 7 -7.497 -7.585 6.200 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.532 -7.284 3.265 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.137 -6.739 3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.333 -4.478 4.357 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.750 -4.903 3.368 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.856 -4.954 5.144 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.074 -6.217 5.554 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.536 -6.776 6.400 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.564 -7.924 5.449 1.00 0.00 H new ATOM 89 N THR A 8 -6.082 -9.390 2.909 1.00 0.00 N ATOM 90 CA THR A 8 -5.580 -10.737 2.713 1.00 0.00 C ATOM 91 C THR A 8 -4.077 -10.697 2.438 1.00 0.00 C ATOM 92 O THR A 8 -3.648 -10.485 1.300 1.00 0.00 O ATOM 93 CB THR A 8 -6.302 -11.435 1.545 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.671 -11.006 1.488 1.00 0.00 O ATOM 95 CG2 THR A 8 -6.247 -12.945 1.707 1.00 0.00 C ATOM 0 H THR A 8 -6.086 -8.814 2.067 1.00 0.00 H new ATOM 0 HA THR A 8 -5.771 -11.305 3.623 1.00 0.00 H new ATOM 0 HB THR A 8 -5.798 -11.163 0.618 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.123 -11.453 0.742 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.762 -13.420 0.872 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.207 -13.271 1.724 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.732 -13.229 2.641 1.00 0.00 H new ATOM 103 N PRO A 9 -3.258 -10.878 3.485 1.00 0.00 N ATOM 104 CA PRO A 9 -1.800 -10.837 3.366 1.00 0.00 C ATOM 105 C PRO A 9 -1.230 -12.075 2.675 1.00 0.00 C ATOM 106 O PRO A 9 -1.718 -13.190 2.862 1.00 0.00 O ATOM 107 CB PRO A 9 -1.330 -10.762 4.819 1.00 0.00 C ATOM 108 CG PRO A 9 -2.405 -11.433 5.599 1.00 0.00 C ATOM 109 CD PRO A 9 -3.690 -11.149 4.870 1.00 0.00 C ATOM 0 HA PRO A 9 -1.465 -10.001 2.752 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.372 -11.265 4.952 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.195 -9.729 5.139 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.225 -12.506 5.667 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.443 -11.050 6.619 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.372 -11.998 4.917 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.213 -10.295 5.300 1.00 0.00 H new ATOM 117 N SER A 10 -0.193 -11.867 1.877 1.00 0.00 N ATOM 118 CA SER A 10 0.459 -12.947 1.150 1.00 0.00 C ATOM 119 C SER A 10 1.589 -13.565 1.974 1.00 0.00 C ATOM 120 O SER A 10 2.658 -13.885 1.450 1.00 0.00 O ATOM 121 CB SER A 10 0.997 -12.396 -0.168 1.00 0.00 C ATOM 122 OG SER A 10 0.988 -10.977 -0.156 1.00 0.00 O ATOM 0 H SER A 10 0.219 -10.948 1.715 1.00 0.00 H new ATOM 0 HA SER A 10 -0.267 -13.735 0.953 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.012 -12.757 -0.332 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.390 -12.762 -0.996 1.00 0.00 H new ATOM 0 HG SER A 10 1.481 -10.640 -0.933 1.00 0.00 H new ATOM 128 N SER A 11 1.339 -13.737 3.264 1.00 0.00 N ATOM 129 CA SER A 11 2.320 -14.306 4.173 1.00 0.00 C ATOM 130 C SER A 11 2.637 -15.752 3.800 1.00 0.00 C ATOM 131 O SER A 11 1.772 -16.627 3.879 1.00 0.00 O ATOM 132 CB SER A 11 1.780 -14.230 5.601 1.00 0.00 C ATOM 133 OG SER A 11 0.990 -13.062 5.778 1.00 0.00 O ATOM 0 H SER A 11 0.455 -13.487 3.707 1.00 0.00 H new ATOM 0 HA SER A 11 3.246 -13.735 4.100 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.182 -15.116 5.817 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.609 -14.225 6.309 1.00 0.00 H new ATOM 0 HG SER A 11 0.652 -13.032 6.697 1.00 0.00 H new ATOM 139 N GLY A 12 3.869 -15.993 3.369 1.00 0.00 N ATOM 140 CA GLY A 12 4.278 -17.334 3.003 1.00 0.00 C ATOM 141 C GLY A 12 4.278 -17.557 1.504 1.00 0.00 C ATOM 142 O GLY A 12 4.745 -18.590 1.025 1.00 0.00 O ATOM 0 H GLY A 12 4.593 -15.282 3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.277 -17.524 3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.609 -18.055 3.473 1.00 0.00 H new ATOM 146 N LEU A 13 3.763 -16.591 0.761 1.00 0.00 N ATOM 147 CA LEU A 13 3.710 -16.698 -0.689 1.00 0.00 C ATOM 148 C LEU A 13 4.936 -16.032 -1.305 1.00 0.00 C ATOM 149 O LEU A 13 5.716 -15.395 -0.602 1.00 0.00 O ATOM 150 CB LEU A 13 2.410 -16.088 -1.224 1.00 0.00 C ATOM 151 CG LEU A 13 1.136 -16.793 -0.749 1.00 0.00 C ATOM 152 CD1 LEU A 13 -0.101 -16.010 -1.152 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.070 -18.212 -1.297 1.00 0.00 C ATOM 0 H LEU A 13 3.376 -15.725 1.137 1.00 0.00 H new ATOM 0 HA LEU A 13 3.719 -17.751 -0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.364 -15.041 -0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.436 -16.107 -2.314 1.00 0.00 H new ATOM 0 HG LEU A 13 1.166 -16.844 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.992 -16.532 -0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.064 -15.016 -0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.136 -15.919 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.157 -18.695 -0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.070 -18.182 -2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.935 -18.777 -0.950 1.00 0.00 H new ATOM 165 N SER A 14 5.117 -16.197 -2.605 1.00 0.00 N ATOM 166 CA SER A 14 6.270 -15.627 -3.291 1.00 0.00 C ATOM 167 C SER A 14 5.935 -14.274 -3.926 1.00 0.00 C ATOM 168 O SER A 14 4.911 -13.665 -3.609 1.00 0.00 O ATOM 169 CB SER A 14 6.764 -16.612 -4.348 1.00 0.00 C ATOM 170 OG SER A 14 6.865 -17.920 -3.808 1.00 0.00 O ATOM 0 H SER A 14 4.482 -16.720 -3.208 1.00 0.00 H new ATOM 0 HA SER A 14 7.059 -15.451 -2.560 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.080 -16.616 -5.197 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.736 -16.292 -4.724 1.00 0.00 H new ATOM 0 HG SER A 14 7.808 -18.139 -3.656 1.00 0.00 H new ATOM 176 N ASP A 15 6.803 -13.805 -4.820 1.00 0.00 N ATOM 177 CA ASP A 15 6.596 -12.522 -5.486 1.00 0.00 C ATOM 178 C ASP A 15 5.567 -12.663 -6.606 1.00 0.00 C ATOM 179 O ASP A 15 5.284 -13.775 -7.066 1.00 0.00 O ATOM 180 CB ASP A 15 7.925 -11.973 -6.033 1.00 0.00 C ATOM 181 CG ASP A 15 8.142 -12.278 -7.504 1.00 0.00 C ATOM 182 OD1 ASP A 15 8.442 -13.443 -7.838 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.023 -11.351 -8.329 1.00 0.00 O ATOM 0 H ASP A 15 7.654 -14.293 -5.099 1.00 0.00 H new ATOM 0 HA ASP A 15 6.212 -11.812 -4.754 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.952 -10.893 -5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.749 -12.394 -5.457 1.00 0.00 H new ATOM 188 N GLY A 16 4.997 -11.540 -7.031 1.00 0.00 N ATOM 189 CA GLY A 16 3.996 -11.564 -8.084 1.00 0.00 C ATOM 190 C GLY A 16 2.624 -11.935 -7.555 1.00 0.00 C ATOM 191 O GLY A 16 1.700 -12.189 -8.324 1.00 0.00 O ATOM 0 H GLY A 16 5.210 -10.612 -6.665 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.948 -10.585 -8.561 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.294 -12.278 -8.851 1.00 0.00 H new ATOM 195 N THR A 17 2.500 -11.967 -6.237 1.00 0.00 N ATOM 196 CA THR A 17 1.246 -12.312 -5.593 1.00 0.00 C ATOM 197 C THR A 17 0.342 -11.086 -5.482 1.00 0.00 C ATOM 198 O THR A 17 0.815 -9.964 -5.280 1.00 0.00 O ATOM 199 CB THR A 17 1.498 -12.919 -4.197 1.00 0.00 C ATOM 200 OG1 THR A 17 2.417 -14.017 -4.308 1.00 0.00 O ATOM 201 CG2 THR A 17 0.201 -13.403 -3.556 1.00 0.00 C ATOM 0 H THR A 17 3.260 -11.756 -5.590 1.00 0.00 H new ATOM 0 HA THR A 17 0.744 -13.058 -6.209 1.00 0.00 H new ATOM 0 HB THR A 17 1.920 -12.141 -3.562 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.336 -13.676 -4.311 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.416 -13.825 -2.574 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.487 -12.564 -3.448 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.254 -14.167 -4.187 1.00 0.00 H new ATOM 209 N VAL A 18 -0.952 -11.311 -5.641 1.00 0.00 N ATOM 210 CA VAL A 18 -1.937 -10.243 -5.568 1.00 0.00 C ATOM 211 C VAL A 18 -2.489 -10.098 -4.153 1.00 0.00 C ATOM 212 O VAL A 18 -3.120 -11.015 -3.622 1.00 0.00 O ATOM 213 CB VAL A 18 -3.108 -10.499 -6.538 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.069 -9.322 -6.542 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.589 -10.766 -7.941 1.00 0.00 C ATOM 0 H VAL A 18 -1.348 -12.233 -5.823 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.429 -9.322 -5.852 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.648 -11.381 -6.196 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.888 -9.523 -7.233 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.469 -9.175 -5.539 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.541 -8.422 -6.857 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.429 -10.945 -8.612 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.023 -9.902 -8.290 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.942 -11.643 -7.929 1.00 0.00 H new ATOM 225 N VAL A 19 -2.236 -8.950 -3.542 1.00 0.00 N ATOM 226 CA VAL A 19 -2.721 -8.671 -2.201 1.00 0.00 C ATOM 227 C VAL A 19 -4.102 -8.034 -2.280 1.00 0.00 C ATOM 228 O VAL A 19 -4.305 -7.071 -3.021 1.00 0.00 O ATOM 229 CB VAL A 19 -1.771 -7.728 -1.435 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.157 -7.663 0.032 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.323 -8.175 -1.587 1.00 0.00 C ATOM 0 H VAL A 19 -1.694 -8.193 -3.958 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.769 -9.617 -1.661 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.864 -6.730 -1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.477 -6.993 0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.177 -7.289 0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.095 -8.660 0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.327 -7.494 -1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.210 -9.184 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.049 -8.167 -2.642 1.00 0.00 H new ATOM 241 N LYS A 20 -5.048 -8.578 -1.531 1.00 0.00 N ATOM 242 CA LYS A 20 -6.405 -8.057 -1.533 1.00 0.00 C ATOM 243 C LYS A 20 -6.642 -7.166 -0.324 1.00 0.00 C ATOM 244 O LYS A 20 -6.369 -7.559 0.812 1.00 0.00 O ATOM 245 CB LYS A 20 -7.423 -9.196 -1.528 1.00 0.00 C ATOM 246 CG LYS A 20 -8.841 -8.734 -1.824 1.00 0.00 C ATOM 247 CD LYS A 20 -9.873 -9.715 -1.294 1.00 0.00 C ATOM 248 CE LYS A 20 -9.631 -11.120 -1.819 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.748 -12.036 -1.474 1.00 0.00 N ATOM 0 H LYS A 20 -4.902 -9.378 -0.916 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.531 -7.468 -2.442 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.129 -9.941 -2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.404 -9.688 -0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.006 -7.754 -1.375 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.969 -8.617 -2.900 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.842 -9.723 -0.204 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.871 -9.385 -1.582 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.508 -11.088 -2.902 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.701 -11.508 -1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.547 -12.985 -1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.849 -12.086 -0.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.631 -11.679 -1.891 1.00 0.00 H new ATOM 263 N VAL A 21 -7.146 -5.968 -0.575 1.00 0.00 N ATOM 264 CA VAL A 21 -7.433 -5.015 0.487 1.00 0.00 C ATOM 265 C VAL A 21 -8.914 -4.652 0.474 1.00 0.00 C ATOM 266 O VAL A 21 -9.409 -4.100 -0.504 1.00 0.00 O ATOM 267 CB VAL A 21 -6.587 -3.728 0.334 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.948 -2.711 1.408 1.00 0.00 C ATOM 269 CG2 VAL A 21 -5.099 -4.057 0.378 1.00 0.00 C ATOM 0 H VAL A 21 -7.366 -5.630 -1.512 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.175 -5.485 1.436 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.811 -3.286 -0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.340 -1.815 1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.003 -2.450 1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.760 -3.139 2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.520 -3.140 0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.858 -4.527 1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.853 -4.740 -0.435 1.00 0.00 H new ATOM 279 N ALA A 22 -9.622 -4.985 1.549 1.00 0.00 N ATOM 280 CA ALA A 22 -11.044 -4.686 1.652 1.00 0.00 C ATOM 281 C ALA A 22 -11.337 -3.868 2.905 1.00 0.00 C ATOM 282 O ALA A 22 -11.601 -4.416 3.981 1.00 0.00 O ATOM 283 CB ALA A 22 -11.858 -5.970 1.652 1.00 0.00 C ATOM 0 H ALA A 22 -9.232 -5.463 2.362 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.331 -4.093 0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.918 -5.729 1.730 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.677 -6.516 0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.563 -6.588 2.501 1.00 0.00 H new ATOM 289 N GLY A 23 -11.272 -2.555 2.767 1.00 0.00 N ATOM 290 CA GLY A 23 -11.530 -1.680 3.890 1.00 0.00 C ATOM 291 C GLY A 23 -12.974 -1.232 3.937 1.00 0.00 C ATOM 292 O GLY A 23 -13.405 -0.429 3.113 1.00 0.00 O ATOM 0 H GLY A 23 -11.045 -2.077 1.895 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.280 -2.196 4.817 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.881 -0.807 3.826 1.00 0.00 H new ATOM 296 N ALA A 24 -13.720 -1.754 4.895 1.00 0.00 N ATOM 297 CA ALA A 24 -15.121 -1.404 5.048 1.00 0.00 C ATOM 298 C ALA A 24 -15.318 -0.509 6.262 1.00 0.00 C ATOM 299 O ALA A 24 -14.575 -0.602 7.240 1.00 0.00 O ATOM 300 CB ALA A 24 -15.967 -2.662 5.165 1.00 0.00 C ATOM 0 H ALA A 24 -13.376 -2.425 5.582 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.441 -0.853 4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.015 -2.386 5.279 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.847 -3.266 4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.646 -3.237 6.034 1.00 0.00 H new ATOM 306 N GLY A 25 -16.307 0.366 6.191 1.00 0.00 N ATOM 307 CA GLY A 25 -16.583 1.265 7.294 1.00 0.00 C ATOM 308 C GLY A 25 -15.647 2.455 7.312 1.00 0.00 C ATOM 309 O GLY A 25 -15.304 2.969 8.377 1.00 0.00 O ATOM 0 H GLY A 25 -16.926 0.471 5.388 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.613 1.616 7.225 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.494 0.721 8.234 1.00 0.00 H new ATOM 313 N LEU A 26 -15.237 2.894 6.132 1.00 0.00 N ATOM 314 CA LEU A 26 -14.335 4.029 6.009 1.00 0.00 C ATOM 315 C LEU A 26 -15.085 5.235 5.452 1.00 0.00 C ATOM 316 O LEU A 26 -16.298 5.174 5.247 1.00 0.00 O ATOM 317 CB LEU A 26 -13.157 3.674 5.103 1.00 0.00 C ATOM 318 CG LEU A 26 -12.255 2.550 5.621 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.208 2.188 4.582 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.584 2.962 6.921 1.00 0.00 C ATOM 0 H LEU A 26 -15.516 2.480 5.243 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.950 4.280 6.997 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.544 3.387 4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.550 4.567 4.956 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.874 1.674 5.812 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.576 1.388 4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.701 1.854 3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.595 3.062 4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.947 2.151 7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.978 3.852 6.752 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.345 3.179 7.671 1.00 0.00 H new ATOM 332 N GLN A 27 -14.366 6.321 5.201 1.00 0.00 N ATOM 333 CA GLN A 27 -14.980 7.533 4.676 1.00 0.00 C ATOM 334 C GLN A 27 -15.298 7.370 3.197 1.00 0.00 C ATOM 335 O GLN A 27 -14.401 7.145 2.382 1.00 0.00 O ATOM 336 CB GLN A 27 -14.054 8.731 4.886 1.00 0.00 C ATOM 337 CG GLN A 27 -14.748 10.071 4.727 1.00 0.00 C ATOM 338 CD GLN A 27 -15.885 10.258 5.710 1.00 0.00 C ATOM 339 OE1 GLN A 27 -15.887 9.681 6.797 1.00 0.00 O ATOM 340 NE2 GLN A 27 -16.859 11.071 5.337 1.00 0.00 N ATOM 0 H GLN A 27 -13.359 6.387 5.352 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.911 7.710 5.215 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.619 8.673 5.884 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.230 8.672 4.175 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.020 10.871 4.862 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.133 10.158 3.711 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -16.820 11.530 4.427 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.650 11.239 5.959 1.00 0.00 H new ATOM 349 N ALA A 28 -16.577 7.476 2.863 1.00 0.00 N ATOM 350 CA ALA A 28 -17.027 7.339 1.484 1.00 0.00 C ATOM 351 C ALA A 28 -16.670 8.574 0.666 1.00 0.00 C ATOM 352 O ALA A 28 -16.589 9.684 1.202 1.00 0.00 O ATOM 353 CB ALA A 28 -18.527 7.096 1.447 1.00 0.00 C ATOM 0 H ALA A 28 -17.325 7.657 3.532 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.517 6.483 1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -18.854 6.995 0.412 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.761 6.182 1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.043 7.937 1.910 1.00 0.00 H new ATOM 359 N GLY A 29 -16.451 8.381 -0.628 1.00 0.00 N ATOM 360 CA GLY A 29 -16.109 9.495 -1.492 1.00 0.00 C ATOM 361 C GLY A 29 -14.671 9.942 -1.321 1.00 0.00 C ATOM 362 O GLY A 29 -14.329 11.086 -1.616 1.00 0.00 O ATOM 0 H GLY A 29 -16.504 7.475 -1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.276 9.210 -2.531 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.774 10.332 -1.280 1.00 0.00 H new ATOM 366 N THR A 30 -13.828 9.048 -0.827 1.00 0.00 N ATOM 367 CA THR A 30 -12.422 9.352 -0.625 1.00 0.00 C ATOM 368 C THR A 30 -11.548 8.299 -1.302 1.00 0.00 C ATOM 369 O THR A 30 -11.890 7.114 -1.312 1.00 0.00 O ATOM 370 CB THR A 30 -12.079 9.417 0.876 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.100 10.144 1.574 1.00 0.00 O ATOM 372 CG2 THR A 30 -10.733 10.092 1.100 1.00 0.00 C ATOM 0 H THR A 30 -14.096 8.101 -0.558 1.00 0.00 H new ATOM 0 HA THR A 30 -12.225 10.327 -1.071 1.00 0.00 H new ATOM 0 HB THR A 30 -12.023 8.398 1.258 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.880 10.182 2.528 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.516 10.125 2.168 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.953 9.528 0.588 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.765 11.107 0.705 1.00 0.00 H new ATOM 380 N ALA A 31 -10.441 8.735 -1.882 1.00 0.00 N ATOM 381 CA ALA A 31 -9.521 7.835 -2.555 1.00 0.00 C ATOM 382 C ALA A 31 -8.411 7.399 -1.608 1.00 0.00 C ATOM 383 O ALA A 31 -7.887 8.199 -0.828 1.00 0.00 O ATOM 384 CB ALA A 31 -8.941 8.499 -3.791 1.00 0.00 C ATOM 0 H ALA A 31 -10.157 9.715 -1.899 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.071 6.947 -2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.253 7.812 -4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.748 8.760 -4.476 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.405 9.403 -3.501 1.00 0.00 H new ATOM 390 N TYR A 32 -8.061 6.127 -1.679 1.00 0.00 N ATOM 391 CA TYR A 32 -7.025 5.561 -0.833 1.00 0.00 C ATOM 392 C TYR A 32 -5.880 5.025 -1.684 1.00 0.00 C ATOM 393 O TYR A 32 -6.102 4.295 -2.649 1.00 0.00 O ATOM 394 CB TYR A 32 -7.600 4.441 0.044 1.00 0.00 C ATOM 395 CG TYR A 32 -8.726 4.894 0.947 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.016 5.051 0.453 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.499 5.184 2.284 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.046 5.478 1.267 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.525 5.613 3.106 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.796 5.762 2.590 1.00 0.00 C ATOM 401 OH TYR A 32 -11.821 6.197 3.403 1.00 0.00 O ATOM 0 H TYR A 32 -8.485 5.459 -2.323 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.642 6.349 -0.185 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.962 3.638 -0.598 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.800 4.024 0.656 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.216 4.835 -0.586 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.504 5.073 2.690 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.043 5.589 0.867 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.332 5.830 4.146 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.590 6.452 2.852 1.00 0.00 H new ATOM 411 N ASP A 33 -4.665 5.397 -1.321 1.00 0.00 N ATOM 412 CA ASP A 33 -3.480 4.963 -2.043 1.00 0.00 C ATOM 413 C ASP A 33 -2.999 3.633 -1.494 1.00 0.00 C ATOM 414 O ASP A 33 -2.633 3.531 -0.321 1.00 0.00 O ATOM 415 CB ASP A 33 -2.369 6.010 -1.936 1.00 0.00 C ATOM 416 CG ASP A 33 -2.386 6.991 -3.089 1.00 0.00 C ATOM 417 OD1 ASP A 33 -3.272 7.872 -3.116 1.00 0.00 O ATOM 418 OD2 ASP A 33 -1.509 6.898 -3.971 1.00 0.00 O ATOM 0 H ASP A 33 -4.472 6.004 -0.524 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.738 4.843 -3.095 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.476 6.555 -0.998 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.402 5.508 -1.904 1.00 0.00 H new ATOM 423 N VAL A 34 -3.027 2.610 -2.332 1.00 0.00 N ATOM 424 CA VAL A 34 -2.598 1.287 -1.922 1.00 0.00 C ATOM 425 C VAL A 34 -1.444 0.795 -2.786 1.00 0.00 C ATOM 426 O VAL A 34 -1.576 0.668 -4.006 1.00 0.00 O ATOM 427 CB VAL A 34 -3.753 0.266 -1.997 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.323 -1.079 -1.433 1.00 0.00 C ATOM 429 CG2 VAL A 34 -4.984 0.784 -1.266 1.00 0.00 C ATOM 0 H VAL A 34 -3.343 2.672 -3.300 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.268 1.370 -0.887 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.013 0.129 -3.047 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.153 -1.782 -1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.479 -1.461 -2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.028 -0.959 -0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.784 0.047 -1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.738 0.959 -0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.312 1.718 -1.722 1.00 0.00 H new ATOM 439 N GLY A 35 -0.311 0.545 -2.149 1.00 0.00 N ATOM 440 CA GLY A 35 0.851 0.047 -2.852 1.00 0.00 C ATOM 441 C GLY A 35 1.712 -0.799 -1.941 1.00 0.00 C ATOM 442 O GLY A 35 1.430 -0.900 -0.748 1.00 0.00 O ATOM 0 H GLY A 35 -0.176 0.680 -1.147 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.535 -0.544 -3.712 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.434 0.884 -3.237 1.00 0.00 H new ATOM 446 N GLN A 36 2.758 -1.414 -2.474 1.00 0.00 N ATOM 447 CA GLN A 36 3.647 -2.229 -1.650 1.00 0.00 C ATOM 448 C GLN A 36 4.690 -1.332 -0.989 1.00 0.00 C ATOM 449 O GLN A 36 5.892 -1.558 -1.103 1.00 0.00 O ATOM 450 CB GLN A 36 4.322 -3.325 -2.485 1.00 0.00 C ATOM 451 CG GLN A 36 4.988 -2.819 -3.756 1.00 0.00 C ATOM 452 CD GLN A 36 5.874 -3.857 -4.415 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.926 -3.950 -5.638 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.587 -4.638 -3.616 1.00 0.00 N ATOM 0 H GLN A 36 3.012 -1.367 -3.461 1.00 0.00 H new ATOM 0 HA GLN A 36 3.058 -2.723 -0.877 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.070 -3.825 -1.870 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.576 -4.074 -2.752 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.219 -2.505 -4.462 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.584 -1.937 -3.521 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.518 -4.531 -2.604 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.205 -5.346 -4.013 1.00 0.00 H new ATOM 463 N CYS A 37 4.199 -0.312 -0.298 1.00 0.00 N ATOM 464 CA CYS A 37 5.040 0.661 0.380 1.00 0.00 C ATOM 465 C CYS A 37 5.892 0.004 1.455 1.00 0.00 C ATOM 466 O CYS A 37 5.423 -0.258 2.560 1.00 0.00 O ATOM 467 CB CYS A 37 4.170 1.758 0.994 1.00 0.00 C ATOM 468 SG CYS A 37 2.632 2.078 0.067 1.00 0.00 S ATOM 0 H CYS A 37 3.200 -0.137 -0.192 1.00 0.00 H new ATOM 0 HA CYS A 37 5.713 1.101 -0.356 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.916 1.479 2.017 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.749 2.680 1.050 1.00 0.00 H new ATOM 473 N ALA A 38 7.140 -0.273 1.110 1.00 0.00 N ATOM 474 CA ALA A 38 8.072 -0.895 2.034 1.00 0.00 C ATOM 475 C ALA A 38 9.037 0.142 2.594 1.00 0.00 C ATOM 476 O ALA A 38 8.988 1.314 2.212 1.00 0.00 O ATOM 477 CB ALA A 38 8.830 -2.015 1.343 1.00 0.00 C ATOM 0 H ALA A 38 7.532 -0.075 0.189 1.00 0.00 H new ATOM 0 HA ALA A 38 7.509 -1.321 2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.525 -2.472 2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.125 -2.767 0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.385 -1.611 0.496 1.00 0.00 H new ATOM 483 N TRP A 39 9.905 -0.291 3.496 1.00 0.00 N ATOM 484 CA TRP A 39 10.878 0.598 4.111 1.00 0.00 C ATOM 485 C TRP A 39 11.894 1.102 3.090 1.00 0.00 C ATOM 486 O TRP A 39 12.637 0.321 2.490 1.00 0.00 O ATOM 487 CB TRP A 39 11.597 -0.118 5.254 1.00 0.00 C ATOM 488 CG TRP A 39 10.924 0.052 6.580 1.00 0.00 C ATOM 489 CD1 TRP A 39 9.607 -0.166 6.868 1.00 0.00 C ATOM 490 CD2 TRP A 39 11.537 0.476 7.802 1.00 0.00 C ATOM 491 NE1 TRP A 39 9.363 0.100 8.193 1.00 0.00 N ATOM 492 CE2 TRP A 39 10.532 0.496 8.788 1.00 0.00 C ATOM 493 CE3 TRP A 39 12.838 0.845 8.157 1.00 0.00 C ATOM 494 CZ2 TRP A 39 10.791 0.864 10.105 1.00 0.00 C ATOM 495 CZ3 TRP A 39 13.092 1.209 9.465 1.00 0.00 C ATOM 496 CH2 TRP A 39 12.073 1.218 10.425 1.00 0.00 C ATOM 0 H TRP A 39 9.955 -1.257 3.819 1.00 0.00 H new ATOM 0 HA TRP A 39 10.341 1.460 4.507 1.00 0.00 H new ATOM 0 HB2 TRP A 39 11.663 -1.181 5.022 1.00 0.00 H new ATOM 0 HB3 TRP A 39 12.618 0.257 5.323 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.865 -0.499 6.157 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.459 0.016 8.658 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.630 0.845 7.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.007 0.870 10.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 14.094 1.492 9.752 1.00 0.00 H new ATOM 0 HH2 TRP A 39 12.304 1.510 11.439 1.00 0.00 H new ATOM 507 N VAL A 40 11.912 2.411 2.894 1.00 0.00 N ATOM 508 CA VAL A 40 12.836 3.032 1.957 1.00 0.00 C ATOM 509 C VAL A 40 13.931 3.773 2.721 1.00 0.00 C ATOM 510 O VAL A 40 15.020 4.018 2.202 1.00 0.00 O ATOM 511 CB VAL A 40 12.103 4.007 1.001 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.549 5.210 1.759 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.019 4.457 -0.133 1.00 0.00 C ATOM 0 H VAL A 40 11.295 3.067 3.373 1.00 0.00 H new ATOM 0 HA VAL A 40 13.284 2.244 1.352 1.00 0.00 H new ATOM 0 HB VAL A 40 11.262 3.469 0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.040 5.876 1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.843 4.869 2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.367 5.745 2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.478 5.140 -0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.889 4.965 0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.344 3.588 -0.705 1.00 0.00 H new ATOM 523 N ASP A 41 13.627 4.106 3.970 1.00 0.00 N ATOM 524 CA ASP A 41 14.554 4.820 4.833 1.00 0.00 C ATOM 525 C ASP A 41 14.228 4.506 6.286 1.00 0.00 C ATOM 526 O ASP A 41 13.247 3.813 6.566 1.00 0.00 O ATOM 527 CB ASP A 41 14.462 6.334 4.593 1.00 0.00 C ATOM 528 CG ASP A 41 15.783 7.049 4.811 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.560 6.633 5.695 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.050 8.038 4.095 1.00 0.00 O ATOM 0 H ASP A 41 12.733 3.888 4.410 1.00 0.00 H new ATOM 0 HA ASP A 41 15.570 4.498 4.605 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.121 6.515 3.574 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.711 6.757 5.260 1.00 0.00 H new ATOM 535 N THR A 42 15.037 5.021 7.197 1.00 0.00 N ATOM 536 CA THR A 42 14.840 4.799 8.622 1.00 0.00 C ATOM 537 C THR A 42 13.535 5.431 9.103 1.00 0.00 C ATOM 538 O THR A 42 13.478 6.628 9.379 1.00 0.00 O ATOM 539 CB THR A 42 16.014 5.375 9.432 1.00 0.00 C ATOM 540 OG1 THR A 42 17.252 5.053 8.786 1.00 0.00 O ATOM 541 CG2 THR A 42 16.020 4.823 10.848 1.00 0.00 C ATOM 0 H THR A 42 15.845 5.602 6.973 1.00 0.00 H new ATOM 0 HA THR A 42 14.789 3.722 8.780 1.00 0.00 H new ATOM 0 HB THR A 42 15.896 6.457 9.483 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.997 5.423 9.304 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.860 5.246 11.400 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.088 5.089 11.346 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.117 3.738 10.815 1.00 0.00 H new ATOM 549 N GLY A 43 12.486 4.622 9.173 1.00 0.00 N ATOM 550 CA GLY A 43 11.195 5.105 9.621 1.00 0.00 C ATOM 551 C GLY A 43 10.386 5.716 8.497 1.00 0.00 C ATOM 552 O GLY A 43 9.342 6.327 8.731 1.00 0.00 O ATOM 0 H GLY A 43 12.507 3.633 8.925 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.635 4.281 10.062 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.340 5.847 10.406 1.00 0.00 H new ATOM 556 N VAL A 44 10.861 5.544 7.274 1.00 0.00 N ATOM 557 CA VAL A 44 10.180 6.086 6.109 1.00 0.00 C ATOM 558 C VAL A 44 9.861 4.975 5.121 1.00 0.00 C ATOM 559 O VAL A 44 10.727 4.170 4.772 1.00 0.00 O ATOM 560 CB VAL A 44 11.018 7.168 5.393 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.173 7.914 4.368 1.00 0.00 C ATOM 562 CG2 VAL A 44 11.630 8.135 6.396 1.00 0.00 C ATOM 0 H VAL A 44 11.717 5.032 7.062 1.00 0.00 H new ATOM 0 HA VAL A 44 9.260 6.548 6.467 1.00 0.00 H new ATOM 0 HB VAL A 44 11.832 6.671 4.866 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.783 8.671 3.876 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.798 7.211 3.625 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.333 8.394 4.869 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.215 8.887 5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.836 8.624 6.961 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.278 7.587 7.081 1.00 0.00 H new ATOM 572 N LEU A 45 8.616 4.931 4.686 1.00 0.00 N ATOM 573 CA LEU A 45 8.165 3.930 3.734 1.00 0.00 C ATOM 574 C LEU A 45 7.873 4.601 2.404 1.00 0.00 C ATOM 575 O LEU A 45 7.685 5.815 2.356 1.00 0.00 O ATOM 576 CB LEU A 45 6.919 3.207 4.258 1.00 0.00 C ATOM 577 CG LEU A 45 7.183 2.164 5.347 1.00 0.00 C ATOM 578 CD1 LEU A 45 7.414 2.828 6.698 1.00 0.00 C ATOM 579 CD2 LEU A 45 6.030 1.180 5.429 1.00 0.00 C ATOM 0 H LEU A 45 7.890 5.585 4.980 1.00 0.00 H new ATOM 0 HA LEU A 45 8.950 3.186 3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.224 3.950 4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.423 2.717 3.420 1.00 0.00 H new ATOM 0 HG LEU A 45 8.089 1.619 5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.599 2.063 7.452 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.277 3.491 6.635 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.532 3.405 6.975 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.233 0.445 6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.111 1.716 5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.917 0.672 4.471 1.00 0.00 H new ATOM 591 N ALA A 46 7.855 3.828 1.329 1.00 0.00 N ATOM 592 CA ALA A 46 7.595 4.383 0.010 1.00 0.00 C ATOM 593 C ALA A 46 6.821 3.403 -0.863 1.00 0.00 C ATOM 594 O ALA A 46 7.145 2.217 -0.913 1.00 0.00 O ATOM 595 CB ALA A 46 8.901 4.775 -0.653 1.00 0.00 C ATOM 0 H ALA A 46 8.016 2.821 1.343 1.00 0.00 H new ATOM 0 HA ALA A 46 6.977 5.273 0.130 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.698 5.190 -1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.409 5.522 -0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.537 3.895 -0.753 1.00 0.00 H new ATOM 601 N CYS A 47 5.808 3.910 -1.555 1.00 0.00 N ATOM 602 CA CYS A 47 4.965 3.082 -2.414 1.00 0.00 C ATOM 603 C CYS A 47 5.477 3.058 -3.852 1.00 0.00 C ATOM 604 O CYS A 47 6.227 3.941 -4.265 1.00 0.00 O ATOM 605 CB CYS A 47 3.532 3.608 -2.394 1.00 0.00 C ATOM 606 SG CYS A 47 2.888 3.930 -0.722 1.00 0.00 S ATOM 0 H CYS A 47 5.548 4.896 -1.539 1.00 0.00 H new ATOM 0 HA CYS A 47 4.995 2.064 -2.026 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.485 4.529 -2.974 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.883 2.886 -2.890 1.00 0.00 H new ATOM 611 N ASN A 48 5.053 2.047 -4.605 1.00 0.00 N ATOM 612 CA ASN A 48 5.457 1.891 -5.999 1.00 0.00 C ATOM 613 C ASN A 48 4.445 2.553 -6.939 1.00 0.00 C ATOM 614 O ASN A 48 3.279 2.174 -6.979 1.00 0.00 O ATOM 615 CB ASN A 48 5.622 0.402 -6.357 1.00 0.00 C ATOM 616 CG ASN A 48 4.362 -0.428 -6.149 1.00 0.00 C ATOM 617 OD1 ASN A 48 3.586 -0.197 -5.217 1.00 0.00 O ATOM 618 ND2 ASN A 48 4.156 -1.416 -7.007 1.00 0.00 N ATOM 0 H ASN A 48 4.424 1.318 -4.269 1.00 0.00 H new ATOM 0 HA ASN A 48 6.420 2.387 -6.125 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.930 0.321 -7.399 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.426 -0.019 -5.754 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.336 -2.014 -6.909 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.818 -1.579 -7.766 1.00 0.00 H new ATOM 625 N PRO A 49 4.877 3.553 -7.716 1.00 0.00 N ATOM 626 CA PRO A 49 4.004 4.272 -8.643 1.00 0.00 C ATOM 627 C PRO A 49 3.885 3.584 -9.999 1.00 0.00 C ATOM 628 O PRO A 49 3.106 4.007 -10.856 1.00 0.00 O ATOM 629 CB PRO A 49 4.723 5.607 -8.784 1.00 0.00 C ATOM 630 CG PRO A 49 6.165 5.239 -8.709 1.00 0.00 C ATOM 631 CD PRO A 49 6.252 4.084 -7.745 1.00 0.00 C ATOM 0 HA PRO A 49 2.978 4.340 -8.283 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.482 6.094 -9.729 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.444 6.298 -7.989 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.547 4.957 -9.690 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.765 6.081 -8.363 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.965 3.332 -8.083 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.577 4.410 -6.757 1.00 0.00 H new ATOM 639 N ALA A 50 4.649 2.518 -10.189 1.00 0.00 N ATOM 640 CA ALA A 50 4.634 1.789 -11.448 1.00 0.00 C ATOM 641 C ALA A 50 3.684 0.595 -11.406 1.00 0.00 C ATOM 642 O ALA A 50 3.466 -0.064 -12.423 1.00 0.00 O ATOM 643 CB ALA A 50 6.042 1.334 -11.806 1.00 0.00 C ATOM 0 H ALA A 50 5.286 2.139 -9.488 1.00 0.00 H new ATOM 0 HA ALA A 50 4.268 2.468 -12.218 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.019 0.789 -12.750 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.691 2.204 -11.904 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.425 0.683 -11.020 1.00 0.00 H new ATOM 649 N ASP A 51 3.104 0.324 -10.240 1.00 0.00 N ATOM 650 CA ASP A 51 2.184 -0.804 -10.106 1.00 0.00 C ATOM 651 C ASP A 51 1.354 -0.699 -8.830 1.00 0.00 C ATOM 652 O ASP A 51 1.382 -1.589 -7.976 1.00 0.00 O ATOM 653 CB ASP A 51 2.951 -2.131 -10.125 1.00 0.00 C ATOM 654 CG ASP A 51 2.073 -3.303 -10.513 1.00 0.00 C ATOM 655 OD1 ASP A 51 1.044 -3.090 -11.191 1.00 0.00 O ATOM 656 OD2 ASP A 51 2.403 -4.446 -10.154 1.00 0.00 O ATOM 0 H ASP A 51 3.251 0.861 -9.385 1.00 0.00 H new ATOM 0 HA ASP A 51 1.503 -0.775 -10.957 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.782 -2.056 -10.826 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.380 -2.313 -9.140 1.00 0.00 H new ATOM 661 N PHE A 52 0.614 0.391 -8.703 1.00 0.00 N ATOM 662 CA PHE A 52 -0.233 0.609 -7.535 1.00 0.00 C ATOM 663 C PHE A 52 -1.682 0.783 -7.968 1.00 0.00 C ATOM 664 O PHE A 52 -1.971 0.847 -9.164 1.00 0.00 O ATOM 665 CB PHE A 52 0.237 1.832 -6.732 1.00 0.00 C ATOM 666 CG PHE A 52 -0.100 3.155 -7.364 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.532 3.566 -8.524 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.048 3.987 -6.794 1.00 0.00 C ATOM 669 CE1 PHE A 52 0.224 4.777 -9.107 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.361 5.202 -7.372 1.00 0.00 C ATOM 671 CZ PHE A 52 -0.723 5.598 -8.530 1.00 0.00 C ATOM 0 H PHE A 52 0.581 1.141 -9.394 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.158 -0.265 -6.889 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.210 1.793 -5.738 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.317 1.771 -6.599 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.277 2.930 -8.979 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.549 3.683 -5.887 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.724 5.083 -10.014 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.104 5.841 -6.918 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.964 6.548 -8.983 1.00 0.00 H new ATOM 681 N SER A 53 -2.591 0.865 -7.006 1.00 0.00 N ATOM 682 CA SER A 53 -4.003 1.031 -7.318 1.00 0.00 C ATOM 683 C SER A 53 -4.629 2.141 -6.476 1.00 0.00 C ATOM 684 O SER A 53 -4.581 2.103 -5.244 1.00 0.00 O ATOM 685 CB SER A 53 -4.756 -0.283 -7.090 1.00 0.00 C ATOM 686 OG SER A 53 -4.148 -1.355 -7.797 1.00 0.00 O ATOM 0 H SER A 53 -2.378 0.820 -6.010 1.00 0.00 H new ATOM 0 HA SER A 53 -4.082 1.313 -8.368 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.777 -0.513 -6.025 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.791 -0.172 -7.413 1.00 0.00 H new ATOM 0 HG SER A 53 -4.199 -2.172 -7.259 1.00 0.00 H new ATOM 692 N SER A 54 -5.186 3.139 -7.147 1.00 0.00 N ATOM 693 CA SER A 54 -5.846 4.247 -6.470 1.00 0.00 C ATOM 694 C SER A 54 -7.334 3.934 -6.308 1.00 0.00 C ATOM 695 O SER A 54 -8.161 4.328 -7.135 1.00 0.00 O ATOM 696 CB SER A 54 -5.654 5.538 -7.269 1.00 0.00 C ATOM 697 OG SER A 54 -4.538 5.433 -8.143 1.00 0.00 O ATOM 0 H SER A 54 -5.194 3.204 -8.165 1.00 0.00 H new ATOM 0 HA SER A 54 -5.404 4.383 -5.483 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.554 5.750 -7.846 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.508 6.375 -6.586 1.00 0.00 H new ATOM 0 HG SER A 54 -3.720 5.317 -7.616 1.00 0.00 H new ATOM 703 N VAL A 55 -7.661 3.208 -5.248 1.00 0.00 N ATOM 704 CA VAL A 55 -9.037 2.802 -4.978 1.00 0.00 C ATOM 705 C VAL A 55 -9.819 3.907 -4.267 1.00 0.00 C ATOM 706 O VAL A 55 -9.240 4.749 -3.587 1.00 0.00 O ATOM 707 CB VAL A 55 -9.062 1.509 -4.127 1.00 0.00 C ATOM 708 CG1 VAL A 55 -8.556 1.773 -2.714 1.00 0.00 C ATOM 709 CG2 VAL A 55 -10.454 0.892 -4.105 1.00 0.00 C ATOM 0 H VAL A 55 -6.987 2.885 -4.554 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.517 2.611 -5.938 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.388 0.791 -4.594 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.584 0.848 -2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.531 2.142 -2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.190 2.519 -2.234 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.441 -0.014 -3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.161 1.603 -3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.759 0.645 -5.122 1.00 0.00 H new ATOM 719 N THR A 56 -11.128 3.915 -4.447 1.00 0.00 N ATOM 720 CA THR A 56 -11.981 4.899 -3.807 1.00 0.00 C ATOM 721 C THR A 56 -13.082 4.197 -3.019 1.00 0.00 C ATOM 722 O THR A 56 -13.570 3.143 -3.429 1.00 0.00 O ATOM 723 CB THR A 56 -12.604 5.873 -4.840 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.427 6.848 -4.180 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.432 5.125 -5.877 1.00 0.00 C ATOM 0 H THR A 56 -11.625 3.246 -5.035 1.00 0.00 H new ATOM 0 HA THR A 56 -11.364 5.486 -3.127 1.00 0.00 H new ATOM 0 HB THR A 56 -11.784 6.378 -5.350 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.061 7.036 -3.290 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.855 5.836 -6.587 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.796 4.417 -6.408 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.238 4.586 -5.379 1.00 0.00 H new ATOM 733 N ALA A 57 -13.439 4.758 -1.872 1.00 0.00 N ATOM 734 CA ALA A 57 -14.489 4.185 -1.046 1.00 0.00 C ATOM 735 C ALA A 57 -15.842 4.421 -1.695 1.00 0.00 C ATOM 736 O ALA A 57 -16.175 5.552 -2.053 1.00 0.00 O ATOM 737 CB ALA A 57 -14.459 4.776 0.353 1.00 0.00 C ATOM 0 H ALA A 57 -13.018 5.607 -1.494 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.319 3.112 -0.961 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.254 4.332 0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.495 4.566 0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.607 5.854 0.296 1.00 0.00 H new ATOM 743 N ASP A 58 -16.607 3.351 -1.848 1.00 0.00 N ATOM 744 CA ASP A 58 -17.922 3.423 -2.474 1.00 0.00 C ATOM 745 C ASP A 58 -18.947 4.075 -1.551 1.00 0.00 C ATOM 746 O ASP A 58 -18.620 4.516 -0.448 1.00 0.00 O ATOM 747 CB ASP A 58 -18.397 2.025 -2.909 1.00 0.00 C ATOM 748 CG ASP A 58 -18.723 1.081 -1.755 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.483 1.434 -0.584 1.00 0.00 O ATOM 750 OD2 ASP A 58 -19.226 -0.031 -2.023 1.00 0.00 O ATOM 0 H ASP A 58 -16.339 2.415 -1.545 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.829 4.049 -3.361 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.283 2.134 -3.534 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.625 1.569 -3.528 1.00 0.00 H new ATOM 755 N ALA A 59 -20.198 4.115 -2.005 1.00 0.00 N ATOM 756 CA ALA A 59 -21.284 4.716 -1.236 1.00 0.00 C ATOM 757 C ALA A 59 -21.609 3.916 0.028 1.00 0.00 C ATOM 758 O ALA A 59 -22.498 4.288 0.791 1.00 0.00 O ATOM 759 CB ALA A 59 -22.522 4.852 -2.104 1.00 0.00 C ATOM 0 H ALA A 59 -20.485 3.736 -2.907 1.00 0.00 H new ATOM 0 HA ALA A 59 -20.952 5.704 -0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.327 5.301 -1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.297 5.486 -2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -22.832 3.867 -2.452 1.00 0.00 H new ATOM 765 N ASN A 60 -20.899 2.816 0.241 1.00 0.00 N ATOM 766 CA ASN A 60 -21.106 1.985 1.419 1.00 0.00 C ATOM 767 C ASN A 60 -19.953 2.193 2.388 1.00 0.00 C ATOM 768 O ASN A 60 -19.943 1.648 3.492 1.00 0.00 O ATOM 769 CB ASN A 60 -21.208 0.503 1.035 1.00 0.00 C ATOM 770 CG ASN A 60 -22.517 0.162 0.358 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.545 0.781 0.624 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.490 -0.821 -0.530 1.00 0.00 N ATOM 0 H ASN A 60 -20.172 2.478 -0.389 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.043 2.276 1.893 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.383 0.247 0.370 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.097 -0.108 1.931 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.343 -1.088 -1.021 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.616 -1.310 -0.723 1.00 0.00 H new ATOM 779 N GLY A 61 -18.985 2.994 1.961 1.00 0.00 N ATOM 780 CA GLY A 61 -17.825 3.268 2.778 1.00 0.00 C ATOM 781 C GLY A 61 -16.835 2.126 2.732 1.00 0.00 C ATOM 782 O GLY A 61 -16.083 1.902 3.679 1.00 0.00 O ATOM 0 H GLY A 61 -18.986 3.461 1.054 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.343 4.183 2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.136 3.440 3.808 1.00 0.00 H new ATOM 786 N SER A 62 -16.839 1.402 1.625 1.00 0.00 N ATOM 787 CA SER A 62 -15.953 0.263 1.454 1.00 0.00 C ATOM 788 C SER A 62 -15.037 0.452 0.254 1.00 0.00 C ATOM 789 O SER A 62 -15.443 1.000 -0.771 1.00 0.00 O ATOM 790 CB SER A 62 -16.778 -1.010 1.294 1.00 0.00 C ATOM 791 OG SER A 62 -18.162 -0.708 1.229 1.00 0.00 O ATOM 0 H SER A 62 -17.449 1.584 0.828 1.00 0.00 H new ATOM 0 HA SER A 62 -15.326 0.179 2.341 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.473 -1.535 0.389 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.586 -1.681 2.132 1.00 0.00 H new ATOM 0 HG SER A 62 -18.326 -0.079 0.495 1.00 0.00 H new ATOM 797 N ALA A 63 -13.802 0.002 0.392 1.00 0.00 N ATOM 798 CA ALA A 63 -12.826 0.116 -0.675 1.00 0.00 C ATOM 799 C ALA A 63 -12.045 -1.182 -0.835 1.00 0.00 C ATOM 800 O ALA A 63 -11.194 -1.514 -0.008 1.00 0.00 O ATOM 801 CB ALA A 63 -11.879 1.281 -0.412 1.00 0.00 C ATOM 0 H ALA A 63 -13.451 -0.448 1.238 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.360 0.309 -1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.154 1.351 -1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.450 2.208 -0.355 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.355 1.119 0.530 1.00 0.00 H new ATOM 807 N SER A 64 -12.366 -1.930 -1.879 1.00 0.00 N ATOM 808 CA SER A 64 -11.683 -3.179 -2.162 1.00 0.00 C ATOM 809 C SER A 64 -10.793 -3.015 -3.390 1.00 0.00 C ATOM 810 O SER A 64 -11.249 -2.552 -4.437 1.00 0.00 O ATOM 811 CB SER A 64 -12.700 -4.304 -2.374 1.00 0.00 C ATOM 812 OG SER A 64 -13.961 -3.782 -2.758 1.00 0.00 O ATOM 0 H SER A 64 -13.099 -1.691 -2.546 1.00 0.00 H new ATOM 0 HA SER A 64 -11.056 -3.444 -1.311 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.337 -4.988 -3.141 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.806 -4.882 -1.456 1.00 0.00 H new ATOM 0 HG SER A 64 -14.594 -4.519 -2.889 1.00 0.00 H new ATOM 818 N THR A 65 -9.529 -3.379 -3.257 1.00 0.00 N ATOM 819 CA THR A 65 -8.592 -3.255 -4.357 1.00 0.00 C ATOM 820 C THR A 65 -7.555 -4.380 -4.333 1.00 0.00 C ATOM 821 O THR A 65 -7.484 -5.154 -3.372 1.00 0.00 O ATOM 822 CB THR A 65 -7.888 -1.882 -4.330 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.268 -1.619 -5.590 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.850 -1.814 -3.221 1.00 0.00 C ATOM 0 H THR A 65 -9.130 -3.762 -2.400 1.00 0.00 H new ATOM 0 HA THR A 65 -9.162 -3.336 -5.282 1.00 0.00 H new ATOM 0 HB THR A 65 -8.646 -1.123 -4.135 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.966 -0.687 -5.618 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.372 -0.834 -3.229 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.335 -1.973 -2.258 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.097 -2.586 -3.380 1.00 0.00 H new ATOM 832 N SER A 66 -6.766 -4.467 -5.398 1.00 0.00 N ATOM 833 CA SER A 66 -5.737 -5.486 -5.520 1.00 0.00 C ATOM 834 C SER A 66 -4.369 -4.848 -5.762 1.00 0.00 C ATOM 835 O SER A 66 -4.271 -3.783 -6.377 1.00 0.00 O ATOM 836 CB SER A 66 -6.094 -6.431 -6.667 1.00 0.00 C ATOM 837 OG SER A 66 -7.395 -6.966 -6.493 1.00 0.00 O ATOM 0 H SER A 66 -6.823 -3.835 -6.196 1.00 0.00 H new ATOM 0 HA SER A 66 -5.684 -6.051 -4.589 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.040 -5.896 -7.615 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.366 -7.241 -6.716 1.00 0.00 H new ATOM 0 HG SER A 66 -7.604 -7.567 -7.239 1.00 0.00 H new ATOM 843 N LEU A 67 -3.320 -5.487 -5.256 1.00 0.00 N ATOM 844 CA LEU A 67 -1.965 -4.979 -5.419 1.00 0.00 C ATOM 845 C LEU A 67 -1.005 -6.106 -5.802 1.00 0.00 C ATOM 846 O LEU A 67 -1.029 -7.179 -5.204 1.00 0.00 O ATOM 847 CB LEU A 67 -1.498 -4.314 -4.118 1.00 0.00 C ATOM 848 CG LEU A 67 -0.500 -3.161 -4.273 1.00 0.00 C ATOM 849 CD1 LEU A 67 0.911 -3.681 -4.516 1.00 0.00 C ATOM 850 CD2 LEU A 67 -0.930 -2.226 -5.391 1.00 0.00 C ATOM 0 H LEU A 67 -3.383 -6.358 -4.729 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.967 -4.241 -6.221 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.375 -3.941 -3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.045 -5.077 -3.485 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.491 -2.599 -3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.596 -2.840 -4.622 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.222 -4.298 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.927 -4.278 -5.428 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.208 -1.415 -5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.978 -2.779 -6.329 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.912 -1.813 -5.162 1.00 0.00 H new ATOM 862 N THR A 68 -0.170 -5.857 -6.798 1.00 0.00 N ATOM 863 CA THR A 68 0.807 -6.839 -7.244 1.00 0.00 C ATOM 864 C THR A 68 2.165 -6.543 -6.610 1.00 0.00 C ATOM 865 O THR A 68 2.764 -5.497 -6.869 1.00 0.00 O ATOM 866 CB THR A 68 0.942 -6.829 -8.780 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.360 -6.773 -9.382 1.00 0.00 O ATOM 868 CG2 THR A 68 1.674 -8.069 -9.274 1.00 0.00 C ATOM 0 H THR A 68 -0.149 -4.978 -7.316 1.00 0.00 H new ATOM 0 HA THR A 68 0.463 -7.826 -6.934 1.00 0.00 H new ATOM 0 HB THR A 68 1.520 -5.949 -9.064 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.269 -6.765 -10.358 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.755 -8.035 -10.360 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.672 -8.101 -8.837 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.120 -8.960 -8.979 1.00 0.00 H new ATOM 876 N VAL A 69 2.635 -7.447 -5.759 1.00 0.00 N ATOM 877 CA VAL A 69 3.914 -7.261 -5.091 1.00 0.00 C ATOM 878 C VAL A 69 5.075 -7.641 -6.013 1.00 0.00 C ATOM 879 O VAL A 69 5.205 -8.792 -6.434 1.00 0.00 O ATOM 880 CB VAL A 69 3.991 -8.059 -3.759 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.818 -9.556 -3.983 1.00 0.00 C ATOM 882 CG2 VAL A 69 5.298 -7.771 -3.028 1.00 0.00 C ATOM 0 H VAL A 69 2.151 -8.312 -5.517 1.00 0.00 H new ATOM 0 HA VAL A 69 3.999 -6.202 -4.847 1.00 0.00 H new ATOM 0 HB VAL A 69 3.163 -7.725 -3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.878 -10.076 -3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.846 -9.746 -4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.606 -9.918 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.329 -8.341 -2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.139 -8.060 -3.659 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.362 -6.706 -2.803 1.00 0.00 H new ATOM 892 N ARG A 70 5.894 -6.654 -6.349 1.00 0.00 N ATOM 893 CA ARG A 70 7.051 -6.868 -7.211 1.00 0.00 C ATOM 894 C ARG A 70 8.297 -7.024 -6.347 1.00 0.00 C ATOM 895 O ARG A 70 8.282 -6.668 -5.163 1.00 0.00 O ATOM 896 CB ARG A 70 7.238 -5.692 -8.186 1.00 0.00 C ATOM 897 CG ARG A 70 5.941 -5.041 -8.642 1.00 0.00 C ATOM 898 CD ARG A 70 5.074 -5.988 -9.447 1.00 0.00 C ATOM 899 NE ARG A 70 5.674 -6.342 -10.732 1.00 0.00 N ATOM 900 CZ ARG A 70 5.051 -6.231 -11.908 1.00 0.00 C ATOM 901 NH1 ARG A 70 3.831 -5.707 -11.982 1.00 0.00 N ATOM 902 NH2 ARG A 70 5.656 -6.647 -13.012 1.00 0.00 N ATOM 0 H ARG A 70 5.778 -5.690 -6.036 1.00 0.00 H new ATOM 0 HA ARG A 70 6.888 -7.772 -7.797 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.861 -4.936 -7.709 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.781 -6.046 -9.063 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.385 -4.695 -7.771 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.170 -4.162 -9.244 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.899 -6.896 -8.869 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.101 -5.527 -9.619 1.00 0.00 H new ATOM 0 HE ARG A 70 6.630 -6.697 -10.730 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.362 -5.385 -11.135 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.364 -5.627 -12.885 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.592 -7.049 -12.960 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.185 -6.565 -13.913 1.00 0.00 H new ATOM 916 N ARG A 71 9.370 -7.544 -6.932 1.00 0.00 N ATOM 917 CA ARG A 71 10.616 -7.741 -6.202 1.00 0.00 C ATOM 918 C ARG A 71 11.332 -6.413 -5.982 1.00 0.00 C ATOM 919 O ARG A 71 11.792 -6.120 -4.880 1.00 0.00 O ATOM 920 CB ARG A 71 11.533 -8.709 -6.956 1.00 0.00 C ATOM 921 CG ARG A 71 12.754 -9.141 -6.153 1.00 0.00 C ATOM 922 CD ARG A 71 12.399 -10.195 -5.112 1.00 0.00 C ATOM 923 NE ARG A 71 12.057 -11.473 -5.731 1.00 0.00 N ATOM 924 CZ ARG A 71 12.206 -12.655 -5.141 1.00 0.00 C ATOM 925 NH1 ARG A 71 12.671 -12.732 -3.898 1.00 0.00 N ATOM 926 NH2 ARG A 71 11.871 -13.761 -5.794 1.00 0.00 N ATOM 0 H ARG A 71 9.402 -7.836 -7.909 1.00 0.00 H new ATOM 0 HA ARG A 71 10.372 -8.170 -5.230 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.962 -9.594 -7.237 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.865 -8.237 -7.881 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.512 -9.537 -6.828 1.00 0.00 H new ATOM 0 HG3 ARG A 71 13.190 -8.273 -5.658 1.00 0.00 H new ATOM 0 HD2 ARG A 71 13.240 -10.333 -4.433 1.00 0.00 H new ATOM 0 HD3 ARG A 71 11.559 -9.845 -4.512 1.00 0.00 H new ATOM 0 HE ARG A 71 11.679 -11.458 -6.678 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.916 -11.881 -3.391 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.783 -13.642 -3.451 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.502 -13.701 -6.743 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.983 -14.671 -5.347 1.00 0.00 H new ATOM 940 N SER A 72 11.430 -5.618 -7.030 1.00 0.00 N ATOM 941 CA SER A 72 12.087 -4.325 -6.948 1.00 0.00 C ATOM 942 C SER A 72 11.166 -3.246 -7.509 1.00 0.00 C ATOM 943 O SER A 72 10.540 -3.446 -8.553 1.00 0.00 O ATOM 944 CB SER A 72 13.417 -4.363 -7.709 1.00 0.00 C ATOM 945 OG SER A 72 14.090 -5.596 -7.491 1.00 0.00 O ATOM 0 H SER A 72 11.061 -5.845 -7.953 1.00 0.00 H new ATOM 0 HA SER A 72 12.300 -4.090 -5.905 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.235 -4.227 -8.775 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.050 -3.536 -7.386 1.00 0.00 H new ATOM 0 HG SER A 72 14.496 -5.594 -6.599 1.00 0.00 H new ATOM 951 N PHE A 73 11.075 -2.113 -6.823 1.00 0.00 N ATOM 952 CA PHE A 73 10.198 -1.033 -7.262 1.00 0.00 C ATOM 953 C PHE A 73 10.733 0.329 -6.830 1.00 0.00 C ATOM 954 O PHE A 73 11.607 0.422 -5.969 1.00 0.00 O ATOM 955 CB PHE A 73 8.798 -1.239 -6.679 1.00 0.00 C ATOM 956 CG PHE A 73 8.760 -1.212 -5.169 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.067 -2.344 -4.430 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.413 -0.052 -4.491 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.027 -2.321 -3.049 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.373 -0.023 -3.112 1.00 0.00 C ATOM 961 CZ PHE A 73 8.679 -1.159 -2.390 1.00 0.00 C ATOM 0 H PHE A 73 11.593 -1.918 -5.966 1.00 0.00 H new ATOM 0 HA PHE A 73 10.156 -1.053 -8.351 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.136 -0.464 -7.064 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.406 -2.195 -7.027 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.341 -3.256 -4.940 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.171 0.840 -5.050 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.268 -3.211 -2.486 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.103 0.888 -2.598 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.646 -1.139 -1.311 1.00 0.00 H new ATOM 971 N GLU A 74 10.202 1.380 -7.439 1.00 0.00 N ATOM 972 CA GLU A 74 10.591 2.739 -7.108 1.00 0.00 C ATOM 973 C GLU A 74 9.776 3.222 -5.918 1.00 0.00 C ATOM 974 O GLU A 74 8.562 3.032 -5.872 1.00 0.00 O ATOM 975 CB GLU A 74 10.361 3.667 -8.302 1.00 0.00 C ATOM 976 CG GLU A 74 10.903 3.128 -9.619 1.00 0.00 C ATOM 977 CD GLU A 74 9.841 2.443 -10.456 1.00 0.00 C ATOM 978 OE1 GLU A 74 9.132 1.565 -9.930 1.00 0.00 O ATOM 979 OE2 GLU A 74 9.714 2.789 -11.649 1.00 0.00 O ATOM 0 H GLU A 74 9.495 1.313 -8.171 1.00 0.00 H new ATOM 0 HA GLU A 74 11.652 2.752 -6.857 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.291 3.848 -8.408 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.828 4.630 -8.096 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.336 3.948 -10.191 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.708 2.422 -9.414 1.00 0.00 H new ATOM 986 N GLY A 75 10.446 3.829 -4.955 1.00 0.00 N ATOM 987 CA GLY A 75 9.767 4.317 -3.778 1.00 0.00 C ATOM 988 C GLY A 75 9.310 5.751 -3.927 1.00 0.00 C ATOM 989 O GLY A 75 10.127 6.651 -4.158 1.00 0.00 O ATOM 0 H GLY A 75 11.453 3.993 -4.968 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.904 3.684 -3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.433 4.239 -2.919 1.00 0.00 H new ATOM 993 N PHE A 76 8.014 5.973 -3.770 1.00 0.00 N ATOM 994 CA PHE A 76 7.444 7.303 -3.899 1.00 0.00 C ATOM 995 C PHE A 76 6.713 7.698 -2.626 1.00 0.00 C ATOM 996 O PHE A 76 6.112 6.855 -1.953 1.00 0.00 O ATOM 997 CB PHE A 76 6.483 7.362 -5.090 1.00 0.00 C ATOM 998 CG PHE A 76 7.135 7.775 -6.379 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.233 7.089 -6.870 1.00 0.00 C ATOM 1000 CD2 PHE A 76 6.638 8.844 -7.105 1.00 0.00 C ATOM 1001 CE1 PHE A 76 8.827 7.466 -8.059 1.00 0.00 C ATOM 1002 CE2 PHE A 76 7.227 9.224 -8.292 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.320 8.533 -8.772 1.00 0.00 C ATOM 0 H PHE A 76 7.335 5.244 -3.552 1.00 0.00 H new ATOM 0 HA PHE A 76 8.260 8.006 -4.068 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.025 6.382 -5.224 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.679 8.061 -4.861 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.629 6.250 -6.317 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.779 9.386 -6.737 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.686 6.927 -8.430 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.833 10.063 -8.846 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.778 8.827 -9.705 1.00 0.00 H new ATOM 1013 N LEU A 77 6.778 8.978 -2.298 1.00 0.00 N ATOM 1014 CA LEU A 77 6.122 9.500 -1.116 1.00 0.00 C ATOM 1015 C LEU A 77 4.699 9.920 -1.460 1.00 0.00 C ATOM 1016 O LEU A 77 4.305 9.887 -2.625 1.00 0.00 O ATOM 1017 CB LEU A 77 6.911 10.681 -0.545 1.00 0.00 C ATOM 1018 CG LEU A 77 8.432 10.491 -0.523 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.123 11.760 -0.055 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.814 9.313 0.368 1.00 0.00 C ATOM 0 H LEU A 77 7.284 9.678 -2.841 1.00 0.00 H new ATOM 0 HA LEU A 77 6.084 8.719 -0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.679 11.571 -1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.568 10.870 0.472 1.00 0.00 H new ATOM 0 HG LEU A 77 8.764 10.274 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.202 11.605 -0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.880 12.578 -0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.784 12.009 0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.898 9.195 0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.467 9.498 1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.351 8.403 -0.013 1.00 0.00 H new ATOM 1032 N PHE A 78 3.938 10.326 -0.453 1.00 0.00 N ATOM 1033 CA PHE A 78 2.551 10.739 -0.654 1.00 0.00 C ATOM 1034 C PHE A 78 2.462 12.149 -1.231 1.00 0.00 C ATOM 1035 O PHE A 78 1.384 12.600 -1.622 1.00 0.00 O ATOM 1036 CB PHE A 78 1.774 10.663 0.659 1.00 0.00 C ATOM 1037 CG PHE A 78 0.999 9.384 0.830 1.00 0.00 C ATOM 1038 CD1 PHE A 78 1.624 8.157 0.682 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -0.355 9.412 1.129 1.00 0.00 C ATOM 1040 CE1 PHE A 78 0.916 6.981 0.831 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -1.067 8.238 1.277 1.00 0.00 C ATOM 1042 CZ PHE A 78 -0.431 7.022 1.129 1.00 0.00 C ATOM 0 H PHE A 78 4.256 10.379 0.515 1.00 0.00 H new ATOM 0 HA PHE A 78 2.107 10.051 -1.374 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.471 10.769 1.490 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.084 11.505 0.712 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.678 8.120 0.447 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.857 10.361 1.247 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.415 6.031 0.715 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.121 8.271 1.509 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.987 6.103 1.246 1.00 0.00 H new ATOM 1052 N ASP A 79 3.590 12.848 -1.280 1.00 0.00 N ATOM 1053 CA ASP A 79 3.620 14.203 -1.825 1.00 0.00 C ATOM 1054 C ASP A 79 3.975 14.176 -3.310 1.00 0.00 C ATOM 1055 O ASP A 79 3.874 15.190 -4.004 1.00 0.00 O ATOM 1056 CB ASP A 79 4.605 15.099 -1.056 1.00 0.00 C ATOM 1057 CG ASP A 79 5.989 14.498 -0.907 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.437 13.772 -1.816 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.640 14.760 0.127 1.00 0.00 O ATOM 0 H ASP A 79 4.492 12.503 -0.951 1.00 0.00 H new ATOM 0 HA ASP A 79 2.623 14.627 -1.709 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.688 16.057 -1.570 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.199 15.303 -0.065 1.00 0.00 H new ATOM 1064 N GLY A 80 4.388 13.010 -3.787 1.00 0.00 N ATOM 1065 CA GLY A 80 4.733 12.854 -5.186 1.00 0.00 C ATOM 1066 C GLY A 80 6.229 12.831 -5.445 1.00 0.00 C ATOM 1067 O GLY A 80 6.659 12.784 -6.599 1.00 0.00 O ATOM 0 H GLY A 80 4.491 12.164 -3.226 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.294 11.928 -5.559 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.287 13.670 -5.755 1.00 0.00 H new ATOM 1071 N THR A 81 7.030 12.873 -4.391 1.00 0.00 N ATOM 1072 CA THR A 81 8.480 12.851 -4.537 1.00 0.00 C ATOM 1073 C THR A 81 9.022 11.432 -4.396 1.00 0.00 C ATOM 1074 O THR A 81 8.478 10.624 -3.641 1.00 0.00 O ATOM 1075 CB THR A 81 9.142 13.764 -3.490 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.317 14.917 -3.272 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.523 14.205 -3.945 1.00 0.00 C ATOM 0 H THR A 81 6.703 12.922 -3.426 1.00 0.00 H new ATOM 0 HA THR A 81 8.719 13.219 -5.535 1.00 0.00 H new ATOM 0 HB THR A 81 9.250 13.203 -2.562 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.575 14.681 -2.677 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.968 14.849 -3.186 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.154 13.329 -4.093 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.439 14.754 -4.883 1.00 0.00 H new ATOM 1085 N ARG A 82 10.067 11.119 -5.148 1.00 0.00 N ATOM 1086 CA ARG A 82 10.681 9.800 -5.090 1.00 0.00 C ATOM 1087 C ARG A 82 11.860 9.812 -4.131 1.00 0.00 C ATOM 1088 O ARG A 82 12.660 10.749 -4.131 1.00 0.00 O ATOM 1089 CB ARG A 82 11.124 9.349 -6.482 1.00 0.00 C ATOM 1090 CG ARG A 82 11.998 10.358 -7.216 1.00 0.00 C ATOM 1091 CD ARG A 82 12.122 10.011 -8.690 1.00 0.00 C ATOM 1092 NE ARG A 82 12.713 8.690 -8.895 1.00 0.00 N ATOM 1093 CZ ARG A 82 12.492 7.933 -9.970 1.00 0.00 C ATOM 1094 NH1 ARG A 82 11.686 8.361 -10.930 1.00 0.00 N ATOM 1095 NH2 ARG A 82 13.079 6.747 -10.085 1.00 0.00 N ATOM 0 H ARG A 82 10.508 11.761 -5.806 1.00 0.00 H new ATOM 0 HA ARG A 82 9.941 9.089 -4.723 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.670 8.410 -6.391 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.239 9.145 -7.085 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.573 11.356 -7.110 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.988 10.383 -6.761 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.136 10.043 -9.154 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.733 10.763 -9.189 1.00 0.00 H new ATOM 0 HE ARG A 82 13.332 8.325 -8.171 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.233 9.271 -10.848 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.518 7.780 -11.752 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.701 6.413 -9.349 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.907 6.171 -10.909 1.00 0.00 H new ATOM 1109 N TRP A 83 11.971 8.777 -3.312 1.00 0.00 N ATOM 1110 CA TRP A 83 13.057 8.703 -2.344 1.00 0.00 C ATOM 1111 C TRP A 83 14.178 7.778 -2.812 1.00 0.00 C ATOM 1112 O TRP A 83 15.330 7.940 -2.408 1.00 0.00 O ATOM 1113 CB TRP A 83 12.534 8.254 -0.977 1.00 0.00 C ATOM 1114 CG TRP A 83 13.338 8.810 0.159 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.047 8.106 1.089 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.532 10.196 0.469 1.00 0.00 C ATOM 1117 NE1 TRP A 83 14.663 8.969 1.962 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.367 10.256 1.600 1.00 0.00 C ATOM 1119 CE3 TRP A 83 13.081 11.392 -0.100 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.759 11.461 2.172 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 13.473 12.587 0.469 1.00 0.00 C ATOM 1122 CH2 TRP A 83 14.305 12.614 1.593 1.00 0.00 C ATOM 0 H TRP A 83 11.330 7.984 -3.297 1.00 0.00 H new ATOM 0 HA TRP A 83 13.474 9.706 -2.252 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.495 8.566 -0.869 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.546 7.165 -0.927 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.114 7.029 1.132 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.247 8.695 2.752 1.00 0.00 H new ATOM 0 HE3 TRP A 83 12.438 11.380 -0.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.399 11.486 3.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 13.131 13.517 0.039 1.00 0.00 H new ATOM 0 HH2 TRP A 83 14.595 13.566 2.013 1.00 0.00 H new ATOM 1133 N GLY A 84 13.842 6.820 -3.665 1.00 0.00 N ATOM 1134 CA GLY A 84 14.842 5.896 -4.168 1.00 0.00 C ATOM 1135 C GLY A 84 14.235 4.572 -4.587 1.00 0.00 C ATOM 1136 O GLY A 84 13.017 4.408 -4.552 1.00 0.00 O ATOM 0 H GLY A 84 12.898 6.665 -4.018 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.354 6.345 -5.019 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.594 5.722 -3.398 1.00 0.00 H new ATOM 1140 N THR A 85 15.078 3.630 -4.981 1.00 0.00 N ATOM 1141 CA THR A 85 14.615 2.317 -5.408 1.00 0.00 C ATOM 1142 C THR A 85 14.608 1.335 -4.239 1.00 0.00 C ATOM 1143 O THR A 85 15.628 1.145 -3.570 1.00 0.00 O ATOM 1144 CB THR A 85 15.501 1.753 -6.537 1.00 0.00 C ATOM 1145 OG1 THR A 85 15.951 2.821 -7.380 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.735 0.735 -7.369 1.00 0.00 C ATOM 0 H THR A 85 16.090 3.750 -5.014 1.00 0.00 H new ATOM 0 HA THR A 85 13.599 2.440 -5.782 1.00 0.00 H new ATOM 0 HB THR A 85 16.359 1.256 -6.084 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.515 2.458 -8.095 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.380 0.351 -8.159 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.413 -0.088 -6.731 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.862 1.212 -7.814 1.00 0.00 H new ATOM 1154 N VAL A 86 13.463 0.714 -4.001 1.00 0.00 N ATOM 1155 CA VAL A 86 13.319 -0.250 -2.915 1.00 0.00 C ATOM 1156 C VAL A 86 13.344 -1.670 -3.468 1.00 0.00 C ATOM 1157 O VAL A 86 12.763 -1.946 -4.521 1.00 0.00 O ATOM 1158 CB VAL A 86 12.009 -0.033 -2.129 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.004 -0.869 -0.857 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.817 1.436 -1.796 1.00 0.00 C ATOM 0 H VAL A 86 12.614 0.860 -4.547 1.00 0.00 H new ATOM 0 HA VAL A 86 14.156 -0.101 -2.233 1.00 0.00 H new ATOM 0 HB VAL A 86 11.179 -0.353 -2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.072 -0.703 -0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.090 -1.924 -1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.846 -0.579 -0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.887 1.565 -1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.653 1.784 -1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.773 2.015 -2.718 1.00 0.00 H new ATOM 1170 N ASP A 87 14.018 -2.564 -2.763 1.00 0.00 N ATOM 1171 CA ASP A 87 14.128 -3.952 -3.183 1.00 0.00 C ATOM 1172 C ASP A 87 13.638 -4.888 -2.081 1.00 0.00 C ATOM 1173 O ASP A 87 13.818 -4.613 -0.891 1.00 0.00 O ATOM 1174 CB ASP A 87 15.578 -4.268 -3.550 1.00 0.00 C ATOM 1175 CG ASP A 87 15.779 -5.727 -3.879 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.507 -6.127 -5.030 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.202 -6.485 -2.985 1.00 0.00 O ATOM 0 H ASP A 87 14.501 -2.351 -1.890 1.00 0.00 H new ATOM 0 HA ASP A 87 13.500 -4.105 -4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.875 -3.661 -4.405 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.229 -3.991 -2.721 1.00 0.00 H new ATOM 1182 N CYS A 88 13.010 -5.987 -2.480 1.00 0.00 N ATOM 1183 CA CYS A 88 12.483 -6.968 -1.538 1.00 0.00 C ATOM 1184 C CYS A 88 13.108 -8.347 -1.777 1.00 0.00 C ATOM 1185 O CYS A 88 12.440 -9.376 -1.660 1.00 0.00 O ATOM 1186 CB CYS A 88 10.961 -7.049 -1.688 1.00 0.00 C ATOM 1187 SG CYS A 88 10.056 -7.271 -0.120 1.00 0.00 S ATOM 0 H CYS A 88 12.852 -6.223 -3.460 1.00 0.00 H new ATOM 0 HA CYS A 88 12.736 -6.653 -0.526 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.607 -6.138 -2.171 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.718 -7.877 -2.353 1.00 0.00 H new ATOM 1192 N THR A 89 14.389 -8.369 -2.116 1.00 0.00 N ATOM 1193 CA THR A 89 15.086 -9.621 -2.372 1.00 0.00 C ATOM 1194 C THR A 89 15.720 -10.183 -1.098 1.00 0.00 C ATOM 1195 O THR A 89 15.706 -11.393 -0.873 1.00 0.00 O ATOM 1196 CB THR A 89 16.169 -9.436 -3.454 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.597 -8.802 -4.606 1.00 0.00 O ATOM 1198 CG2 THR A 89 16.776 -10.768 -3.858 1.00 0.00 C ATOM 0 H THR A 89 14.966 -7.535 -2.220 1.00 0.00 H new ATOM 0 HA THR A 89 14.343 -10.334 -2.729 1.00 0.00 H new ATOM 0 HB THR A 89 16.960 -8.810 -3.040 1.00 0.00 H new ATOM 0 HG1 THR A 89 16.288 -8.684 -5.291 1.00 0.00 H new ATOM 0 HG21 THR A 89 17.536 -10.605 -4.622 1.00 0.00 H new ATOM 0 HG22 THR A 89 17.232 -11.239 -2.987 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.996 -11.418 -4.255 1.00 0.00 H new ATOM 1206 N THR A 90 16.257 -9.309 -0.260 1.00 0.00 N ATOM 1207 CA THR A 90 16.897 -9.745 0.971 1.00 0.00 C ATOM 1208 C THR A 90 16.215 -9.147 2.207 1.00 0.00 C ATOM 1209 O THR A 90 16.623 -9.408 3.341 1.00 0.00 O ATOM 1210 CB THR A 90 18.398 -9.374 0.971 1.00 0.00 C ATOM 1211 OG1 THR A 90 19.066 -9.991 2.079 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.590 -7.866 1.038 1.00 0.00 C ATOM 0 H THR A 90 16.262 -8.300 -0.409 1.00 0.00 H new ATOM 0 HA THR A 90 16.797 -10.829 1.018 1.00 0.00 H new ATOM 0 HB THR A 90 18.830 -9.740 0.039 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.510 -9.911 2.882 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.655 -7.634 1.037 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.116 -7.400 0.174 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.136 -7.482 1.952 1.00 0.00 H new ATOM 1220 N ALA A 91 15.174 -8.353 1.985 1.00 0.00 N ATOM 1221 CA ALA A 91 14.448 -7.717 3.078 1.00 0.00 C ATOM 1222 C ALA A 91 12.948 -7.977 2.959 1.00 0.00 C ATOM 1223 O ALA A 91 12.481 -8.478 1.934 1.00 0.00 O ATOM 1224 CB ALA A 91 14.727 -6.222 3.097 1.00 0.00 C ATOM 0 H ALA A 91 14.813 -8.134 1.056 1.00 0.00 H new ATOM 0 HA ALA A 91 14.794 -8.150 4.016 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.179 -5.760 3.918 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.795 -6.053 3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.407 -5.780 2.153 1.00 0.00 H new ATOM 1230 N ALA A 92 12.203 -7.646 4.010 1.00 0.00 N ATOM 1231 CA ALA A 92 10.758 -7.837 4.023 1.00 0.00 C ATOM 1232 C ALA A 92 10.051 -6.583 3.521 1.00 0.00 C ATOM 1233 O ALA A 92 10.668 -5.524 3.395 1.00 0.00 O ATOM 1234 CB ALA A 92 10.280 -8.190 5.423 1.00 0.00 C ATOM 0 H ALA A 92 12.580 -7.242 4.867 1.00 0.00 H new ATOM 0 HA ALA A 92 10.514 -8.664 3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.199 -8.329 5.414 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.762 -9.111 5.750 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.536 -7.383 6.109 1.00 0.00 H new ATOM 1240 N CYS A 93 8.760 -6.704 3.248 1.00 0.00 N ATOM 1241 CA CYS A 93 7.973 -5.583 2.751 1.00 0.00 C ATOM 1242 C CYS A 93 6.587 -5.584 3.377 1.00 0.00 C ATOM 1243 O CYS A 93 6.146 -6.595 3.920 1.00 0.00 O ATOM 1244 CB CYS A 93 7.852 -5.653 1.227 1.00 0.00 C ATOM 1245 SG CYS A 93 9.423 -5.396 0.335 1.00 0.00 S ATOM 0 H CYS A 93 8.233 -7.570 3.363 1.00 0.00 H new ATOM 0 HA CYS A 93 8.483 -4.660 3.026 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.446 -6.626 0.951 1.00 0.00 H new ATOM 0 HB3 CYS A 93 7.133 -4.903 0.897 1.00 0.00 H new ATOM 1250 N GLN A 94 5.899 -4.457 3.294 1.00 0.00 N ATOM 1251 CA GLN A 94 4.564 -4.338 3.858 1.00 0.00 C ATOM 1252 C GLN A 94 3.607 -3.714 2.851 1.00 0.00 C ATOM 1253 O GLN A 94 4.033 -3.191 1.820 1.00 0.00 O ATOM 1254 CB GLN A 94 4.587 -3.509 5.148 1.00 0.00 C ATOM 1255 CG GLN A 94 5.385 -2.219 5.055 1.00 0.00 C ATOM 1256 CD GLN A 94 6.813 -2.384 5.535 1.00 0.00 C ATOM 1257 OE1 GLN A 94 7.727 -2.633 4.747 1.00 0.00 O ATOM 1258 NE2 GLN A 94 7.009 -2.254 6.836 1.00 0.00 N ATOM 0 H GLN A 94 6.243 -3.610 2.841 1.00 0.00 H new ATOM 0 HA GLN A 94 4.212 -5.341 4.098 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.562 -3.267 5.428 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.001 -4.120 5.950 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.390 -1.873 4.022 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.893 -1.448 5.647 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.223 -2.047 7.452 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.946 -2.360 7.224 1.00 0.00 H new ATOM 1267 N VAL A 95 2.319 -3.775 3.150 1.00 0.00 N ATOM 1268 CA VAL A 95 1.304 -3.215 2.275 1.00 0.00 C ATOM 1269 C VAL A 95 0.886 -1.841 2.781 1.00 0.00 C ATOM 1270 O VAL A 95 0.405 -1.705 3.909 1.00 0.00 O ATOM 1271 CB VAL A 95 0.058 -4.125 2.191 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -0.868 -3.676 1.068 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.463 -5.581 2.010 1.00 0.00 C ATOM 0 H VAL A 95 1.952 -4.209 3.997 1.00 0.00 H new ATOM 0 HA VAL A 95 1.737 -3.133 1.278 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.487 -4.040 3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.738 -4.332 1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.194 -2.652 1.252 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.336 -3.722 0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.430 -6.203 1.953 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.038 -5.687 1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.072 -5.897 2.857 1.00 0.00 H new ATOM 1283 N GLY A 96 1.078 -0.830 1.951 1.00 0.00 N ATOM 1284 CA GLY A 96 0.721 0.514 2.331 1.00 0.00 C ATOM 1285 C GLY A 96 -0.681 0.868 1.896 1.00 0.00 C ATOM 1286 O GLY A 96 -0.996 0.819 0.708 1.00 0.00 O ATOM 0 H GLY A 96 1.477 -0.919 1.017 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.803 0.619 3.413 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.427 1.216 1.888 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.518 1.217 2.860 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.901 1.575 2.585 1.00 0.00 C ATOM 1292 C LEU A 97 -3.325 2.779 3.425 1.00 0.00 C ATOM 1293 O LEU A 97 -3.488 2.674 4.641 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.817 0.372 2.863 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.210 -0.732 3.739 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -3.374 -0.413 5.217 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -3.836 -2.077 3.413 1.00 0.00 C ATOM 0 H LEU A 97 -1.262 1.260 3.846 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.989 1.850 1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.727 0.733 3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.112 -0.066 1.909 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.143 -0.783 3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.934 -1.213 5.813 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.871 0.527 5.444 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.434 -0.324 5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.393 -2.847 4.044 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.910 -2.032 3.595 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.655 -2.318 2.365 1.00 0.00 H new ATOM 1309 N SER A 98 -3.475 3.931 2.784 1.00 0.00 N ATOM 1310 CA SER A 98 -3.885 5.140 3.483 1.00 0.00 C ATOM 1311 C SER A 98 -4.600 6.094 2.538 1.00 0.00 C ATOM 1312 O SER A 98 -4.516 5.951 1.319 1.00 0.00 O ATOM 1313 CB SER A 98 -2.674 5.823 4.124 1.00 0.00 C ATOM 1314 OG SER A 98 -2.171 5.053 5.207 1.00 0.00 O ATOM 0 H SER A 98 -3.319 4.053 1.783 1.00 0.00 H new ATOM 0 HA SER A 98 -4.582 4.859 4.273 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.892 5.961 3.377 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.956 6.815 4.478 1.00 0.00 H new ATOM 0 HG SER A 98 -2.629 4.187 5.233 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.310 7.056 3.105 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.049 8.033 2.317 1.00 0.00 C ATOM 1322 C ASP A 99 -5.108 9.117 1.791 1.00 0.00 C ATOM 1323 O ASP A 99 -3.908 9.084 2.059 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.172 8.657 3.154 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.724 9.903 3.890 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.920 9.787 4.836 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.168 11.003 3.515 1.00 0.00 O ATOM 0 H ASP A 99 -5.391 7.183 4.114 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.497 7.522 1.465 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.011 8.905 2.503 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.534 7.924 3.875 1.00 0.00 H new ATOM 1332 N ALA A 100 -5.666 10.084 1.065 1.00 0.00 N ATOM 1333 CA ALA A 100 -4.887 11.179 0.489 1.00 0.00 C ATOM 1334 C ALA A 100 -4.133 11.967 1.562 1.00 0.00 C ATOM 1335 O ALA A 100 -3.039 12.479 1.316 1.00 0.00 O ATOM 1336 CB ALA A 100 -5.799 12.105 -0.304 1.00 0.00 C ATOM 0 H ALA A 100 -6.664 10.131 0.860 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.144 10.744 -0.179 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.211 12.918 -0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.278 11.544 -1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.562 12.517 0.356 1.00 0.00 H new ATOM 1342 N ALA A 101 -4.720 12.067 2.753 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.093 12.790 3.852 1.00 0.00 C ATOM 1344 C ALA A 101 -2.962 11.971 4.462 1.00 0.00 C ATOM 1345 O ALA A 101 -1.920 12.516 4.834 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.118 13.147 4.919 1.00 0.00 C ATOM 0 H ALA A 101 -5.626 11.657 2.979 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.675 13.713 3.451 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.627 13.686 5.729 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.894 13.776 4.482 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.568 12.235 5.311 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.169 10.665 4.558 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.157 9.789 5.120 1.00 0.00 C ATOM 1354 C GLY A 102 -2.636 9.084 6.376 1.00 0.00 C ATOM 1355 O GLY A 102 -1.837 8.745 7.251 1.00 0.00 O ATOM 0 H GLY A 102 -4.022 10.194 4.256 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -1.870 9.046 4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.264 10.370 5.351 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.941 8.880 6.470 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.541 8.215 7.619 1.00 0.00 C ATOM 1361 C ASN A 103 -5.303 6.974 7.173 1.00 0.00 C ATOM 1362 O ASN A 103 -5.416 6.708 5.975 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.494 9.165 8.350 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.772 10.233 9.149 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.695 9.998 9.697 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -5.361 11.419 9.220 1.00 0.00 N ATOM 0 H ASN A 103 -4.611 9.168 5.757 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.741 7.920 8.299 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.149 9.644 7.622 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -6.131 8.587 9.020 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.921 12.176 9.743 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.254 11.574 8.752 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.821 6.223 8.134 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.573 5.028 7.814 1.00 0.00 C ATOM 1375 C GLY A 104 -6.142 3.846 8.659 1.00 0.00 C ATOM 1376 O GLY A 104 -5.844 4.008 9.843 1.00 0.00 O ATOM 0 H GLY A 104 -5.734 6.421 9.131 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.636 5.216 7.968 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.441 4.788 6.759 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.106 2.636 8.079 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.690 1.425 8.782 1.00 0.00 C ATOM 1382 C PRO A 105 -4.172 1.356 8.917 1.00 0.00 C ATOM 1383 O PRO A 105 -3.450 2.119 8.270 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.200 0.277 7.892 1.00 0.00 C ATOM 1385 CG PRO A 105 -6.963 0.923 6.778 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.473 2.342 6.691 1.00 0.00 C ATOM 0 HA PRO A 105 -6.086 1.385 9.797 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.370 -0.314 7.505 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.837 -0.402 8.459 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -6.797 0.397 5.838 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.035 0.894 6.974 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.621 2.437 6.017 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.246 3.017 6.324 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.693 0.459 9.764 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.262 0.296 9.968 1.00 0.00 C ATOM 1396 C GLU A 106 -1.679 -0.617 8.894 1.00 0.00 C ATOM 1397 O GLU A 106 -2.324 -1.582 8.477 1.00 0.00 O ATOM 1398 CB GLU A 106 -1.980 -0.279 11.354 1.00 0.00 C ATOM 1399 CG GLU A 106 -0.583 0.030 11.863 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.210 -0.783 13.079 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -0.741 -0.502 14.171 1.00 0.00 O ATOM 1402 OE2 GLU A 106 0.622 -1.704 12.950 1.00 0.00 O ATOM 0 H GLU A 106 -4.274 -0.167 10.321 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.789 1.275 9.896 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.711 0.117 12.059 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.117 -1.360 11.325 1.00 0.00 H new ATOM 0 HG2 GLU A 106 0.139 -0.161 11.069 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.516 1.090 12.106 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.468 -0.299 8.449 1.00 0.00 N ATOM 1410 CA GLY A 107 0.189 -1.086 7.425 1.00 0.00 C ATOM 1411 C GLY A 107 0.579 -2.465 7.915 1.00 0.00 C ATOM 1412 O GLY A 107 1.294 -2.602 8.914 1.00 0.00 O ATOM 0 H GLY A 107 0.074 0.498 8.784 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.474 -1.183 6.565 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.080 -0.560 7.083 1.00 0.00 H new ATOM 1416 N VAL A 108 0.104 -3.484 7.219 1.00 0.00 N ATOM 1417 CA VAL A 108 0.399 -4.866 7.570 1.00 0.00 C ATOM 1418 C VAL A 108 1.656 -5.338 6.841 1.00 0.00 C ATOM 1419 O VAL A 108 1.772 -5.182 5.622 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.791 -5.795 7.228 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.427 -7.260 7.424 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -2.009 -5.431 8.068 1.00 0.00 C ATOM 0 H VAL A 108 -0.494 -3.380 6.399 1.00 0.00 H new ATOM 0 HA VAL A 108 0.569 -4.912 8.646 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.035 -5.651 6.175 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.285 -7.885 7.175 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.410 -7.517 6.774 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.145 -7.429 8.463 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.837 -6.094 7.815 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.767 -5.539 9.125 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.296 -4.399 7.865 1.00 0.00 H new ATOM 1432 N ALA A 109 2.593 -5.901 7.592 1.00 0.00 N ATOM 1433 CA ALA A 109 3.846 -6.383 7.024 1.00 0.00 C ATOM 1434 C ALA A 109 3.739 -7.845 6.611 1.00 0.00 C ATOM 1435 O ALA A 109 3.088 -8.649 7.284 1.00 0.00 O ATOM 1436 CB ALA A 109 4.983 -6.194 8.013 1.00 0.00 C ATOM 0 H ALA A 109 2.509 -6.036 8.600 1.00 0.00 H new ATOM 0 HA ALA A 109 4.057 -5.796 6.130 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.912 -6.559 7.574 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.086 -5.135 8.251 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.769 -6.752 8.925 1.00 0.00 H new ATOM 1442 N ILE A 110 4.387 -8.187 5.508 1.00 0.00 N ATOM 1443 CA ILE A 110 4.364 -9.548 4.990 1.00 0.00 C ATOM 1444 C ILE A 110 5.769 -10.012 4.628 1.00 0.00 C ATOM 1445 O ILE A 110 6.714 -9.223 4.614 1.00 0.00 O ATOM 1446 CB ILE A 110 3.457 -9.665 3.741 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.750 -8.528 2.752 1.00 0.00 C ATOM 1448 CG2 ILE A 110 1.987 -9.665 4.145 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.053 -8.681 1.416 1.00 0.00 C ATOM 0 H ILE A 110 4.939 -7.536 4.950 1.00 0.00 H new ATOM 0 HA ILE A 110 3.961 -10.183 5.779 1.00 0.00 H new ATOM 0 HB ILE A 110 3.674 -10.611 3.245 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.448 -7.582 3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 110 4.826 -8.473 2.585 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.365 -9.748 3.254 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.791 -10.510 4.804 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.753 -8.737 4.666 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.310 -7.839 0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.373 -9.610 0.943 1.00 0.00 H new ATOM 0 HD13 ILE A 110 1.974 -8.705 1.569 1.00 0.00 H new ATOM 1461 N SER A 111 5.916 -11.296 4.357 1.00 0.00 N ATOM 1462 CA SER A 111 7.207 -11.849 3.991 1.00 0.00 C ATOM 1463 C SER A 111 7.025 -13.033 3.056 1.00 0.00 C ATOM 1464 O SER A 111 6.027 -13.754 3.138 1.00 0.00 O ATOM 1465 CB SER A 111 7.980 -12.274 5.246 1.00 0.00 C ATOM 1466 OG SER A 111 8.017 -11.223 6.203 1.00 0.00 O ATOM 0 H SER A 111 5.156 -11.976 4.384 1.00 0.00 H new ATOM 0 HA SER A 111 7.782 -11.081 3.473 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.511 -13.154 5.686 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.996 -12.557 4.973 1.00 0.00 H new ATOM 0 HG SER A 111 8.514 -11.519 6.994 1.00 0.00 H new ATOM 1472 N PHE A 112 7.978 -13.217 2.154 1.00 0.00 N ATOM 1473 CA PHE A 112 7.925 -14.322 1.212 1.00 0.00 C ATOM 1474 C PHE A 112 8.392 -15.599 1.893 1.00 0.00 C ATOM 1475 O PHE A 112 8.904 -15.559 3.015 1.00 0.00 O ATOM 1476 CB PHE A 112 8.806 -14.046 -0.011 1.00 0.00 C ATOM 1477 CG PHE A 112 8.477 -12.768 -0.738 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.160 -12.375 -0.932 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.492 -11.961 -1.232 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.864 -11.202 -1.601 1.00 0.00 C ATOM 1481 CE2 PHE A 112 9.200 -10.788 -1.902 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.885 -10.408 -2.087 1.00 0.00 C ATOM 0 H PHE A 112 8.796 -12.615 2.056 1.00 0.00 H new ATOM 0 HA PHE A 112 6.894 -14.435 0.877 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.848 -14.011 0.307 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.713 -14.880 -0.707 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.358 -12.992 -0.556 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.522 -12.253 -1.091 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.835 -10.906 -1.744 1.00 0.00 H new ATOM 0 HE2 PHE A 112 10.000 -10.169 -2.281 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.655 -9.492 -2.611 1.00 0.00 H new ATOM 1492 N ASN A 113 8.217 -16.728 1.229 1.00 0.00 N ATOM 1493 CA ASN A 113 8.642 -18.004 1.791 1.00 0.00 C ATOM 1494 C ASN A 113 10.145 -18.172 1.638 1.00 0.00 C ATOM 1495 O ASN A 113 10.758 -18.854 2.482 1.00 0.00 O ATOM 1496 CB ASN A 113 7.920 -19.178 1.125 1.00 0.00 C ATOM 1497 CG ASN A 113 7.976 -19.121 -0.392 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.940 -19.565 -1.007 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.933 -18.586 -1.006 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.712 -17.615 0.677 1.00 0.00 O ATOM 0 H ASN A 113 7.787 -16.791 0.306 1.00 0.00 H new ATOM 0 HA ASN A 113 8.383 -18.002 2.850 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.366 -20.113 1.465 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.878 -19.186 1.445 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.913 -18.533 -2.024 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.149 -18.227 -0.461 1.00 0.00 H new