USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 539 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 49:sc= 1.13 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0976 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -102:sc= 0.0875 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.606 K(o=-0.61,f=-1.8) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -1.21 X(o=-1.2,f=-0.82) USER MOD Single : A 35 SER OG : rot 81:sc= 0.992 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.476 X(o=-0.48,f=-0.63) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 8:sc= -0.283 USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= 1.18 (180deg=1.02) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.068 USER MOD Single : A 67 ASN : amide:sc= -0.223 K(o=-0.22,f=-1.3) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 64:sc= 0.16 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.158 -16.769 2.907 1.00 0.00 N ATOM 2 CA GLY A 1 10.837 -18.135 3.279 1.00 0.00 C ATOM 3 C GLY A 1 11.928 -18.782 4.108 1.00 0.00 C ATOM 4 O GLY A 1 12.386 -18.212 5.098 1.00 0.00 O ATOM 0 H1 GLY A 1 10.381 -16.371 2.342 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.289 -16.197 3.766 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.034 -16.759 2.347 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.903 -18.145 3.841 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.672 -18.725 2.377 1.00 0.00 H new ATOM 8 N SER A 2 12.346 -19.978 3.703 1.00 0.00 N ATOM 9 CA SER A 2 13.386 -20.706 4.419 1.00 0.00 C ATOM 10 C SER A 2 14.748 -20.050 4.213 1.00 0.00 C ATOM 11 O SER A 2 15.486 -20.402 3.292 1.00 0.00 O ATOM 12 CB SER A 2 13.433 -22.162 3.952 1.00 0.00 C ATOM 13 OG SER A 2 13.795 -22.248 2.585 1.00 0.00 O ATOM 0 H SER A 2 11.980 -20.462 2.883 1.00 0.00 H new ATOM 0 HA SER A 2 13.147 -20.681 5.482 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.149 -22.718 4.557 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.459 -22.627 4.103 1.00 0.00 H new ATOM 0 HG SER A 2 14.588 -21.696 2.421 1.00 0.00 H new ATOM 19 N SER A 3 15.075 -19.095 5.077 1.00 0.00 N ATOM 20 CA SER A 3 16.346 -18.386 4.988 1.00 0.00 C ATOM 21 C SER A 3 17.472 -19.337 4.591 1.00 0.00 C ATOM 22 O SER A 3 17.591 -20.435 5.132 1.00 0.00 O ATOM 23 CB SER A 3 16.676 -17.717 6.324 1.00 0.00 C ATOM 24 OG SER A 3 16.661 -18.659 7.383 1.00 0.00 O ATOM 0 H SER A 3 14.477 -18.794 5.847 1.00 0.00 H new ATOM 0 HA SER A 3 16.253 -17.619 4.219 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.657 -17.246 6.266 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.954 -16.926 6.526 1.00 0.00 H new ATOM 0 HG SER A 3 16.877 -18.207 8.226 1.00 0.00 H new ATOM 30 N GLY A 4 18.296 -18.904 3.641 1.00 0.00 N ATOM 31 CA GLY A 4 19.401 -19.728 3.186 1.00 0.00 C ATOM 32 C GLY A 4 20.746 -19.065 3.405 1.00 0.00 C ATOM 33 O GLY A 4 21.373 -19.245 4.449 1.00 0.00 O ATOM 0 H GLY A 4 18.218 -17.998 3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.380 -20.682 3.712 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.275 -19.946 2.125 1.00 0.00 H new ATOM 37 N SER A 5 21.193 -18.296 2.417 1.00 0.00 N ATOM 38 CA SER A 5 22.475 -17.608 2.504 1.00 0.00 C ATOM 39 C SER A 5 22.301 -16.204 3.074 1.00 0.00 C ATOM 40 O SER A 5 21.181 -15.756 3.321 1.00 0.00 O ATOM 41 CB SER A 5 23.132 -17.532 1.124 1.00 0.00 C ATOM 42 OG SER A 5 24.475 -17.092 1.222 1.00 0.00 O ATOM 0 H SER A 5 20.686 -18.134 1.547 1.00 0.00 H new ATOM 0 HA SER A 5 23.119 -18.177 3.175 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.101 -18.512 0.649 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.568 -16.851 0.487 1.00 0.00 H new ATOM 0 HG SER A 5 24.873 -17.054 0.327 1.00 0.00 H new ATOM 48 N SER A 6 23.418 -15.513 3.282 1.00 0.00 N ATOM 49 CA SER A 6 23.391 -14.161 3.827 1.00 0.00 C ATOM 50 C SER A 6 24.010 -13.168 2.848 1.00 0.00 C ATOM 51 O SER A 6 24.570 -13.556 1.824 1.00 0.00 O ATOM 52 CB SER A 6 24.136 -14.111 5.162 1.00 0.00 C ATOM 53 OG SER A 6 23.631 -15.079 6.065 1.00 0.00 O ATOM 0 H SER A 6 24.353 -15.868 3.081 1.00 0.00 H new ATOM 0 HA SER A 6 22.350 -13.883 3.990 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.199 -14.284 4.995 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.040 -13.117 5.599 1.00 0.00 H new ATOM 0 HG SER A 6 24.125 -15.028 6.910 1.00 0.00 H new ATOM 59 N GLY A 7 23.904 -11.883 3.173 1.00 0.00 N ATOM 60 CA GLY A 7 24.458 -10.853 2.313 1.00 0.00 C ATOM 61 C GLY A 7 24.186 -11.115 0.845 1.00 0.00 C ATOM 62 O GLY A 7 25.023 -11.683 0.142 1.00 0.00 O ATOM 0 H GLY A 7 23.445 -11.537 4.016 1.00 0.00 H new ATOM 0 HA2 GLY A 7 24.037 -9.887 2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 7 25.534 -10.789 2.474 1.00 0.00 H new ATOM 66 N THR A 8 23.011 -10.703 0.379 1.00 0.00 N ATOM 67 CA THR A 8 22.630 -10.899 -1.014 1.00 0.00 C ATOM 68 C THR A 8 22.079 -9.613 -1.619 1.00 0.00 C ATOM 69 O THR A 8 21.432 -8.820 -0.934 1.00 0.00 O ATOM 70 CB THR A 8 21.575 -12.012 -1.156 1.00 0.00 C ATOM 71 OG1 THR A 8 21.198 -12.157 -2.530 1.00 0.00 O ATOM 72 CG2 THR A 8 20.345 -11.703 -0.316 1.00 0.00 C ATOM 0 H THR A 8 22.307 -10.231 0.946 1.00 0.00 H new ATOM 0 HA THR A 8 23.532 -11.193 -1.550 1.00 0.00 H new ATOM 0 HB THR A 8 22.013 -12.945 -0.800 1.00 0.00 H new ATOM 0 HG1 THR A 8 20.329 -11.728 -2.678 1.00 0.00 H new ATOM 0 HG21 THR A 8 19.614 -12.503 -0.433 1.00 0.00 H new ATOM 0 HG22 THR A 8 20.631 -11.623 0.733 1.00 0.00 H new ATOM 0 HG23 THR A 8 19.907 -10.761 -0.645 1.00 0.00 H new ATOM 80 N TYR A 9 22.339 -9.411 -2.906 1.00 0.00 N ATOM 81 CA TYR A 9 21.871 -8.220 -3.603 1.00 0.00 C ATOM 82 C TYR A 9 20.406 -8.364 -4.005 1.00 0.00 C ATOM 83 O TYR A 9 20.095 -8.752 -5.132 1.00 0.00 O ATOM 84 CB TYR A 9 22.728 -7.958 -4.843 1.00 0.00 C ATOM 85 CG TYR A 9 22.371 -6.680 -5.568 1.00 0.00 C ATOM 86 CD1 TYR A 9 22.816 -5.448 -5.104 1.00 0.00 C ATOM 87 CD2 TYR A 9 21.588 -6.704 -6.715 1.00 0.00 C ATOM 88 CE1 TYR A 9 22.492 -4.278 -5.762 1.00 0.00 C ATOM 89 CE2 TYR A 9 21.260 -5.539 -7.381 1.00 0.00 C ATOM 90 CZ TYR A 9 21.714 -4.329 -6.901 1.00 0.00 C ATOM 91 OH TYR A 9 21.388 -3.166 -7.560 1.00 0.00 O ATOM 0 H TYR A 9 22.872 -10.058 -3.488 1.00 0.00 H new ATOM 0 HA TYR A 9 21.961 -7.374 -2.922 1.00 0.00 H new ATOM 0 HB2 TYR A 9 23.776 -7.917 -4.548 1.00 0.00 H new ATOM 0 HB3 TYR A 9 22.623 -8.797 -5.531 1.00 0.00 H new ATOM 0 HD1 TYR A 9 23.426 -5.405 -4.214 1.00 0.00 H new ATOM 0 HD2 TYR A 9 21.229 -7.650 -7.093 1.00 0.00 H new ATOM 0 HE1 TYR A 9 22.845 -3.329 -5.388 1.00 0.00 H new ATOM 0 HE2 TYR A 9 20.651 -5.576 -8.272 1.00 0.00 H new ATOM 0 HH TYR A 9 20.837 -3.377 -8.342 1.00 0.00 H new ATOM 101 N ASP A 10 19.511 -8.049 -3.076 1.00 0.00 N ATOM 102 CA ASP A 10 18.078 -8.142 -3.332 1.00 0.00 C ATOM 103 C ASP A 10 17.405 -6.785 -3.152 1.00 0.00 C ATOM 104 O ASP A 10 16.277 -6.701 -2.666 1.00 0.00 O ATOM 105 CB ASP A 10 17.437 -9.171 -2.401 1.00 0.00 C ATOM 106 CG ASP A 10 17.475 -10.574 -2.974 1.00 0.00 C ATOM 107 OD1 ASP A 10 18.476 -10.916 -3.638 1.00 0.00 O ATOM 108 OD2 ASP A 10 16.505 -11.330 -2.759 1.00 0.00 O ATOM 0 H ASP A 10 19.752 -7.727 -2.139 1.00 0.00 H new ATOM 0 HA ASP A 10 17.939 -8.463 -4.364 1.00 0.00 H new ATOM 0 HB2 ASP A 10 17.954 -9.160 -1.441 1.00 0.00 H new ATOM 0 HB3 ASP A 10 16.402 -8.888 -2.209 1.00 0.00 H new ATOM 113 N GLU A 11 18.105 -5.726 -3.544 1.00 0.00 N ATOM 114 CA GLU A 11 17.575 -4.373 -3.423 1.00 0.00 C ATOM 115 C GLU A 11 17.273 -4.035 -1.966 1.00 0.00 C ATOM 116 O GLU A 11 16.230 -3.460 -1.654 1.00 0.00 O ATOM 117 CB GLU A 11 16.308 -4.220 -4.267 1.00 0.00 C ATOM 118 CG GLU A 11 16.583 -4.010 -5.746 1.00 0.00 C ATOM 119 CD GLU A 11 15.318 -4.027 -6.583 1.00 0.00 C ATOM 120 OE1 GLU A 11 14.311 -4.605 -6.123 1.00 0.00 O ATOM 121 OE2 GLU A 11 15.336 -3.463 -7.697 1.00 0.00 O ATOM 0 H GLU A 11 19.040 -5.778 -3.948 1.00 0.00 H new ATOM 0 HA GLU A 11 18.332 -3.680 -3.789 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.690 -5.109 -4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.730 -3.376 -3.890 1.00 0.00 H new ATOM 0 HG2 GLU A 11 17.093 -3.057 -5.885 1.00 0.00 H new ATOM 0 HG3 GLU A 11 17.259 -4.788 -6.100 1.00 0.00 H new ATOM 128 N TYR A 12 18.192 -4.398 -1.078 1.00 0.00 N ATOM 129 CA TYR A 12 18.023 -4.137 0.346 1.00 0.00 C ATOM 130 C TYR A 12 17.890 -2.641 0.614 1.00 0.00 C ATOM 131 O TYR A 12 17.499 -2.228 1.705 1.00 0.00 O ATOM 132 CB TYR A 12 19.206 -4.703 1.133 1.00 0.00 C ATOM 133 CG TYR A 12 20.459 -3.864 1.031 1.00 0.00 C ATOM 134 CD1 TYR A 12 20.764 -3.174 -0.136 1.00 0.00 C ATOM 135 CD2 TYR A 12 21.339 -3.760 2.102 1.00 0.00 C ATOM 136 CE1 TYR A 12 21.908 -2.406 -0.234 1.00 0.00 C ATOM 137 CE2 TYR A 12 22.485 -2.993 2.014 1.00 0.00 C ATOM 138 CZ TYR A 12 22.765 -2.319 0.844 1.00 0.00 C ATOM 139 OH TYR A 12 23.905 -1.554 0.750 1.00 0.00 O ATOM 0 H TYR A 12 19.061 -4.874 -1.319 1.00 0.00 H new ATOM 0 HA TYR A 12 17.107 -4.629 0.673 1.00 0.00 H new ATOM 0 HB2 TYR A 12 18.924 -4.793 2.182 1.00 0.00 H new ATOM 0 HB3 TYR A 12 19.422 -5.709 0.774 1.00 0.00 H new ATOM 0 HD1 TYR A 12 20.095 -3.239 -0.981 1.00 0.00 H new ATOM 0 HD2 TYR A 12 21.123 -4.288 3.019 1.00 0.00 H new ATOM 0 HE1 TYR A 12 22.130 -1.877 -1.149 1.00 0.00 H new ATOM 0 HE2 TYR A 12 23.157 -2.922 2.856 1.00 0.00 H new ATOM 0 HH TYR A 12 24.399 -1.598 1.595 1.00 0.00 H new ATOM 149 N GLU A 13 18.216 -1.835 -0.391 1.00 0.00 N ATOM 150 CA GLU A 13 18.133 -0.384 -0.265 1.00 0.00 C ATOM 151 C GLU A 13 16.793 0.131 -0.782 1.00 0.00 C ATOM 152 O GLU A 13 16.741 1.071 -1.573 1.00 0.00 O ATOM 153 CB GLU A 13 19.278 0.283 -1.030 1.00 0.00 C ATOM 154 CG GLU A 13 20.522 0.508 -0.188 1.00 0.00 C ATOM 155 CD GLU A 13 21.710 0.966 -1.012 1.00 0.00 C ATOM 156 OE1 GLU A 13 22.159 0.196 -1.886 1.00 0.00 O ATOM 157 OE2 GLU A 13 22.189 2.097 -0.784 1.00 0.00 O ATOM 0 H GLU A 13 18.540 -2.162 -1.301 1.00 0.00 H new ATOM 0 HA GLU A 13 18.216 -0.131 0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 13 19.538 -0.335 -1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 13 18.934 1.242 -1.419 1.00 0.00 H new ATOM 0 HG2 GLU A 13 20.307 1.253 0.578 1.00 0.00 H new ATOM 0 HG3 GLU A 13 20.778 -0.417 0.329 1.00 0.00 H new ATOM 164 N ASN A 14 15.711 -0.494 -0.329 1.00 0.00 N ATOM 165 CA ASN A 14 14.370 -0.100 -0.746 1.00 0.00 C ATOM 166 C ASN A 14 13.573 0.452 0.433 1.00 0.00 C ATOM 167 O ASN A 14 13.648 -0.071 1.545 1.00 0.00 O ATOM 168 CB ASN A 14 13.633 -1.292 -1.360 1.00 0.00 C ATOM 169 CG ASN A 14 14.031 -1.537 -2.803 1.00 0.00 C ATOM 170 OD1 ASN A 14 14.891 -0.844 -3.347 1.00 0.00 O ATOM 171 ND2 ASN A 14 13.404 -2.526 -3.430 1.00 0.00 N ATOM 0 H ASN A 14 15.737 -1.275 0.327 1.00 0.00 H new ATOM 0 HA ASN A 14 14.466 0.685 -1.496 1.00 0.00 H new ATOM 0 HB2 ASN A 14 13.840 -2.186 -0.772 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.558 -1.118 -1.307 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.629 -2.737 -4.402 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.698 -3.074 -2.939 1.00 0.00 H new ATOM 178 N ASP A 15 12.811 1.510 0.181 1.00 0.00 N ATOM 179 CA ASP A 15 11.999 2.132 1.220 1.00 0.00 C ATOM 180 C ASP A 15 10.514 2.008 0.896 1.00 0.00 C ATOM 181 O ASP A 15 9.890 2.957 0.418 1.00 0.00 O ATOM 182 CB ASP A 15 12.378 3.606 1.379 1.00 0.00 C ATOM 183 CG ASP A 15 13.875 3.831 1.290 1.00 0.00 C ATOM 184 OD1 ASP A 15 14.581 3.523 2.273 1.00 0.00 O ATOM 185 OD2 ASP A 15 14.339 4.316 0.238 1.00 0.00 O ATOM 0 H ASP A 15 12.738 1.955 -0.734 1.00 0.00 H new ATOM 0 HA ASP A 15 12.192 1.612 2.158 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.879 4.192 0.607 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.015 3.970 2.340 1.00 0.00 H new ATOM 190 N LEU A 16 9.953 0.833 1.158 1.00 0.00 N ATOM 191 CA LEU A 16 8.540 0.584 0.893 1.00 0.00 C ATOM 192 C LEU A 16 7.660 1.315 1.902 1.00 0.00 C ATOM 193 O LEU A 16 6.706 1.997 1.530 1.00 0.00 O ATOM 194 CB LEU A 16 8.249 -0.917 0.938 1.00 0.00 C ATOM 195 CG LEU A 16 9.026 -1.782 -0.055 1.00 0.00 C ATOM 196 CD1 LEU A 16 10.497 -1.841 0.326 1.00 0.00 C ATOM 197 CD2 LEU A 16 8.433 -3.182 -0.122 1.00 0.00 C ATOM 0 H LEU A 16 10.454 0.038 1.554 1.00 0.00 H new ATOM 0 HA LEU A 16 8.310 0.962 -0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.459 -1.277 1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.184 -1.066 0.762 1.00 0.00 H new ATOM 0 HG LEU A 16 8.946 -1.328 -1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.034 -2.461 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.915 -0.834 0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.598 -2.270 1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.999 -3.783 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.481 -3.645 0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.393 -3.122 -0.444 1.00 0.00 H new ATOM 209 N GLY A 17 7.988 1.168 3.182 1.00 0.00 N ATOM 210 CA GLY A 17 7.219 1.821 4.225 1.00 0.00 C ATOM 211 C GLY A 17 5.989 1.028 4.621 1.00 0.00 C ATOM 212 O GLY A 17 6.001 -0.203 4.594 1.00 0.00 O ATOM 0 H GLY A 17 8.773 0.608 3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.851 1.967 5.101 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.915 2.810 3.883 1.00 0.00 H new ATOM 216 N ILE A 18 4.926 1.734 4.992 1.00 0.00 N ATOM 217 CA ILE A 18 3.684 1.088 5.397 1.00 0.00 C ATOM 218 C ILE A 18 2.946 0.514 4.192 1.00 0.00 C ATOM 219 O ILE A 18 2.757 1.194 3.183 1.00 0.00 O ATOM 220 CB ILE A 18 2.754 2.069 6.135 1.00 0.00 C ATOM 221 CG1 ILE A 18 3.454 2.637 7.371 1.00 0.00 C ATOM 222 CG2 ILE A 18 1.457 1.376 6.525 1.00 0.00 C ATOM 223 CD1 ILE A 18 4.303 3.854 7.079 1.00 0.00 C ATOM 0 H ILE A 18 4.900 2.753 5.020 1.00 0.00 H new ATOM 0 HA ILE A 18 3.955 0.278 6.074 1.00 0.00 H new ATOM 0 HB ILE A 18 2.515 2.895 5.465 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.703 2.899 8.116 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.083 1.863 7.811 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.810 2.082 7.046 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.953 1.015 5.628 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.677 0.534 7.181 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.769 4.202 8.001 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.077 3.593 6.358 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.676 4.645 6.668 1.00 0.00 H new ATOM 235 N THR A 19 2.528 -0.743 4.305 1.00 0.00 N ATOM 236 CA THR A 19 1.809 -1.410 3.227 1.00 0.00 C ATOM 237 C THR A 19 0.427 -1.862 3.684 1.00 0.00 C ATOM 238 O THR A 19 0.180 -2.020 4.879 1.00 0.00 O ATOM 239 CB THR A 19 2.589 -2.630 2.702 1.00 0.00 C ATOM 240 OG1 THR A 19 2.749 -3.595 3.747 1.00 0.00 O ATOM 241 CG2 THR A 19 3.954 -2.214 2.175 1.00 0.00 C ATOM 0 H THR A 19 2.675 -1.320 5.133 1.00 0.00 H new ATOM 0 HA THR A 19 1.702 -0.683 2.422 1.00 0.00 H new ATOM 0 HB THR A 19 2.021 -3.072 1.883 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.244 -4.368 3.405 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.486 -3.092 1.810 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.828 -1.501 1.360 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.528 -1.750 2.977 1.00 0.00 H new ATOM 249 N ALA A 20 -0.469 -2.071 2.726 1.00 0.00 N ATOM 250 CA ALA A 20 -1.826 -2.508 3.031 1.00 0.00 C ATOM 251 C ALA A 20 -2.377 -3.399 1.923 1.00 0.00 C ATOM 252 O ALA A 20 -1.811 -3.474 0.832 1.00 0.00 O ATOM 253 CB ALA A 20 -2.733 -1.306 3.244 1.00 0.00 C ATOM 0 H ALA A 20 -0.280 -1.945 1.732 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.795 -3.092 3.951 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.743 -1.648 3.471 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.357 -0.709 4.075 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.750 -0.698 2.339 1.00 0.00 H new ATOM 259 N VAL A 21 -3.485 -4.075 2.210 1.00 0.00 N ATOM 260 CA VAL A 21 -4.114 -4.962 1.238 1.00 0.00 C ATOM 261 C VAL A 21 -5.530 -4.502 0.910 1.00 0.00 C ATOM 262 O VAL A 21 -6.313 -4.186 1.805 1.00 0.00 O ATOM 263 CB VAL A 21 -4.162 -6.413 1.750 1.00 0.00 C ATOM 264 CG1 VAL A 21 -5.195 -6.555 2.857 1.00 0.00 C ATOM 265 CG2 VAL A 21 -4.459 -7.372 0.607 1.00 0.00 C ATOM 0 H VAL A 21 -3.966 -4.025 3.108 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.505 -4.924 0.335 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.185 -6.666 2.162 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.215 -7.587 3.206 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.933 -5.897 3.685 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.179 -6.283 2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.489 -8.393 0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.422 -7.122 0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.678 -7.289 -0.149 1.00 0.00 H new ATOM 275 N ALA A 22 -5.852 -4.469 -0.379 1.00 0.00 N ATOM 276 CA ALA A 22 -7.175 -4.050 -0.825 1.00 0.00 C ATOM 277 C ALA A 22 -8.228 -5.099 -0.480 1.00 0.00 C ATOM 278 O ALA A 22 -7.979 -6.301 -0.584 1.00 0.00 O ATOM 279 CB ALA A 22 -7.167 -3.781 -2.322 1.00 0.00 C ATOM 0 H ALA A 22 -5.215 -4.727 -1.132 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.432 -3.128 -0.303 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.162 -3.469 -2.641 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.450 -2.991 -2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.884 -4.690 -2.853 1.00 0.00 H new ATOM 285 N LEU A 23 -9.403 -4.637 -0.068 1.00 0.00 N ATOM 286 CA LEU A 23 -10.494 -5.535 0.294 1.00 0.00 C ATOM 287 C LEU A 23 -11.517 -5.631 -0.834 1.00 0.00 C ATOM 288 O LEU A 23 -12.104 -6.689 -1.065 1.00 0.00 O ATOM 289 CB LEU A 23 -11.175 -5.053 1.576 1.00 0.00 C ATOM 290 CG LEU A 23 -10.254 -4.790 2.767 1.00 0.00 C ATOM 291 CD1 LEU A 23 -10.973 -3.970 3.827 1.00 0.00 C ATOM 292 CD2 LEU A 23 -9.752 -6.102 3.354 1.00 0.00 C ATOM 0 H LEU A 23 -9.625 -3.646 0.024 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.074 -6.526 0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.718 -4.134 1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.915 -5.796 1.872 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.394 -4.219 2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.302 -3.793 4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.281 -3.015 3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.852 -4.514 4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.098 -5.895 4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.600 -6.699 3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.198 -6.652 2.594 1.00 0.00 H new ATOM 304 N TYR A 24 -11.723 -4.522 -1.534 1.00 0.00 N ATOM 305 CA TYR A 24 -12.675 -4.480 -2.638 1.00 0.00 C ATOM 306 C TYR A 24 -12.170 -3.576 -3.759 1.00 0.00 C ATOM 307 O TYR A 24 -11.468 -2.596 -3.512 1.00 0.00 O ATOM 308 CB TYR A 24 -14.037 -3.989 -2.146 1.00 0.00 C ATOM 309 CG TYR A 24 -14.436 -4.556 -0.802 1.00 0.00 C ATOM 310 CD1 TYR A 24 -13.980 -3.983 0.379 1.00 0.00 C ATOM 311 CD2 TYR A 24 -15.268 -5.665 -0.713 1.00 0.00 C ATOM 312 CE1 TYR A 24 -14.341 -4.497 1.609 1.00 0.00 C ATOM 313 CE2 TYR A 24 -15.635 -6.186 0.513 1.00 0.00 C ATOM 314 CZ TYR A 24 -15.169 -5.599 1.671 1.00 0.00 C ATOM 315 OH TYR A 24 -15.532 -6.115 2.894 1.00 0.00 O ATOM 0 H TYR A 24 -11.244 -3.639 -1.357 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.781 -5.491 -3.031 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -14.020 -2.901 -2.081 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -14.796 -4.253 -2.882 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.332 -3.120 0.334 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -15.634 -6.128 -1.618 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -13.977 -4.039 2.517 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -16.283 -7.048 0.564 1.00 0.00 H new ATOM 0 HH TYR A 24 -16.119 -6.889 2.762 1.00 0.00 H new ATOM 325 N ASP A 25 -12.535 -3.914 -4.991 1.00 0.00 N ATOM 326 CA ASP A 25 -12.121 -3.133 -6.151 1.00 0.00 C ATOM 327 C ASP A 25 -12.515 -1.668 -5.988 1.00 0.00 C ATOM 328 O ASP A 25 -13.489 -1.348 -5.307 1.00 0.00 O ATOM 329 CB ASP A 25 -12.747 -3.703 -7.425 1.00 0.00 C ATOM 330 CG ASP A 25 -14.262 -3.686 -7.384 1.00 0.00 C ATOM 331 OD1 ASP A 25 -14.826 -2.818 -6.686 1.00 0.00 O ATOM 332 OD2 ASP A 25 -14.884 -4.541 -8.049 1.00 0.00 O ATOM 0 H ASP A 25 -13.116 -4.723 -5.212 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.035 -3.192 -6.230 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.403 -3.127 -8.284 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.402 -4.727 -7.569 1.00 0.00 H new ATOM 337 N TYR A 26 -11.750 -0.782 -6.617 1.00 0.00 N ATOM 338 CA TYR A 26 -12.016 0.649 -6.539 1.00 0.00 C ATOM 339 C TYR A 26 -11.532 1.362 -7.797 1.00 0.00 C ATOM 340 O TYR A 26 -10.364 1.260 -8.171 1.00 0.00 O ATOM 341 CB TYR A 26 -11.337 1.249 -5.306 1.00 0.00 C ATOM 342 CG TYR A 26 -11.940 2.562 -4.861 1.00 0.00 C ATOM 343 CD1 TYR A 26 -11.744 3.724 -5.596 1.00 0.00 C ATOM 344 CD2 TYR A 26 -12.708 2.639 -3.705 1.00 0.00 C ATOM 345 CE1 TYR A 26 -12.293 4.926 -5.193 1.00 0.00 C ATOM 346 CE2 TYR A 26 -13.262 3.836 -3.295 1.00 0.00 C ATOM 347 CZ TYR A 26 -13.051 4.977 -4.042 1.00 0.00 C ATOM 348 OH TYR A 26 -13.601 6.172 -3.637 1.00 0.00 O ATOM 0 H TYR A 26 -10.941 -1.030 -7.186 1.00 0.00 H new ATOM 0 HA TYR A 26 -13.094 0.788 -6.456 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.397 0.535 -4.485 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.279 1.399 -5.521 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -11.152 3.687 -6.499 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.874 1.748 -3.118 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.130 5.820 -5.776 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -13.857 3.879 -2.395 1.00 0.00 H new ATOM 0 HH TYR A 26 -14.106 6.035 -2.808 1.00 0.00 H new ATOM 358 N GLN A 27 -12.440 2.085 -8.445 1.00 0.00 N ATOM 359 CA GLN A 27 -12.107 2.816 -9.662 1.00 0.00 C ATOM 360 C GLN A 27 -12.068 4.319 -9.401 1.00 0.00 C ATOM 361 O GLN A 27 -13.100 4.988 -9.417 1.00 0.00 O ATOM 362 CB GLN A 27 -13.121 2.504 -10.764 1.00 0.00 C ATOM 363 CG GLN A 27 -14.562 2.495 -10.279 1.00 0.00 C ATOM 364 CD GLN A 27 -14.987 1.144 -9.738 1.00 0.00 C ATOM 365 OE1 GLN A 27 -15.544 1.047 -8.644 1.00 0.00 O ATOM 366 NE2 GLN A 27 -14.726 0.091 -10.504 1.00 0.00 N ATOM 0 H GLN A 27 -13.411 2.180 -8.148 1.00 0.00 H new ATOM 0 HA GLN A 27 -11.117 2.496 -9.988 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.019 3.242 -11.560 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -12.886 1.532 -11.198 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.684 3.249 -9.501 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.220 2.776 -11.101 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.263 0.217 -11.404 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.989 -0.844 -10.193 1.00 0.00 H new ATOM 375 N ALA A 28 -10.870 4.841 -9.161 1.00 0.00 N ATOM 376 CA ALA A 28 -10.696 6.264 -8.899 1.00 0.00 C ATOM 377 C ALA A 28 -11.522 7.106 -9.865 1.00 0.00 C ATOM 378 O ALA A 28 -11.522 6.862 -11.071 1.00 0.00 O ATOM 379 CB ALA A 28 -9.225 6.642 -8.991 1.00 0.00 C ATOM 0 H ALA A 28 -10.006 4.300 -9.143 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.049 6.467 -7.888 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.110 7.708 -8.793 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.656 6.073 -8.255 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.853 6.417 -9.991 1.00 0.00 H new ATOM 385 N ALA A 29 -12.225 8.097 -9.327 1.00 0.00 N ATOM 386 CA ALA A 29 -13.055 8.975 -10.143 1.00 0.00 C ATOM 387 C ALA A 29 -12.198 9.915 -10.984 1.00 0.00 C ATOM 388 O ALA A 29 -12.478 10.140 -12.161 1.00 0.00 O ATOM 389 CB ALA A 29 -14.005 9.772 -9.261 1.00 0.00 C ATOM 0 H ALA A 29 -12.236 8.312 -8.330 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.640 8.354 -10.821 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.619 10.423 -9.883 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.648 9.088 -8.707 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.430 10.377 -8.560 1.00 0.00 H new ATOM 395 N GLY A 30 -11.152 10.462 -10.372 1.00 0.00 N ATOM 396 CA GLY A 30 -10.271 11.372 -11.080 1.00 0.00 C ATOM 397 C GLY A 30 -8.809 11.004 -10.921 1.00 0.00 C ATOM 398 O GLY A 30 -8.465 10.126 -10.130 1.00 0.00 O ATOM 0 H GLY A 30 -10.899 10.291 -9.399 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.529 11.373 -12.139 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.429 12.386 -10.713 1.00 0.00 H new ATOM 402 N ASP A 31 -7.946 11.676 -11.676 1.00 0.00 N ATOM 403 CA ASP A 31 -6.513 11.414 -11.616 1.00 0.00 C ATOM 404 C ASP A 31 -6.013 11.451 -10.176 1.00 0.00 C ATOM 405 O ASP A 31 -5.212 10.612 -9.764 1.00 0.00 O ATOM 406 CB ASP A 31 -5.751 12.438 -12.460 1.00 0.00 C ATOM 407 CG ASP A 31 -6.378 13.817 -12.404 1.00 0.00 C ATOM 408 OD1 ASP A 31 -6.144 14.536 -11.409 1.00 0.00 O ATOM 409 OD2 ASP A 31 -7.103 14.177 -13.354 1.00 0.00 O ATOM 0 H ASP A 31 -8.214 12.406 -12.336 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.334 10.417 -12.018 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.720 12.497 -12.111 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.718 12.099 -13.495 1.00 0.00 H new ATOM 414 N ASP A 32 -6.491 12.429 -9.414 1.00 0.00 N ATOM 415 CA ASP A 32 -6.093 12.575 -8.019 1.00 0.00 C ATOM 416 C ASP A 32 -6.190 11.242 -7.283 1.00 0.00 C ATOM 417 O ASP A 32 -5.283 10.865 -6.542 1.00 0.00 O ATOM 418 CB ASP A 32 -6.967 13.620 -7.324 1.00 0.00 C ATOM 419 CG ASP A 32 -8.437 13.464 -7.663 1.00 0.00 C ATOM 420 OD1 ASP A 32 -8.879 14.058 -8.668 1.00 0.00 O ATOM 421 OD2 ASP A 32 -9.144 12.749 -6.923 1.00 0.00 O ATOM 0 H ASP A 32 -7.154 13.132 -9.739 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.055 12.907 -7.996 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.836 13.540 -6.245 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.635 14.617 -7.612 1.00 0.00 H new ATOM 426 N GLU A 33 -7.296 10.536 -7.493 1.00 0.00 N ATOM 427 CA GLU A 33 -7.512 9.246 -6.848 1.00 0.00 C ATOM 428 C GLU A 33 -6.848 8.123 -7.640 1.00 0.00 C ATOM 429 O GLU A 33 -6.582 8.266 -8.834 1.00 0.00 O ATOM 430 CB GLU A 33 -9.009 8.966 -6.704 1.00 0.00 C ATOM 431 CG GLU A 33 -9.698 9.853 -5.680 1.00 0.00 C ATOM 432 CD GLU A 33 -11.193 9.957 -5.910 1.00 0.00 C ATOM 433 OE1 GLU A 33 -11.834 8.907 -6.129 1.00 0.00 O ATOM 434 OE2 GLU A 33 -11.723 11.087 -5.872 1.00 0.00 O ATOM 0 H GLU A 33 -8.056 10.835 -8.104 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.060 9.285 -5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.490 9.102 -7.672 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.150 7.923 -6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.515 9.458 -4.681 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.259 10.850 -5.714 1.00 0.00 H new ATOM 441 N ILE A 34 -6.582 7.009 -6.967 1.00 0.00 N ATOM 442 CA ILE A 34 -5.950 5.863 -7.608 1.00 0.00 C ATOM 443 C ILE A 34 -6.852 4.634 -7.550 1.00 0.00 C ATOM 444 O ILE A 34 -7.690 4.508 -6.657 1.00 0.00 O ATOM 445 CB ILE A 34 -4.599 5.525 -6.950 1.00 0.00 C ATOM 446 CG1 ILE A 34 -4.778 5.311 -5.446 1.00 0.00 C ATOM 447 CG2 ILE A 34 -3.589 6.631 -7.216 1.00 0.00 C ATOM 448 CD1 ILE A 34 -3.662 4.510 -4.812 1.00 0.00 C ATOM 0 H ILE A 34 -6.794 6.876 -5.978 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.780 6.137 -8.649 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.221 4.601 -7.387 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.842 6.282 -4.954 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.725 4.801 -5.270 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.639 6.378 -6.745 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.443 6.740 -8.291 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.960 7.569 -6.803 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.855 4.398 -3.745 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.611 3.526 -5.277 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.714 5.029 -4.956 1.00 0.00 H new ATOM 460 N SER A 35 -6.673 3.730 -8.508 1.00 0.00 N ATOM 461 CA SER A 35 -7.471 2.512 -8.568 1.00 0.00 C ATOM 462 C SER A 35 -6.618 1.287 -8.253 1.00 0.00 C ATOM 463 O SER A 35 -5.389 1.347 -8.288 1.00 0.00 O ATOM 464 CB SER A 35 -8.109 2.362 -9.951 1.00 0.00 C ATOM 465 OG SER A 35 -8.700 1.083 -10.104 1.00 0.00 O ATOM 0 H SER A 35 -5.982 3.819 -9.253 1.00 0.00 H new ATOM 0 HA SER A 35 -8.259 2.587 -7.819 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.865 3.135 -10.092 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.353 2.511 -10.722 1.00 0.00 H new ATOM 0 HG SER A 35 -9.581 1.076 -9.674 1.00 0.00 H new ATOM 471 N PHE A 36 -7.280 0.176 -7.947 1.00 0.00 N ATOM 472 CA PHE A 36 -6.583 -1.065 -7.625 1.00 0.00 C ATOM 473 C PHE A 36 -7.571 -2.216 -7.461 1.00 0.00 C ATOM 474 O PHE A 36 -8.735 -2.006 -7.120 1.00 0.00 O ATOM 475 CB PHE A 36 -5.762 -0.896 -6.345 1.00 0.00 C ATOM 476 CG PHE A 36 -6.416 -0.007 -5.326 1.00 0.00 C ATOM 477 CD1 PHE A 36 -7.635 -0.353 -4.765 1.00 0.00 C ATOM 478 CD2 PHE A 36 -5.812 1.175 -4.929 1.00 0.00 C ATOM 479 CE1 PHE A 36 -8.239 0.464 -3.828 1.00 0.00 C ATOM 480 CE2 PHE A 36 -6.411 1.996 -3.992 1.00 0.00 C ATOM 481 CZ PHE A 36 -7.626 1.639 -3.440 1.00 0.00 C ATOM 0 H PHE A 36 -8.297 0.109 -7.915 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.911 -1.301 -8.451 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.589 -1.877 -5.902 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.786 -0.485 -6.601 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.119 -1.271 -5.063 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.862 1.458 -5.357 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.190 0.184 -3.400 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.930 2.915 -3.692 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.096 2.278 -2.706 1.00 0.00 H new ATOM 491 N ASP A 37 -7.098 -3.433 -7.707 1.00 0.00 N ATOM 492 CA ASP A 37 -7.938 -4.619 -7.587 1.00 0.00 C ATOM 493 C ASP A 37 -7.955 -5.129 -6.149 1.00 0.00 C ATOM 494 O ASP A 37 -7.090 -4.799 -5.337 1.00 0.00 O ATOM 495 CB ASP A 37 -7.441 -5.719 -8.526 1.00 0.00 C ATOM 496 CG ASP A 37 -8.089 -5.649 -9.894 1.00 0.00 C ATOM 497 OD1 ASP A 37 -9.283 -5.292 -9.967 1.00 0.00 O ATOM 498 OD2 ASP A 37 -7.402 -5.952 -10.893 1.00 0.00 O ATOM 0 H ASP A 37 -6.137 -3.624 -7.991 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.955 -4.345 -7.868 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.359 -5.638 -8.635 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.645 -6.693 -8.080 1.00 0.00 H new ATOM 503 N PRO A 38 -8.963 -5.952 -5.825 1.00 0.00 N ATOM 504 CA PRO A 38 -9.118 -6.524 -4.485 1.00 0.00 C ATOM 505 C PRO A 38 -8.043 -7.558 -4.168 1.00 0.00 C ATOM 506 O PRO A 38 -7.650 -8.343 -5.031 1.00 0.00 O ATOM 507 CB PRO A 38 -10.497 -7.186 -4.539 1.00 0.00 C ATOM 508 CG PRO A 38 -10.717 -7.487 -5.981 1.00 0.00 C ATOM 509 CD PRO A 38 -10.030 -6.387 -6.742 1.00 0.00 C ATOM 0 HA PRO A 38 -9.023 -5.768 -3.706 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.524 -8.094 -3.937 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.270 -6.523 -4.151 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.304 -8.461 -6.244 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.781 -7.518 -6.215 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.625 -6.745 -7.688 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.715 -5.572 -6.977 1.00 0.00 H new ATOM 517 N ASP A 39 -7.571 -7.553 -2.926 1.00 0.00 N ATOM 518 CA ASP A 39 -6.542 -8.492 -2.496 1.00 0.00 C ATOM 519 C ASP A 39 -5.187 -8.124 -3.091 1.00 0.00 C ATOM 520 O ASP A 39 -4.340 -8.989 -3.316 1.00 0.00 O ATOM 521 CB ASP A 39 -6.920 -9.918 -2.900 1.00 0.00 C ATOM 522 CG ASP A 39 -8.417 -10.154 -2.853 1.00 0.00 C ATOM 523 OD1 ASP A 39 -9.039 -9.816 -1.825 1.00 0.00 O ATOM 524 OD2 ASP A 39 -8.966 -10.679 -3.845 1.00 0.00 O ATOM 0 H ASP A 39 -7.885 -6.909 -2.200 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.468 -8.438 -1.410 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.555 -10.116 -3.908 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.422 -10.625 -2.236 1.00 0.00 H new ATOM 529 N ASP A 40 -4.989 -6.835 -3.347 1.00 0.00 N ATOM 530 CA ASP A 40 -3.737 -6.352 -3.917 1.00 0.00 C ATOM 531 C ASP A 40 -2.797 -5.855 -2.823 1.00 0.00 C ATOM 532 O ASP A 40 -3.160 -5.826 -1.646 1.00 0.00 O ATOM 533 CB ASP A 40 -4.008 -5.232 -4.922 1.00 0.00 C ATOM 534 CG ASP A 40 -4.227 -5.755 -6.328 1.00 0.00 C ATOM 535 OD1 ASP A 40 -3.845 -6.914 -6.596 1.00 0.00 O ATOM 536 OD2 ASP A 40 -4.783 -5.007 -7.159 1.00 0.00 O ATOM 0 H ASP A 40 -5.680 -6.106 -3.169 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.257 -7.184 -4.433 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.886 -4.669 -4.606 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.168 -4.538 -4.923 1.00 0.00 H new ATOM 541 N ILE A 41 -1.590 -5.465 -3.218 1.00 0.00 N ATOM 542 CA ILE A 41 -0.600 -4.969 -2.271 1.00 0.00 C ATOM 543 C ILE A 41 -0.180 -3.543 -2.611 1.00 0.00 C ATOM 544 O ILE A 41 0.083 -3.222 -3.770 1.00 0.00 O ATOM 545 CB ILE A 41 0.651 -5.867 -2.242 1.00 0.00 C ATOM 546 CG1 ILE A 41 0.255 -7.322 -1.984 1.00 0.00 C ATOM 547 CG2 ILE A 41 1.627 -5.382 -1.181 1.00 0.00 C ATOM 548 CD1 ILE A 41 -0.386 -7.543 -0.632 1.00 0.00 C ATOM 0 H ILE A 41 -1.274 -5.483 -4.188 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.070 -4.982 -1.288 1.00 0.00 H new ATOM 0 HB ILE A 41 1.143 -5.811 -3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.436 -7.645 -2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.142 -7.951 -2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.506 -6.027 -1.173 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.930 -4.359 -1.405 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.146 -5.412 -0.203 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.641 -8.597 -0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.311 -7.251 0.153 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.291 -6.941 -0.556 1.00 0.00 H new ATOM 560 N ILE A 42 -0.119 -2.691 -1.592 1.00 0.00 N ATOM 561 CA ILE A 42 0.272 -1.300 -1.783 1.00 0.00 C ATOM 562 C ILE A 42 1.471 -0.942 -0.912 1.00 0.00 C ATOM 563 O ILE A 42 1.577 -1.384 0.232 1.00 0.00 O ATOM 564 CB ILE A 42 -0.888 -0.340 -1.460 1.00 0.00 C ATOM 565 CG1 ILE A 42 -2.033 -0.536 -2.455 1.00 0.00 C ATOM 566 CG2 ILE A 42 -0.403 1.102 -1.478 1.00 0.00 C ATOM 567 CD1 ILE A 42 -3.043 -1.574 -2.019 1.00 0.00 C ATOM 0 H ILE A 42 -0.335 -2.940 -0.627 1.00 0.00 H new ATOM 0 HA ILE A 42 0.543 -1.189 -2.833 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.259 -0.565 -0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.543 0.416 -2.601 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.619 -0.827 -3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.234 1.768 -1.248 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.382 1.231 -0.733 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.009 1.341 -2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.826 -1.659 -2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.547 -2.537 -1.900 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.486 -1.275 -1.069 1.00 0.00 H new ATOM 579 N THR A 43 2.374 -0.135 -1.461 1.00 0.00 N ATOM 580 CA THR A 43 3.566 0.284 -0.735 1.00 0.00 C ATOM 581 C THR A 43 3.684 1.804 -0.701 1.00 0.00 C ATOM 582 O THR A 43 2.974 2.506 -1.419 1.00 0.00 O ATOM 583 CB THR A 43 4.843 -0.304 -1.364 1.00 0.00 C ATOM 584 OG1 THR A 43 5.045 0.248 -2.670 1.00 0.00 O ATOM 585 CG2 THR A 43 4.753 -1.820 -1.456 1.00 0.00 C ATOM 0 H THR A 43 2.302 0.241 -2.406 1.00 0.00 H new ATOM 0 HA THR A 43 3.464 -0.093 0.283 1.00 0.00 H new ATOM 0 HB THR A 43 5.688 -0.045 -0.726 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.860 -0.130 -3.062 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.666 -2.212 -1.903 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.630 -2.238 -0.457 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.899 -2.097 -2.074 1.00 0.00 H new ATOM 593 N ASN A 44 4.585 2.305 0.138 1.00 0.00 N ATOM 594 CA ASN A 44 4.795 3.742 0.265 1.00 0.00 C ATOM 595 C ASN A 44 3.513 4.442 0.707 1.00 0.00 C ATOM 596 O ASN A 44 3.131 5.471 0.148 1.00 0.00 O ATOM 597 CB ASN A 44 5.276 4.328 -1.064 1.00 0.00 C ATOM 598 CG ASN A 44 6.777 4.205 -1.240 1.00 0.00 C ATOM 599 OD1 ASN A 44 7.411 5.054 -1.867 1.00 0.00 O ATOM 600 ND2 ASN A 44 7.353 3.145 -0.686 1.00 0.00 N ATOM 0 H ASN A 44 5.181 1.737 0.740 1.00 0.00 H new ATOM 0 HA ASN A 44 5.559 3.906 1.025 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.773 3.818 -1.886 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.991 5.379 -1.119 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.360 3.009 -0.771 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.788 2.466 -0.175 1.00 0.00 H new ATOM 607 N ILE A 45 2.855 3.878 1.714 1.00 0.00 N ATOM 608 CA ILE A 45 1.618 4.449 2.233 1.00 0.00 C ATOM 609 C ILE A 45 1.901 5.644 3.138 1.00 0.00 C ATOM 610 O ILE A 45 2.677 5.545 4.088 1.00 0.00 O ATOM 611 CB ILE A 45 0.803 3.406 3.019 1.00 0.00 C ATOM 612 CG1 ILE A 45 0.332 2.287 2.088 1.00 0.00 C ATOM 613 CG2 ILE A 45 -0.384 4.067 3.703 1.00 0.00 C ATOM 614 CD1 ILE A 45 -0.252 1.098 2.818 1.00 0.00 C ATOM 0 H ILE A 45 3.158 3.026 2.187 1.00 0.00 H new ATOM 0 HA ILE A 45 1.037 4.778 1.372 1.00 0.00 H new ATOM 0 HB ILE A 45 1.443 2.970 3.786 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.417 2.686 1.404 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.173 1.953 1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.950 3.317 4.255 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.027 4.832 4.393 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.027 4.527 2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.564 0.345 2.095 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.501 0.673 3.482 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.114 1.418 3.404 1.00 0.00 H new ATOM 626 N GLU A 46 1.265 6.771 2.836 1.00 0.00 N ATOM 627 CA GLU A 46 1.448 7.985 3.624 1.00 0.00 C ATOM 628 C GLU A 46 0.125 8.446 4.228 1.00 0.00 C ATOM 629 O GLU A 46 -0.685 9.086 3.560 1.00 0.00 O ATOM 630 CB GLU A 46 2.040 9.098 2.756 1.00 0.00 C ATOM 631 CG GLU A 46 3.559 9.139 2.772 1.00 0.00 C ATOM 632 CD GLU A 46 4.112 9.799 4.020 1.00 0.00 C ATOM 633 OE1 GLU A 46 3.442 9.736 5.071 1.00 0.00 O ATOM 634 OE2 GLU A 46 5.216 10.378 3.944 1.00 0.00 O ATOM 0 H GLU A 46 0.619 6.869 2.053 1.00 0.00 H new ATOM 0 HA GLU A 46 2.139 7.760 4.436 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.699 8.967 1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.655 10.058 3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.947 8.123 2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.913 9.678 1.893 1.00 0.00 H new ATOM 641 N MET A 47 -0.086 8.114 5.498 1.00 0.00 N ATOM 642 CA MET A 47 -1.310 8.494 6.193 1.00 0.00 C ATOM 643 C MET A 47 -1.583 9.987 6.038 1.00 0.00 C ATOM 644 O MET A 47 -0.970 10.813 6.715 1.00 0.00 O ATOM 645 CB MET A 47 -1.212 8.134 7.677 1.00 0.00 C ATOM 646 CG MET A 47 -1.090 6.640 7.933 1.00 0.00 C ATOM 647 SD MET A 47 -1.481 6.193 9.635 1.00 0.00 S ATOM 648 CE MET A 47 -1.527 4.407 9.514 1.00 0.00 C ATOM 0 H MET A 47 0.574 7.583 6.066 1.00 0.00 H new ATOM 0 HA MET A 47 -2.137 7.943 5.746 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.349 8.640 8.109 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.094 8.512 8.193 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.757 6.104 7.258 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.075 6.317 7.701 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.758 3.982 10.491 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.294 4.110 8.798 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.557 4.040 9.179 1.00 0.00 H new ATOM 658 N ILE A 48 -2.504 10.325 5.142 1.00 0.00 N ATOM 659 CA ILE A 48 -2.857 11.718 4.899 1.00 0.00 C ATOM 660 C ILE A 48 -3.875 12.214 5.921 1.00 0.00 C ATOM 661 O ILE A 48 -3.606 13.146 6.679 1.00 0.00 O ATOM 662 CB ILE A 48 -3.430 11.915 3.483 1.00 0.00 C ATOM 663 CG1 ILE A 48 -2.398 11.505 2.430 1.00 0.00 C ATOM 664 CG2 ILE A 48 -3.855 13.362 3.280 1.00 0.00 C ATOM 665 CD1 ILE A 48 -1.108 12.290 2.511 1.00 0.00 C ATOM 0 H ILE A 48 -3.019 9.654 4.573 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.939 12.297 4.994 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.308 11.279 3.371 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.176 10.444 2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.831 11.635 1.438 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.258 13.485 2.275 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.620 13.623 4.012 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.992 14.016 3.408 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.424 11.946 1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.317 13.350 2.367 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.652 12.140 3.490 1.00 0.00 H new ATOM 677 N ASP A 49 -5.044 11.583 5.936 1.00 0.00 N ATOM 678 CA ASP A 49 -6.103 11.957 6.867 1.00 0.00 C ATOM 679 C ASP A 49 -6.595 10.742 7.647 1.00 0.00 C ATOM 680 O ASP A 49 -6.040 9.649 7.528 1.00 0.00 O ATOM 681 CB ASP A 49 -7.268 12.602 6.115 1.00 0.00 C ATOM 682 CG ASP A 49 -8.024 13.602 6.967 1.00 0.00 C ATOM 683 OD1 ASP A 49 -7.382 14.527 7.506 1.00 0.00 O ATOM 684 OD2 ASP A 49 -9.258 13.459 7.096 1.00 0.00 O ATOM 0 H ASP A 49 -5.282 10.810 5.314 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.693 12.678 7.574 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.889 13.102 5.224 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.954 11.825 5.778 1.00 0.00 H new ATOM 689 N ASP A 50 -7.638 10.941 8.446 1.00 0.00 N ATOM 690 CA ASP A 50 -8.205 9.861 9.246 1.00 0.00 C ATOM 691 C ASP A 50 -9.191 9.036 8.424 1.00 0.00 C ATOM 692 O ASP A 50 -10.161 8.499 8.957 1.00 0.00 O ATOM 693 CB ASP A 50 -8.902 10.428 10.484 1.00 0.00 C ATOM 694 CG ASP A 50 -7.925 10.768 11.593 1.00 0.00 C ATOM 695 OD1 ASP A 50 -6.869 10.106 11.678 1.00 0.00 O ATOM 696 OD2 ASP A 50 -8.217 11.696 12.375 1.00 0.00 O ATOM 0 H ASP A 50 -8.108 11.840 8.557 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.391 9.210 9.563 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.458 11.323 10.206 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.628 9.703 10.853 1.00 0.00 H new ATOM 701 N GLY A 51 -8.935 8.941 7.123 1.00 0.00 N ATOM 702 CA GLY A 51 -9.810 8.181 6.249 1.00 0.00 C ATOM 703 C GLY A 51 -9.165 7.868 4.913 1.00 0.00 C ATOM 704 O GLY A 51 -9.177 6.722 4.464 1.00 0.00 O ATOM 0 H GLY A 51 -8.138 9.376 6.659 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.090 7.250 6.741 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.729 8.743 6.083 1.00 0.00 H new ATOM 708 N TRP A 52 -8.602 8.889 4.277 1.00 0.00 N ATOM 709 CA TRP A 52 -7.951 8.717 2.983 1.00 0.00 C ATOM 710 C TRP A 52 -6.434 8.753 3.128 1.00 0.00 C ATOM 711 O TRP A 52 -5.895 9.542 3.904 1.00 0.00 O ATOM 712 CB TRP A 52 -8.409 9.804 2.010 1.00 0.00 C ATOM 713 CG TRP A 52 -9.867 9.724 1.673 1.00 0.00 C ATOM 714 CD1 TRP A 52 -10.916 10.009 2.500 1.00 0.00 C ATOM 715 CD2 TRP A 52 -10.437 9.332 0.420 1.00 0.00 C ATOM 716 NE1 TRP A 52 -12.104 9.817 1.837 1.00 0.00 N ATOM 717 CE2 TRP A 52 -11.838 9.403 0.558 1.00 0.00 C ATOM 718 CE3 TRP A 52 -9.902 8.930 -0.807 1.00 0.00 C ATOM 719 CZ2 TRP A 52 -12.705 9.085 -0.483 1.00 0.00 C ATOM 720 CZ3 TRP A 52 -10.764 8.615 -1.839 1.00 0.00 C ATOM 721 CH2 TRP A 52 -12.153 8.694 -1.673 1.00 0.00 C ATOM 0 H TRP A 52 -8.583 9.844 4.636 1.00 0.00 H new ATOM 0 HA TRP A 52 -8.236 7.742 2.587 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -8.197 10.782 2.443 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.827 9.728 1.092 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -10.825 10.337 3.525 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -13.033 9.960 2.233 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.833 8.867 -0.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -13.776 9.145 -0.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.360 8.302 -2.791 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -12.800 8.442 -2.500 1.00 0.00 H new ATOM 732 N TRP A 53 -5.751 7.897 2.377 1.00 0.00 N ATOM 733 CA TRP A 53 -4.295 7.832 2.422 1.00 0.00 C ATOM 734 C TRP A 53 -3.703 7.884 1.018 1.00 0.00 C ATOM 735 O TRP A 53 -4.389 7.603 0.035 1.00 0.00 O ATOM 736 CB TRP A 53 -3.842 6.556 3.133 1.00 0.00 C ATOM 737 CG TRP A 53 -4.341 6.452 4.543 1.00 0.00 C ATOM 738 CD1 TRP A 53 -4.569 7.483 5.409 1.00 0.00 C ATOM 739 CD2 TRP A 53 -4.671 5.251 5.249 1.00 0.00 C ATOM 740 NE1 TRP A 53 -5.021 6.995 6.612 1.00 0.00 N ATOM 741 CE2 TRP A 53 -5.093 5.629 6.539 1.00 0.00 C ATOM 742 CE3 TRP A 53 -4.653 3.894 4.917 1.00 0.00 C ATOM 743 CZ2 TRP A 53 -5.491 4.698 7.494 1.00 0.00 C ATOM 744 CZ3 TRP A 53 -5.048 2.971 5.867 1.00 0.00 C ATOM 745 CH2 TRP A 53 -5.463 3.376 7.142 1.00 0.00 C ATOM 0 H TRP A 53 -6.182 7.238 1.729 1.00 0.00 H new ATOM 0 HA TRP A 53 -3.936 8.697 2.979 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.189 5.691 2.568 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -2.753 6.518 3.137 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -4.417 8.528 5.182 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.263 7.559 7.427 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.336 3.572 3.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.811 5.008 8.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.036 1.919 5.622 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.767 2.630 7.862 1.00 0.00 H new ATOM 756 N ARG A 54 -2.427 8.244 0.931 1.00 0.00 N ATOM 757 CA ARG A 54 -1.744 8.333 -0.354 1.00 0.00 C ATOM 758 C ARG A 54 -0.574 7.355 -0.417 1.00 0.00 C ATOM 759 O ARG A 54 0.337 7.408 0.407 1.00 0.00 O ATOM 760 CB ARG A 54 -1.244 9.759 -0.592 1.00 0.00 C ATOM 761 CG ARG A 54 -2.296 10.682 -1.185 1.00 0.00 C ATOM 762 CD ARG A 54 -1.673 11.953 -1.739 1.00 0.00 C ATOM 763 NE ARG A 54 -1.517 12.980 -0.712 1.00 0.00 N ATOM 764 CZ ARG A 54 -0.993 14.178 -0.944 1.00 0.00 C ATOM 765 NH1 ARG A 54 -0.576 14.499 -2.161 1.00 0.00 N ATOM 766 NH2 ARG A 54 -0.884 15.058 0.043 1.00 0.00 N ATOM 0 H ARG A 54 -1.845 8.479 1.735 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.457 8.070 -1.135 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.898 10.176 0.354 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.383 9.726 -1.260 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.832 10.162 -1.979 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.029 10.938 -0.420 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.699 11.721 -2.170 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.295 12.339 -2.546 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.828 12.765 0.235 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.657 13.825 -2.922 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.174 15.420 -2.336 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.203 14.815 0.981 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.481 15.978 -0.136 1.00 0.00 H new ATOM 780 N GLY A 55 -0.608 6.462 -1.401 1.00 0.00 N ATOM 781 CA GLY A 55 0.454 5.484 -1.553 1.00 0.00 C ATOM 782 C GLY A 55 0.745 5.166 -3.006 1.00 0.00 C ATOM 783 O GLY A 55 -0.023 5.533 -3.896 1.00 0.00 O ATOM 0 H GLY A 55 -1.352 6.398 -2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.360 5.859 -1.078 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.177 4.567 -1.032 1.00 0.00 H new ATOM 787 N VAL A 56 1.858 4.481 -3.249 1.00 0.00 N ATOM 788 CA VAL A 56 2.249 4.113 -4.604 1.00 0.00 C ATOM 789 C VAL A 56 1.766 2.710 -4.954 1.00 0.00 C ATOM 790 O VAL A 56 2.330 1.716 -4.495 1.00 0.00 O ATOM 791 CB VAL A 56 3.778 4.177 -4.784 1.00 0.00 C ATOM 792 CG1 VAL A 56 4.164 3.804 -6.207 1.00 0.00 C ATOM 793 CG2 VAL A 56 4.298 5.561 -4.427 1.00 0.00 C ATOM 0 H VAL A 56 2.505 4.170 -2.524 1.00 0.00 H new ATOM 0 HA VAL A 56 1.781 4.833 -5.275 1.00 0.00 H new ATOM 0 HB VAL A 56 4.237 3.456 -4.108 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.247 3.855 -6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.825 2.791 -6.422 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.697 4.499 -6.905 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.380 5.589 -4.560 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.834 6.303 -5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.054 5.785 -3.388 1.00 0.00 H new ATOM 803 N CYS A 57 0.720 2.637 -5.770 1.00 0.00 N ATOM 804 CA CYS A 57 0.160 1.355 -6.182 1.00 0.00 C ATOM 805 C CYS A 57 0.305 1.157 -7.687 1.00 0.00 C ATOM 806 O CYS A 57 -0.073 2.021 -8.478 1.00 0.00 O ATOM 807 CB CYS A 57 -1.314 1.267 -5.784 1.00 0.00 C ATOM 808 SG CYS A 57 -2.452 1.962 -7.006 1.00 0.00 S ATOM 0 H CYS A 57 0.243 3.450 -6.159 1.00 0.00 H new ATOM 0 HA CYS A 57 0.714 0.565 -5.675 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.572 0.221 -5.616 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.455 1.786 -4.836 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.797 2.258 -8.089 1.00 0.00 H new ATOM 814 N LYS A 58 0.857 0.012 -8.077 1.00 0.00 N ATOM 815 CA LYS A 58 1.054 -0.301 -9.487 1.00 0.00 C ATOM 816 C LYS A 58 1.674 0.881 -10.226 1.00 0.00 C ATOM 817 O LYS A 58 1.396 1.104 -11.404 1.00 0.00 O ATOM 818 CB LYS A 58 -0.279 -0.681 -10.137 1.00 0.00 C ATOM 819 CG LYS A 58 -0.873 -1.970 -9.598 1.00 0.00 C ATOM 820 CD LYS A 58 -2.313 -2.152 -10.048 1.00 0.00 C ATOM 821 CE LYS A 58 -3.126 -2.919 -9.018 1.00 0.00 C ATOM 822 NZ LYS A 58 -3.091 -4.387 -9.264 1.00 0.00 N ATOM 0 H LYS A 58 1.176 -0.714 -7.436 1.00 0.00 H new ATOM 0 HA LYS A 58 1.738 -1.147 -9.554 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.992 0.129 -9.985 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.134 -0.780 -11.213 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.275 -2.816 -9.937 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.829 -1.964 -8.509 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.768 -1.176 -10.219 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.334 -2.684 -10.999 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.740 -2.709 -8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.159 -2.572 -9.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.762 -4.862 -8.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.355 -4.580 -10.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.131 -4.746 -9.086 1.00 0.00 H new ATOM 836 N GLY A 59 2.516 1.635 -9.526 1.00 0.00 N ATOM 837 CA GLY A 59 3.162 2.784 -10.132 1.00 0.00 C ATOM 838 C GLY A 59 2.244 3.987 -10.219 1.00 0.00 C ATOM 839 O GLY A 59 2.226 4.690 -11.230 1.00 0.00 O ATOM 0 H GLY A 59 2.762 1.470 -8.550 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.047 3.047 -9.552 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.504 2.519 -11.132 1.00 0.00 H new ATOM 843 N ARG A 60 1.479 4.224 -9.159 1.00 0.00 N ATOM 844 CA ARG A 60 0.553 5.349 -9.121 1.00 0.00 C ATOM 845 C ARG A 60 0.390 5.872 -7.697 1.00 0.00 C ATOM 846 O ARG A 60 0.086 5.112 -6.777 1.00 0.00 O ATOM 847 CB ARG A 60 -0.809 4.934 -9.682 1.00 0.00 C ATOM 848 CG ARG A 60 -0.938 5.141 -11.182 1.00 0.00 C ATOM 849 CD ARG A 60 -2.389 5.334 -11.595 1.00 0.00 C ATOM 850 NE ARG A 60 -2.643 4.847 -12.948 1.00 0.00 N ATOM 851 CZ ARG A 60 -3.859 4.724 -13.469 1.00 0.00 C ATOM 852 NH1 ARG A 60 -4.926 5.051 -12.753 1.00 0.00 N ATOM 853 NH2 ARG A 60 -4.009 4.273 -14.708 1.00 0.00 N ATOM 0 H ARG A 60 1.482 3.652 -8.315 1.00 0.00 H new ATOM 0 HA ARG A 60 0.965 6.148 -9.738 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.982 3.883 -9.453 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.589 5.503 -9.177 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.354 6.011 -11.482 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.521 4.281 -11.706 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.038 4.810 -10.893 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.645 6.392 -11.537 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.843 4.587 -13.525 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.814 5.398 -11.800 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.859 4.956 -13.155 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.190 4.020 -15.261 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.943 4.179 -15.107 1.00 0.00 H new ATOM 867 N TYR A 61 0.595 7.172 -7.523 1.00 0.00 N ATOM 868 CA TYR A 61 0.474 7.797 -6.211 1.00 0.00 C ATOM 869 C TYR A 61 -0.673 8.801 -6.189 1.00 0.00 C ATOM 870 O TYR A 61 -0.601 9.858 -6.816 1.00 0.00 O ATOM 871 CB TYR A 61 1.783 8.492 -5.831 1.00 0.00 C ATOM 872 CG TYR A 61 1.689 9.307 -4.561 1.00 0.00 C ATOM 873 CD1 TYR A 61 1.891 8.719 -3.319 1.00 0.00 C ATOM 874 CD2 TYR A 61 1.400 10.665 -4.603 1.00 0.00 C ATOM 875 CE1 TYR A 61 1.806 9.459 -2.155 1.00 0.00 C ATOM 876 CE2 TYR A 61 1.314 11.414 -3.445 1.00 0.00 C ATOM 877 CZ TYR A 61 1.517 10.806 -2.224 1.00 0.00 C ATOM 878 OH TYR A 61 1.433 11.547 -1.068 1.00 0.00 O ATOM 0 H TYR A 61 0.846 7.815 -8.274 1.00 0.00 H new ATOM 0 HA TYR A 61 0.261 7.015 -5.483 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.563 7.740 -5.713 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.089 9.144 -6.649 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.119 7.665 -3.262 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.240 11.144 -5.558 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.965 8.986 -1.197 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.089 12.469 -3.496 1.00 0.00 H new ATOM 0 HH TYR A 61 1.223 12.478 -1.291 1.00 0.00 H new ATOM 888 N GLY A 62 -1.734 8.463 -5.461 1.00 0.00 N ATOM 889 CA GLY A 62 -2.883 9.345 -5.370 1.00 0.00 C ATOM 890 C GLY A 62 -3.688 9.119 -4.105 1.00 0.00 C ATOM 891 O GLY A 62 -3.300 8.325 -3.247 1.00 0.00 O ATOM 0 H GLY A 62 -1.818 7.594 -4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.546 10.381 -5.402 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.525 9.192 -6.238 1.00 0.00 H new ATOM 895 N LEU A 63 -4.811 9.819 -3.988 1.00 0.00 N ATOM 896 CA LEU A 63 -5.673 9.692 -2.818 1.00 0.00 C ATOM 897 C LEU A 63 -6.551 8.449 -2.921 1.00 0.00 C ATOM 898 O LEU A 63 -7.113 8.158 -3.978 1.00 0.00 O ATOM 899 CB LEU A 63 -6.548 10.937 -2.668 1.00 0.00 C ATOM 900 CG LEU A 63 -5.929 12.104 -1.897 1.00 0.00 C ATOM 901 CD1 LEU A 63 -6.478 13.429 -2.402 1.00 0.00 C ATOM 902 CD2 LEU A 63 -6.184 11.952 -0.405 1.00 0.00 C ATOM 0 H LEU A 63 -5.146 10.480 -4.689 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.038 9.593 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.819 11.288 -3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.473 10.648 -2.169 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.852 12.094 -2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.026 14.247 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.243 13.541 -3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.559 13.450 -2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.737 12.791 0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.258 11.935 -0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.740 11.021 -0.053 1.00 0.00 H new ATOM 914 N PHE A 64 -6.667 7.719 -1.816 1.00 0.00 N ATOM 915 CA PHE A 64 -7.478 6.508 -1.782 1.00 0.00 C ATOM 916 C PHE A 64 -8.053 6.278 -0.387 1.00 0.00 C ATOM 917 O PHE A 64 -7.416 6.556 0.629 1.00 0.00 O ATOM 918 CB PHE A 64 -6.643 5.298 -2.207 1.00 0.00 C ATOM 919 CG PHE A 64 -5.617 4.890 -1.189 1.00 0.00 C ATOM 920 CD1 PHE A 64 -5.965 4.081 -0.120 1.00 0.00 C ATOM 921 CD2 PHE A 64 -4.303 5.316 -1.302 1.00 0.00 C ATOM 922 CE1 PHE A 64 -5.023 3.705 0.819 1.00 0.00 C ATOM 923 CE2 PHE A 64 -3.356 4.943 -0.367 1.00 0.00 C ATOM 924 CZ PHE A 64 -3.716 4.135 0.694 1.00 0.00 C ATOM 0 H PHE A 64 -6.210 7.945 -0.933 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.305 6.634 -2.481 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.309 4.456 -2.398 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.140 5.526 -3.147 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.985 3.740 -0.019 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.016 5.947 -2.130 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.308 3.076 1.649 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.336 5.283 -0.466 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.977 3.840 1.424 1.00 0.00 H new ATOM 934 N PRO A 65 -9.289 5.759 -0.336 1.00 0.00 N ATOM 935 CA PRO A 65 -9.978 5.481 0.928 1.00 0.00 C ATOM 936 C PRO A 65 -9.351 4.316 1.686 1.00 0.00 C ATOM 937 O PRO A 65 -8.992 3.299 1.093 1.00 0.00 O ATOM 938 CB PRO A 65 -11.400 5.127 0.485 1.00 0.00 C ATOM 939 CG PRO A 65 -11.250 4.628 -0.910 1.00 0.00 C ATOM 940 CD PRO A 65 -10.108 5.403 -1.507 1.00 0.00 C ATOM 0 HA PRO A 65 -9.928 6.326 1.614 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.838 4.367 1.132 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.055 5.997 0.526 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.043 3.558 -0.921 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.166 4.782 -1.480 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.546 4.803 -2.223 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.457 6.289 -2.038 1.00 0.00 H new ATOM 948 N ALA A 66 -9.223 4.471 2.999 1.00 0.00 N ATOM 949 CA ALA A 66 -8.642 3.431 3.839 1.00 0.00 C ATOM 950 C ALA A 66 -9.668 2.352 4.166 1.00 0.00 C ATOM 951 O ALA A 66 -9.351 1.358 4.818 1.00 0.00 O ATOM 952 CB ALA A 66 -8.083 4.036 5.118 1.00 0.00 C ATOM 0 H ALA A 66 -9.514 5.308 3.505 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.827 2.964 3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.652 3.248 5.735 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.311 4.764 4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.884 4.530 5.667 1.00 0.00 H new ATOM 958 N ASN A 67 -10.900 2.555 3.709 1.00 0.00 N ATOM 959 CA ASN A 67 -11.973 1.599 3.954 1.00 0.00 C ATOM 960 C ASN A 67 -11.885 0.421 2.988 1.00 0.00 C ATOM 961 O ASN A 67 -12.141 -0.723 3.363 1.00 0.00 O ATOM 962 CB ASN A 67 -13.335 2.284 3.818 1.00 0.00 C ATOM 963 CG ASN A 67 -13.349 3.670 4.432 1.00 0.00 C ATOM 964 OD1 ASN A 67 -12.554 3.976 5.321 1.00 0.00 O ATOM 965 ND2 ASN A 67 -14.255 4.518 3.958 1.00 0.00 N ATOM 0 H ASN A 67 -11.179 3.373 3.167 1.00 0.00 H new ATOM 0 HA ASN A 67 -11.863 1.221 4.970 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.599 2.354 2.763 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -14.097 1.670 4.297 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -14.311 5.465 4.332 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.894 4.222 3.220 1.00 0.00 H new ATOM 972 N TYR A 68 -11.520 0.710 1.744 1.00 0.00 N ATOM 973 CA TYR A 68 -11.399 -0.324 0.723 1.00 0.00 C ATOM 974 C TYR A 68 -10.048 -1.027 0.817 1.00 0.00 C ATOM 975 O TYR A 68 -9.645 -1.746 -0.097 1.00 0.00 O ATOM 976 CB TYR A 68 -11.576 0.282 -0.670 1.00 0.00 C ATOM 977 CG TYR A 68 -13.010 0.623 -1.005 1.00 0.00 C ATOM 978 CD1 TYR A 68 -13.658 1.680 -0.377 1.00 0.00 C ATOM 979 CD2 TYR A 68 -13.718 -0.112 -1.947 1.00 0.00 C ATOM 980 CE1 TYR A 68 -14.969 1.995 -0.679 1.00 0.00 C ATOM 981 CE2 TYR A 68 -15.029 0.196 -2.257 1.00 0.00 C ATOM 982 CZ TYR A 68 -15.650 1.251 -1.620 1.00 0.00 C ATOM 983 OH TYR A 68 -16.955 1.560 -1.924 1.00 0.00 O ATOM 0 H TYR A 68 -11.303 1.652 1.418 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.184 -1.061 0.893 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.970 1.185 -0.744 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -11.195 -0.419 -1.413 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -13.128 2.265 0.360 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -13.235 -0.939 -2.446 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -15.458 2.819 -0.181 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -15.564 -0.385 -2.993 1.00 0.00 H new ATOM 0 HH TYR A 68 -17.287 0.940 -2.607 1.00 0.00 H new ATOM 993 N VAL A 69 -9.354 -0.813 1.930 1.00 0.00 N ATOM 994 CA VAL A 69 -8.049 -1.427 2.146 1.00 0.00 C ATOM 995 C VAL A 69 -7.803 -1.688 3.628 1.00 0.00 C ATOM 996 O VAL A 69 -8.452 -1.094 4.489 1.00 0.00 O ATOM 997 CB VAL A 69 -6.915 -0.541 1.597 1.00 0.00 C ATOM 998 CG1 VAL A 69 -7.238 -0.073 0.187 1.00 0.00 C ATOM 999 CG2 VAL A 69 -6.671 0.644 2.519 1.00 0.00 C ATOM 0 H VAL A 69 -9.673 -0.220 2.696 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.052 -2.375 1.609 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.001 -1.134 1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.425 0.552 -0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.358 -0.938 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.163 0.504 0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.867 1.259 2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.581 1.240 2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.391 0.283 3.509 1.00 0.00 H new ATOM 1009 N GLU A 70 -6.861 -2.580 3.918 1.00 0.00 N ATOM 1010 CA GLU A 70 -6.530 -2.919 5.297 1.00 0.00 C ATOM 1011 C GLU A 70 -5.026 -2.816 5.537 1.00 0.00 C ATOM 1012 O GLU A 70 -4.223 -3.225 4.697 1.00 0.00 O ATOM 1013 CB GLU A 70 -7.015 -4.332 5.628 1.00 0.00 C ATOM 1014 CG GLU A 70 -6.815 -4.719 7.084 1.00 0.00 C ATOM 1015 CD GLU A 70 -6.899 -6.217 7.307 1.00 0.00 C ATOM 1016 OE1 GLU A 70 -8.029 -6.742 7.389 1.00 0.00 O ATOM 1017 OE2 GLU A 70 -5.834 -6.863 7.399 1.00 0.00 O ATOM 0 H GLU A 70 -6.314 -3.080 3.217 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.034 -2.207 5.950 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.074 -4.410 5.382 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.487 -5.046 4.995 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.843 -4.359 7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.568 -4.222 7.695 1.00 0.00 H new ATOM 1024 N LEU A 71 -4.653 -2.268 6.687 1.00 0.00 N ATOM 1025 CA LEU A 71 -3.246 -2.110 7.039 1.00 0.00 C ATOM 1026 C LEU A 71 -2.637 -3.443 7.461 1.00 0.00 C ATOM 1027 O LEU A 71 -3.126 -4.095 8.384 1.00 0.00 O ATOM 1028 CB LEU A 71 -3.093 -1.087 8.166 1.00 0.00 C ATOM 1029 CG LEU A 71 -3.439 0.360 7.811 1.00 0.00 C ATOM 1030 CD1 LEU A 71 -3.601 1.195 9.071 1.00 0.00 C ATOM 1031 CD2 LEU A 71 -2.370 0.957 6.907 1.00 0.00 C ATOM 0 H LEU A 71 -5.305 -1.925 7.393 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.715 -1.752 6.157 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.724 -1.397 8.999 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.062 -1.117 8.519 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.387 0.365 7.273 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.847 2.221 8.798 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.403 0.780 9.682 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.670 1.183 9.637 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.632 1.987 6.664 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.408 0.939 7.420 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.303 0.374 5.989 1.00 0.00 H new ATOM 1043 N ARG A 72 -1.567 -3.841 6.780 1.00 0.00 N ATOM 1044 CA ARG A 72 -0.891 -5.096 7.086 1.00 0.00 C ATOM 1045 C ARG A 72 0.066 -4.926 8.262 1.00 0.00 C ATOM 1046 O ARG A 72 0.698 -3.881 8.413 1.00 0.00 O ATOM 1047 CB ARG A 72 -0.126 -5.599 5.860 1.00 0.00 C ATOM 1048 CG ARG A 72 -1.023 -5.956 4.686 1.00 0.00 C ATOM 1049 CD ARG A 72 -0.296 -6.830 3.676 1.00 0.00 C ATOM 1050 NE ARG A 72 -0.329 -8.241 4.050 1.00 0.00 N ATOM 1051 CZ ARG A 72 0.252 -9.203 3.342 1.00 0.00 C ATOM 1052 NH1 ARG A 72 0.908 -8.907 2.228 1.00 0.00 N ATOM 1053 NH2 ARG A 72 0.178 -10.465 3.747 1.00 0.00 N ATOM 0 H ARG A 72 -1.150 -3.313 6.013 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.648 -5.830 7.360 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.583 -4.833 5.545 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.457 -6.476 6.141 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.909 -6.477 5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.367 -5.044 4.199 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.751 -6.705 2.694 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.740 -6.501 3.591 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.826 -8.502 4.902 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.967 -7.939 1.913 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.353 -9.648 1.686 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.326 -10.697 4.603 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.625 -11.203 3.202 1.00 0.00 H new ATOM 1067 N GLN A 73 0.166 -5.960 9.091 1.00 0.00 N ATOM 1068 CA GLN A 73 1.045 -5.924 10.254 1.00 0.00 C ATOM 1069 C GLN A 73 2.397 -6.553 9.934 1.00 0.00 C ATOM 1070 O GLN A 73 2.693 -7.666 10.369 1.00 0.00 O ATOM 1071 CB GLN A 73 0.396 -6.652 11.433 1.00 0.00 C ATOM 1072 CG GLN A 73 -0.586 -5.793 12.212 1.00 0.00 C ATOM 1073 CD GLN A 73 0.104 -4.847 13.176 1.00 0.00 C ATOM 1074 OE1 GLN A 73 0.748 -5.277 14.132 1.00 0.00 O ATOM 1075 NE2 GLN A 73 -0.029 -3.549 12.927 1.00 0.00 N ATOM 0 H GLN A 73 -0.350 -6.832 8.979 1.00 0.00 H new ATOM 0 HA GLN A 73 1.206 -4.880 10.525 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.122 -7.536 11.062 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.177 -7.000 12.109 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.192 -5.216 11.513 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.267 -6.438 12.767 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.573 -3.237 12.122 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.412 -2.864 13.541 1.00 0.00 H new ATOM 1084 N SER A 74 3.214 -5.833 9.172 1.00 0.00 N ATOM 1085 CA SER A 74 4.533 -6.322 8.790 1.00 0.00 C ATOM 1086 C SER A 74 5.428 -6.485 10.016 1.00 0.00 C ATOM 1087 O SER A 74 5.239 -5.814 11.030 1.00 0.00 O ATOM 1088 CB SER A 74 5.187 -5.365 7.792 1.00 0.00 C ATOM 1089 OG SER A 74 5.624 -4.179 8.434 1.00 0.00 O ATOM 0 H SER A 74 2.985 -4.908 8.807 1.00 0.00 H new ATOM 0 HA SER A 74 4.409 -7.297 8.319 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.034 -5.857 7.314 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.477 -5.115 7.004 1.00 0.00 H new ATOM 0 HG SER A 74 6.040 -3.585 7.775 1.00 0.00 H new ATOM 1095 N GLY A 75 6.403 -7.383 9.914 1.00 0.00 N ATOM 1096 CA GLY A 75 7.312 -7.620 11.020 1.00 0.00 C ATOM 1097 C GLY A 75 7.929 -6.339 11.548 1.00 0.00 C ATOM 1098 O GLY A 75 7.405 -5.705 12.464 1.00 0.00 O ATOM 0 H GLY A 75 6.580 -7.951 9.085 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.776 -8.121 11.826 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.104 -8.295 10.697 1.00 0.00 H new ATOM 1102 N PRO A 76 9.069 -5.943 10.964 1.00 0.00 N ATOM 1103 CA PRO A 76 9.783 -4.727 11.366 1.00 0.00 C ATOM 1104 C PRO A 76 9.029 -3.458 10.980 1.00 0.00 C ATOM 1105 O PRO A 76 9.126 -2.988 9.847 1.00 0.00 O ATOM 1106 CB PRO A 76 11.103 -4.820 10.596 1.00 0.00 C ATOM 1107 CG PRO A 76 10.791 -5.666 9.410 1.00 0.00 C ATOM 1108 CD PRO A 76 9.750 -6.650 9.866 1.00 0.00 C ATOM 0 HA PRO A 76 9.908 -4.666 12.447 1.00 0.00 H new ATOM 0 HB2 PRO A 76 11.457 -3.834 10.296 1.00 0.00 H new ATOM 0 HB3 PRO A 76 11.887 -5.268 11.207 1.00 0.00 H new ATOM 0 HG2 PRO A 76 10.419 -5.059 8.585 1.00 0.00 H new ATOM 0 HG3 PRO A 76 11.683 -6.180 9.051 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.059 -6.905 9.063 1.00 0.00 H new ATOM 0 HD3 PRO A 76 10.200 -7.582 10.207 1.00 0.00 H new ATOM 1116 N SER A 77 8.280 -2.909 11.930 1.00 0.00 N ATOM 1117 CA SER A 77 7.507 -1.696 11.689 1.00 0.00 C ATOM 1118 C SER A 77 8.306 -0.456 12.080 1.00 0.00 C ATOM 1119 O SER A 77 7.834 0.383 12.847 1.00 0.00 O ATOM 1120 CB SER A 77 6.193 -1.738 12.472 1.00 0.00 C ATOM 1121 OG SER A 77 6.433 -1.823 13.866 1.00 0.00 O ATOM 0 H SER A 77 8.192 -3.285 12.874 1.00 0.00 H new ATOM 0 HA SER A 77 7.284 -1.643 10.623 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.608 -0.845 12.254 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.601 -2.594 12.149 1.00 0.00 H new ATOM 0 HG SER A 77 6.894 -1.013 14.169 1.00 0.00 H new ATOM 1127 N SER A 78 9.519 -0.349 11.548 1.00 0.00 N ATOM 1128 CA SER A 78 10.386 0.786 11.843 1.00 0.00 C ATOM 1129 C SER A 78 10.182 1.905 10.827 1.00 0.00 C ATOM 1130 O SER A 78 11.137 2.394 10.225 1.00 0.00 O ATOM 1131 CB SER A 78 11.851 0.347 11.848 1.00 0.00 C ATOM 1132 OG SER A 78 12.644 1.226 12.627 1.00 0.00 O ATOM 0 H SER A 78 9.924 -1.034 10.910 1.00 0.00 H new ATOM 0 HA SER A 78 10.124 1.165 12.831 1.00 0.00 H new ATOM 0 HB2 SER A 78 11.929 -0.666 12.244 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.229 0.320 10.826 1.00 0.00 H new ATOM 0 HG SER A 78 13.576 0.923 12.616 1.00 0.00 H new ATOM 1138 N GLY A 79 8.927 2.306 10.641 1.00 0.00 N ATOM 1139 CA GLY A 79 8.619 3.364 9.697 1.00 0.00 C ATOM 1140 C GLY A 79 7.615 2.930 8.647 1.00 0.00 C ATOM 1141 O GLY A 79 7.904 2.965 7.451 1.00 0.00 O ATOM 0 H GLY A 79 8.119 1.917 11.127 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.226 4.225 10.237 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.537 3.687 9.206 1.00 0.00 H new TER 1145 GLY A 79