USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 773 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 87 GLN : amide:sc= -0.126 X(o=-0.27,f=-0.018) USER MOD Set 1.2: A 91 GLN : amide:sc= -0.145 X(o=-0.27,f=-0.17) USER MOD Set 2.1: A 76 HIS : no HD1:sc= -4.41 K(o=-11,f=-14!) USER MOD Set 2.2: A 79 GLN : amide:sc= -7.06! C(o=-11!,f=-13!) USER MOD Single : A 0 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 6:sc= 0.167 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.233 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -98:sc= 0.363 USER MOD Single : A 15 HIS : no HD1:sc= -6.28! K(o=-6.3!,f=-2) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.379 X(o=-0.38,f=-0.14) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 87:sc= 0.0732 USER MOD Single : A 39 CYS SG : rot -44:sc= -1.55 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -174:sc= -1.94 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -1.06! X(o=-1.1!,f=-0.62) USER MOD Single : A 75 SER OG : rot -81:sc= 1.12 USER MOD Single : A 80 GLN : amide:sc= -2.32! C(o=-2.3!,f=-3.1!) USER MOD Single : A 82 TYR OH : rot 90:sc= -0.449 USER MOD Single : A 84 THR OG1 : rot 85:sc= 0.336 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 1:sc= 0.962 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 29:sc= 0.0276 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 25:sc= 0.293 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 -6.449 -11.697 -4.473 1.00 0.00 N ATOM 2 CA GLY A 0 -5.295 -10.864 -4.765 1.00 0.00 C ATOM 3 C GLY A 0 -4.176 -11.685 -5.410 1.00 0.00 C ATOM 4 O GLY A 0 -3.246 -12.115 -4.729 1.00 0.00 O ATOM 0 H1 GLY A 0 -7.194 -11.117 -4.036 1.00 0.00 H new ATOM 0 H2 GLY A 0 -6.808 -12.115 -5.355 1.00 0.00 H new ATOM 0 H3 GLY A 0 -6.172 -12.456 -3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -5.587 -10.053 -5.432 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -4.931 -10.405 -3.846 1.00 0.00 H new ATOM 8 N SER A 1 -4.302 -11.877 -6.715 1.00 0.00 N ATOM 9 CA SER A 1 -3.313 -12.638 -7.458 1.00 0.00 C ATOM 10 C SER A 1 -3.191 -12.088 -8.881 1.00 0.00 C ATOM 11 O SER A 1 -2.112 -11.667 -9.296 1.00 0.00 O ATOM 12 CB SER A 1 -3.674 -14.124 -7.494 1.00 0.00 C ATOM 13 OG SER A 1 -3.457 -14.756 -6.235 1.00 0.00 O ATOM 0 H SER A 1 -5.074 -11.518 -7.277 1.00 0.00 H new ATOM 0 HA SER A 1 -2.353 -12.537 -6.952 1.00 0.00 H new ATOM 0 HB2 SER A 1 -4.720 -14.236 -7.781 1.00 0.00 H new ATOM 0 HB3 SER A 1 -3.078 -14.624 -8.258 1.00 0.00 H new ATOM 0 HG SER A 1 -3.208 -14.082 -5.569 1.00 0.00 H new ATOM 19 N SER A 2 -4.311 -12.109 -9.588 1.00 0.00 N ATOM 20 CA SER A 2 -4.342 -11.617 -10.955 1.00 0.00 C ATOM 21 C SER A 2 -5.455 -10.579 -11.112 1.00 0.00 C ATOM 22 O SER A 2 -6.272 -10.398 -10.210 1.00 0.00 O ATOM 23 CB SER A 2 -4.542 -12.763 -11.948 1.00 0.00 C ATOM 24 OG SER A 2 -3.491 -12.828 -12.907 1.00 0.00 O ATOM 0 H SER A 2 -5.204 -12.459 -9.240 1.00 0.00 H new ATOM 0 HA SER A 2 -3.382 -11.148 -11.172 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.597 -13.707 -11.406 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.495 -12.635 -12.462 1.00 0.00 H new ATOM 0 HG SER A 2 -3.655 -13.574 -13.522 1.00 0.00 H new ATOM 30 N GLY A 3 -5.451 -9.924 -12.263 1.00 0.00 N ATOM 31 CA GLY A 3 -6.450 -8.908 -12.550 1.00 0.00 C ATOM 32 C GLY A 3 -6.254 -8.326 -13.951 1.00 0.00 C ATOM 33 O GLY A 3 -5.315 -8.696 -14.655 1.00 0.00 O ATOM 0 H GLY A 3 -4.772 -10.077 -13.008 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -7.447 -9.340 -12.468 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -6.386 -8.111 -11.809 1.00 0.00 H new ATOM 37 N SER A 4 -7.154 -7.425 -14.314 1.00 0.00 N ATOM 38 CA SER A 4 -7.092 -6.788 -15.619 1.00 0.00 C ATOM 39 C SER A 4 -7.494 -5.316 -15.502 1.00 0.00 C ATOM 40 O SER A 4 -6.713 -4.427 -15.839 1.00 0.00 O ATOM 41 CB SER A 4 -7.992 -7.505 -16.626 1.00 0.00 C ATOM 42 OG SER A 4 -7.486 -7.412 -17.955 1.00 0.00 O ATOM 0 H SER A 4 -7.931 -7.120 -13.727 1.00 0.00 H new ATOM 0 HA SER A 4 -6.066 -6.851 -15.981 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.085 -8.554 -16.346 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.993 -7.075 -16.588 1.00 0.00 H new ATOM 0 HG SER A 4 -8.088 -7.884 -18.568 1.00 0.00 H new ATOM 48 N SER A 5 -8.711 -5.104 -15.025 1.00 0.00 N ATOM 49 CA SER A 5 -9.226 -3.755 -14.860 1.00 0.00 C ATOM 50 C SER A 5 -9.197 -3.361 -13.382 1.00 0.00 C ATOM 51 O SER A 5 -8.974 -4.205 -12.515 1.00 0.00 O ATOM 52 CB SER A 5 -10.648 -3.637 -15.413 1.00 0.00 C ATOM 53 OG SER A 5 -11.520 -4.619 -14.858 1.00 0.00 O ATOM 0 H SER A 5 -9.356 -5.844 -14.747 1.00 0.00 H new ATOM 0 HA SER A 5 -8.588 -3.074 -15.424 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.039 -2.642 -15.199 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.625 -3.744 -16.498 1.00 0.00 H new ATOM 0 HG SER A 5 -12.418 -4.509 -15.235 1.00 0.00 H new ATOM 59 N GLY A 6 -9.426 -2.079 -13.140 1.00 0.00 N ATOM 60 CA GLY A 6 -9.429 -1.563 -11.781 1.00 0.00 C ATOM 61 C GLY A 6 -8.016 -1.557 -11.194 1.00 0.00 C ATOM 62 O GLY A 6 -7.347 -2.588 -11.166 1.00 0.00 O ATOM 0 H GLY A 6 -9.611 -1.382 -13.861 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -9.834 -0.551 -11.773 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.083 -2.173 -11.158 1.00 0.00 H new ATOM 66 N THR A 7 -7.604 -0.382 -10.740 1.00 0.00 N ATOM 67 CA THR A 7 -6.283 -0.228 -10.155 1.00 0.00 C ATOM 68 C THR A 7 -6.365 -0.287 -8.629 1.00 0.00 C ATOM 69 O THR A 7 -7.427 -0.062 -8.052 1.00 0.00 O ATOM 70 CB THR A 7 -5.682 1.077 -10.682 1.00 0.00 C ATOM 71 OG1 THR A 7 -6.739 2.024 -10.550 1.00 0.00 O ATOM 72 CG2 THR A 7 -5.409 1.031 -12.186 1.00 0.00 C ATOM 0 H THR A 7 -8.162 0.472 -10.766 1.00 0.00 H new ATOM 0 HA THR A 7 -5.624 -1.046 -10.445 1.00 0.00 H new ATOM 0 HB THR A 7 -4.754 1.289 -10.151 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.435 2.900 -10.868 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.983 1.981 -12.508 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.707 0.226 -12.404 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.342 0.852 -12.720 1.00 0.00 H new ATOM 80 N PRO A 8 -5.199 -0.599 -8.002 1.00 0.00 N ATOM 81 CA PRO A 8 -5.129 -0.690 -6.554 1.00 0.00 C ATOM 82 C PRO A 8 -5.140 0.700 -5.915 1.00 0.00 C ATOM 83 O PRO A 8 -5.870 0.941 -4.955 1.00 0.00 O ATOM 84 CB PRO A 8 -3.852 -1.464 -6.270 1.00 0.00 C ATOM 85 CG PRO A 8 -3.019 -1.373 -7.538 1.00 0.00 C ATOM 86 CD PRO A 8 -3.921 -0.872 -8.653 1.00 0.00 C ATOM 0 HA PRO A 8 -5.992 -1.198 -6.123 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.318 -1.038 -5.420 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.072 -2.502 -6.021 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.178 -0.695 -7.394 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.603 -2.348 -7.792 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.514 0.026 -9.118 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.029 -1.618 -9.440 1.00 0.00 H new ATOM 94 N LEU A 9 -4.322 1.580 -6.475 1.00 0.00 N ATOM 95 CA LEU A 9 -4.229 2.940 -5.972 1.00 0.00 C ATOM 96 C LEU A 9 -5.628 3.556 -5.918 1.00 0.00 C ATOM 97 O LEU A 9 -6.009 4.153 -4.911 1.00 0.00 O ATOM 98 CB LEU A 9 -3.232 3.751 -6.803 1.00 0.00 C ATOM 99 CG LEU A 9 -2.024 4.306 -6.046 1.00 0.00 C ATOM 100 CD1 LEU A 9 -1.178 5.207 -6.948 1.00 0.00 C ATOM 101 CD2 LEU A 9 -2.461 5.024 -4.767 1.00 0.00 C ATOM 0 H LEU A 9 -3.718 1.377 -7.272 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.839 2.944 -4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.869 3.121 -7.615 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.764 4.585 -7.260 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.395 3.468 -5.746 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.326 5.588 -6.385 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.821 4.633 -7.803 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.784 6.042 -7.299 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.583 5.409 -4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.123 5.851 -5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.988 4.324 -4.119 1.00 0.00 H new ATOM 113 N SER A 10 -6.356 3.391 -7.012 1.00 0.00 N ATOM 114 CA SER A 10 -7.705 3.923 -7.102 1.00 0.00 C ATOM 115 C SER A 10 -8.615 3.215 -6.096 1.00 0.00 C ATOM 116 O SER A 10 -9.427 3.855 -5.430 1.00 0.00 O ATOM 117 CB SER A 10 -8.263 3.774 -8.518 1.00 0.00 C ATOM 118 OG SER A 10 -9.603 4.248 -8.617 1.00 0.00 O ATOM 0 H SER A 10 -6.037 2.896 -7.845 1.00 0.00 H new ATOM 0 HA SER A 10 -7.669 4.986 -6.865 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.632 4.324 -9.216 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.227 2.725 -8.813 1.00 0.00 H new ATOM 0 HG SER A 10 -9.922 4.137 -9.537 1.00 0.00 H new ATOM 124 N LEU A 11 -8.448 1.903 -6.017 1.00 0.00 N ATOM 125 CA LEU A 11 -9.244 1.101 -5.104 1.00 0.00 C ATOM 126 C LEU A 11 -8.999 1.574 -3.670 1.00 0.00 C ATOM 127 O LEU A 11 -9.944 1.805 -2.918 1.00 0.00 O ATOM 128 CB LEU A 11 -8.965 -0.389 -5.316 1.00 0.00 C ATOM 129 CG LEU A 11 -9.517 -0.997 -6.607 1.00 0.00 C ATOM 130 CD1 LEU A 11 -8.633 -2.147 -7.093 1.00 0.00 C ATOM 131 CD2 LEU A 11 -10.974 -1.429 -6.430 1.00 0.00 C ATOM 0 H LEU A 11 -7.773 1.375 -6.571 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.306 1.235 -5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.886 -0.543 -5.298 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.380 -0.940 -4.472 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.501 -0.229 -7.381 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.048 -2.561 -8.012 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.626 -1.776 -7.284 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.595 -2.924 -6.330 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.342 -1.858 -7.362 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.039 -2.174 -5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.581 -0.563 -6.164 1.00 0.00 H new ATOM 143 N THR A 12 -7.724 1.704 -3.334 1.00 0.00 N ATOM 144 CA THR A 12 -7.342 2.145 -2.003 1.00 0.00 C ATOM 145 C THR A 12 -7.806 3.584 -1.765 1.00 0.00 C ATOM 146 O THR A 12 -8.503 3.861 -0.790 1.00 0.00 O ATOM 147 CB THR A 12 -5.829 1.963 -1.860 1.00 0.00 C ATOM 148 OG1 THR A 12 -5.310 2.370 -3.124 1.00 0.00 O ATOM 149 CG2 THR A 12 -5.425 0.492 -1.747 1.00 0.00 C ATOM 0 H THR A 12 -6.942 1.512 -3.960 1.00 0.00 H new ATOM 0 HA THR A 12 -7.830 1.547 -1.233 1.00 0.00 H new ATOM 0 HB THR A 12 -5.479 2.504 -0.981 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.151 1.580 -3.682 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.342 0.419 -1.648 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.900 0.050 -0.871 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.744 -0.043 -2.642 1.00 0.00 H new ATOM 157 N LEU A 13 -7.400 4.460 -2.671 1.00 0.00 N ATOM 158 CA LEU A 13 -7.765 5.863 -2.572 1.00 0.00 C ATOM 159 C LEU A 13 -9.287 5.983 -2.464 1.00 0.00 C ATOM 160 O LEU A 13 -9.798 6.930 -1.868 1.00 0.00 O ATOM 161 CB LEU A 13 -7.167 6.656 -3.735 1.00 0.00 C ATOM 162 CG LEU A 13 -5.640 6.652 -3.835 1.00 0.00 C ATOM 163 CD1 LEU A 13 -5.185 6.858 -5.281 1.00 0.00 C ATOM 164 CD2 LEU A 13 -5.025 7.684 -2.888 1.00 0.00 C ATOM 0 H LEU A 13 -6.821 4.226 -3.478 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.345 6.303 -1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.573 6.260 -4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.503 7.690 -3.655 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.280 5.672 -3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.096 6.851 -5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.578 6.055 -5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.556 7.815 -5.646 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.939 7.660 -2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.389 8.678 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.308 7.450 -1.862 1.00 0.00 H new ATOM 176 N ASP A 14 -9.968 5.009 -3.050 1.00 0.00 N ATOM 177 CA ASP A 14 -11.421 4.994 -3.027 1.00 0.00 C ATOM 178 C ASP A 14 -11.900 4.545 -1.645 1.00 0.00 C ATOM 179 O ASP A 14 -12.994 4.907 -1.216 1.00 0.00 O ATOM 180 CB ASP A 14 -11.977 4.014 -4.061 1.00 0.00 C ATOM 181 CG ASP A 14 -12.094 4.570 -5.482 1.00 0.00 C ATOM 182 OD1 ASP A 14 -11.811 5.776 -5.644 1.00 0.00 O ATOM 183 OD2 ASP A 14 -12.463 3.776 -6.374 1.00 0.00 O ATOM 0 H ASP A 14 -9.541 4.225 -3.543 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.773 6.000 -3.257 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.337 3.132 -4.084 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.963 3.685 -3.734 1.00 0.00 H new ATOM 188 N HIS A 15 -11.057 3.763 -0.986 1.00 0.00 N ATOM 189 CA HIS A 15 -11.381 3.261 0.338 1.00 0.00 C ATOM 190 C HIS A 15 -10.362 3.788 1.350 1.00 0.00 C ATOM 191 O HIS A 15 -9.906 3.048 2.220 1.00 0.00 O ATOM 192 CB HIS A 15 -11.476 1.734 0.332 1.00 0.00 C ATOM 193 CG HIS A 15 -12.831 1.205 -0.071 1.00 0.00 C ATOM 194 ND1 HIS A 15 -14.004 1.591 0.554 1.00 0.00 N ATOM 195 CD2 HIS A 15 -13.188 0.318 -1.044 1.00 0.00 C ATOM 196 CE1 HIS A 15 -15.014 0.957 -0.023 1.00 0.00 C ATOM 197 NE2 HIS A 15 -14.506 0.168 -1.013 1.00 0.00 N ATOM 0 H HIS A 15 -10.150 3.465 -1.345 1.00 0.00 H new ATOM 0 HA HIS A 15 -12.363 3.627 0.639 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.724 1.336 -0.350 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.233 1.361 1.327 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -12.512 -0.178 -1.725 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -16.057 1.049 0.244 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -15.050 -0.437 -1.628 1.00 0.00 H new ATOM 205 N TRP A 16 -10.033 5.063 1.202 1.00 0.00 N ATOM 206 CA TRP A 16 -9.076 5.698 2.092 1.00 0.00 C ATOM 207 C TRP A 16 -9.493 5.391 3.532 1.00 0.00 C ATOM 208 O TRP A 16 -8.644 5.225 4.406 1.00 0.00 O ATOM 209 CB TRP A 16 -8.972 7.197 1.806 1.00 0.00 C ATOM 210 CG TRP A 16 -7.938 7.925 2.668 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.127 8.986 3.464 1.00 0.00 C ATOM 212 CD2 TRP A 16 -6.537 7.599 2.789 1.00 0.00 C ATOM 213 NE1 TRP A 16 -6.956 9.367 4.086 1.00 0.00 N ATOM 214 CE2 TRP A 16 -5.958 8.496 3.663 1.00 0.00 C ATOM 215 CE3 TRP A 16 -5.784 6.579 2.180 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -4.601 8.465 4.007 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -4.430 6.562 2.534 1.00 0.00 C ATOM 218 CH2 TRP A 16 -3.832 7.458 3.412 1.00 0.00 C ATOM 0 H TRP A 16 -10.412 5.674 0.479 1.00 0.00 H new ATOM 0 HA TRP A 16 -8.074 5.301 1.928 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.719 7.339 0.755 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -9.948 7.655 1.963 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -9.077 9.481 3.601 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -6.843 10.145 4.736 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -6.216 5.866 1.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.171 9.179 4.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.806 5.799 2.094 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.778 7.378 3.634 1.00 0.00 H new ATOM 229 N SER A 17 -10.801 5.323 3.733 1.00 0.00 N ATOM 230 CA SER A 17 -11.341 5.039 5.052 1.00 0.00 C ATOM 231 C SER A 17 -10.751 3.734 5.589 1.00 0.00 C ATOM 232 O SER A 17 -10.331 3.667 6.743 1.00 0.00 O ATOM 233 CB SER A 17 -12.868 4.955 5.015 1.00 0.00 C ATOM 234 OG SER A 17 -13.461 5.503 6.189 1.00 0.00 O ATOM 0 H SER A 17 -11.502 5.460 3.005 1.00 0.00 H new ATOM 0 HA SER A 17 -11.065 5.856 5.718 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.239 5.487 4.139 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.171 3.914 4.908 1.00 0.00 H new ATOM 0 HG SER A 17 -14.436 5.432 6.126 1.00 0.00 H new ATOM 240 N GLU A 18 -10.737 2.728 4.726 1.00 0.00 N ATOM 241 CA GLU A 18 -10.205 1.429 5.099 1.00 0.00 C ATOM 242 C GLU A 18 -8.711 1.536 5.410 1.00 0.00 C ATOM 243 O GLU A 18 -8.232 0.957 6.383 1.00 0.00 O ATOM 244 CB GLU A 18 -10.464 0.395 4.002 1.00 0.00 C ATOM 245 CG GLU A 18 -9.521 -0.802 4.142 1.00 0.00 C ATOM 246 CD GLU A 18 -9.777 -1.551 5.451 1.00 0.00 C ATOM 247 OE1 GLU A 18 -10.762 -2.321 5.481 1.00 0.00 O ATOM 248 OE2 GLU A 18 -8.982 -1.338 6.392 1.00 0.00 O ATOM 0 H GLU A 18 -11.086 2.787 3.769 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.720 1.092 5.999 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.498 0.055 4.054 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.329 0.856 3.024 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.659 -1.479 3.299 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.486 -0.460 4.111 1.00 0.00 H new ATOM 255 N ILE A 19 -8.015 2.282 4.564 1.00 0.00 N ATOM 256 CA ILE A 19 -6.585 2.473 4.736 1.00 0.00 C ATOM 257 C ILE A 19 -6.326 3.182 6.066 1.00 0.00 C ATOM 258 O ILE A 19 -5.419 2.806 6.808 1.00 0.00 O ATOM 259 CB ILE A 19 -5.992 3.198 3.526 1.00 0.00 C ATOM 260 CG1 ILE A 19 -6.457 2.554 2.219 1.00 0.00 C ATOM 261 CG2 ILE A 19 -4.467 3.266 3.622 1.00 0.00 C ATOM 262 CD1 ILE A 19 -6.164 1.052 2.213 1.00 0.00 C ATOM 0 H ILE A 19 -8.415 2.761 3.757 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.075 1.511 4.783 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.360 4.224 3.527 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.526 2.720 2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.955 3.029 1.376 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.070 3.786 2.750 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.183 3.805 4.526 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.059 2.256 3.658 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.505 0.619 1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.091 0.890 2.320 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.687 0.576 3.042 1.00 0.00 H new ATOM 274 N ARG A 20 -7.139 4.195 6.328 1.00 0.00 N ATOM 275 CA ARG A 20 -7.009 4.960 7.557 1.00 0.00 C ATOM 276 C ARG A 20 -7.397 4.101 8.761 1.00 0.00 C ATOM 277 O ARG A 20 -6.932 4.340 9.875 1.00 0.00 O ATOM 278 CB ARG A 20 -7.892 6.209 7.524 1.00 0.00 C ATOM 279 CG ARG A 20 -7.392 7.207 6.478 1.00 0.00 C ATOM 280 CD ARG A 20 -7.651 8.647 6.926 1.00 0.00 C ATOM 281 NE ARG A 20 -8.929 9.132 6.360 1.00 0.00 N ATOM 282 CZ ARG A 20 -9.291 10.421 6.316 1.00 0.00 C ATOM 283 NH1 ARG A 20 -8.472 11.363 6.804 1.00 0.00 N ATOM 284 NH2 ARG A 20 -10.470 10.769 5.783 1.00 0.00 N ATOM 0 H ARG A 20 -7.890 4.504 5.711 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.967 5.268 7.647 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.920 5.926 7.299 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.899 6.680 8.507 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.325 7.061 6.311 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.891 7.023 5.527 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.684 8.697 8.014 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.833 9.290 6.601 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.575 8.441 5.979 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.574 11.098 7.208 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.747 12.345 6.771 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.093 10.052 5.410 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.745 11.751 5.750 1.00 0.00 H new ATOM 298 N SER A 21 -8.246 3.118 8.498 1.00 0.00 N ATOM 299 CA SER A 21 -8.702 2.222 9.546 1.00 0.00 C ATOM 300 C SER A 21 -7.569 1.282 9.961 1.00 0.00 C ATOM 301 O SER A 21 -7.289 1.127 11.149 1.00 0.00 O ATOM 302 CB SER A 21 -9.921 1.416 9.091 1.00 0.00 C ATOM 303 OG SER A 21 -11.033 1.592 9.963 1.00 0.00 O ATOM 0 H SER A 21 -8.630 2.923 7.573 1.00 0.00 H new ATOM 0 HA SER A 21 -8.999 2.824 10.405 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.200 1.719 8.082 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.660 0.359 9.045 1.00 0.00 H new ATOM 0 HG SER A 21 -11.791 1.063 9.637 1.00 0.00 H new ATOM 309 N ARG A 22 -6.947 0.678 8.959 1.00 0.00 N ATOM 310 CA ARG A 22 -5.851 -0.243 9.204 1.00 0.00 C ATOM 311 C ARG A 22 -4.707 0.473 9.925 1.00 0.00 C ATOM 312 O ARG A 22 -4.052 -0.108 10.789 1.00 0.00 O ATOM 313 CB ARG A 22 -5.327 -0.838 7.895 1.00 0.00 C ATOM 314 CG ARG A 22 -6.419 -1.635 7.179 1.00 0.00 C ATOM 315 CD ARG A 22 -5.877 -2.971 6.669 1.00 0.00 C ATOM 316 NE ARG A 22 -6.663 -3.423 5.499 1.00 0.00 N ATOM 317 CZ ARG A 22 -7.788 -4.145 5.583 1.00 0.00 C ATOM 318 NH1 ARG A 22 -8.267 -4.503 6.783 1.00 0.00 N ATOM 319 NH2 ARG A 22 -8.435 -4.511 4.468 1.00 0.00 N ATOM 0 H ARG A 22 -7.182 0.809 7.975 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.231 -1.051 9.830 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.970 -0.039 7.245 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.475 -1.486 8.101 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.251 -1.812 7.861 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.810 -1.054 6.343 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.828 -2.866 6.394 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.925 -3.719 7.461 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.327 -3.169 4.570 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.775 -4.225 7.632 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.124 -5.053 6.847 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.071 -4.240 3.555 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.292 -5.061 4.533 1.00 0.00 H new ATOM 333 N ALA A 23 -4.502 1.725 9.543 1.00 0.00 N ATOM 334 CA ALA A 23 -3.449 2.527 10.142 1.00 0.00 C ATOM 335 C ALA A 23 -3.804 2.820 11.601 1.00 0.00 C ATOM 336 O ALA A 23 -2.926 2.852 12.463 1.00 0.00 O ATOM 337 CB ALA A 23 -3.251 3.804 9.323 1.00 0.00 C ATOM 0 H ALA A 23 -5.047 2.204 8.826 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.503 1.985 10.135 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.461 4.406 9.772 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.972 3.542 8.302 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.179 4.375 9.310 1.00 0.00 H new ATOM 343 N HIS A 24 -5.092 3.026 11.834 1.00 0.00 N ATOM 344 CA HIS A 24 -5.573 3.314 13.174 1.00 0.00 C ATOM 345 C HIS A 24 -5.344 2.099 14.074 1.00 0.00 C ATOM 346 O HIS A 24 -4.863 2.236 15.198 1.00 0.00 O ATOM 347 CB HIS A 24 -7.036 3.760 13.141 1.00 0.00 C ATOM 348 CG HIS A 24 -7.350 4.907 14.071 1.00 0.00 C ATOM 349 ND1 HIS A 24 -8.576 5.052 14.697 1.00 0.00 N ATOM 350 CD2 HIS A 24 -6.585 5.962 14.476 1.00 0.00 C ATOM 351 CE1 HIS A 24 -8.539 6.147 15.442 1.00 0.00 C ATOM 352 NE2 HIS A 24 -7.304 6.710 15.303 1.00 0.00 N ATOM 0 H HIS A 24 -5.817 2.999 11.117 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.009 4.146 13.596 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.294 4.051 12.123 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.670 2.912 13.400 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.566 6.155 14.174 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.345 6.527 16.052 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -6.986 7.565 15.760 1.00 0.00 H new ATOM 360 N ASN A 25 -5.699 0.936 13.547 1.00 0.00 N ATOM 361 CA ASN A 25 -5.539 -0.302 14.289 1.00 0.00 C ATOM 362 C ASN A 25 -4.048 -0.586 14.482 1.00 0.00 C ATOM 363 O ASN A 25 -3.656 -1.237 15.450 1.00 0.00 O ATOM 364 CB ASN A 25 -6.150 -1.482 13.531 1.00 0.00 C ATOM 365 CG ASN A 25 -7.026 -2.332 14.454 1.00 0.00 C ATOM 366 OD1 ASN A 25 -6.568 -3.248 15.117 1.00 0.00 O ATOM 367 ND2 ASN A 25 -8.308 -1.979 14.459 1.00 0.00 N ATOM 0 H ASN A 25 -6.097 0.826 12.614 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.045 -0.188 15.248 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.746 -1.113 12.696 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.356 -2.098 13.108 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.974 -2.485 15.042 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.625 -1.202 13.880 1.00 0.00 H new ATOM 374 N LEU A 26 -3.256 -0.084 13.546 1.00 0.00 N ATOM 375 CA LEU A 26 -1.817 -0.275 13.601 1.00 0.00 C ATOM 376 C LEU A 26 -1.188 0.851 14.424 1.00 0.00 C ATOM 377 O LEU A 26 -0.007 0.791 14.763 1.00 0.00 O ATOM 378 CB LEU A 26 -1.239 -0.402 12.190 1.00 0.00 C ATOM 379 CG LEU A 26 -1.620 -1.669 11.421 1.00 0.00 C ATOM 380 CD1 LEU A 26 -1.136 -1.597 9.971 1.00 0.00 C ATOM 381 CD2 LEU A 26 -1.105 -2.920 12.135 1.00 0.00 C ATOM 0 H LEU A 26 -3.584 0.455 12.745 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.576 -1.211 14.105 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.559 0.462 11.608 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.152 -0.355 12.258 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.707 -1.738 11.395 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.420 -2.510 9.447 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.592 -0.739 9.477 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.051 -1.491 9.954 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.390 -3.806 11.567 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.019 -2.873 12.214 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.539 -2.974 13.133 1.00 0.00 H new ATOM 393 N SER A 27 -2.005 1.851 14.720 1.00 0.00 N ATOM 394 CA SER A 27 -1.543 2.989 15.497 1.00 0.00 C ATOM 395 C SER A 27 -0.568 3.827 14.668 1.00 0.00 C ATOM 396 O SER A 27 0.513 4.177 15.140 1.00 0.00 O ATOM 397 CB SER A 27 -0.878 2.535 16.798 1.00 0.00 C ATOM 398 OG SER A 27 -1.629 1.515 17.453 1.00 0.00 O ATOM 0 H SER A 27 -2.984 1.897 14.436 1.00 0.00 H new ATOM 0 HA SER A 27 -2.408 3.599 15.757 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.125 2.166 16.583 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.767 3.389 17.466 1.00 0.00 H new ATOM 0 HG SER A 27 -1.171 1.251 18.278 1.00 0.00 H new ATOM 404 N VAL A 28 -0.985 4.126 13.447 1.00 0.00 N ATOM 405 CA VAL A 28 -0.162 4.917 12.547 1.00 0.00 C ATOM 406 C VAL A 28 -1.049 5.909 11.791 1.00 0.00 C ATOM 407 O VAL A 28 -2.229 5.645 11.564 1.00 0.00 O ATOM 408 CB VAL A 28 0.632 3.997 11.618 1.00 0.00 C ATOM 409 CG1 VAL A 28 1.743 3.273 12.382 1.00 0.00 C ATOM 410 CG2 VAL A 28 -0.291 2.999 10.916 1.00 0.00 C ATOM 0 H VAL A 28 -1.882 3.835 13.059 1.00 0.00 H new ATOM 0 HA VAL A 28 0.569 5.497 13.110 1.00 0.00 H new ATOM 0 HB VAL A 28 1.100 4.616 10.853 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.292 2.625 11.699 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.425 4.006 12.814 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.305 2.671 13.178 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.298 2.357 10.261 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.800 2.388 11.661 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.029 3.540 10.324 1.00 0.00 H new ATOM 420 N GLU A 29 -0.447 7.030 11.422 1.00 0.00 N ATOM 421 CA GLU A 29 -1.167 8.063 10.697 1.00 0.00 C ATOM 422 C GLU A 29 -0.615 8.196 9.276 1.00 0.00 C ATOM 423 O GLU A 29 0.597 8.276 9.082 1.00 0.00 O ATOM 424 CB GLU A 29 -1.103 9.400 11.437 1.00 0.00 C ATOM 425 CG GLU A 29 -1.862 10.487 10.674 1.00 0.00 C ATOM 426 CD GLU A 29 -0.986 11.724 10.465 1.00 0.00 C ATOM 427 OE1 GLU A 29 0.201 11.528 10.125 1.00 0.00 O ATOM 428 OE2 GLU A 29 -1.523 12.837 10.651 1.00 0.00 O ATOM 0 H GLU A 29 0.532 7.246 11.612 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.215 7.771 10.634 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.527 9.288 12.435 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.063 9.699 11.565 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.186 10.099 9.708 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.761 10.763 11.225 1.00 0.00 H new ATOM 435 N ILE A 30 -1.531 8.216 8.319 1.00 0.00 N ATOM 436 CA ILE A 30 -1.151 8.338 6.922 1.00 0.00 C ATOM 437 C ILE A 30 -2.087 9.329 6.228 1.00 0.00 C ATOM 438 O ILE A 30 -3.206 9.557 6.686 1.00 0.00 O ATOM 439 CB ILE A 30 -1.110 6.961 6.255 1.00 0.00 C ATOM 440 CG1 ILE A 30 -2.500 6.320 6.235 1.00 0.00 C ATOM 441 CG2 ILE A 30 -0.073 6.058 6.925 1.00 0.00 C ATOM 442 CD1 ILE A 30 -2.445 4.911 5.643 1.00 0.00 C ATOM 0 H ILE A 30 -2.535 8.150 8.484 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.141 8.739 6.836 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.801 7.093 5.218 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.899 6.277 7.248 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.181 6.938 5.650 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.064 5.086 6.432 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.913 6.515 6.844 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.328 5.929 7.977 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.445 4.478 5.640 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.068 4.960 4.621 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.782 4.289 6.245 1.00 0.00 H new ATOM 454 N LYS A 31 -1.595 9.892 5.134 1.00 0.00 N ATOM 455 CA LYS A 31 -2.374 10.854 4.373 1.00 0.00 C ATOM 456 C LYS A 31 -2.676 10.278 2.988 1.00 0.00 C ATOM 457 O LYS A 31 -2.080 9.280 2.584 1.00 0.00 O ATOM 458 CB LYS A 31 -1.663 12.208 4.333 1.00 0.00 C ATOM 459 CG LYS A 31 -2.115 13.099 5.492 1.00 0.00 C ATOM 460 CD LYS A 31 -2.566 14.470 4.986 1.00 0.00 C ATOM 461 CE LYS A 31 -1.410 15.472 5.013 1.00 0.00 C ATOM 462 NZ LYS A 31 -1.918 16.844 5.240 1.00 0.00 N ATOM 0 H LYS A 31 -0.667 9.700 4.757 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.332 11.037 4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.585 12.058 4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.871 12.704 3.385 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.933 12.618 6.027 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.297 13.221 6.202 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.949 14.379 3.970 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.385 14.838 5.603 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.707 15.203 5.801 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.864 15.431 4.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.120 17.511 5.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.572 17.103 4.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.419 16.882 6.150 1.00 0.00 H new ATOM 476 N LYS A 32 -3.600 10.930 2.299 1.00 0.00 N ATOM 477 CA LYS A 32 -3.988 10.495 0.968 1.00 0.00 C ATOM 478 C LYS A 32 -3.087 11.170 -0.068 1.00 0.00 C ATOM 479 O LYS A 32 -2.788 10.588 -1.109 1.00 0.00 O ATOM 480 CB LYS A 32 -5.481 10.741 0.738 1.00 0.00 C ATOM 481 CG LYS A 32 -5.859 10.488 -0.723 1.00 0.00 C ATOM 482 CD LYS A 32 -7.329 10.829 -0.976 1.00 0.00 C ATOM 483 CE LYS A 32 -8.214 9.591 -0.816 1.00 0.00 C ATOM 484 NZ LYS A 32 -9.549 9.972 -0.302 1.00 0.00 N ATOM 0 H LYS A 32 -4.092 11.757 2.637 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.845 9.420 0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.065 10.088 1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.730 11.767 1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.225 11.088 -1.376 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.676 9.443 -0.974 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.651 11.603 -0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.444 11.235 -1.981 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.318 9.084 -1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.742 8.885 -0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.137 9.121 -0.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.445 10.435 0.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.003 10.628 -0.969 1.00 0.00 H new ATOM 498 N GLY A 33 -2.678 12.389 0.255 1.00 0.00 N ATOM 499 CA GLY A 33 -1.817 13.149 -0.635 1.00 0.00 C ATOM 500 C GLY A 33 -0.486 12.429 -0.857 1.00 0.00 C ATOM 501 O GLY A 33 -0.062 12.237 -1.996 1.00 0.00 O ATOM 0 H GLY A 33 -2.927 12.868 1.120 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.318 13.298 -1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.634 14.137 -0.213 1.00 0.00 H new ATOM 505 N PRO A 34 0.154 12.039 0.278 1.00 0.00 N ATOM 506 CA PRO A 34 1.428 11.343 0.218 1.00 0.00 C ATOM 507 C PRO A 34 1.239 9.889 -0.216 1.00 0.00 C ATOM 508 O PRO A 34 2.035 9.360 -0.991 1.00 0.00 O ATOM 509 CB PRO A 34 2.014 11.475 1.614 1.00 0.00 C ATOM 510 CG PRO A 34 0.849 11.831 2.524 1.00 0.00 C ATOM 511 CD PRO A 34 -0.318 12.249 1.644 1.00 0.00 C ATOM 0 HA PRO A 34 2.104 11.766 -0.525 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.485 10.544 1.929 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.783 12.247 1.643 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.574 10.977 3.143 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.126 12.640 3.200 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.205 11.651 1.853 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.589 13.291 1.814 1.00 0.00 H new ATOM 519 N TRP A 35 0.181 9.283 0.301 1.00 0.00 N ATOM 520 CA TRP A 35 -0.123 7.899 -0.023 1.00 0.00 C ATOM 521 C TRP A 35 -0.058 7.746 -1.544 1.00 0.00 C ATOM 522 O TRP A 35 0.474 6.758 -2.050 1.00 0.00 O ATOM 523 CB TRP A 35 -1.473 7.482 0.563 1.00 0.00 C ATOM 524 CG TRP A 35 -1.995 6.145 0.033 1.00 0.00 C ATOM 525 CD1 TRP A 35 -2.645 5.910 -1.115 1.00 0.00 C ATOM 526 CD2 TRP A 35 -1.884 4.861 0.682 1.00 0.00 C ATOM 527 NE1 TRP A 35 -2.960 4.573 -1.253 1.00 0.00 N ATOM 528 CE2 TRP A 35 -2.482 3.915 -0.125 1.00 0.00 C ATOM 529 CE3 TRP A 35 -1.297 4.510 1.910 1.00 0.00 C ATOM 530 CZ2 TRP A 35 -2.552 2.557 0.207 1.00 0.00 C ATOM 531 CZ3 TRP A 35 -1.375 3.149 2.228 1.00 0.00 C ATOM 532 CH2 TRP A 35 -1.974 2.184 1.426 1.00 0.00 C ATOM 0 H TRP A 35 -0.477 9.725 0.943 1.00 0.00 H new ATOM 0 HA TRP A 35 0.608 7.227 0.427 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.384 7.421 1.648 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.207 8.258 0.347 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.891 6.671 -1.841 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -3.453 4.146 -2.038 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.823 5.233 2.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -3.026 1.836 -0.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.939 2.826 3.162 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.993 1.151 1.742 1.00 0.00 H new ATOM 543 N ARG A 36 -0.608 8.737 -2.231 1.00 0.00 N ATOM 544 CA ARG A 36 -0.619 8.724 -3.684 1.00 0.00 C ATOM 545 C ARG A 36 0.782 9.011 -4.228 1.00 0.00 C ATOM 546 O ARG A 36 1.275 8.291 -5.095 1.00 0.00 O ATOM 547 CB ARG A 36 -1.597 9.763 -4.236 1.00 0.00 C ATOM 548 CG ARG A 36 -1.397 9.959 -5.741 1.00 0.00 C ATOM 549 CD ARG A 36 -2.622 10.620 -6.375 1.00 0.00 C ATOM 550 NE ARG A 36 -2.520 10.564 -7.851 1.00 0.00 N ATOM 551 CZ ARG A 36 -2.645 9.441 -8.570 1.00 0.00 C ATOM 552 NH1 ARG A 36 -2.877 8.273 -7.955 1.00 0.00 N ATOM 553 NH2 ARG A 36 -2.538 9.484 -9.905 1.00 0.00 N ATOM 0 H ARG A 36 -1.049 9.554 -1.808 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.940 7.733 -4.005 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.621 9.444 -4.040 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.454 10.712 -3.720 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.515 10.575 -5.917 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.213 8.995 -6.216 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.530 10.114 -6.045 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.697 11.657 -6.046 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.344 11.435 -8.352 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.958 8.239 -6.939 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.972 7.418 -8.503 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.361 10.372 -10.374 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.633 8.628 -10.452 1.00 0.00 H new ATOM 567 N THR A 37 1.383 10.065 -3.697 1.00 0.00 N ATOM 568 CA THR A 37 2.718 10.457 -4.119 1.00 0.00 C ATOM 569 C THR A 37 3.688 9.283 -3.975 1.00 0.00 C ATOM 570 O THR A 37 4.387 8.931 -4.924 1.00 0.00 O ATOM 571 CB THR A 37 3.128 11.688 -3.308 1.00 0.00 C ATOM 572 OG1 THR A 37 2.400 12.757 -3.907 1.00 0.00 O ATOM 573 CG2 THR A 37 4.594 12.069 -3.523 1.00 0.00 C ATOM 0 H THR A 37 0.971 10.660 -2.978 1.00 0.00 H new ATOM 0 HA THR A 37 2.737 10.726 -5.175 1.00 0.00 H new ATOM 0 HB THR A 37 2.954 11.499 -2.249 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.516 12.825 -3.490 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.833 12.948 -2.925 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.234 11.240 -3.221 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.762 12.291 -4.577 1.00 0.00 H new ATOM 581 N PHE A 38 3.701 8.710 -2.781 1.00 0.00 N ATOM 582 CA PHE A 38 4.574 7.583 -2.500 1.00 0.00 C ATOM 583 C PHE A 38 4.304 6.427 -3.465 1.00 0.00 C ATOM 584 O PHE A 38 5.202 5.641 -3.765 1.00 0.00 O ATOM 585 CB PHE A 38 4.267 7.124 -1.073 1.00 0.00 C ATOM 586 CG PHE A 38 4.814 8.054 0.011 1.00 0.00 C ATOM 587 CD1 PHE A 38 6.038 8.628 -0.139 1.00 0.00 C ATOM 588 CD2 PHE A 38 4.077 8.307 1.125 1.00 0.00 C ATOM 589 CE1 PHE A 38 6.546 9.492 0.867 1.00 0.00 C ATOM 590 CE2 PHE A 38 4.584 9.170 2.132 1.00 0.00 C ATOM 591 CZ PHE A 38 5.808 9.745 1.982 1.00 0.00 C ATOM 0 H PHE A 38 3.120 9.005 -1.996 1.00 0.00 H new ATOM 0 HA PHE A 38 5.616 7.881 -2.616 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.187 7.040 -0.954 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.683 6.127 -0.926 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.624 8.427 -1.024 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.105 7.851 1.244 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.518 9.948 0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.998 9.370 3.017 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.194 10.402 2.748 1.00 0.00 H new ATOM 601 N CYS A 39 3.063 6.359 -3.924 1.00 0.00 N ATOM 602 CA CYS A 39 2.664 5.312 -4.849 1.00 0.00 C ATOM 603 C CYS A 39 2.605 5.910 -6.256 1.00 0.00 C ATOM 604 O CYS A 39 2.084 5.286 -7.179 1.00 0.00 O ATOM 605 CB CYS A 39 1.332 4.677 -4.443 1.00 0.00 C ATOM 606 SG CYS A 39 1.134 3.056 -5.269 1.00 0.00 S ATOM 0 H CYS A 39 2.321 7.012 -3.673 1.00 0.00 H new ATOM 0 HA CYS A 39 3.398 4.506 -4.829 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.295 4.550 -3.361 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.508 5.336 -4.715 1.00 0.00 H new ATOM 0 HG CYS A 39 1.479 3.160 -6.518 1.00 0.00 H new ATOM 612 N ALA A 40 3.149 7.112 -6.376 1.00 0.00 N ATOM 613 CA ALA A 40 3.165 7.802 -7.655 1.00 0.00 C ATOM 614 C ALA A 40 4.500 7.538 -8.354 1.00 0.00 C ATOM 615 O ALA A 40 4.547 6.850 -9.373 1.00 0.00 O ATOM 616 CB ALA A 40 2.906 9.293 -7.435 1.00 0.00 C ATOM 0 H ALA A 40 3.582 7.626 -5.609 1.00 0.00 H new ATOM 0 HA ALA A 40 2.373 7.427 -8.304 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.918 9.810 -8.395 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.933 9.427 -6.963 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.682 9.706 -6.791 1.00 0.00 H new ATOM 622 N SER A 41 5.554 8.100 -7.779 1.00 0.00 N ATOM 623 CA SER A 41 6.886 7.935 -8.335 1.00 0.00 C ATOM 624 C SER A 41 7.914 7.832 -7.206 1.00 0.00 C ATOM 625 O SER A 41 9.027 8.342 -7.327 1.00 0.00 O ATOM 626 CB SER A 41 7.240 9.092 -9.271 1.00 0.00 C ATOM 627 OG SER A 41 7.745 8.631 -10.521 1.00 0.00 O ATOM 0 H SER A 41 5.512 8.670 -6.934 1.00 0.00 H new ATOM 0 HA SER A 41 6.902 7.014 -8.918 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.355 9.705 -9.441 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.983 9.731 -8.793 1.00 0.00 H new ATOM 0 HG SER A 41 7.958 9.399 -11.091 1.00 0.00 H new ATOM 633 N GLU A 42 7.505 7.169 -6.135 1.00 0.00 N ATOM 634 CA GLU A 42 8.376 6.993 -4.985 1.00 0.00 C ATOM 635 C GLU A 42 8.706 5.512 -4.792 1.00 0.00 C ATOM 636 O GLU A 42 9.874 5.142 -4.679 1.00 0.00 O ATOM 637 CB GLU A 42 7.746 7.584 -3.723 1.00 0.00 C ATOM 638 CG GLU A 42 8.821 8.018 -2.724 1.00 0.00 C ATOM 639 CD GLU A 42 9.245 9.467 -2.971 1.00 0.00 C ATOM 640 OE1 GLU A 42 8.333 10.309 -3.112 1.00 0.00 O ATOM 641 OE2 GLU A 42 10.473 9.699 -3.013 1.00 0.00 O ATOM 0 H GLU A 42 6.581 6.747 -6.039 1.00 0.00 H new ATOM 0 HA GLU A 42 9.305 7.531 -5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.125 8.440 -3.989 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.091 6.846 -3.260 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.441 7.915 -1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.687 7.362 -2.809 1.00 0.00 H new ATOM 648 N TRP A 43 7.657 4.704 -4.758 1.00 0.00 N ATOM 649 CA TRP A 43 7.820 3.271 -4.580 1.00 0.00 C ATOM 650 C TRP A 43 8.269 2.677 -5.916 1.00 0.00 C ATOM 651 O TRP A 43 9.165 1.834 -5.955 1.00 0.00 O ATOM 652 CB TRP A 43 6.536 2.635 -4.044 1.00 0.00 C ATOM 653 CG TRP A 43 6.233 2.980 -2.584 1.00 0.00 C ATOM 654 CD1 TRP A 43 7.089 3.391 -1.639 1.00 0.00 C ATOM 655 CD2 TRP A 43 4.943 2.926 -1.938 1.00 0.00 C ATOM 656 NE1 TRP A 43 6.448 3.605 -0.435 1.00 0.00 N ATOM 657 CE2 TRP A 43 5.102 3.313 -0.623 1.00 0.00 C ATOM 658 CE3 TRP A 43 3.685 2.562 -2.448 1.00 0.00 C ATOM 659 CZ2 TRP A 43 4.044 3.374 0.291 1.00 0.00 C ATOM 660 CZ3 TRP A 43 2.637 2.628 -1.522 1.00 0.00 C ATOM 661 CH2 TRP A 43 2.780 3.016 -0.195 1.00 0.00 C ATOM 0 H TRP A 43 6.690 5.015 -4.851 1.00 0.00 H new ATOM 0 HA TRP A 43 8.583 3.060 -3.831 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.698 2.955 -4.664 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.610 1.552 -4.143 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.147 3.537 -1.799 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.882 3.919 0.433 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.538 2.256 -3.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.194 3.681 1.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.648 2.359 -1.863 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.920 3.041 0.458 1.00 0.00 H new ATOM 672 N PRO A 44 7.610 3.151 -7.007 1.00 0.00 N ATOM 673 CA PRO A 44 7.932 2.675 -8.341 1.00 0.00 C ATOM 674 C PRO A 44 9.250 3.276 -8.834 1.00 0.00 C ATOM 675 O PRO A 44 9.669 3.021 -9.962 1.00 0.00 O ATOM 676 CB PRO A 44 6.741 3.072 -9.198 1.00 0.00 C ATOM 677 CG PRO A 44 6.011 4.156 -8.422 1.00 0.00 C ATOM 678 CD PRO A 44 6.544 4.148 -6.998 1.00 0.00 C ATOM 0 HA PRO A 44 8.090 1.597 -8.377 1.00 0.00 H new ATOM 0 HB2 PRO A 44 7.066 3.440 -10.171 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.090 2.217 -9.381 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.171 5.130 -8.884 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.937 3.973 -8.429 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.922 5.129 -6.711 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.763 3.886 -6.284 1.00 0.00 H new ATOM 686 N THR A 45 9.866 4.063 -7.965 1.00 0.00 N ATOM 687 CA THR A 45 11.128 4.702 -8.297 1.00 0.00 C ATOM 688 C THR A 45 12.239 4.205 -7.370 1.00 0.00 C ATOM 689 O THR A 45 13.258 4.872 -7.203 1.00 0.00 O ATOM 690 CB THR A 45 10.921 6.217 -8.239 1.00 0.00 C ATOM 691 OG1 THR A 45 10.365 6.442 -6.946 1.00 0.00 O ATOM 692 CG2 THR A 45 9.832 6.696 -9.201 1.00 0.00 C ATOM 0 H THR A 45 9.515 4.273 -7.031 1.00 0.00 H new ATOM 0 HA THR A 45 11.449 4.441 -9.306 1.00 0.00 H new ATOM 0 HB THR A 45 11.859 6.721 -8.472 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.107 7.384 -6.860 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.725 7.778 -9.120 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.108 6.434 -10.222 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.886 6.218 -8.947 1.00 0.00 H new ATOM 700 N PHE A 46 12.004 3.036 -6.791 1.00 0.00 N ATOM 701 CA PHE A 46 12.971 2.442 -5.885 1.00 0.00 C ATOM 702 C PHE A 46 13.763 1.332 -6.579 1.00 0.00 C ATOM 703 O PHE A 46 14.606 0.685 -5.960 1.00 0.00 O ATOM 704 CB PHE A 46 12.183 1.839 -4.721 1.00 0.00 C ATOM 705 CG PHE A 46 11.864 2.833 -3.603 1.00 0.00 C ATOM 706 CD1 PHE A 46 12.042 4.166 -3.808 1.00 0.00 C ATOM 707 CD2 PHE A 46 11.403 2.385 -2.405 1.00 0.00 C ATOM 708 CE1 PHE A 46 11.746 5.090 -2.770 1.00 0.00 C ATOM 709 CE2 PHE A 46 11.107 3.308 -1.367 1.00 0.00 C ATOM 710 CZ PHE A 46 11.285 4.641 -1.572 1.00 0.00 C ATOM 0 H PHE A 46 11.157 2.485 -6.932 1.00 0.00 H new ATOM 0 HA PHE A 46 13.678 3.200 -5.548 1.00 0.00 H new ATOM 0 HB2 PHE A 46 11.249 1.426 -5.103 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.751 1.008 -4.303 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.408 4.522 -4.760 1.00 0.00 H new ATOM 0 HD2 PHE A 46 11.262 1.327 -2.243 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.887 6.148 -2.932 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.741 2.952 -0.415 1.00 0.00 H new ATOM 0 HZ PHE A 46 11.060 5.343 -0.783 1.00 0.00 H new ATOM 720 N ASP A 47 13.462 1.144 -7.856 1.00 0.00 N ATOM 721 CA ASP A 47 14.135 0.123 -8.641 1.00 0.00 C ATOM 722 C ASP A 47 13.979 -1.232 -7.948 1.00 0.00 C ATOM 723 O ASP A 47 14.856 -1.651 -7.194 1.00 0.00 O ATOM 724 CB ASP A 47 15.630 0.421 -8.767 1.00 0.00 C ATOM 725 CG ASP A 47 15.980 1.601 -9.676 1.00 0.00 C ATOM 726 OD1 ASP A 47 15.104 1.973 -10.485 1.00 0.00 O ATOM 727 OD2 ASP A 47 17.117 2.103 -9.541 1.00 0.00 O ATOM 0 H ASP A 47 12.761 1.681 -8.366 1.00 0.00 H new ATOM 0 HA ASP A 47 13.686 0.110 -9.634 1.00 0.00 H new ATOM 0 HB2 ASP A 47 16.031 0.616 -7.773 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.132 -0.470 -9.144 1.00 0.00 H new ATOM 732 N VAL A 48 12.857 -1.879 -8.228 1.00 0.00 N ATOM 733 CA VAL A 48 12.576 -3.178 -7.641 1.00 0.00 C ATOM 734 C VAL A 48 11.560 -3.917 -8.513 1.00 0.00 C ATOM 735 O VAL A 48 11.788 -5.061 -8.905 1.00 0.00 O ATOM 736 CB VAL A 48 12.110 -3.008 -6.194 1.00 0.00 C ATOM 737 CG1 VAL A 48 13.267 -2.571 -5.293 1.00 0.00 C ATOM 738 CG2 VAL A 48 10.943 -2.022 -6.106 1.00 0.00 C ATOM 0 H VAL A 48 12.132 -1.528 -8.854 1.00 0.00 H new ATOM 0 HA VAL A 48 13.480 -3.786 -7.608 1.00 0.00 H new ATOM 0 HB VAL A 48 11.757 -3.977 -5.840 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.909 -2.457 -4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 48 14.054 -3.325 -5.320 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.664 -1.619 -5.646 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.631 -1.919 -5.067 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.258 -1.051 -6.488 1.00 0.00 H new ATOM 0 HG23 VAL A 48 10.108 -2.393 -6.701 1.00 0.00 H new ATOM 748 N GLY A 49 10.459 -3.234 -8.793 1.00 0.00 N ATOM 749 CA GLY A 49 9.407 -3.812 -9.612 1.00 0.00 C ATOM 750 C GLY A 49 8.025 -3.414 -9.090 1.00 0.00 C ATOM 751 O GLY A 49 7.115 -4.240 -9.038 1.00 0.00 O ATOM 0 H GLY A 49 10.273 -2.286 -8.467 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.520 -3.479 -10.644 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.499 -4.898 -9.616 1.00 0.00 H new ATOM 755 N TRP A 50 7.911 -2.148 -8.717 1.00 0.00 N ATOM 756 CA TRP A 50 6.655 -1.630 -8.201 1.00 0.00 C ATOM 757 C TRP A 50 6.015 -0.769 -9.292 1.00 0.00 C ATOM 758 O TRP A 50 6.642 0.158 -9.804 1.00 0.00 O ATOM 759 CB TRP A 50 6.872 -0.871 -6.890 1.00 0.00 C ATOM 760 CG TRP A 50 5.619 -0.168 -6.364 1.00 0.00 C ATOM 761 CD1 TRP A 50 5.081 0.985 -6.785 1.00 0.00 C ATOM 762 CD2 TRP A 50 4.764 -0.622 -5.293 1.00 0.00 C ATOM 763 NE1 TRP A 50 3.947 1.306 -6.068 1.00 0.00 N ATOM 764 CE2 TRP A 50 3.748 0.297 -5.132 1.00 0.00 C ATOM 765 CE3 TRP A 50 4.847 -1.772 -4.488 1.00 0.00 C ATOM 766 CZ2 TRP A 50 2.737 0.162 -4.173 1.00 0.00 C ATOM 767 CZ3 TRP A 50 3.829 -1.892 -3.534 1.00 0.00 C ATOM 768 CH2 TRP A 50 2.799 -0.976 -3.359 1.00 0.00 C ATOM 0 H TRP A 50 8.668 -1.465 -8.762 1.00 0.00 H new ATOM 0 HA TRP A 50 5.973 -2.444 -7.956 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.230 -1.569 -6.133 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.658 -0.130 -7.037 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.485 1.587 -7.585 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.362 2.131 -6.200 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.633 -2.504 -4.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.952 0.896 -4.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.846 -2.758 -2.889 1.00 0.00 H new ATOM 0 HH2 TRP A 50 2.050 -1.141 -2.599 1.00 0.00 H new ATOM 779 N PRO A 51 4.742 -1.113 -9.624 1.00 0.00 N ATOM 780 CA PRO A 51 4.011 -0.382 -10.644 1.00 0.00 C ATOM 781 C PRO A 51 3.542 0.975 -10.117 1.00 0.00 C ATOM 782 O PRO A 51 3.520 1.201 -8.908 1.00 0.00 O ATOM 783 CB PRO A 51 2.861 -1.296 -11.035 1.00 0.00 C ATOM 784 CG PRO A 51 2.720 -2.297 -9.900 1.00 0.00 C ATOM 785 CD PRO A 51 3.969 -2.204 -9.039 1.00 0.00 C ATOM 0 HA PRO A 51 4.626 -0.143 -11.512 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.940 -0.729 -11.172 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.067 -1.802 -11.978 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.831 -2.080 -9.308 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.602 -3.307 -10.294 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.718 -1.998 -7.998 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.530 -3.139 -9.053 1.00 0.00 H new ATOM 793 N PRO A 52 3.170 1.867 -11.074 1.00 0.00 N ATOM 794 CA PRO A 52 2.703 3.196 -10.718 1.00 0.00 C ATOM 795 C PRO A 52 1.279 3.146 -10.161 1.00 0.00 C ATOM 796 O PRO A 52 0.943 3.887 -9.238 1.00 0.00 O ATOM 797 CB PRO A 52 2.812 4.007 -11.999 1.00 0.00 C ATOM 798 CG PRO A 52 2.892 2.994 -13.128 1.00 0.00 C ATOM 799 CD PRO A 52 3.183 1.634 -12.515 1.00 0.00 C ATOM 0 HA PRO A 52 3.294 3.651 -9.923 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.949 4.661 -12.122 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.696 4.645 -11.983 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.956 2.969 -13.685 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.676 3.270 -13.834 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.431 0.900 -12.804 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.148 1.249 -12.845 1.00 0.00 H new ATOM 807 N GLU A 53 0.480 2.265 -10.745 1.00 0.00 N ATOM 808 CA GLU A 53 -0.900 2.109 -10.319 1.00 0.00 C ATOM 809 C GLU A 53 -0.963 1.357 -8.988 1.00 0.00 C ATOM 810 O GLU A 53 -2.007 1.323 -8.338 1.00 0.00 O ATOM 811 CB GLU A 53 -1.728 1.396 -11.391 1.00 0.00 C ATOM 812 CG GLU A 53 -1.733 2.190 -12.698 1.00 0.00 C ATOM 813 CD GLU A 53 -0.913 1.477 -13.776 1.00 0.00 C ATOM 814 OE1 GLU A 53 -1.212 0.289 -14.022 1.00 0.00 O ATOM 815 OE2 GLU A 53 -0.007 2.137 -14.329 1.00 0.00 O ATOM 0 H GLU A 53 0.762 1.652 -11.510 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.329 3.101 -10.175 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.321 0.400 -11.568 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.751 1.264 -11.038 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.758 2.322 -13.044 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.325 3.186 -12.524 1.00 0.00 H new ATOM 822 N GLY A 54 0.168 0.773 -8.621 1.00 0.00 N ATOM 823 CA GLY A 54 0.255 0.024 -7.379 1.00 0.00 C ATOM 824 C GLY A 54 0.040 -1.471 -7.624 1.00 0.00 C ATOM 825 O GLY A 54 -0.246 -1.885 -8.746 1.00 0.00 O ATOM 0 H GLY A 54 1.032 0.803 -9.162 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.231 0.184 -6.921 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.492 0.392 -6.675 1.00 0.00 H new ATOM 829 N THR A 55 0.184 -2.240 -6.554 1.00 0.00 N ATOM 830 CA THR A 55 0.009 -3.680 -6.639 1.00 0.00 C ATOM 831 C THR A 55 -0.275 -4.265 -5.254 1.00 0.00 C ATOM 832 O THR A 55 0.152 -3.710 -4.243 1.00 0.00 O ATOM 833 CB THR A 55 1.255 -4.269 -7.304 1.00 0.00 C ATOM 834 OG1 THR A 55 0.903 -5.626 -7.558 1.00 0.00 O ATOM 835 CG2 THR A 55 2.441 -4.366 -6.343 1.00 0.00 C ATOM 0 H THR A 55 0.420 -1.893 -5.624 1.00 0.00 H new ATOM 0 HA THR A 55 -0.856 -3.938 -7.250 1.00 0.00 H new ATOM 0 HB THR A 55 1.532 -3.657 -8.162 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.654 -6.083 -7.990 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.299 -4.790 -6.865 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.695 -3.371 -5.977 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.176 -5.006 -5.501 1.00 0.00 H new ATOM 843 N PHE A 56 -0.993 -5.378 -5.253 1.00 0.00 N ATOM 844 CA PHE A 56 -1.339 -6.044 -4.009 1.00 0.00 C ATOM 845 C PHE A 56 -0.569 -7.358 -3.858 1.00 0.00 C ATOM 846 O PHE A 56 -1.120 -8.355 -3.395 1.00 0.00 O ATOM 847 CB PHE A 56 -2.837 -6.349 -4.067 1.00 0.00 C ATOM 848 CG PHE A 56 -3.730 -5.142 -3.771 1.00 0.00 C ATOM 849 CD1 PHE A 56 -3.650 -4.516 -2.566 1.00 0.00 C ATOM 850 CD2 PHE A 56 -4.602 -4.694 -4.714 1.00 0.00 C ATOM 851 CE1 PHE A 56 -4.479 -3.396 -2.292 1.00 0.00 C ATOM 852 CE2 PHE A 56 -5.431 -3.574 -4.440 1.00 0.00 C ATOM 853 CZ PHE A 56 -5.351 -2.948 -3.235 1.00 0.00 C ATOM 0 H PHE A 56 -1.345 -5.836 -6.094 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.086 -5.406 -3.162 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.081 -6.734 -5.057 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.064 -7.140 -3.352 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.956 -4.871 -1.818 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.664 -5.190 -5.671 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.417 -2.900 -1.335 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.125 -3.219 -5.188 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.980 -2.095 -3.027 1.00 0.00 H new ATOM 863 N ASP A 57 0.694 -7.316 -4.258 1.00 0.00 N ATOM 864 CA ASP A 57 1.545 -8.490 -4.173 1.00 0.00 C ATOM 865 C ASP A 57 2.525 -8.321 -3.010 1.00 0.00 C ATOM 866 O ASP A 57 3.438 -7.500 -3.078 1.00 0.00 O ATOM 867 CB ASP A 57 2.359 -8.674 -5.455 1.00 0.00 C ATOM 868 CG ASP A 57 2.767 -10.116 -5.761 1.00 0.00 C ATOM 869 OD1 ASP A 57 2.091 -11.022 -5.226 1.00 0.00 O ATOM 870 OD2 ASP A 57 3.744 -10.281 -6.522 1.00 0.00 O ATOM 0 H ASP A 57 1.148 -6.487 -4.642 1.00 0.00 H new ATOM 0 HA ASP A 57 0.906 -9.360 -4.024 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.778 -8.291 -6.294 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.260 -8.064 -5.386 1.00 0.00 H new ATOM 875 N LEU A 58 2.302 -9.111 -1.970 1.00 0.00 N ATOM 876 CA LEU A 58 3.154 -9.059 -0.795 1.00 0.00 C ATOM 877 C LEU A 58 4.620 -9.035 -1.233 1.00 0.00 C ATOM 878 O LEU A 58 5.435 -8.321 -0.650 1.00 0.00 O ATOM 879 CB LEU A 58 2.817 -10.204 0.163 1.00 0.00 C ATOM 880 CG LEU A 58 2.757 -9.841 1.648 1.00 0.00 C ATOM 881 CD1 LEU A 58 1.404 -9.225 2.008 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.086 -11.053 2.522 1.00 0.00 C ATOM 0 H LEU A 58 1.543 -9.791 -1.917 1.00 0.00 H new ATOM 0 HA LEU A 58 2.973 -8.142 -0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.853 -10.622 -0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.559 -10.991 0.032 1.00 0.00 H new ATOM 0 HG LEU A 58 3.517 -9.085 1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.388 -8.976 3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.249 -8.320 1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.610 -9.939 1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.036 -10.768 3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.366 -11.848 2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.090 -11.408 2.289 1.00 0.00 H new ATOM 894 N THR A 59 4.911 -9.824 -2.257 1.00 0.00 N ATOM 895 CA THR A 59 6.264 -9.903 -2.780 1.00 0.00 C ATOM 896 C THR A 59 6.755 -8.516 -3.200 1.00 0.00 C ATOM 897 O THR A 59 7.835 -8.087 -2.798 1.00 0.00 O ATOM 898 CB THR A 59 6.272 -10.922 -3.921 1.00 0.00 C ATOM 899 OG1 THR A 59 6.223 -12.183 -3.261 1.00 0.00 O ATOM 900 CG2 THR A 59 7.603 -10.947 -4.675 1.00 0.00 C ATOM 0 H THR A 59 4.233 -10.414 -2.738 1.00 0.00 H new ATOM 0 HA THR A 59 6.964 -10.244 -2.017 1.00 0.00 H new ATOM 0 HB THR A 59 5.465 -10.693 -4.617 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.223 -12.901 -3.928 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.555 -11.687 -5.474 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.797 -9.963 -5.103 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.406 -11.209 -3.986 1.00 0.00 H new ATOM 908 N VAL A 60 5.937 -7.853 -4.005 1.00 0.00 N ATOM 909 CA VAL A 60 6.274 -6.523 -4.484 1.00 0.00 C ATOM 910 C VAL A 60 6.248 -5.541 -3.311 1.00 0.00 C ATOM 911 O VAL A 60 6.987 -4.557 -3.304 1.00 0.00 O ATOM 912 CB VAL A 60 5.331 -6.122 -5.620 1.00 0.00 C ATOM 913 CG1 VAL A 60 5.607 -4.690 -6.082 1.00 0.00 C ATOM 914 CG2 VAL A 60 5.430 -7.104 -6.788 1.00 0.00 C ATOM 0 H VAL A 60 5.042 -8.212 -4.337 1.00 0.00 H new ATOM 0 HA VAL A 60 7.283 -6.510 -4.896 1.00 0.00 H new ATOM 0 HB VAL A 60 4.311 -6.160 -5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.923 -4.430 -6.890 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.460 -4.004 -5.248 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.634 -4.614 -6.438 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.749 -6.795 -7.582 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.451 -7.114 -7.169 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.160 -8.103 -6.447 1.00 0.00 H new ATOM 924 N ILE A 61 5.391 -5.842 -2.347 1.00 0.00 N ATOM 925 CA ILE A 61 5.260 -4.999 -1.171 1.00 0.00 C ATOM 926 C ILE A 61 6.520 -5.127 -0.313 1.00 0.00 C ATOM 927 O ILE A 61 7.148 -4.126 0.028 1.00 0.00 O ATOM 928 CB ILE A 61 3.968 -5.324 -0.419 1.00 0.00 C ATOM 929 CG1 ILE A 61 2.741 -4.890 -1.223 1.00 0.00 C ATOM 930 CG2 ILE A 61 3.981 -4.713 0.983 1.00 0.00 C ATOM 931 CD1 ILE A 61 1.449 -5.311 -0.521 1.00 0.00 C ATOM 0 H ILE A 61 4.780 -6.659 -2.356 1.00 0.00 H new ATOM 0 HA ILE A 61 5.177 -3.952 -1.461 1.00 0.00 H new ATOM 0 HB ILE A 61 3.906 -6.405 -0.298 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.752 -3.808 -1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.779 -5.332 -2.219 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.051 -4.959 1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.823 -5.114 1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.078 -3.630 0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.592 -4.990 -1.113 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.430 -6.395 -0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.403 -4.848 0.464 1.00 0.00 H new ATOM 943 N PHE A 62 6.853 -6.368 0.011 1.00 0.00 N ATOM 944 CA PHE A 62 8.027 -6.641 0.823 1.00 0.00 C ATOM 945 C PHE A 62 9.274 -5.994 0.217 1.00 0.00 C ATOM 946 O PHE A 62 10.236 -5.706 0.928 1.00 0.00 O ATOM 947 CB PHE A 62 8.213 -8.159 0.844 1.00 0.00 C ATOM 948 CG PHE A 62 7.755 -8.824 2.144 1.00 0.00 C ATOM 949 CD1 PHE A 62 6.435 -8.839 2.472 1.00 0.00 C ATOM 950 CD2 PHE A 62 8.668 -9.400 2.971 1.00 0.00 C ATOM 951 CE1 PHE A 62 6.010 -9.456 3.678 1.00 0.00 C ATOM 952 CE2 PHE A 62 8.242 -10.017 4.178 1.00 0.00 C ATOM 953 CZ PHE A 62 6.922 -10.032 4.505 1.00 0.00 C ATOM 0 H PHE A 62 6.330 -7.196 -0.274 1.00 0.00 H new ATOM 0 HA PHE A 62 7.890 -6.235 1.825 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.661 -8.594 0.011 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.266 -8.388 0.682 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.710 -8.382 1.815 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.716 -9.388 2.711 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.962 -9.468 3.938 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.966 -10.474 4.836 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.598 -10.502 5.422 1.00 0.00 H new ATOM 963 N GLU A 63 9.218 -5.786 -1.090 1.00 0.00 N ATOM 964 CA GLU A 63 10.331 -5.179 -1.800 1.00 0.00 C ATOM 965 C GLU A 63 10.518 -3.728 -1.352 1.00 0.00 C ATOM 966 O GLU A 63 11.617 -3.329 -0.969 1.00 0.00 O ATOM 967 CB GLU A 63 10.128 -5.263 -3.314 1.00 0.00 C ATOM 968 CG GLU A 63 10.425 -6.673 -3.829 1.00 0.00 C ATOM 969 CD GLU A 63 11.153 -6.623 -5.174 1.00 0.00 C ATOM 970 OE1 GLU A 63 12.346 -6.251 -5.160 1.00 0.00 O ATOM 971 OE2 GLU A 63 10.499 -6.959 -6.185 1.00 0.00 O ATOM 0 H GLU A 63 8.419 -6.027 -1.676 1.00 0.00 H new ATOM 0 HA GLU A 63 11.237 -5.734 -1.557 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.103 -4.989 -3.563 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.779 -4.545 -3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.034 -7.209 -3.101 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.493 -7.229 -3.936 1.00 0.00 H new ATOM 978 N VAL A 64 9.428 -2.977 -1.414 1.00 0.00 N ATOM 979 CA VAL A 64 9.458 -1.579 -1.020 1.00 0.00 C ATOM 980 C VAL A 64 9.672 -1.485 0.492 1.00 0.00 C ATOM 981 O VAL A 64 10.471 -0.675 0.960 1.00 0.00 O ATOM 982 CB VAL A 64 8.183 -0.876 -1.489 1.00 0.00 C ATOM 983 CG1 VAL A 64 7.960 0.426 -0.716 1.00 0.00 C ATOM 984 CG2 VAL A 64 8.220 -0.619 -2.997 1.00 0.00 C ATOM 0 H VAL A 64 8.518 -3.311 -1.731 1.00 0.00 H new ATOM 0 HA VAL A 64 10.291 -1.064 -1.499 1.00 0.00 H new ATOM 0 HB VAL A 64 7.341 -1.537 -1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.047 0.907 -1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.867 0.206 0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.807 1.094 -0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.302 -0.118 -3.303 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.075 0.013 -3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.310 -1.568 -3.526 1.00 0.00 H new ATOM 994 N LYS A 65 8.944 -2.323 1.214 1.00 0.00 N ATOM 995 CA LYS A 65 9.044 -2.344 2.663 1.00 0.00 C ATOM 996 C LYS A 65 10.507 -2.534 3.067 1.00 0.00 C ATOM 997 O LYS A 65 10.963 -1.954 4.051 1.00 0.00 O ATOM 998 CB LYS A 65 8.103 -3.399 3.250 1.00 0.00 C ATOM 999 CG LYS A 65 8.283 -3.512 4.765 1.00 0.00 C ATOM 1000 CD LYS A 65 7.947 -4.923 5.253 1.00 0.00 C ATOM 1001 CE LYS A 65 8.760 -5.280 6.499 1.00 0.00 C ATOM 1002 NZ LYS A 65 9.370 -6.621 6.353 1.00 0.00 N ATOM 0 H LYS A 65 8.282 -2.993 0.822 1.00 0.00 H new ATOM 0 HA LYS A 65 8.719 -1.391 3.080 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.070 -3.137 3.021 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.298 -4.365 2.784 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.311 -3.266 5.032 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.641 -2.787 5.266 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.882 -4.990 5.477 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.152 -5.644 4.462 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.539 -4.535 6.658 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.116 -5.260 7.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.918 -6.848 7.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.621 -7.331 6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.000 -6.628 5.525 1.00 0.00 H new ATOM 1016 N ALA A 66 11.203 -3.347 2.285 1.00 0.00 N ATOM 1017 CA ALA A 66 12.605 -3.619 2.549 1.00 0.00 C ATOM 1018 C ALA A 66 13.387 -2.304 2.537 1.00 0.00 C ATOM 1019 O ALA A 66 14.096 -1.991 3.492 1.00 0.00 O ATOM 1020 CB ALA A 66 13.133 -4.621 1.519 1.00 0.00 C ATOM 0 H ALA A 66 10.822 -3.826 1.469 1.00 0.00 H new ATOM 0 HA ALA A 66 12.730 -4.067 3.535 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.185 -4.826 1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 66 12.564 -5.548 1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.026 -4.204 0.518 1.00 0.00 H new ATOM 1026 N ILE A 67 13.231 -1.570 1.445 1.00 0.00 N ATOM 1027 CA ILE A 67 13.914 -0.296 1.296 1.00 0.00 C ATOM 1028 C ILE A 67 13.365 0.695 2.325 1.00 0.00 C ATOM 1029 O ILE A 67 14.127 1.420 2.963 1.00 0.00 O ATOM 1030 CB ILE A 67 13.815 0.199 -0.148 1.00 0.00 C ATOM 1031 CG1 ILE A 67 14.490 -0.780 -1.111 1.00 0.00 C ATOM 1032 CG2 ILE A 67 14.380 1.615 -0.282 1.00 0.00 C ATOM 1033 CD1 ILE A 67 13.480 -1.351 -2.108 1.00 0.00 C ATOM 0 H ILE A 67 12.642 -1.833 0.655 1.00 0.00 H new ATOM 0 HA ILE A 67 14.979 -0.409 1.498 1.00 0.00 H new ATOM 0 HB ILE A 67 12.761 0.245 -0.422 1.00 0.00 H new ATOM 0 HG12 ILE A 67 15.291 -0.273 -1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 67 14.949 -1.592 -0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 67 14.298 1.943 -1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.817 2.293 0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 67 15.428 1.618 0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 67 13.985 -2.044 -2.781 1.00 0.00 H new ATOM 0 HD12 ILE A 67 12.694 -1.878 -1.568 1.00 0.00 H new ATOM 0 HD13 ILE A 67 13.041 -0.538 -2.687 1.00 0.00 H new ATOM 1045 N VAL A 68 12.046 0.695 2.454 1.00 0.00 N ATOM 1046 CA VAL A 68 11.386 1.585 3.394 1.00 0.00 C ATOM 1047 C VAL A 68 11.930 1.327 4.801 1.00 0.00 C ATOM 1048 O VAL A 68 12.362 2.255 5.483 1.00 0.00 O ATOM 1049 CB VAL A 68 9.869 1.414 3.300 1.00 0.00 C ATOM 1050 CG1 VAL A 68 9.174 1.984 4.538 1.00 0.00 C ATOM 1051 CG2 VAL A 68 9.324 2.055 2.021 1.00 0.00 C ATOM 0 H VAL A 68 11.417 0.093 1.923 1.00 0.00 H new ATOM 0 HA VAL A 68 11.598 2.625 3.148 1.00 0.00 H new ATOM 0 HB VAL A 68 9.654 0.346 3.258 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.096 1.849 4.445 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.529 1.463 5.427 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.400 3.047 4.625 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.243 1.920 1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.557 3.120 2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.784 1.583 1.153 1.00 0.00 H new ATOM 1061 N PHE A 69 11.890 0.063 5.194 1.00 0.00 N ATOM 1062 CA PHE A 69 12.373 -0.329 6.507 1.00 0.00 C ATOM 1063 C PHE A 69 13.872 -0.636 6.471 1.00 0.00 C ATOM 1064 O PHE A 69 14.325 -1.605 7.078 1.00 0.00 O ATOM 1065 CB PHE A 69 11.614 -1.596 6.904 1.00 0.00 C ATOM 1066 CG PHE A 69 10.142 -1.359 7.246 1.00 0.00 C ATOM 1067 CD1 PHE A 69 9.287 -0.902 6.292 1.00 0.00 C ATOM 1068 CD2 PHE A 69 9.688 -1.604 8.504 1.00 0.00 C ATOM 1069 CE1 PHE A 69 7.921 -0.682 6.609 1.00 0.00 C ATOM 1070 CE2 PHE A 69 8.322 -1.383 8.822 1.00 0.00 C ATOM 1071 CZ PHE A 69 7.467 -0.927 7.867 1.00 0.00 C ATOM 0 H PHE A 69 11.530 -0.704 4.626 1.00 0.00 H new ATOM 0 HA PHE A 69 12.212 0.481 7.219 1.00 0.00 H new ATOM 0 HB2 PHE A 69 11.675 -2.315 6.087 1.00 0.00 H new ATOM 0 HB3 PHE A 69 12.108 -2.048 7.764 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.648 -0.706 5.293 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.367 -1.967 9.262 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.242 -0.320 5.851 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.962 -1.577 9.822 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.428 -0.760 8.108 1.00 0.00 H new ATOM 1081 N GLN A 70 14.599 0.207 5.753 1.00 0.00 N ATOM 1082 CA GLN A 70 16.037 0.038 5.630 1.00 0.00 C ATOM 1083 C GLN A 70 16.757 0.775 6.760 1.00 0.00 C ATOM 1084 O GLN A 70 16.118 1.291 7.676 1.00 0.00 O ATOM 1085 CB GLN A 70 16.530 0.515 4.262 1.00 0.00 C ATOM 1086 CG GLN A 70 16.587 2.043 4.203 1.00 0.00 C ATOM 1087 CD GLN A 70 17.269 2.517 2.918 1.00 0.00 C ATOM 1088 OE1 GLN A 70 18.419 2.924 2.909 1.00 0.00 O ATOM 1089 NE2 GLN A 70 16.499 2.441 1.837 1.00 0.00 N ATOM 0 H GLN A 70 14.219 1.009 5.250 1.00 0.00 H new ATOM 0 HA GLN A 70 16.267 -1.024 5.712 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.519 0.103 4.064 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.867 0.142 3.482 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.577 2.450 4.255 1.00 0.00 H new ATOM 0 HG3 GLN A 70 17.129 2.424 5.069 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.544 2.090 1.915 1.00 0.00 H new ATOM 0 HE22 GLN A 70 16.863 2.733 0.930 1.00 0.00 H new ATOM 1098 N ASP A 71 18.078 0.802 6.659 1.00 0.00 N ATOM 1099 CA ASP A 71 18.892 1.468 7.662 1.00 0.00 C ATOM 1100 C ASP A 71 19.385 2.805 7.106 1.00 0.00 C ATOM 1101 O ASP A 71 19.401 3.010 5.893 1.00 0.00 O ATOM 1102 CB ASP A 71 20.117 0.626 8.024 1.00 0.00 C ATOM 1103 CG ASP A 71 21.050 1.254 9.061 1.00 0.00 C ATOM 1104 OD1 ASP A 71 20.604 1.383 10.222 1.00 0.00 O ATOM 1105 OD2 ASP A 71 22.188 1.592 8.670 1.00 0.00 O ATOM 0 H ASP A 71 18.605 0.373 5.898 1.00 0.00 H new ATOM 0 HA ASP A 71 18.279 1.614 8.551 1.00 0.00 H new ATOM 0 HB2 ASP A 71 19.777 -0.339 8.400 1.00 0.00 H new ATOM 0 HB3 ASP A 71 20.687 0.431 7.115 1.00 0.00 H new ATOM 1110 N GLY A 72 19.776 3.681 8.020 1.00 0.00 N ATOM 1111 CA GLY A 72 20.268 4.994 7.637 1.00 0.00 C ATOM 1112 C GLY A 72 19.117 5.992 7.496 1.00 0.00 C ATOM 1113 O GLY A 72 17.983 5.693 7.867 1.00 0.00 O ATOM 0 H GLY A 72 19.762 3.507 9.025 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.976 5.353 8.384 1.00 0.00 H new ATOM 0 HA3 GLY A 72 20.809 4.922 6.694 1.00 0.00 H new ATOM 1117 N PRO A 73 19.457 7.188 6.946 1.00 0.00 N ATOM 1118 CA PRO A 73 18.466 8.232 6.751 1.00 0.00 C ATOM 1119 C PRO A 73 17.553 7.907 5.567 1.00 0.00 C ATOM 1120 O PRO A 73 16.605 8.641 5.290 1.00 0.00 O ATOM 1121 CB PRO A 73 19.270 9.506 6.550 1.00 0.00 C ATOM 1122 CG PRO A 73 20.673 9.058 6.176 1.00 0.00 C ATOM 1123 CD PRO A 73 20.791 7.577 6.495 1.00 0.00 C ATOM 0 HA PRO A 73 17.790 8.334 7.600 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.834 10.123 5.764 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.281 10.108 7.458 1.00 0.00 H new ATOM 0 HG2 PRO A 73 20.861 9.236 5.117 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.417 9.629 6.732 1.00 0.00 H new ATOM 0 HD2 PRO A 73 21.095 7.006 5.618 1.00 0.00 H new ATOM 0 HD3 PRO A 73 21.539 7.397 7.267 1.00 0.00 H new ATOM 1131 N GLY A 74 17.870 6.807 4.901 1.00 0.00 N ATOM 1132 CA GLY A 74 17.090 6.376 3.753 1.00 0.00 C ATOM 1133 C GLY A 74 15.743 5.798 4.191 1.00 0.00 C ATOM 1134 O GLY A 74 14.746 5.931 3.483 1.00 0.00 O ATOM 0 H GLY A 74 18.656 6.201 5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 74 16.927 7.220 3.082 1.00 0.00 H new ATOM 0 HA3 GLY A 74 17.647 5.625 3.192 1.00 0.00 H new ATOM 1138 N SER A 75 15.756 5.167 5.357 1.00 0.00 N ATOM 1139 CA SER A 75 14.548 4.568 5.898 1.00 0.00 C ATOM 1140 C SER A 75 13.367 5.525 5.724 1.00 0.00 C ATOM 1141 O SER A 75 13.540 6.742 5.747 1.00 0.00 O ATOM 1142 CB SER A 75 14.726 4.207 7.374 1.00 0.00 C ATOM 1143 OG SER A 75 15.235 5.300 8.133 1.00 0.00 O ATOM 0 H SER A 75 16.585 5.058 5.942 1.00 0.00 H new ATOM 0 HA SER A 75 14.346 3.648 5.349 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.768 3.893 7.788 1.00 0.00 H new ATOM 0 HB3 SER A 75 15.405 3.358 7.460 1.00 0.00 H new ATOM 0 HG SER A 75 16.206 5.355 8.016 1.00 0.00 H new ATOM 1149 N HIS A 76 12.191 4.938 5.553 1.00 0.00 N ATOM 1150 CA HIS A 76 10.981 5.723 5.376 1.00 0.00 C ATOM 1151 C HIS A 76 10.022 5.458 6.538 1.00 0.00 C ATOM 1152 O HIS A 76 9.209 4.537 6.479 1.00 0.00 O ATOM 1153 CB HIS A 76 10.349 5.445 4.011 1.00 0.00 C ATOM 1154 CG HIS A 76 11.285 5.661 2.845 1.00 0.00 C ATOM 1155 ND1 HIS A 76 12.022 6.821 2.680 1.00 0.00 N ATOM 1156 CD2 HIS A 76 11.597 4.853 1.792 1.00 0.00 C ATOM 1157 CE1 HIS A 76 12.740 6.705 1.573 1.00 0.00 C ATOM 1158 NE2 HIS A 76 12.475 5.485 1.023 1.00 0.00 N ATOM 0 H HIS A 76 12.051 3.928 5.533 1.00 0.00 H new ATOM 0 HA HIS A 76 11.227 6.785 5.389 1.00 0.00 H new ATOM 0 HB2 HIS A 76 9.991 4.416 3.991 1.00 0.00 H new ATOM 0 HB3 HIS A 76 9.477 6.088 3.888 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.197 3.866 1.614 1.00 0.00 H new ATOM 0 HE1 HIS A 76 13.417 7.447 1.175 1.00 0.00 H new ATOM 0 HE2 HIS A 76 12.884 5.119 0.163 1.00 0.00 H new ATOM 1166 N PRO A 77 10.153 6.303 7.596 1.00 0.00 N ATOM 1167 CA PRO A 77 9.308 6.169 8.770 1.00 0.00 C ATOM 1168 C PRO A 77 7.894 6.683 8.490 1.00 0.00 C ATOM 1169 O PRO A 77 6.948 6.319 9.186 1.00 0.00 O ATOM 1170 CB PRO A 77 10.021 6.954 9.859 1.00 0.00 C ATOM 1171 CG PRO A 77 10.990 7.879 9.140 1.00 0.00 C ATOM 1172 CD PRO A 77 11.106 7.404 7.701 1.00 0.00 C ATOM 0 HA PRO A 77 9.169 5.131 9.072 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.311 7.523 10.459 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.550 6.286 10.539 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.632 8.908 9.175 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.965 7.864 9.627 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.866 8.203 7.000 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.119 7.074 7.474 1.00 0.00 H new ATOM 1180 N ASP A 78 7.796 7.521 7.468 1.00 0.00 N ATOM 1181 CA ASP A 78 6.514 8.089 7.087 1.00 0.00 C ATOM 1182 C ASP A 78 5.775 7.105 6.179 1.00 0.00 C ATOM 1183 O ASP A 78 4.553 6.981 6.255 1.00 0.00 O ATOM 1184 CB ASP A 78 6.698 9.397 6.316 1.00 0.00 C ATOM 1185 CG ASP A 78 5.761 10.532 6.733 1.00 0.00 C ATOM 1186 OD1 ASP A 78 5.948 11.037 7.861 1.00 0.00 O ATOM 1187 OD2 ASP A 78 4.878 10.869 5.915 1.00 0.00 O ATOM 0 H ASP A 78 8.583 7.820 6.892 1.00 0.00 H new ATOM 0 HA ASP A 78 5.948 8.284 7.998 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.728 9.732 6.440 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.553 9.198 5.254 1.00 0.00 H new ATOM 1192 N GLN A 79 6.546 6.429 5.340 1.00 0.00 N ATOM 1193 CA GLN A 79 5.980 5.459 4.418 1.00 0.00 C ATOM 1194 C GLN A 79 5.896 4.083 5.081 1.00 0.00 C ATOM 1195 O GLN A 79 5.170 3.208 4.613 1.00 0.00 O ATOM 1196 CB GLN A 79 6.791 5.396 3.122 1.00 0.00 C ATOM 1197 CG GLN A 79 6.763 6.740 2.392 1.00 0.00 C ATOM 1198 CD GLN A 79 8.020 7.557 2.698 1.00 0.00 C ATOM 1199 OE1 GLN A 79 8.037 8.416 3.564 1.00 0.00 O ATOM 1200 NE2 GLN A 79 9.067 7.242 1.941 1.00 0.00 N ATOM 0 H GLN A 79 7.559 6.534 5.279 1.00 0.00 H new ATOM 0 HA GLN A 79 4.970 5.778 4.160 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.822 5.122 3.347 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.388 4.618 2.474 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.686 6.573 1.318 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.878 7.302 2.691 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.984 6.512 1.234 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.953 7.731 2.068 1.00 0.00 H new ATOM 1209 N GLN A 80 6.651 3.934 6.159 1.00 0.00 N ATOM 1210 CA GLN A 80 6.672 2.679 6.891 1.00 0.00 C ATOM 1211 C GLN A 80 5.244 2.207 7.176 1.00 0.00 C ATOM 1212 O GLN A 80 4.909 1.049 6.930 1.00 0.00 O ATOM 1213 CB GLN A 80 7.474 2.813 8.187 1.00 0.00 C ATOM 1214 CG GLN A 80 8.879 2.229 8.025 1.00 0.00 C ATOM 1215 CD GLN A 80 9.849 2.847 9.034 1.00 0.00 C ATOM 1216 OE1 GLN A 80 9.497 3.163 10.158 1.00 0.00 O ATOM 1217 NE2 GLN A 80 11.086 3.001 8.571 1.00 0.00 N ATOM 0 H GLN A 80 7.253 4.662 6.544 1.00 0.00 H new ATOM 0 HA GLN A 80 7.166 1.929 6.273 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.543 3.864 8.469 1.00 0.00 H new ATOM 0 HB3 GLN A 80 6.954 2.299 8.996 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.846 1.148 8.162 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.238 2.411 7.012 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.313 2.715 7.619 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.807 3.405 9.168 1.00 0.00 H new ATOM 1226 N PRO A 81 4.421 3.152 7.703 1.00 0.00 N ATOM 1227 CA PRO A 81 3.038 2.845 8.024 1.00 0.00 C ATOM 1228 C PRO A 81 2.186 2.762 6.756 1.00 0.00 C ATOM 1229 O PRO A 81 1.174 2.064 6.728 1.00 0.00 O ATOM 1230 CB PRO A 81 2.596 3.955 8.964 1.00 0.00 C ATOM 1231 CG PRO A 81 3.591 5.087 8.769 1.00 0.00 C ATOM 1232 CD PRO A 81 4.784 4.533 8.007 1.00 0.00 C ATOM 0 HA PRO A 81 2.923 1.870 8.498 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.582 4.282 8.733 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.592 3.612 9.999 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.133 5.907 8.216 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.906 5.488 9.732 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.972 5.103 7.097 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.693 4.581 8.606 1.00 0.00 H new ATOM 1240 N TYR A 82 2.628 3.484 5.736 1.00 0.00 N ATOM 1241 CA TYR A 82 1.919 3.500 4.468 1.00 0.00 C ATOM 1242 C TYR A 82 2.047 2.155 3.751 1.00 0.00 C ATOM 1243 O TYR A 82 1.049 1.580 3.319 1.00 0.00 O ATOM 1244 CB TYR A 82 2.593 4.582 3.622 1.00 0.00 C ATOM 1245 CG TYR A 82 2.178 6.008 3.989 1.00 0.00 C ATOM 1246 CD1 TYR A 82 2.257 6.435 5.299 1.00 0.00 C ATOM 1247 CD2 TYR A 82 1.723 6.868 3.010 1.00 0.00 C ATOM 1248 CE1 TYR A 82 1.866 7.777 5.644 1.00 0.00 C ATOM 1249 CE2 TYR A 82 1.332 8.210 3.355 1.00 0.00 C ATOM 1250 CZ TYR A 82 1.422 8.598 4.655 1.00 0.00 C ATOM 1251 OH TYR A 82 1.053 9.866 4.981 1.00 0.00 O ATOM 0 H TYR A 82 3.468 4.062 5.762 1.00 0.00 H new ATOM 0 HA TYR A 82 0.857 3.692 4.624 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.674 4.491 3.728 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.360 4.406 2.572 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.612 5.762 6.066 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.660 6.534 1.985 1.00 0.00 H new ATOM 0 HE1 TYR A 82 1.924 8.124 6.665 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.975 8.893 2.598 1.00 0.00 H new ATOM 0 HH TYR A 82 1.829 10.460 4.913 1.00 0.00 H new ATOM 1261 N ILE A 83 3.284 1.692 3.646 1.00 0.00 N ATOM 1262 CA ILE A 83 3.556 0.425 2.989 1.00 0.00 C ATOM 1263 C ILE A 83 3.001 -0.717 3.842 1.00 0.00 C ATOM 1264 O ILE A 83 2.546 -1.730 3.311 1.00 0.00 O ATOM 1265 CB ILE A 83 5.048 0.291 2.678 1.00 0.00 C ATOM 1266 CG1 ILE A 83 5.310 -0.891 1.743 1.00 0.00 C ATOM 1267 CG2 ILE A 83 5.870 0.198 3.965 1.00 0.00 C ATOM 1268 CD1 ILE A 83 4.662 -0.664 0.376 1.00 0.00 C ATOM 0 H ILE A 83 4.109 2.172 4.005 1.00 0.00 H new ATOM 0 HA ILE A 83 3.048 0.380 2.026 1.00 0.00 H new ATOM 0 HB ILE A 83 5.370 1.191 2.155 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.384 -1.032 1.621 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.917 -1.805 2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.927 0.103 3.716 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.717 1.098 4.560 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.553 -0.674 4.537 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.864 -1.519 -0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.585 -0.548 0.499 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.075 0.237 -0.077 1.00 0.00 H new ATOM 1280 N THR A 84 3.056 -0.516 5.151 1.00 0.00 N ATOM 1281 CA THR A 84 2.565 -1.517 6.083 1.00 0.00 C ATOM 1282 C THR A 84 1.101 -1.848 5.787 1.00 0.00 C ATOM 1283 O THR A 84 0.724 -3.017 5.732 1.00 0.00 O ATOM 1284 CB THR A 84 2.794 -0.993 7.502 1.00 0.00 C ATOM 1285 OG1 THR A 84 4.106 -1.443 7.830 1.00 0.00 O ATOM 1286 CG2 THR A 84 1.896 -1.681 8.532 1.00 0.00 C ATOM 0 H THR A 84 3.433 0.325 5.588 1.00 0.00 H new ATOM 0 HA THR A 84 3.106 -2.457 5.976 1.00 0.00 H new ATOM 0 HB THR A 84 2.616 0.082 7.525 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.766 -0.802 7.492 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.099 -1.272 9.522 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.851 -1.509 8.276 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.098 -2.752 8.533 1.00 0.00 H new ATOM 1294 N VAL A 85 0.315 -0.797 5.604 1.00 0.00 N ATOM 1295 CA VAL A 85 -1.100 -0.961 5.315 1.00 0.00 C ATOM 1296 C VAL A 85 -1.264 -1.864 4.091 1.00 0.00 C ATOM 1297 O VAL A 85 -2.084 -2.781 4.097 1.00 0.00 O ATOM 1298 CB VAL A 85 -1.761 0.407 5.142 1.00 0.00 C ATOM 1299 CG1 VAL A 85 -3.104 0.280 4.419 1.00 0.00 C ATOM 1300 CG2 VAL A 85 -1.928 1.110 6.490 1.00 0.00 C ATOM 0 H VAL A 85 0.631 0.172 5.650 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.606 -1.448 6.148 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.105 1.020 4.524 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.553 1.267 4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.947 -0.159 3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.770 -0.359 4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.400 2.081 6.338 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.553 0.501 7.143 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.950 1.251 6.951 1.00 0.00 H new ATOM 1310 N TRP A 86 -0.471 -1.574 3.070 1.00 0.00 N ATOM 1311 CA TRP A 86 -0.518 -2.348 1.841 1.00 0.00 C ATOM 1312 C TRP A 86 -0.379 -3.826 2.209 1.00 0.00 C ATOM 1313 O TRP A 86 -1.171 -4.657 1.765 1.00 0.00 O ATOM 1314 CB TRP A 86 0.550 -1.874 0.854 1.00 0.00 C ATOM 1315 CG TRP A 86 0.166 -0.610 0.081 1.00 0.00 C ATOM 1316 CD1 TRP A 86 0.460 0.662 0.383 1.00 0.00 C ATOM 1317 CD2 TRP A 86 -0.598 -0.548 -1.141 1.00 0.00 C ATOM 1318 NE1 TRP A 86 -0.057 1.536 -0.551 1.00 0.00 N ATOM 1319 CE2 TRP A 86 -0.721 0.777 -1.508 1.00 0.00 C ATOM 1320 CE3 TRP A 86 -1.167 -1.577 -1.912 1.00 0.00 C ATOM 1321 CZ2 TRP A 86 -1.408 1.194 -2.654 1.00 0.00 C ATOM 1322 CZ3 TRP A 86 -1.850 -1.143 -3.054 1.00 0.00 C ATOM 1323 CH2 TRP A 86 -1.983 0.186 -3.437 1.00 0.00 C ATOM 0 H TRP A 86 0.208 -0.813 3.069 1.00 0.00 H new ATOM 0 HA TRP A 86 -1.470 -2.204 1.330 1.00 0.00 H new ATOM 0 HB2 TRP A 86 1.476 -1.688 1.398 1.00 0.00 H new ATOM 0 HB3 TRP A 86 0.754 -2.675 0.143 1.00 0.00 H new ATOM 0 HD1 TRP A 86 1.030 0.965 1.249 1.00 0.00 H new ATOM 0 HE1 TRP A 86 0.032 2.552 -0.541 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -1.084 -2.620 -1.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -1.490 2.238 -2.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -2.306 -1.894 -3.682 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -2.527 0.440 -4.334 1.00 0.00 H new ATOM 1334 N GLN A 87 0.633 -4.110 3.015 1.00 0.00 N ATOM 1335 CA GLN A 87 0.886 -5.474 3.447 1.00 0.00 C ATOM 1336 C GLN A 87 -0.365 -6.064 4.102 1.00 0.00 C ATOM 1337 O GLN A 87 -0.814 -7.146 3.727 1.00 0.00 O ATOM 1338 CB GLN A 87 2.083 -5.535 4.398 1.00 0.00 C ATOM 1339 CG GLN A 87 2.610 -6.966 4.525 1.00 0.00 C ATOM 1340 CD GLN A 87 3.483 -7.120 5.772 1.00 0.00 C ATOM 1341 OE1 GLN A 87 4.574 -6.582 5.868 1.00 0.00 O ATOM 1342 NE2 GLN A 87 2.944 -7.883 6.719 1.00 0.00 N ATOM 0 H GLN A 87 1.288 -3.419 3.380 1.00 0.00 H new ATOM 0 HA GLN A 87 1.130 -6.073 2.570 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.876 -4.883 4.032 1.00 0.00 H new ATOM 0 HB3 GLN A 87 1.791 -5.163 5.380 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.773 -7.663 4.574 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.188 -7.225 3.638 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.026 -8.304 6.574 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.449 -8.047 7.590 1.00 0.00 H new ATOM 1351 N ASP A 88 -0.891 -5.327 5.069 1.00 0.00 N ATOM 1352 CA ASP A 88 -2.081 -5.764 5.779 1.00 0.00 C ATOM 1353 C ASP A 88 -3.210 -6.004 4.775 1.00 0.00 C ATOM 1354 O ASP A 88 -3.944 -6.986 4.883 1.00 0.00 O ATOM 1355 CB ASP A 88 -2.551 -4.700 6.772 1.00 0.00 C ATOM 1356 CG ASP A 88 -3.288 -5.241 7.999 1.00 0.00 C ATOM 1357 OD1 ASP A 88 -3.738 -6.404 7.924 1.00 0.00 O ATOM 1358 OD2 ASP A 88 -3.385 -4.478 8.985 1.00 0.00 O ATOM 0 H ASP A 88 -0.515 -4.430 5.377 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.835 -6.678 6.319 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.684 -4.131 7.109 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.207 -4.003 6.251 1.00 0.00 H new ATOM 1363 N LEU A 89 -3.314 -5.092 3.819 1.00 0.00 N ATOM 1364 CA LEU A 89 -4.341 -5.193 2.797 1.00 0.00 C ATOM 1365 C LEU A 89 -4.240 -6.557 2.111 1.00 0.00 C ATOM 1366 O LEU A 89 -5.220 -7.297 2.047 1.00 0.00 O ATOM 1367 CB LEU A 89 -4.251 -4.011 1.829 1.00 0.00 C ATOM 1368 CG LEU A 89 -4.980 -2.736 2.259 1.00 0.00 C ATOM 1369 CD1 LEU A 89 -4.319 -1.496 1.654 1.00 0.00 C ATOM 1370 CD2 LEU A 89 -6.470 -2.815 1.920 1.00 0.00 C ATOM 0 H LEU A 89 -2.703 -4.280 3.731 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.332 -5.134 3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.199 -3.771 1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.649 -4.326 0.864 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.901 -2.646 3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.856 -0.604 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.283 -1.436 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.346 -1.564 0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.964 -1.896 2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.592 -2.941 0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.916 -3.664 2.438 1.00 0.00 H new ATOM 1382 N VAL A 90 -3.045 -6.848 1.617 1.00 0.00 N ATOM 1383 CA VAL A 90 -2.804 -8.110 0.939 1.00 0.00 C ATOM 1384 C VAL A 90 -3.312 -9.259 1.812 1.00 0.00 C ATOM 1385 O VAL A 90 -4.131 -10.064 1.371 1.00 0.00 O ATOM 1386 CB VAL A 90 -1.320 -8.239 0.585 1.00 0.00 C ATOM 1387 CG1 VAL A 90 -1.028 -9.591 -0.067 1.00 0.00 C ATOM 1388 CG2 VAL A 90 -0.869 -7.087 -0.314 1.00 0.00 C ATOM 0 H VAL A 90 -2.234 -6.232 1.673 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.354 -8.149 -0.001 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.748 -8.184 1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.033 -9.657 -0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.294 -10.392 0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.615 -9.689 -0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.189 -7.203 -0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.450 -7.096 -1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.024 -6.140 0.203 1.00 0.00 H new ATOM 1398 N GLN A 91 -2.804 -9.299 3.035 1.00 0.00 N ATOM 1399 CA GLN A 91 -3.197 -10.336 3.974 1.00 0.00 C ATOM 1400 C GLN A 91 -4.720 -10.479 4.002 1.00 0.00 C ATOM 1401 O GLN A 91 -5.258 -11.508 3.596 1.00 0.00 O ATOM 1402 CB GLN A 91 -2.648 -10.046 5.373 1.00 0.00 C ATOM 1403 CG GLN A 91 -1.197 -10.516 5.501 1.00 0.00 C ATOM 1404 CD GLN A 91 -0.866 -10.884 6.949 1.00 0.00 C ATOM 1405 OE1 GLN A 91 -1.554 -11.659 7.592 1.00 0.00 O ATOM 1406 NE2 GLN A 91 0.223 -10.286 7.423 1.00 0.00 N ATOM 0 H GLN A 91 -2.124 -8.630 3.397 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.769 -11.281 3.640 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.707 -8.977 5.576 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.264 -10.547 6.120 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -1.032 -11.379 4.856 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -0.525 -9.729 5.159 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.753 -9.648 6.830 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.528 -10.466 8.380 1.00 0.00 H new ATOM 1415 N ASN A 92 -5.372 -9.431 4.485 1.00 0.00 N ATOM 1416 CA ASN A 92 -6.822 -9.427 4.571 1.00 0.00 C ATOM 1417 C ASN A 92 -7.403 -8.829 3.288 1.00 0.00 C ATOM 1418 O ASN A 92 -7.921 -7.714 3.297 1.00 0.00 O ATOM 1419 CB ASN A 92 -7.301 -8.575 5.748 1.00 0.00 C ATOM 1420 CG ASN A 92 -7.387 -9.408 7.029 1.00 0.00 C ATOM 1421 OD1 ASN A 92 -8.365 -10.088 7.293 1.00 0.00 O ATOM 1422 ND2 ASN A 92 -6.312 -9.317 7.806 1.00 0.00 N ATOM 0 H ASN A 92 -4.922 -8.579 4.821 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.154 -10.456 4.711 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.617 -7.739 5.899 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -8.279 -8.150 5.520 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.272 -9.835 8.683 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.528 -8.729 7.525 1.00 0.00 H new ATOM 1429 N SER A 93 -7.297 -9.598 2.214 1.00 0.00 N ATOM 1430 CA SER A 93 -7.805 -9.159 0.926 1.00 0.00 C ATOM 1431 C SER A 93 -9.297 -8.838 1.034 1.00 0.00 C ATOM 1432 O SER A 93 -10.119 -9.740 1.190 1.00 0.00 O ATOM 1433 CB SER A 93 -7.566 -10.219 -0.151 1.00 0.00 C ATOM 1434 OG SER A 93 -8.555 -11.245 -0.119 1.00 0.00 O ATOM 0 H SER A 93 -6.867 -10.523 2.210 1.00 0.00 H new ATOM 0 HA SER A 93 -7.266 -8.257 0.635 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.567 -9.745 -1.133 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.580 -10.662 -0.012 1.00 0.00 H new ATOM 0 HG SER A 93 -9.206 -11.050 0.587 1.00 0.00 H new ATOM 1440 N PRO A 94 -9.609 -7.518 0.943 1.00 0.00 N ATOM 1441 CA PRO A 94 -10.988 -7.067 1.029 1.00 0.00 C ATOM 1442 C PRO A 94 -11.745 -7.370 -0.265 1.00 0.00 C ATOM 1443 O PRO A 94 -11.135 -7.684 -1.287 1.00 0.00 O ATOM 1444 CB PRO A 94 -10.898 -5.580 1.330 1.00 0.00 C ATOM 1445 CG PRO A 94 -9.488 -5.161 0.943 1.00 0.00 C ATOM 1446 CD PRO A 94 -8.661 -6.423 0.758 1.00 0.00 C ATOM 0 HA PRO A 94 -11.552 -7.583 1.806 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.641 -5.021 0.762 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -11.088 -5.383 2.385 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.502 -4.576 0.023 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -9.052 -4.529 1.716 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -8.206 -6.456 -0.232 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.850 -6.475 1.484 1.00 0.00 H new ATOM 1454 N PRO A 95 -13.098 -7.262 -0.179 1.00 0.00 N ATOM 1455 CA PRO A 95 -13.945 -7.521 -1.330 1.00 0.00 C ATOM 1456 C PRO A 95 -13.882 -6.363 -2.328 1.00 0.00 C ATOM 1457 O PRO A 95 -14.161 -6.543 -3.513 1.00 0.00 O ATOM 1458 CB PRO A 95 -15.336 -7.735 -0.756 1.00 0.00 C ATOM 1459 CG PRO A 95 -15.308 -7.133 0.640 1.00 0.00 C ATOM 1460 CD PRO A 95 -13.854 -6.893 1.014 1.00 0.00 C ATOM 0 HA PRO A 95 -13.625 -8.394 -1.899 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -16.092 -7.252 -1.375 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.584 -8.796 -0.719 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.868 -6.198 0.664 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.780 -7.806 1.356 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.682 -5.851 1.285 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.561 -7.499 1.872 1.00 0.00 H new ATOM 1468 N TRP A 96 -13.515 -5.199 -1.813 1.00 0.00 N ATOM 1469 CA TRP A 96 -13.412 -4.011 -2.644 1.00 0.00 C ATOM 1470 C TRP A 96 -12.078 -4.071 -3.390 1.00 0.00 C ATOM 1471 O TRP A 96 -11.830 -3.270 -4.290 1.00 0.00 O ATOM 1472 CB TRP A 96 -13.573 -2.741 -1.807 1.00 0.00 C ATOM 1473 CG TRP A 96 -12.511 -2.575 -0.717 1.00 0.00 C ATOM 1474 CD1 TRP A 96 -12.592 -2.925 0.574 1.00 0.00 C ATOM 1475 CD2 TRP A 96 -11.198 -1.999 -0.877 1.00 0.00 C ATOM 1476 NE1 TRP A 96 -11.432 -2.618 1.255 1.00 0.00 N ATOM 1477 CE2 TRP A 96 -10.557 -2.037 0.344 1.00 0.00 C ATOM 1478 CE3 TRP A 96 -10.572 -1.463 -2.017 1.00 0.00 C ATOM 1479 CZ2 TRP A 96 -9.258 -1.555 0.544 1.00 0.00 C ATOM 1480 CZ3 TRP A 96 -9.274 -0.986 -1.801 1.00 0.00 C ATOM 1481 CH2 TRP A 96 -8.615 -1.017 -0.577 1.00 0.00 C ATOM 0 H TRP A 96 -13.285 -5.053 -0.830 1.00 0.00 H new ATOM 0 HA TRP A 96 -14.219 -3.981 -3.376 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -13.538 -1.875 -2.469 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -14.559 -2.747 -1.342 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -13.457 -3.389 1.025 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -11.250 -2.786 2.244 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -11.055 -1.423 -2.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -8.778 -1.596 1.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.747 -0.564 -2.644 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -7.611 -0.628 -0.492 1.00 0.00 H new ATOM 1492 N ILE A 97 -11.253 -5.027 -2.988 1.00 0.00 N ATOM 1493 CA ILE A 97 -9.951 -5.201 -3.608 1.00 0.00 C ATOM 1494 C ILE A 97 -9.987 -6.424 -4.527 1.00 0.00 C ATOM 1495 O ILE A 97 -9.769 -6.307 -5.731 1.00 0.00 O ATOM 1496 CB ILE A 97 -8.855 -5.265 -2.542 1.00 0.00 C ATOM 1497 CG1 ILE A 97 -8.508 -3.866 -2.028 1.00 0.00 C ATOM 1498 CG2 ILE A 97 -7.622 -6.005 -3.067 1.00 0.00 C ATOM 1499 CD1 ILE A 97 -7.419 -3.930 -0.956 1.00 0.00 C ATOM 0 H ILE A 97 -11.461 -5.689 -2.240 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.708 -4.341 -4.232 1.00 0.00 H new ATOM 0 HB ILE A 97 -9.236 -5.834 -1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.171 -3.243 -2.857 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.400 -3.394 -1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.858 -6.036 -2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -7.899 -7.022 -3.345 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.230 -5.484 -3.941 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.191 -2.922 -0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.768 -4.533 -0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.520 -4.380 -1.377 1.00 0.00 H new ATOM 1511 N LYS A 98 -10.264 -7.570 -3.922 1.00 0.00 N ATOM 1512 CA LYS A 98 -10.332 -8.814 -4.671 1.00 0.00 C ATOM 1513 C LYS A 98 -11.758 -9.017 -5.186 1.00 0.00 C ATOM 1514 O LYS A 98 -12.704 -9.066 -4.401 1.00 0.00 O ATOM 1515 CB LYS A 98 -9.811 -9.978 -3.825 1.00 0.00 C ATOM 1516 CG LYS A 98 -10.779 -10.302 -2.685 1.00 0.00 C ATOM 1517 CD LYS A 98 -11.541 -11.599 -2.964 1.00 0.00 C ATOM 1518 CE LYS A 98 -13.000 -11.484 -2.520 1.00 0.00 C ATOM 1519 NZ LYS A 98 -13.441 -12.734 -1.860 1.00 0.00 N ATOM 0 H LYS A 98 -10.444 -7.663 -2.922 1.00 0.00 H new ATOM 0 HA LYS A 98 -9.681 -8.769 -5.544 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.676 -10.858 -4.454 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.833 -9.726 -3.416 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.227 -10.395 -1.750 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.485 -9.481 -2.559 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -11.498 -11.828 -4.029 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -11.062 -12.426 -2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -13.112 -10.644 -1.834 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -13.634 -11.278 -3.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -14.434 -12.639 -1.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -13.352 -13.528 -2.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.847 -12.914 -1.025 1.00 0.00 H new ATOM 1533 N SER A 99 -11.868 -9.131 -6.501 1.00 0.00 N ATOM 1534 CA SER A 99 -13.163 -9.328 -7.130 1.00 0.00 C ATOM 1535 C SER A 99 -13.210 -10.697 -7.812 1.00 0.00 C ATOM 1536 O SER A 99 -12.307 -11.048 -8.570 1.00 0.00 O ATOM 1537 CB SER A 99 -13.458 -8.220 -8.142 1.00 0.00 C ATOM 1538 OG SER A 99 -12.389 -8.044 -9.068 1.00 0.00 O ATOM 0 H SER A 99 -11.081 -9.091 -7.149 1.00 0.00 H new ATOM 0 HA SER A 99 -13.929 -9.288 -6.356 1.00 0.00 H new ATOM 0 HB2 SER A 99 -14.372 -8.459 -8.685 1.00 0.00 H new ATOM 0 HB3 SER A 99 -13.637 -7.284 -7.613 1.00 0.00 H new ATOM 0 HG SER A 99 -11.920 -8.895 -9.191 1.00 0.00 H new ATOM 1544 N GLY A 100 -14.273 -11.432 -7.519 1.00 0.00 N ATOM 1545 CA GLY A 100 -14.450 -12.754 -8.095 1.00 0.00 C ATOM 1546 C GLY A 100 -14.750 -12.664 -9.593 1.00 0.00 C ATOM 1547 O GLY A 100 -15.724 -12.032 -9.998 1.00 0.00 O ATOM 0 H GLY A 100 -15.020 -11.137 -6.890 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -13.550 -13.347 -7.936 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -15.265 -13.269 -7.588 1.00 0.00 H new ATOM 1551 N PRO A 101 -13.871 -13.323 -10.395 1.00 0.00 N ATOM 1552 CA PRO A 101 -14.032 -13.324 -11.839 1.00 0.00 C ATOM 1553 C PRO A 101 -15.170 -14.254 -12.264 1.00 0.00 C ATOM 1554 O PRO A 101 -14.950 -15.217 -12.996 1.00 0.00 O ATOM 1555 CB PRO A 101 -12.680 -13.753 -12.385 1.00 0.00 C ATOM 1556 CG PRO A 101 -11.956 -14.422 -11.228 1.00 0.00 C ATOM 1557 CD PRO A 101 -12.706 -14.082 -9.950 1.00 0.00 C ATOM 0 HA PRO A 101 -14.314 -12.347 -12.231 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.797 -14.441 -13.222 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -12.118 -12.895 -12.754 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -11.920 -15.502 -11.374 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.925 -14.073 -11.170 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -13.002 -14.983 -9.413 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.087 -13.495 -9.271 1.00 0.00 H new ATOM 1565 N SER A 102 -16.363 -13.932 -11.786 1.00 0.00 N ATOM 1566 CA SER A 102 -17.537 -14.726 -12.107 1.00 0.00 C ATOM 1567 C SER A 102 -18.374 -14.016 -13.173 1.00 0.00 C ATOM 1568 O SER A 102 -18.365 -14.411 -14.338 1.00 0.00 O ATOM 1569 CB SER A 102 -18.382 -14.990 -10.859 1.00 0.00 C ATOM 1570 OG SER A 102 -18.458 -16.379 -10.550 1.00 0.00 O ATOM 0 H SER A 102 -16.542 -13.132 -11.179 1.00 0.00 H new ATOM 0 HA SER A 102 -17.203 -15.687 -12.497 1.00 0.00 H new ATOM 0 HB2 SER A 102 -17.955 -14.453 -10.012 1.00 0.00 H new ATOM 0 HB3 SER A 102 -19.387 -14.597 -11.012 1.00 0.00 H new ATOM 0 HG SER A 102 -19.004 -16.506 -9.746 1.00 0.00 H new ATOM 1576 N SER A 103 -19.077 -12.982 -12.737 1.00 0.00 N ATOM 1577 CA SER A 103 -19.917 -12.214 -13.639 1.00 0.00 C ATOM 1578 C SER A 103 -20.060 -10.779 -13.128 1.00 0.00 C ATOM 1579 O SER A 103 -19.889 -10.521 -11.937 1.00 0.00 O ATOM 1580 CB SER A 103 -21.294 -12.861 -13.795 1.00 0.00 C ATOM 1581 OG SER A 103 -21.294 -13.884 -14.787 1.00 0.00 O ATOM 0 H SER A 103 -19.082 -12.658 -11.770 1.00 0.00 H new ATOM 0 HA SER A 103 -19.440 -12.198 -14.619 1.00 0.00 H new ATOM 0 HB2 SER A 103 -21.607 -13.282 -12.840 1.00 0.00 H new ATOM 0 HB3 SER A 103 -22.025 -12.098 -14.061 1.00 0.00 H new ATOM 0 HG SER A 103 -20.388 -14.243 -14.887 1.00 0.00 H new ATOM 1587 N GLY A 104 -20.372 -9.883 -14.053 1.00 0.00 N ATOM 1588 CA GLY A 104 -20.539 -8.481 -13.710 1.00 0.00 C ATOM 1589 C GLY A 104 -19.186 -7.812 -13.458 1.00 0.00 C ATOM 1590 O GLY A 104 -18.162 -8.265 -13.967 1.00 0.00 O ATOM 0 H GLY A 104 -20.513 -10.101 -15.039 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -21.059 -7.965 -14.517 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -21.163 -8.393 -12.821 1.00 0.00 H new TER 1594 GLY A 104