USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 682 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 43 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Set 1.2: A 89 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 33 HIS : no HD1:sc= -4.68 K(o=-7.7,f=-15!) USER MOD Set 2.2: A 34 ASN : amide:sc= -3.01 K(o=-7.7,f=-11!) USER MOD Set 3.1: A 8 SER OG : rot 180:sc= 0.291 USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -171:sc= -0.722 (180deg=-0.851) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.01 X(o=-1,f=-1.1) USER MOD Single : A 40 TYR OH : rot 180:sc=-0.000267 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.328 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -3.21! C(o=-3.2!,f=-2.5!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -0.579 K(o=-0.58,f=0) USER MOD Single : A 106 ASN : amide:sc= -2.34 K(o=-2.3,f=-0.82) USER MOD Single : A 109 SER OG : rot -133:sc= 0.341 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 32 N LEU A 3 7.733 9.107 2.647 1.00 1.00 N ATOM 33 CA LEU A 3 6.418 8.686 3.191 1.00 1.00 C ATOM 34 C LEU A 3 6.199 7.152 2.993 1.00 1.00 C ATOM 35 O LEU A 3 6.748 6.578 2.052 1.00 1.00 O ATOM 36 CB LEU A 3 5.264 9.503 2.495 1.00 1.00 C ATOM 37 CG LEU A 3 4.888 10.791 3.299 1.00 1.00 C ATOM 38 CD1 LEU A 3 6.103 11.737 3.413 1.00 1.00 C ATOM 39 CD2 LEU A 3 3.716 11.520 2.603 1.00 1.00 C ATOM 0 HA LEU A 3 6.402 8.892 4.261 1.00 1.00 H new ATOM 0 HB2 LEU A 3 5.574 9.782 1.488 1.00 1.00 H new ATOM 0 HB3 LEU A 3 4.383 8.870 2.393 1.00 1.00 H new ATOM 0 HG LEU A 3 4.584 10.497 4.304 1.00 1.00 H new ATOM 0 HD11 LEU A 3 5.820 12.627 3.976 1.00 1.00 H new ATOM 0 HD12 LEU A 3 6.916 11.225 3.928 1.00 1.00 H new ATOM 0 HD13 LEU A 3 6.432 12.028 2.416 1.00 1.00 H new ATOM 0 HD21 LEU A 3 3.458 12.416 3.167 1.00 1.00 H new ATOM 0 HD22 LEU A 3 4.011 11.800 1.592 1.00 1.00 H new ATOM 0 HD23 LEU A 3 2.851 10.858 2.558 1.00 1.00 H new ATOM 51 N PRO A 4 5.429 6.520 3.836 1.00 1.00 N ATOM 52 CA PRO A 4 5.160 5.034 3.718 1.00 1.00 C ATOM 53 C PRO A 4 4.325 4.697 2.467 1.00 1.00 C ATOM 54 O PRO A 4 4.360 3.572 1.970 1.00 1.00 O ATOM 55 CB PRO A 4 4.401 4.699 5.043 1.00 1.00 C ATOM 56 CG PRO A 4 3.708 5.988 5.381 1.00 1.00 C ATOM 57 CD PRO A 4 4.707 7.085 5.008 1.00 1.00 C ATOM 0 HA PRO A 4 6.070 4.447 3.596 1.00 1.00 H new ATOM 0 HB2 PRO A 4 3.690 3.885 4.904 1.00 1.00 H new ATOM 0 HB3 PRO A 4 5.087 4.392 5.833 1.00 1.00 H new ATOM 0 HG2 PRO A 4 2.778 6.094 4.822 1.00 1.00 H new ATOM 0 HG3 PRO A 4 3.451 6.032 6.439 1.00 1.00 H new ATOM 0 HD2 PRO A 4 4.202 8.018 4.756 1.00 1.00 H new ATOM 0 HD3 PRO A 4 5.388 7.303 5.831 1.00 1.00 H new ATOM 65 N ILE A 5 3.569 5.677 1.986 1.00 1.00 N ATOM 66 CA ILE A 5 2.707 5.495 0.786 1.00 1.00 C ATOM 67 C ILE A 5 3.050 6.556 -0.283 1.00 1.00 C ATOM 68 O ILE A 5 3.105 7.753 -0.002 1.00 1.00 O ATOM 69 CB ILE A 5 1.203 5.604 1.192 1.00 1.00 C ATOM 70 CG1 ILE A 5 0.889 4.520 2.276 1.00 1.00 C ATOM 71 CG2 ILE A 5 0.283 5.381 -0.052 1.00 1.00 C ATOM 72 CD1 ILE A 5 -0.530 4.698 2.845 1.00 1.00 C ATOM 0 H ILE A 5 3.524 6.610 2.396 1.00 1.00 H new ATOM 0 HA ILE A 5 2.889 4.506 0.365 1.00 1.00 H new ATOM 0 HB ILE A 5 1.012 6.600 1.591 1.00 1.00 H new ATOM 0 HG12 ILE A 5 0.987 3.526 1.839 1.00 1.00 H new ATOM 0 HG13 ILE A 5 1.619 4.587 3.083 1.00 1.00 H new ATOM 0 HG21 ILE A 5 -0.762 5.460 0.249 1.00 1.00 H new ATOM 0 HG22 ILE A 5 0.502 6.137 -0.806 1.00 1.00 H new ATOM 0 HG23 ILE A 5 0.467 4.390 -0.467 1.00 1.00 H new ATOM 0 HD11 ILE A 5 -0.720 3.931 3.596 1.00 1.00 H new ATOM 0 HD12 ILE A 5 -0.617 5.683 3.303 1.00 1.00 H new ATOM 0 HD13 ILE A 5 -1.259 4.606 2.040 1.00 1.00 H new ATOM 84 N THR A 6 3.245 6.091 -1.513 1.00 1.00 N ATOM 85 CA THR A 6 3.563 7.001 -2.654 1.00 1.00 C ATOM 86 C THR A 6 2.718 6.620 -3.875 1.00 1.00 C ATOM 87 O THR A 6 2.755 5.485 -4.351 1.00 1.00 O ATOM 88 CB THR A 6 5.076 6.927 -3.003 1.00 1.00 C ATOM 89 OG1 THR A 6 5.825 7.158 -1.818 1.00 1.00 O ATOM 90 CG2 THR A 6 5.466 8.001 -4.047 1.00 1.00 C ATOM 0 H THR A 6 3.193 5.104 -1.763 1.00 1.00 H new ATOM 0 HA THR A 6 3.326 8.025 -2.363 1.00 1.00 H new ATOM 0 HB THR A 6 5.287 5.943 -3.421 1.00 1.00 H new ATOM 0 HG1 THR A 6 6.782 7.113 -2.022 1.00 1.00 H new ATOM 0 HG21 THR A 6 6.530 7.923 -4.269 1.00 1.00 H new ATOM 0 HG22 THR A 6 4.892 7.846 -4.960 1.00 1.00 H new ATOM 0 HG23 THR A 6 5.251 8.992 -3.647 1.00 1.00 H new ATOM 98 N LEU A 7 1.963 7.592 -4.381 1.00 1.00 N ATOM 99 CA LEU A 7 1.090 7.376 -5.554 1.00 1.00 C ATOM 100 C LEU A 7 1.695 8.029 -6.794 1.00 1.00 C ATOM 101 O LEU A 7 2.360 9.060 -6.697 1.00 1.00 O ATOM 102 CB LEU A 7 -0.319 7.961 -5.266 1.00 1.00 C ATOM 103 CG LEU A 7 -0.894 7.411 -3.887 1.00 1.00 C ATOM 104 CD1 LEU A 7 -0.740 8.470 -2.764 1.00 1.00 C ATOM 105 CD2 LEU A 7 -2.391 7.033 -4.032 1.00 1.00 C ATOM 0 H LEU A 7 1.931 8.539 -4.004 1.00 1.00 H new ATOM 0 HA LEU A 7 1.001 6.306 -5.742 1.00 1.00 H new ATOM 0 HB2 LEU A 7 -0.265 9.049 -5.234 1.00 1.00 H new ATOM 0 HB3 LEU A 7 -0.998 7.699 -6.077 1.00 1.00 H new ATOM 0 HG LEU A 7 -0.322 6.522 -3.620 1.00 1.00 H new ATOM 0 HD11 LEU A 7 -1.140 8.072 -1.831 1.00 1.00 H new ATOM 0 HD12 LEU A 7 0.315 8.711 -2.633 1.00 1.00 H new ATOM 0 HD13 LEU A 7 -1.287 9.372 -3.037 1.00 1.00 H new ATOM 0 HD21 LEU A 7 -2.766 6.659 -3.079 1.00 1.00 H new ATOM 0 HD22 LEU A 7 -2.962 7.914 -4.326 1.00 1.00 H new ATOM 0 HD23 LEU A 7 -2.499 6.260 -4.793 1.00 1.00 H new ATOM 117 N SER A 8 1.459 7.425 -7.955 1.00 1.00 N ATOM 118 CA SER A 8 1.982 7.946 -9.224 1.00 1.00 C ATOM 119 C SER A 8 1.095 9.076 -9.736 1.00 1.00 C ATOM 120 O SER A 8 0.916 9.235 -10.943 1.00 1.00 O ATOM 121 CB SER A 8 2.044 6.811 -10.261 1.00 1.00 C ATOM 122 OG SER A 8 0.732 6.333 -10.529 1.00 1.00 O ATOM 0 H SER A 8 0.908 6.572 -8.048 1.00 1.00 H new ATOM 0 HA SER A 8 2.986 8.339 -9.062 1.00 1.00 H new ATOM 0 HB2 SER A 8 2.505 7.171 -11.181 1.00 1.00 H new ATOM 0 HB3 SER A 8 2.668 5.999 -9.888 1.00 1.00 H new ATOM 0 HG SER A 8 0.776 5.612 -11.191 1.00 1.00 H new ATOM 128 N LYS A 9 0.543 9.855 -8.812 1.00 1.00 N ATOM 129 CA LYS A 9 -0.326 10.989 -9.140 1.00 1.00 C ATOM 130 C LYS A 9 0.500 12.129 -9.765 1.00 1.00 C ATOM 131 O LYS A 9 0.406 13.283 -9.343 1.00 1.00 O ATOM 132 CB LYS A 9 -1.065 11.460 -7.858 1.00 1.00 C ATOM 133 CG LYS A 9 -0.060 11.834 -6.738 1.00 1.00 C ATOM 134 CD LYS A 9 -0.814 12.311 -5.474 1.00 1.00 C ATOM 135 CE LYS A 9 0.192 12.674 -4.367 1.00 1.00 C ATOM 136 NZ LYS A 9 1.016 11.475 -4.042 1.00 1.00 N ATOM 0 H LYS A 9 0.683 9.721 -7.811 1.00 1.00 H new ATOM 0 HA LYS A 9 -1.071 10.681 -9.874 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -1.691 12.321 -8.091 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -1.728 10.670 -7.506 1.00 1.00 H new ATOM 0 HG2 LYS A 9 0.561 10.972 -6.495 1.00 1.00 H new ATOM 0 HG3 LYS A 9 0.609 12.620 -7.088 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -1.432 13.177 -5.714 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -1.486 11.527 -5.124 1.00 1.00 H new ATOM 0 HE2 LYS A 9 0.833 13.492 -4.695 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -0.336 13.019 -3.478 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 1.589 11.667 -3.196 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 0.392 10.663 -3.860 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 1.643 11.257 -4.843 1.00 1.00 H new ATOM 150 N GLU A 10 1.300 11.789 -10.769 1.00 1.00 N ATOM 151 CA GLU A 10 2.157 12.778 -11.444 1.00 1.00 C ATOM 152 C GLU A 10 1.332 13.990 -11.887 1.00 1.00 C ATOM 153 O GLU A 10 1.821 15.118 -11.945 1.00 1.00 O ATOM 154 CB GLU A 10 2.827 12.120 -12.674 1.00 1.00 C ATOM 155 CG GLU A 10 3.721 10.940 -12.234 1.00 1.00 C ATOM 156 CD GLU A 10 4.390 10.285 -13.451 1.00 1.00 C ATOM 157 OE1 GLU A 10 3.710 10.105 -14.447 1.00 1.00 O ATOM 158 OE2 GLU A 10 5.565 9.971 -13.361 1.00 1.00 O ATOM 0 H GLU A 10 1.379 10.842 -11.138 1.00 1.00 H new ATOM 0 HA GLU A 10 2.923 13.118 -10.747 1.00 1.00 H new ATOM 0 HB2 GLU A 10 2.063 11.767 -13.367 1.00 1.00 H new ATOM 0 HB3 GLU A 10 3.425 12.858 -13.208 1.00 1.00 H new ATOM 0 HG2 GLU A 10 4.483 11.294 -11.540 1.00 1.00 H new ATOM 0 HG3 GLU A 10 3.122 10.202 -11.701 1.00 1.00 H new ATOM 165 N THR A 11 0.063 13.735 -12.189 1.00 1.00 N ATOM 166 CA THR A 11 -0.860 14.814 -12.627 1.00 1.00 C ATOM 167 C THR A 11 -2.252 14.676 -11.947 1.00 1.00 C ATOM 168 O THR A 11 -2.744 13.553 -11.836 1.00 1.00 O ATOM 169 CB THR A 11 -1.009 14.748 -14.165 1.00 1.00 C ATOM 170 OG1 THR A 11 -1.679 13.548 -14.529 1.00 1.00 O ATOM 171 CG2 THR A 11 0.389 14.769 -14.828 1.00 1.00 C ATOM 0 H THR A 11 -0.360 12.808 -12.144 1.00 1.00 H new ATOM 0 HA THR A 11 -0.444 15.777 -12.332 1.00 1.00 H new ATOM 0 HB THR A 11 -1.586 15.608 -14.504 1.00 1.00 H new ATOM 0 HG1 THR A 11 -1.774 13.509 -15.504 1.00 1.00 H new ATOM 0 HG21 THR A 11 0.279 14.722 -15.911 1.00 1.00 H new ATOM 0 HG22 THR A 11 0.907 15.688 -14.555 1.00 1.00 H new ATOM 0 HG23 THR A 11 0.967 13.911 -14.485 1.00 1.00 H new ATOM 179 N PRO A 12 -2.878 15.752 -11.551 1.00 1.00 N ATOM 180 CA PRO A 12 -4.246 15.647 -10.910 1.00 1.00 C ATOM 181 C PRO A 12 -5.347 15.426 -11.967 1.00 1.00 C ATOM 182 O PRO A 12 -5.613 16.315 -12.777 1.00 1.00 O ATOM 183 CB PRO A 12 -4.405 17.014 -10.185 1.00 1.00 C ATOM 184 CG PRO A 12 -3.680 17.972 -11.089 1.00 1.00 C ATOM 185 CD PRO A 12 -2.445 17.189 -11.603 1.00 1.00 C ATOM 0 HA PRO A 12 -4.338 14.798 -10.232 1.00 1.00 H new ATOM 0 HB2 PRO A 12 -5.454 17.287 -10.067 1.00 1.00 H new ATOM 0 HB3 PRO A 12 -3.967 16.993 -9.187 1.00 1.00 H new ATOM 0 HG2 PRO A 12 -4.315 18.292 -11.915 1.00 1.00 H new ATOM 0 HG3 PRO A 12 -3.380 18.871 -10.551 1.00 1.00 H new ATOM 0 HD2 PRO A 12 -2.176 17.488 -12.616 1.00 1.00 H new ATOM 0 HD3 PRO A 12 -1.571 17.365 -10.976 1.00 1.00 H new ATOM 193 N PHE A 13 -5.982 14.260 -11.938 1.00 1.00 N ATOM 194 CA PHE A 13 -7.062 13.946 -12.898 1.00 1.00 C ATOM 195 C PHE A 13 -7.844 12.692 -12.457 1.00 1.00 C ATOM 196 O PHE A 13 -7.388 11.565 -12.646 1.00 1.00 O ATOM 197 CB PHE A 13 -6.471 13.732 -14.323 1.00 1.00 C ATOM 198 CG PHE A 13 -7.602 13.751 -15.372 1.00 1.00 C ATOM 199 CD1 PHE A 13 -8.358 12.588 -15.626 1.00 1.00 C ATOM 200 CD2 PHE A 13 -7.912 14.938 -16.070 1.00 1.00 C ATOM 201 CE1 PHE A 13 -9.399 12.613 -16.567 1.00 1.00 C ATOM 202 CE2 PHE A 13 -8.956 14.956 -17.006 1.00 1.00 C ATOM 203 CZ PHE A 13 -9.697 13.795 -17.253 1.00 1.00 C ATOM 0 H PHE A 13 -5.779 13.515 -11.271 1.00 1.00 H new ATOM 0 HA PHE A 13 -7.751 14.790 -12.921 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -5.744 14.514 -14.545 1.00 1.00 H new ATOM 0 HB3 PHE A 13 -5.940 12.781 -14.366 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -8.135 11.675 -15.094 1.00 1.00 H new ATOM 0 HD2 PHE A 13 -7.343 15.836 -15.882 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -9.971 11.718 -16.762 1.00 1.00 H new ATOM 0 HE2 PHE A 13 -9.188 15.867 -17.537 1.00 1.00 H new ATOM 0 HZ PHE A 13 -10.500 13.812 -17.975 1.00 1.00 H new ATOM 213 N GLU A 14 -9.018 12.910 -11.871 1.00 1.00 N ATOM 214 CA GLU A 14 -9.884 11.809 -11.413 1.00 1.00 C ATOM 215 C GLU A 14 -10.160 10.811 -12.558 1.00 1.00 C ATOM 216 O GLU A 14 -10.205 11.201 -13.725 1.00 1.00 O ATOM 217 CB GLU A 14 -11.223 12.376 -10.853 1.00 1.00 C ATOM 218 CG GLU A 14 -12.005 13.196 -11.922 1.00 1.00 C ATOM 219 CD GLU A 14 -11.268 14.488 -12.286 1.00 1.00 C ATOM 220 OE1 GLU A 14 -10.840 15.178 -11.376 1.00 1.00 O ATOM 221 OE2 GLU A 14 -11.138 14.767 -13.470 1.00 1.00 O ATOM 0 H GLU A 14 -9.399 13.840 -11.698 1.00 1.00 H new ATOM 0 HA GLU A 14 -9.366 11.275 -10.616 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -11.845 11.553 -10.501 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -11.015 13.010 -9.991 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -12.144 12.590 -12.817 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -12.998 13.437 -11.543 1.00 1.00 H new ATOM 228 N GLY A 15 -10.339 9.540 -12.212 1.00 1.00 N ATOM 229 CA GLY A 15 -10.602 8.483 -13.205 1.00 1.00 C ATOM 230 C GLY A 15 -9.299 7.875 -13.713 1.00 1.00 C ATOM 231 O GLY A 15 -9.284 6.732 -14.172 1.00 1.00 O ATOM 0 H GLY A 15 -10.308 9.208 -11.248 1.00 1.00 H new ATOM 0 HA2 GLY A 15 -11.221 7.705 -12.758 1.00 1.00 H new ATOM 0 HA3 GLY A 15 -11.165 8.897 -14.042 1.00 1.00 H new ATOM 235 N GLU A 16 -8.210 8.630 -13.616 1.00 1.00 N ATOM 236 CA GLU A 16 -6.895 8.152 -14.074 1.00 1.00 C ATOM 237 C GLU A 16 -6.400 7.047 -13.149 1.00 1.00 C ATOM 238 O GLU A 16 -6.632 7.084 -11.941 1.00 1.00 O ATOM 239 CB GLU A 16 -5.873 9.327 -14.107 1.00 1.00 C ATOM 240 CG GLU A 16 -4.533 8.910 -14.782 1.00 1.00 C ATOM 241 CD GLU A 16 -4.732 8.591 -16.270 1.00 1.00 C ATOM 242 OE1 GLU A 16 -5.651 9.137 -16.860 1.00 1.00 O ATOM 243 OE2 GLU A 16 -3.964 7.801 -16.794 1.00 1.00 O ATOM 0 H GLU A 16 -8.204 9.573 -13.227 1.00 1.00 H new ATOM 0 HA GLU A 16 -6.994 7.754 -15.084 1.00 1.00 H new ATOM 0 HB2 GLU A 16 -6.305 10.169 -14.647 1.00 1.00 H new ATOM 0 HB3 GLU A 16 -5.677 9.667 -13.090 1.00 1.00 H new ATOM 0 HG2 GLU A 16 -3.804 9.713 -14.675 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -4.123 8.038 -14.273 1.00 1.00 H new ATOM 250 N GLU A 17 -5.720 6.063 -13.726 1.00 1.00 N ATOM 251 CA GLU A 17 -5.197 4.948 -12.946 1.00 1.00 C ATOM 252 C GLU A 17 -4.004 5.425 -12.106 1.00 1.00 C ATOM 253 O GLU A 17 -3.140 6.165 -12.576 1.00 1.00 O ATOM 254 CB GLU A 17 -4.781 3.802 -13.894 1.00 1.00 C ATOM 255 CG GLU A 17 -4.413 2.532 -13.090 1.00 1.00 C ATOM 256 CD GLU A 17 -3.994 1.404 -14.034 1.00 1.00 C ATOM 257 OE1 GLU A 17 -2.856 1.424 -14.475 1.00 1.00 O ATOM 258 OE2 GLU A 17 -4.812 0.539 -14.295 1.00 1.00 O ATOM 0 H GLU A 17 -5.519 6.014 -14.725 1.00 1.00 H new ATOM 0 HA GLU A 17 -5.968 4.574 -12.272 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -5.596 3.579 -14.582 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -3.930 4.115 -14.499 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -3.601 2.755 -12.398 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -5.266 2.214 -12.490 1.00 1.00 H new ATOM 265 N ILE A 18 -3.969 4.975 -10.855 1.00 1.00 N ATOM 266 CA ILE A 18 -2.878 5.342 -9.920 1.00 1.00 C ATOM 267 C ILE A 18 -2.197 4.077 -9.391 1.00 1.00 C ATOM 268 O ILE A 18 -2.837 3.045 -9.194 1.00 1.00 O ATOM 269 CB ILE A 18 -3.448 6.209 -8.758 1.00 1.00 C ATOM 270 CG1 ILE A 18 -4.589 5.444 -8.022 1.00 1.00 C ATOM 271 CG2 ILE A 18 -3.989 7.555 -9.323 1.00 1.00 C ATOM 272 CD1 ILE A 18 -5.130 6.252 -6.824 1.00 1.00 C ATOM 0 H ILE A 18 -4.675 4.357 -10.454 1.00 1.00 H new ATOM 0 HA ILE A 18 -2.128 5.933 -10.446 1.00 1.00 H new ATOM 0 HB ILE A 18 -2.649 6.414 -8.045 1.00 1.00 H new ATOM 0 HG12 ILE A 18 -5.400 5.239 -8.720 1.00 1.00 H new ATOM 0 HG13 ILE A 18 -4.217 4.480 -7.674 1.00 1.00 H new ATOM 0 HG21 ILE A 18 -4.387 8.158 -8.507 1.00 1.00 H new ATOM 0 HG22 ILE A 18 -3.179 8.096 -9.813 1.00 1.00 H new ATOM 0 HG23 ILE A 18 -4.780 7.355 -10.045 1.00 1.00 H new ATOM 0 HD11 ILE A 18 -5.924 5.689 -6.334 1.00 1.00 H new ATOM 0 HD12 ILE A 18 -4.323 6.434 -6.114 1.00 1.00 H new ATOM 0 HD13 ILE A 18 -5.525 7.205 -7.176 1.00 1.00 H new ATOM 284 N THR A 19 -0.893 4.179 -9.150 1.00 1.00 N ATOM 285 CA THR A 19 -0.106 3.033 -8.641 1.00 1.00 C ATOM 286 C THR A 19 0.040 3.158 -7.128 1.00 1.00 C ATOM 287 O THR A 19 0.692 4.076 -6.630 1.00 1.00 O ATOM 288 CB THR A 19 1.293 3.000 -9.321 1.00 1.00 C ATOM 289 OG1 THR A 19 1.126 3.045 -10.730 1.00 1.00 O ATOM 290 CG2 THR A 19 2.057 1.706 -8.963 1.00 1.00 C ATOM 0 H THR A 19 -0.352 5.032 -9.294 1.00 1.00 H new ATOM 0 HA THR A 19 -0.622 2.102 -8.876 1.00 1.00 H new ATOM 0 HB THR A 19 1.864 3.858 -8.967 1.00 1.00 H new ATOM 0 HG1 THR A 19 2.004 3.026 -11.164 1.00 1.00 H new ATOM 0 HG21 THR A 19 3.031 1.711 -9.453 1.00 1.00 H new ATOM 0 HG22 THR A 19 2.194 1.651 -7.883 1.00 1.00 H new ATOM 0 HG23 THR A 19 1.486 0.841 -9.301 1.00 1.00 H new ATOM 298 N VAL A 20 -0.557 2.218 -6.405 1.00 1.00 N ATOM 299 CA VAL A 20 -0.495 2.235 -4.930 1.00 1.00 C ATOM 300 C VAL A 20 0.609 1.293 -4.467 1.00 1.00 C ATOM 301 O VAL A 20 0.563 0.093 -4.736 1.00 1.00 O ATOM 302 CB VAL A 20 -1.860 1.801 -4.329 1.00 1.00 C ATOM 303 CG1 VAL A 20 -1.835 1.925 -2.782 1.00 1.00 C ATOM 304 CG2 VAL A 20 -2.986 2.697 -4.894 1.00 1.00 C ATOM 0 H VAL A 20 -1.085 1.440 -6.800 1.00 1.00 H new ATOM 0 HA VAL A 20 -0.277 3.246 -4.587 1.00 1.00 H new ATOM 0 HB VAL A 20 -2.044 0.761 -4.600 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -2.799 1.617 -2.377 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -1.050 1.285 -2.378 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -1.638 2.960 -2.503 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -3.942 2.390 -4.471 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -2.790 3.737 -4.632 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -3.021 2.597 -5.979 1.00 1.00 H new ATOM 314 N SER A 21 1.595 1.842 -3.763 1.00 1.00 N ATOM 315 CA SER A 21 2.728 1.050 -3.247 1.00 1.00 C ATOM 316 C SER A 21 2.922 1.324 -1.749 1.00 1.00 C ATOM 317 O SER A 21 2.947 2.472 -1.308 1.00 1.00 O ATOM 318 CB SER A 21 4.003 1.423 -4.022 1.00 1.00 C ATOM 319 OG SER A 21 3.779 1.219 -5.413 1.00 1.00 O ATOM 0 H SER A 21 1.640 2.834 -3.532 1.00 1.00 H new ATOM 0 HA SER A 21 2.520 -0.011 -3.382 1.00 1.00 H new ATOM 0 HB2 SER A 21 4.268 2.463 -3.832 1.00 1.00 H new ATOM 0 HB3 SER A 21 4.841 0.814 -3.683 1.00 1.00 H new ATOM 0 HG SER A 21 4.588 1.457 -5.913 1.00 1.00 H new ATOM 325 N ALA A 22 3.078 0.250 -0.982 1.00 1.00 N ATOM 326 CA ALA A 22 3.273 0.348 0.489 1.00 1.00 C ATOM 327 C ALA A 22 4.699 -0.068 0.861 1.00 1.00 C ATOM 328 O ALA A 22 5.161 -1.138 0.461 1.00 1.00 O ATOM 329 CB ALA A 22 2.260 -0.577 1.194 1.00 1.00 C ATOM 0 H ALA A 22 3.076 -0.705 -1.340 1.00 1.00 H new ATOM 0 HA ALA A 22 3.115 1.379 0.807 1.00 1.00 H new ATOM 0 HB1 ALA A 22 2.397 -0.511 2.273 1.00 1.00 H new ATOM 0 HB2 ALA A 22 1.246 -0.269 0.937 1.00 1.00 H new ATOM 0 HB3 ALA A 22 2.420 -1.606 0.871 1.00 1.00 H new ATOM 335 N ARG A 23 5.388 0.779 1.618 1.00 1.00 N ATOM 336 CA ARG A 23 6.773 0.481 2.031 1.00 1.00 C ATOM 337 C ARG A 23 6.771 -0.396 3.285 1.00 1.00 C ATOM 338 O ARG A 23 6.267 0.007 4.333 1.00 1.00 O ATOM 339 CB ARG A 23 7.547 1.793 2.298 1.00 1.00 C ATOM 340 CG ARG A 23 7.598 2.650 1.007 1.00 1.00 C ATOM 341 CD ARG A 23 8.417 3.931 1.240 1.00 1.00 C ATOM 342 NE ARG A 23 8.416 4.762 0.022 1.00 1.00 N ATOM 343 CZ ARG A 23 9.130 4.440 -1.070 1.00 1.00 C ATOM 344 NH1 ARG A 23 9.866 3.362 -1.090 1.00 1.00 N ATOM 345 NH2 ARG A 23 9.088 5.212 -2.125 1.00 1.00 N ATOM 0 H ARG A 23 5.025 1.669 1.959 1.00 1.00 H new ATOM 0 HA ARG A 23 7.270 -0.059 1.225 1.00 1.00 H new ATOM 0 HB2 ARG A 23 7.064 2.354 3.098 1.00 1.00 H new ATOM 0 HB3 ARG A 23 8.559 1.566 2.634 1.00 1.00 H new ATOM 0 HG2 ARG A 23 8.041 2.071 0.197 1.00 1.00 H new ATOM 0 HG3 ARG A 23 6.586 2.910 0.696 1.00 1.00 H new ATOM 0 HD2 ARG A 23 7.997 4.494 2.074 1.00 1.00 H new ATOM 0 HD3 ARG A 23 9.440 3.673 1.513 1.00 1.00 H new ATOM 0 HE ARG A 23 7.853 5.612 0.008 1.00 1.00 H new ATOM 0 HH11 ARG A 23 9.903 2.755 -0.271 1.00 1.00 H new ATOM 0 HH12 ARG A 23 10.404 3.127 -1.924 1.00 1.00 H new ATOM 0 HH21 ARG A 23 8.515 6.056 -2.117 1.00 1.00 H new ATOM 0 HH22 ARG A 23 9.629 4.971 -2.955 1.00 1.00 H new ATOM 359 N VAL A 24 7.349 -1.588 3.170 1.00 1.00 N ATOM 360 CA VAL A 24 7.429 -2.546 4.297 1.00 1.00 C ATOM 361 C VAL A 24 8.881 -2.621 4.795 1.00 1.00 C ATOM 362 O VAL A 24 9.774 -3.111 4.103 1.00 1.00 O ATOM 363 CB VAL A 24 6.936 -3.958 3.841 1.00 1.00 C ATOM 364 CG1 VAL A 24 6.750 -4.889 5.066 1.00 1.00 C ATOM 365 CG2 VAL A 24 5.592 -3.825 3.084 1.00 1.00 C ATOM 0 H VAL A 24 7.775 -1.926 2.307 1.00 1.00 H new ATOM 0 HA VAL A 24 6.787 -2.206 5.110 1.00 1.00 H new ATOM 0 HB VAL A 24 7.686 -4.391 3.180 1.00 1.00 H new ATOM 0 HG11 VAL A 24 6.407 -5.868 4.730 1.00 1.00 H new ATOM 0 HG12 VAL A 24 7.701 -4.997 5.588 1.00 1.00 H new ATOM 0 HG13 VAL A 24 6.012 -4.458 5.742 1.00 1.00 H new ATOM 0 HG21 VAL A 24 5.253 -4.812 2.768 1.00 1.00 H new ATOM 0 HG22 VAL A 24 4.847 -3.378 3.742 1.00 1.00 H new ATOM 0 HG23 VAL A 24 5.729 -3.191 2.208 1.00 1.00 H new ATOM 375 N THR A 25 9.092 -2.146 6.018 1.00 1.00 N ATOM 376 CA THR A 25 10.444 -2.154 6.609 1.00 1.00 C ATOM 377 C THR A 25 10.699 -3.502 7.286 1.00 1.00 C ATOM 378 O THR A 25 9.861 -3.980 8.054 1.00 1.00 O ATOM 379 CB THR A 25 10.565 -0.998 7.635 1.00 1.00 C ATOM 380 OG1 THR A 25 10.228 0.222 6.991 1.00 1.00 O ATOM 381 CG2 THR A 25 12.004 -0.884 8.181 1.00 1.00 C ATOM 0 H THR A 25 8.365 -1.755 6.618 1.00 1.00 H new ATOM 0 HA THR A 25 11.190 -2.010 5.827 1.00 1.00 H new ATOM 0 HB THR A 25 9.891 -1.203 8.467 1.00 1.00 H new ATOM 0 HG1 THR A 25 10.299 0.960 7.631 1.00 1.00 H new ATOM 0 HG21 THR A 25 12.057 -0.065 8.898 1.00 1.00 H new ATOM 0 HG22 THR A 25 12.281 -1.816 8.674 1.00 1.00 H new ATOM 0 HG23 THR A 25 12.691 -0.691 7.357 1.00 1.00 H new ATOM 389 N ASN A 26 11.851 -4.102 7.007 1.00 1.00 N ATOM 390 CA ASN A 26 12.205 -5.407 7.598 1.00 1.00 C ATOM 391 C ASN A 26 12.877 -5.197 8.955 1.00 1.00 C ATOM 392 O ASN A 26 14.028 -4.766 9.033 1.00 1.00 O ATOM 393 CB ASN A 26 13.148 -6.178 6.652 1.00 1.00 C ATOM 394 CG ASN A 26 13.449 -7.575 7.203 1.00 1.00 C ATOM 395 OD1 ASN A 26 14.507 -7.804 7.785 1.00 1.00 O ATOM 396 ND2 ASN A 26 12.568 -8.521 7.060 1.00 1.00 N ATOM 0 H ASN A 26 12.558 -3.716 6.381 1.00 1.00 H new ATOM 0 HA ASN A 26 11.296 -5.992 7.739 1.00 1.00 H new ATOM 0 HB2 ASN A 26 12.692 -6.262 5.666 1.00 1.00 H new ATOM 0 HB3 ASN A 26 14.078 -5.623 6.527 1.00 1.00 H new ATOM 0 HD21 ASN A 26 12.755 -9.453 7.431 1.00 1.00 H new ATOM 0 HD22 ASN A 26 11.690 -8.331 6.577 1.00 1.00 H new ATOM 444 N ALA A 30 16.534 -11.092 11.478 1.00 1.00 N ATOM 445 CA ALA A 30 16.670 -12.254 10.580 1.00 1.00 C ATOM 446 C ALA A 30 15.956 -11.993 9.248 1.00 1.00 C ATOM 447 O ALA A 30 15.014 -11.205 9.167 1.00 1.00 O ATOM 448 CB ALA A 30 16.070 -13.494 11.265 1.00 1.00 C ATOM 0 HA ALA A 30 17.727 -12.424 10.373 1.00 1.00 H new ATOM 0 HB1 ALA A 30 16.167 -14.357 10.606 1.00 1.00 H new ATOM 0 HB2 ALA A 30 16.601 -13.688 12.197 1.00 1.00 H new ATOM 0 HB3 ALA A 30 15.016 -13.318 11.478 1.00 1.00 H new ATOM 454 N GLU A 31 16.418 -12.678 8.207 1.00 1.00 N ATOM 455 CA GLU A 31 15.827 -12.522 6.880 1.00 1.00 C ATOM 456 C GLU A 31 14.389 -13.049 6.889 1.00 1.00 C ATOM 457 O GLU A 31 14.156 -14.237 7.113 1.00 1.00 O ATOM 458 CB GLU A 31 16.675 -13.286 5.839 1.00 1.00 C ATOM 459 CG GLU A 31 16.172 -13.002 4.405 1.00 1.00 C ATOM 460 CD GLU A 31 17.028 -13.729 3.359 1.00 1.00 C ATOM 461 OE1 GLU A 31 18.128 -14.144 3.691 1.00 1.00 O ATOM 462 OE2 GLU A 31 16.569 -13.850 2.236 1.00 1.00 O ATOM 0 H GLU A 31 17.192 -13.341 8.254 1.00 1.00 H new ATOM 0 HA GLU A 31 15.811 -11.466 6.612 1.00 1.00 H new ATOM 0 HB2 GLU A 31 17.720 -12.990 5.928 1.00 1.00 H new ATOM 0 HB3 GLU A 31 16.628 -14.356 6.040 1.00 1.00 H new ATOM 0 HG2 GLU A 31 15.133 -13.319 4.312 1.00 1.00 H new ATOM 0 HG3 GLU A 31 16.196 -11.929 4.215 1.00 1.00 H new ATOM 469 N ALA A 32 13.432 -12.161 6.635 1.00 1.00 N ATOM 470 CA ALA A 32 12.014 -12.540 6.610 1.00 1.00 C ATOM 471 C ALA A 32 11.637 -13.031 5.216 1.00 1.00 C ATOM 472 O ALA A 32 12.232 -12.622 4.219 1.00 1.00 O ATOM 473 CB ALA A 32 11.148 -11.325 6.989 1.00 1.00 C ATOM 0 H ALA A 32 13.607 -11.175 6.443 1.00 1.00 H new ATOM 0 HA ALA A 32 11.841 -13.341 7.329 1.00 1.00 H new ATOM 0 HB1 ALA A 32 10.096 -11.608 6.970 1.00 1.00 H new ATOM 0 HB2 ALA A 32 11.415 -10.986 7.990 1.00 1.00 H new ATOM 0 HB3 ALA A 32 11.320 -10.519 6.276 1.00 1.00 H new ATOM 479 N HIS A 33 10.633 -13.899 5.156 1.00 1.00 N ATOM 480 CA HIS A 33 10.159 -14.449 3.870 1.00 1.00 C ATOM 481 C HIS A 33 8.642 -14.535 3.868 1.00 1.00 C ATOM 482 O HIS A 33 7.986 -14.356 4.894 1.00 1.00 O ATOM 483 CB HIS A 33 10.786 -15.845 3.617 1.00 1.00 C ATOM 484 CG HIS A 33 10.481 -16.305 2.208 1.00 1.00 C ATOM 485 ND1 HIS A 33 9.557 -17.302 1.921 1.00 1.00 N ATOM 486 CD2 HIS A 33 10.966 -15.887 0.991 1.00 1.00 C ATOM 487 CE1 HIS A 33 9.514 -17.440 0.581 1.00 1.00 C ATOM 488 NE2 HIS A 33 10.353 -16.602 -0.031 1.00 1.00 N ATOM 0 H HIS A 33 10.127 -14.242 5.973 1.00 1.00 H new ATOM 0 HA HIS A 33 10.470 -13.783 3.065 1.00 1.00 H new ATOM 0 HB2 HIS A 33 11.865 -15.800 3.768 1.00 1.00 H new ATOM 0 HB3 HIS A 33 10.393 -16.564 4.336 1.00 1.00 H new ATOM 0 HD2 HIS A 33 11.712 -15.118 0.850 1.00 1.00 H new ATOM 0 HE1 HIS A 33 8.878 -18.144 0.065 1.00 1.00 H new ATOM 0 HE2 HIS A 33 10.511 -16.507 -1.034 1.00 1.00 H new ATOM 497 N ASN A 34 8.087 -14.799 2.690 1.00 1.00 N ATOM 498 CA ASN A 34 6.632 -14.892 2.539 1.00 1.00 C ATOM 499 C ASN A 34 5.938 -13.661 3.161 1.00 1.00 C ATOM 500 O ASN A 34 5.163 -13.780 4.110 1.00 1.00 O ATOM 501 CB ASN A 34 6.111 -16.188 3.193 1.00 1.00 C ATOM 502 CG ASN A 34 6.768 -17.415 2.556 1.00 1.00 C ATOM 503 OD1 ASN A 34 6.822 -17.522 1.331 1.00 1.00 O ATOM 504 ND2 ASN A 34 7.261 -18.354 3.319 1.00 1.00 N ATOM 0 H ASN A 34 8.614 -14.952 1.830 1.00 1.00 H new ATOM 0 HA ASN A 34 6.397 -14.915 1.475 1.00 1.00 H new ATOM 0 HB2 ASN A 34 6.320 -16.171 4.263 1.00 1.00 H new ATOM 0 HB3 ASN A 34 5.029 -16.249 3.080 1.00 1.00 H new ATOM 0 HD21 ASN A 34 7.692 -19.178 2.900 1.00 1.00 H new ATOM 0 HD22 ASN A 34 7.215 -18.263 4.334 1.00 1.00 H new ATOM 511 N VAL A 35 6.232 -12.488 2.611 1.00 1.00 N ATOM 512 CA VAL A 35 5.642 -11.218 3.108 1.00 1.00 C ATOM 513 C VAL A 35 4.721 -10.623 2.018 1.00 1.00 C ATOM 514 O VAL A 35 5.157 -9.730 1.293 1.00 1.00 O ATOM 515 CB VAL A 35 6.785 -10.216 3.473 1.00 1.00 C ATOM 516 CG1 VAL A 35 6.209 -8.938 4.146 1.00 1.00 C ATOM 517 CG2 VAL A 35 7.773 -10.899 4.452 1.00 1.00 C ATOM 0 H VAL A 35 6.871 -12.374 1.824 1.00 1.00 H new ATOM 0 HA VAL A 35 5.050 -11.408 4.003 1.00 1.00 H new ATOM 0 HB VAL A 35 7.298 -9.929 2.555 1.00 1.00 H new ATOM 0 HG11 VAL A 35 7.024 -8.257 4.390 1.00 1.00 H new ATOM 0 HG12 VAL A 35 5.518 -8.446 3.461 1.00 1.00 H new ATOM 0 HG13 VAL A 35 5.681 -9.214 5.059 1.00 1.00 H new ATOM 0 HG21 VAL A 35 8.571 -10.202 4.708 1.00 1.00 H new ATOM 0 HG22 VAL A 35 7.243 -11.193 5.358 1.00 1.00 H new ATOM 0 HG23 VAL A 35 8.201 -11.783 3.979 1.00 1.00 H new ATOM 527 N PRO A 36 3.497 -11.065 1.914 1.00 1.00 N ATOM 528 CA PRO A 36 2.544 -10.508 0.902 1.00 1.00 C ATOM 529 C PRO A 36 1.934 -9.194 1.379 1.00 1.00 C ATOM 530 O PRO A 36 2.071 -8.796 2.537 1.00 1.00 O ATOM 531 CB PRO A 36 1.486 -11.633 0.749 1.00 1.00 C ATOM 532 CG PRO A 36 1.381 -12.196 2.136 1.00 1.00 C ATOM 533 CD PRO A 36 2.828 -12.154 2.693 1.00 1.00 C ATOM 0 HA PRO A 36 3.019 -10.257 -0.047 1.00 1.00 H new ATOM 0 HB2 PRO A 36 0.530 -11.242 0.400 1.00 1.00 H new ATOM 0 HB3 PRO A 36 1.803 -12.389 0.031 1.00 1.00 H new ATOM 0 HG2 PRO A 36 0.703 -11.605 2.752 1.00 1.00 H new ATOM 0 HG3 PRO A 36 0.993 -13.214 2.121 1.00 1.00 H new ATOM 0 HD2 PRO A 36 2.836 -11.940 3.762 1.00 1.00 H new ATOM 0 HD3 PRO A 36 3.334 -13.109 2.555 1.00 1.00 H new ATOM 541 N VAL A 37 1.249 -8.522 0.460 1.00 1.00 N ATOM 542 CA VAL A 37 0.601 -7.226 0.771 1.00 1.00 C ATOM 543 C VAL A 37 -0.838 -7.247 0.283 1.00 1.00 C ATOM 544 O VAL A 37 -1.131 -7.691 -0.827 1.00 1.00 O ATOM 545 CB VAL A 37 1.387 -6.062 0.103 1.00 1.00 C ATOM 546 CG1 VAL A 37 0.791 -4.684 0.507 1.00 1.00 C ATOM 547 CG2 VAL A 37 2.862 -6.130 0.552 1.00 1.00 C ATOM 0 H VAL A 37 1.121 -8.838 -0.501 1.00 1.00 H new ATOM 0 HA VAL A 37 0.606 -7.069 1.850 1.00 1.00 H new ATOM 0 HB VAL A 37 1.313 -6.166 -0.980 1.00 1.00 H new ATOM 0 HG11 VAL A 37 1.359 -3.887 0.027 1.00 1.00 H new ATOM 0 HG12 VAL A 37 -0.250 -4.631 0.189 1.00 1.00 H new ATOM 0 HG13 VAL A 37 0.846 -4.567 1.589 1.00 1.00 H new ATOM 0 HG21 VAL A 37 3.421 -5.317 0.088 1.00 1.00 H new ATOM 0 HG22 VAL A 37 2.917 -6.036 1.637 1.00 1.00 H new ATOM 0 HG23 VAL A 37 3.291 -7.085 0.249 1.00 1.00 H new ATOM 557 N ALA A 38 -1.739 -6.739 1.119 1.00 1.00 N ATOM 558 CA ALA A 38 -3.169 -6.684 0.783 1.00 1.00 C ATOM 559 C ALA A 38 -3.669 -5.258 0.949 1.00 1.00 C ATOM 560 O ALA A 38 -3.713 -4.726 2.060 1.00 1.00 O ATOM 561 CB ALA A 38 -3.946 -7.629 1.723 1.00 1.00 C ATOM 0 H ALA A 38 -1.509 -6.358 2.037 1.00 1.00 H new ATOM 0 HA ALA A 38 -3.322 -6.998 -0.249 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -5.008 -7.593 1.479 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -3.580 -8.648 1.599 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -3.800 -7.315 2.756 1.00 1.00 H new ATOM 567 N VAL A 39 -4.071 -4.646 -0.160 1.00 1.00 N ATOM 568 CA VAL A 39 -4.593 -3.273 -0.167 1.00 1.00 C ATOM 569 C VAL A 39 -6.117 -3.311 -0.328 1.00 1.00 C ATOM 570 O VAL A 39 -6.660 -4.065 -1.134 1.00 1.00 O ATOM 571 CB VAL A 39 -3.950 -2.460 -1.329 1.00 1.00 C ATOM 572 CG1 VAL A 39 -4.379 -0.971 -1.249 1.00 1.00 C ATOM 573 CG2 VAL A 39 -2.406 -2.549 -1.236 1.00 1.00 C ATOM 0 H VAL A 39 -4.046 -5.083 -1.082 1.00 1.00 H new ATOM 0 HA VAL A 39 -4.342 -2.786 0.775 1.00 1.00 H new ATOM 0 HB VAL A 39 -4.289 -2.880 -2.276 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -3.921 -0.416 -2.068 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -5.464 -0.900 -1.325 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -4.053 -0.549 -0.298 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -1.959 -1.979 -2.051 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -2.075 -2.139 -0.282 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -2.097 -3.592 -1.310 1.00 1.00 H new ATOM 583 N TYR A 40 -6.792 -2.469 0.447 1.00 1.00 N ATOM 584 CA TYR A 40 -8.270 -2.389 0.389 1.00 1.00 C ATOM 585 C TYR A 40 -8.732 -0.951 0.659 1.00 1.00 C ATOM 586 O TYR A 40 -8.363 -0.353 1.671 1.00 1.00 O ATOM 587 CB TYR A 40 -8.881 -3.378 1.415 1.00 1.00 C ATOM 588 CG TYR A 40 -8.290 -3.097 2.797 1.00 1.00 C ATOM 589 CD1 TYR A 40 -7.078 -3.705 3.186 1.00 1.00 C ATOM 590 CD2 TYR A 40 -8.933 -2.212 3.684 1.00 1.00 C ATOM 591 CE1 TYR A 40 -6.521 -3.430 4.442 1.00 1.00 C ATOM 592 CE2 TYR A 40 -8.366 -1.936 4.935 1.00 1.00 C ATOM 593 CZ TYR A 40 -7.164 -2.544 5.315 1.00 1.00 C ATOM 594 OH TYR A 40 -6.607 -2.264 6.545 1.00 1.00 O ATOM 0 H TYR A 40 -6.358 -1.835 1.118 1.00 1.00 H new ATOM 0 HA TYR A 40 -8.614 -2.668 -0.607 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -9.965 -3.270 1.441 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -8.670 -4.405 1.118 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -6.577 -4.385 2.513 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -9.865 -1.745 3.399 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -5.595 -3.902 4.737 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -8.859 -1.251 5.609 1.00 1.00 H new ATOM 0 HH TYR A 40 -7.179 -1.630 7.026 1.00 1.00 H new ATOM 604 N LEU A 41 -9.547 -0.413 -0.242 1.00 1.00 N ATOM 605 CA LEU A 41 -10.049 0.966 -0.099 1.00 1.00 C ATOM 606 C LEU A 41 -11.310 0.974 0.774 1.00 1.00 C ATOM 607 O LEU A 41 -12.281 0.275 0.484 1.00 1.00 O ATOM 608 CB LEU A 41 -10.371 1.579 -1.496 1.00 1.00 C ATOM 609 CG LEU A 41 -10.544 3.158 -1.401 1.00 1.00 C ATOM 610 CD1 LEU A 41 -9.194 3.868 -1.677 1.00 1.00 C ATOM 611 CD2 LEU A 41 -11.603 3.657 -2.413 1.00 1.00 C ATOM 0 H LEU A 41 -9.877 -0.899 -1.076 1.00 1.00 H new ATOM 0 HA LEU A 41 -9.276 1.569 0.377 1.00 1.00 H new ATOM 0 HB2 LEU A 41 -9.570 1.339 -2.195 1.00 1.00 H new ATOM 0 HB3 LEU A 41 -11.284 1.133 -1.891 1.00 1.00 H new ATOM 0 HG LEU A 41 -10.878 3.398 -0.392 1.00 1.00 H new ATOM 0 HD11 LEU A 41 -9.330 4.947 -1.608 1.00 1.00 H new ATOM 0 HD12 LEU A 41 -8.457 3.547 -0.941 1.00 1.00 H new ATOM 0 HD13 LEU A 41 -8.845 3.609 -2.677 1.00 1.00 H new ATOM 0 HD21 LEU A 41 -11.704 4.739 -2.330 1.00 1.00 H new ATOM 0 HD22 LEU A 41 -11.290 3.398 -3.425 1.00 1.00 H new ATOM 0 HD23 LEU A 41 -12.562 3.185 -2.198 1.00 1.00 H new ATOM 623 N GLY A 42 -11.280 1.764 1.843 1.00 1.00 N ATOM 624 CA GLY A 42 -12.415 1.886 2.779 1.00 1.00 C ATOM 625 C GLY A 42 -11.997 1.490 4.189 1.00 1.00 C ATOM 626 O GLY A 42 -10.816 1.504 4.536 1.00 1.00 O ATOM 0 H GLY A 42 -10.476 2.340 2.093 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.784 2.912 2.779 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -13.237 1.251 2.446 1.00 1.00 H new ATOM 630 N ASN A 43 -12.988 1.138 5.003 1.00 1.00 N ATOM 631 CA ASN A 43 -12.725 0.747 6.418 1.00 1.00 C ATOM 632 C ASN A 43 -13.072 -0.748 6.671 1.00 1.00 C ATOM 633 O ASN A 43 -14.075 -1.205 6.123 1.00 1.00 O ATOM 634 CB ASN A 43 -13.570 1.657 7.326 1.00 1.00 C ATOM 635 CG ASN A 43 -13.189 3.124 7.083 1.00 1.00 C ATOM 636 OD1 ASN A 43 -12.018 3.423 6.838 1.00 1.00 O ATOM 637 ND2 ASN A 43 -14.101 4.056 7.127 1.00 1.00 N ATOM 0 H ASN A 43 -13.970 1.110 4.730 1.00 1.00 H new ATOM 0 HA ASN A 43 -11.664 0.867 6.637 1.00 1.00 H new ATOM 0 HB2 ASN A 43 -14.630 1.508 7.122 1.00 1.00 H new ATOM 0 HB3 ASN A 43 -13.407 1.397 8.372 1.00 1.00 H new ATOM 0 HD21 ASN A 43 -13.845 5.029 6.959 1.00 1.00 H new ATOM 0 HD22 ASN A 43 -15.070 3.812 7.329 1.00 1.00 H new ATOM 644 N PRO A 44 -12.328 -1.467 7.469 1.00 1.00 N ATOM 645 CA PRO A 44 -12.673 -2.920 7.746 1.00 1.00 C ATOM 646 C PRO A 44 -14.160 -3.130 8.126 1.00 1.00 C ATOM 647 O PRO A 44 -14.785 -4.118 7.736 1.00 1.00 O ATOM 648 CB PRO A 44 -11.742 -3.302 8.936 1.00 1.00 C ATOM 649 CG PRO A 44 -10.540 -2.414 8.784 1.00 1.00 C ATOM 650 CD PRO A 44 -11.075 -1.081 8.201 1.00 1.00 C ATOM 0 HA PRO A 44 -12.528 -3.538 6.860 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -12.236 -3.138 9.893 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -11.463 -4.355 8.898 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -10.049 -2.253 9.743 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -9.802 -2.864 8.120 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -11.283 -0.358 8.990 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -10.349 -0.621 7.530 1.00 1.00 H new ATOM 658 N ALA A 45 -14.697 -2.196 8.904 1.00 1.00 N ATOM 659 CA ALA A 45 -16.103 -2.272 9.352 1.00 1.00 C ATOM 660 C ALA A 45 -17.062 -1.851 8.228 1.00 1.00 C ATOM 661 O ALA A 45 -18.193 -1.440 8.484 1.00 1.00 O ATOM 662 CB ALA A 45 -16.293 -1.353 10.567 1.00 1.00 C ATOM 0 H ALA A 45 -14.191 -1.377 9.242 1.00 1.00 H new ATOM 0 HA ALA A 45 -16.330 -3.303 9.624 1.00 1.00 H new ATOM 0 HB1 ALA A 45 -17.329 -1.404 10.903 1.00 1.00 H new ATOM 0 HB2 ALA A 45 -15.634 -1.675 11.373 1.00 1.00 H new ATOM 0 HB3 ALA A 45 -16.052 -0.327 10.288 1.00 1.00 H new ATOM 668 N GLN A 46 -16.592 -1.955 6.989 1.00 1.00 N ATOM 669 CA GLN A 46 -17.417 -1.587 5.827 1.00 1.00 C ATOM 670 C GLN A 46 -16.771 -2.105 4.546 1.00 1.00 C ATOM 671 O GLN A 46 -17.250 -3.063 3.940 1.00 1.00 O ATOM 672 CB GLN A 46 -17.592 -0.047 5.766 1.00 1.00 C ATOM 673 CG GLN A 46 -18.552 0.367 4.619 1.00 1.00 C ATOM 674 CD GLN A 46 -18.746 1.888 4.604 1.00 1.00 C ATOM 675 OE1 GLN A 46 -17.789 2.638 4.791 1.00 1.00 O ATOM 676 NE2 GLN A 46 -19.934 2.386 4.377 1.00 1.00 N ATOM 0 H GLN A 46 -15.656 -2.287 6.757 1.00 1.00 H new ATOM 0 HA GLN A 46 -18.402 -2.043 5.928 1.00 1.00 H new ATOM 0 HB2 GLN A 46 -17.982 0.315 6.718 1.00 1.00 H new ATOM 0 HB3 GLN A 46 -16.621 0.426 5.619 1.00 1.00 H new ATOM 0 HG2 GLN A 46 -18.148 0.036 3.662 1.00 1.00 H new ATOM 0 HG3 GLN A 46 -19.515 -0.127 4.747 1.00 1.00 H new ATOM 0 HE21 GLN A 46 -20.727 1.763 4.222 1.00 1.00 H new ATOM 0 HE22 GLN A 46 -20.067 3.397 4.355 1.00 1.00 H new ATOM 685 N GLY A 47 -15.691 -1.450 4.128 1.00 1.00 N ATOM 686 CA GLY A 47 -14.979 -1.845 2.912 1.00 1.00 C ATOM 687 C GLY A 47 -14.446 -3.278 3.023 1.00 1.00 C ATOM 688 O GLY A 47 -15.178 -4.237 2.781 1.00 1.00 O ATOM 0 H GLY A 47 -15.289 -0.646 4.610 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -15.648 -1.768 2.055 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -14.151 -1.159 2.733 1.00 1.00 H new ATOM 692 N GLY A 48 -13.174 -3.411 3.383 1.00 1.00 N ATOM 693 CA GLY A 48 -12.554 -4.735 3.512 1.00 1.00 C ATOM 694 C GLY A 48 -12.585 -5.486 2.177 1.00 1.00 C ATOM 695 O GLY A 48 -12.747 -6.706 2.139 1.00 1.00 O ATOM 0 H GLY A 48 -12.553 -2.629 3.590 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -11.523 -4.627 3.849 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -13.079 -5.314 4.272 1.00 1.00 H new ATOM 699 N VAL A 49 -12.416 -4.744 1.088 1.00 1.00 N ATOM 700 CA VAL A 49 -12.423 -5.332 -0.278 1.00 1.00 C ATOM 701 C VAL A 49 -10.996 -5.374 -0.838 1.00 1.00 C ATOM 702 O VAL A 49 -10.380 -4.333 -1.067 1.00 1.00 O ATOM 703 CB VAL A 49 -13.342 -4.494 -1.217 1.00 1.00 C ATOM 704 CG1 VAL A 49 -13.454 -5.160 -2.616 1.00 1.00 C ATOM 705 CG2 VAL A 49 -14.754 -4.386 -0.594 1.00 1.00 C ATOM 0 H VAL A 49 -12.272 -3.734 1.108 1.00 1.00 H new ATOM 0 HA VAL A 49 -12.811 -6.349 -0.223 1.00 1.00 H new ATOM 0 HB VAL A 49 -12.905 -3.502 -1.333 1.00 1.00 H new ATOM 0 HG11 VAL A 49 -14.100 -4.558 -3.255 1.00 1.00 H new ATOM 0 HG12 VAL A 49 -12.464 -5.231 -3.066 1.00 1.00 H new ATOM 0 HG13 VAL A 49 -13.877 -6.159 -2.511 1.00 1.00 H new ATOM 0 HG21 VAL A 49 -15.397 -3.800 -1.250 1.00 1.00 H new ATOM 0 HG22 VAL A 49 -15.174 -5.384 -0.470 1.00 1.00 H new ATOM 0 HG23 VAL A 49 -14.686 -3.898 0.378 1.00 1.00 H new ATOM 715 N GLU A 50 -10.486 -6.581 -1.062 1.00 1.00 N ATOM 716 CA GLU A 50 -9.128 -6.739 -1.600 1.00 1.00 C ATOM 717 C GLU A 50 -9.099 -6.307 -3.080 1.00 1.00 C ATOM 718 O GLU A 50 -9.951 -6.705 -3.874 1.00 1.00 O ATOM 719 CB GLU A 50 -8.667 -8.210 -1.442 1.00 1.00 C ATOM 720 CG GLU A 50 -7.180 -8.371 -1.844 1.00 1.00 C ATOM 721 CD GLU A 50 -6.728 -9.824 -1.677 1.00 1.00 C ATOM 722 OE1 GLU A 50 -7.032 -10.620 -2.551 1.00 1.00 O ATOM 723 OE2 GLU A 50 -6.080 -10.116 -0.685 1.00 1.00 O ATOM 0 H GLU A 50 -10.979 -7.456 -0.884 1.00 1.00 H new ATOM 0 HA GLU A 50 -8.440 -6.103 -1.043 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -8.805 -8.529 -0.409 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -9.287 -8.858 -2.061 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -7.042 -8.059 -2.879 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -6.559 -7.719 -1.229 1.00 1.00 H new ATOM 730 N ILE A 51 -8.101 -5.503 -3.432 1.00 1.00 N ATOM 731 CA ILE A 51 -7.952 -5.009 -4.827 1.00 1.00 C ATOM 732 C ILE A 51 -6.964 -5.887 -5.577 1.00 1.00 C ATOM 733 O ILE A 51 -7.205 -6.291 -6.714 1.00 1.00 O ATOM 734 CB ILE A 51 -7.462 -3.526 -4.829 1.00 1.00 C ATOM 735 CG1 ILE A 51 -8.447 -2.654 -3.986 1.00 1.00 C ATOM 736 CG2 ILE A 51 -7.411 -2.981 -6.287 1.00 1.00 C ATOM 737 CD1 ILE A 51 -7.891 -1.231 -3.785 1.00 1.00 C ATOM 0 H ILE A 51 -7.381 -5.173 -2.789 1.00 1.00 H new ATOM 0 HA ILE A 51 -8.921 -5.053 -5.324 1.00 1.00 H new ATOM 0 HB ILE A 51 -6.463 -3.481 -4.396 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -9.414 -2.603 -4.487 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -8.615 -3.123 -3.017 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -7.068 -1.946 -6.277 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -6.723 -3.586 -6.878 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -8.406 -3.029 -6.728 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -8.596 -0.645 -3.195 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -6.936 -1.284 -3.262 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -7.747 -0.756 -4.756 1.00 1.00 H new ATOM 749 N GLY A 52 -5.838 -6.171 -4.931 1.00 1.00 N ATOM 750 CA GLY A 52 -4.801 -7.000 -5.537 1.00 1.00 C ATOM 751 C GLY A 52 -3.643 -7.207 -4.574 1.00 1.00 C ATOM 752 O GLY A 52 -3.526 -6.519 -3.559 1.00 1.00 O ATOM 0 H GLY A 52 -5.620 -5.841 -3.991 1.00 1.00 H new ATOM 0 HA2 GLY A 52 -5.221 -7.965 -5.821 1.00 1.00 H new ATOM 0 HA3 GLY A 52 -4.440 -6.528 -6.451 1.00 1.00 H new ATOM 756 N ARG A 53 -2.786 -8.171 -4.895 1.00 1.00 N ATOM 757 CA ARG A 53 -1.624 -8.487 -4.051 1.00 1.00 C ATOM 758 C ARG A 53 -0.519 -9.150 -4.880 1.00 1.00 C ATOM 759 O ARG A 53 -0.735 -9.569 -6.017 1.00 1.00 O ATOM 760 CB ARG A 53 -2.068 -9.412 -2.893 1.00 1.00 C ATOM 761 CG ARG A 53 -2.738 -10.691 -3.444 1.00 1.00 C ATOM 762 CD ARG A 53 -3.168 -11.607 -2.285 1.00 1.00 C ATOM 763 NE ARG A 53 -3.798 -12.820 -2.817 1.00 1.00 N ATOM 764 CZ ARG A 53 -4.242 -13.799 -2.021 1.00 1.00 C ATOM 765 NH1 ARG A 53 -4.118 -13.709 -0.720 1.00 1.00 N ATOM 766 NH2 ARG A 53 -4.801 -14.854 -2.545 1.00 1.00 N ATOM 0 H ARG A 53 -2.868 -8.750 -5.731 1.00 1.00 H new ATOM 0 HA ARG A 53 -1.221 -7.563 -3.636 1.00 1.00 H new ATOM 0 HB2 ARG A 53 -1.205 -9.681 -2.284 1.00 1.00 H new ATOM 0 HB3 ARG A 53 -2.764 -8.882 -2.243 1.00 1.00 H new ATOM 0 HG2 ARG A 53 -3.606 -10.425 -4.048 1.00 1.00 H new ATOM 0 HG3 ARG A 53 -2.045 -11.221 -4.098 1.00 1.00 H new ATOM 0 HD2 ARG A 53 -2.302 -11.872 -1.679 1.00 1.00 H new ATOM 0 HD3 ARG A 53 -3.865 -11.081 -1.633 1.00 1.00 H new ATOM 0 HE ARG A 53 -3.901 -12.920 -3.827 1.00 1.00 H new ATOM 0 HH11 ARG A 53 -3.680 -12.887 -0.305 1.00 1.00 H new ATOM 0 HH12 ARG A 53 -4.460 -14.461 -0.122 1.00 1.00 H new ATOM 0 HH21 ARG A 53 -4.898 -14.930 -3.558 1.00 1.00 H new ATOM 0 HH22 ARG A 53 -5.141 -15.603 -1.942 1.00 1.00 H new ATOM 780 N ASP A 54 0.667 -9.242 -4.287 1.00 1.00 N ATOM 781 CA ASP A 54 1.822 -9.861 -4.964 1.00 1.00 C ATOM 782 C ASP A 54 2.896 -10.258 -3.937 1.00 1.00 C ATOM 783 O ASP A 54 3.430 -9.404 -3.230 1.00 1.00 O ATOM 784 CB ASP A 54 2.410 -8.870 -5.997 1.00 1.00 C ATOM 785 CG ASP A 54 3.532 -9.528 -6.814 1.00 1.00 C ATOM 786 OD1 ASP A 54 3.250 -10.506 -7.487 1.00 1.00 O ATOM 787 OD2 ASP A 54 4.653 -9.043 -6.756 1.00 1.00 O ATOM 0 H ASP A 54 0.862 -8.901 -3.346 1.00 1.00 H new ATOM 0 HA ASP A 54 1.490 -10.762 -5.480 1.00 1.00 H new ATOM 0 HB2 ASP A 54 1.621 -8.526 -6.666 1.00 1.00 H new ATOM 0 HB3 ASP A 54 2.797 -7.990 -5.483 1.00 1.00 H new ATOM 792 N THR A 55 3.210 -11.547 -3.879 1.00 1.00 N ATOM 793 CA THR A 55 4.226 -12.043 -2.932 1.00 1.00 C ATOM 794 C THR A 55 5.624 -11.671 -3.439 1.00 1.00 C ATOM 795 O THR A 55 5.954 -11.901 -4.603 1.00 1.00 O ATOM 796 CB THR A 55 4.096 -13.582 -2.766 1.00 1.00 C ATOM 797 OG1 THR A 55 2.744 -13.896 -2.460 1.00 1.00 O ATOM 798 CG2 THR A 55 4.991 -14.095 -1.617 1.00 1.00 C ATOM 0 H THR A 55 2.787 -12.267 -4.465 1.00 1.00 H new ATOM 0 HA THR A 55 4.069 -11.580 -1.958 1.00 1.00 H new ATOM 0 HB THR A 55 4.410 -14.059 -3.695 1.00 1.00 H new ATOM 0 HG1 THR A 55 2.649 -14.866 -2.355 1.00 1.00 H new ATOM 0 HG21 THR A 55 4.880 -15.175 -1.524 1.00 1.00 H new ATOM 0 HG22 THR A 55 6.032 -13.855 -1.832 1.00 1.00 H new ATOM 0 HG23 THR A 55 4.694 -13.618 -0.683 1.00 1.00 H new ATOM 806 N ILE A 56 6.439 -11.106 -2.555 1.00 1.00 N ATOM 807 CA ILE A 56 7.804 -10.691 -2.918 1.00 1.00 C ATOM 808 C ILE A 56 8.723 -11.911 -2.886 1.00 1.00 C ATOM 809 O ILE A 56 8.459 -12.884 -2.180 1.00 1.00 O ATOM 810 CB ILE A 56 8.294 -9.580 -1.930 1.00 1.00 C ATOM 811 CG1 ILE A 56 7.296 -8.363 -1.970 1.00 1.00 C ATOM 812 CG2 ILE A 56 9.725 -9.086 -2.330 1.00 1.00 C ATOM 813 CD1 ILE A 56 7.539 -7.403 -0.787 1.00 1.00 C ATOM 0 H ILE A 56 6.187 -10.922 -1.584 1.00 1.00 H new ATOM 0 HA ILE A 56 7.818 -10.275 -3.926 1.00 1.00 H new ATOM 0 HB ILE A 56 8.330 -9.998 -0.924 1.00 1.00 H new ATOM 0 HG12 ILE A 56 7.414 -7.823 -2.910 1.00 1.00 H new ATOM 0 HG13 ILE A 56 6.270 -8.730 -1.939 1.00 1.00 H new ATOM 0 HG21 ILE A 56 10.051 -8.314 -1.633 1.00 1.00 H new ATOM 0 HG22 ILE A 56 10.422 -9.923 -2.296 1.00 1.00 H new ATOM 0 HG23 ILE A 56 9.699 -8.676 -3.340 1.00 1.00 H new ATOM 0 HD11 ILE A 56 6.835 -6.573 -0.842 1.00 1.00 H new ATOM 0 HD12 ILE A 56 7.396 -7.939 0.152 1.00 1.00 H new ATOM 0 HD13 ILE A 56 8.558 -7.018 -0.834 1.00 1.00 H new ATOM 825 N SER A 57 9.814 -11.840 -3.642 1.00 1.00 N ATOM 826 CA SER A 57 10.760 -12.964 -3.697 1.00 1.00 C ATOM 827 C SER A 57 11.416 -13.163 -2.335 1.00 1.00 C ATOM 828 O SER A 57 11.430 -14.262 -1.780 1.00 1.00 O ATOM 829 CB SER A 57 11.840 -12.665 -4.747 1.00 1.00 C ATOM 830 OG SER A 57 12.516 -11.474 -4.380 1.00 1.00 O ATOM 0 H SER A 57 10.068 -11.036 -4.216 1.00 1.00 H new ATOM 0 HA SER A 57 10.223 -13.873 -3.968 1.00 1.00 H new ATOM 0 HB2 SER A 57 12.544 -13.494 -4.811 1.00 1.00 H new ATOM 0 HB3 SER A 57 11.388 -12.554 -5.733 1.00 1.00 H new ATOM 0 HG SER A 57 13.210 -11.274 -5.043 1.00 1.00 H new ATOM 836 N ARG A 58 11.962 -12.075 -1.804 1.00 1.00 N ATOM 837 CA ARG A 58 12.630 -12.106 -0.498 1.00 1.00 C ATOM 838 C ARG A 58 13.102 -10.694 -0.114 1.00 1.00 C ATOM 839 O ARG A 58 13.521 -9.907 -0.962 1.00 1.00 O ATOM 840 CB ARG A 58 13.849 -13.075 -0.529 1.00 1.00 C ATOM 841 CG ARG A 58 14.769 -12.729 -1.724 1.00 1.00 C ATOM 842 CD ARG A 58 15.973 -13.677 -1.760 1.00 1.00 C ATOM 843 NE ARG A 58 15.503 -15.050 -1.934 1.00 1.00 N ATOM 844 CZ ARG A 58 16.334 -16.095 -1.924 1.00 1.00 C ATOM 845 NH1 ARG A 58 17.620 -15.923 -1.756 1.00 1.00 N ATOM 846 NH2 ARG A 58 15.856 -17.296 -2.079 1.00 1.00 N ATOM 0 H ARG A 58 11.958 -11.159 -2.253 1.00 1.00 H new ATOM 0 HA ARG A 58 11.916 -12.463 0.245 1.00 1.00 H new ATOM 0 HB2 ARG A 58 14.407 -13.000 0.404 1.00 1.00 H new ATOM 0 HB3 ARG A 58 13.503 -14.105 -0.612 1.00 1.00 H new ATOM 0 HG2 ARG A 58 14.210 -12.805 -2.656 1.00 1.00 H new ATOM 0 HG3 ARG A 58 15.112 -11.698 -1.641 1.00 1.00 H new ATOM 0 HD2 ARG A 58 16.641 -13.403 -2.576 1.00 1.00 H new ATOM 0 HD3 ARG A 58 16.546 -13.591 -0.837 1.00 1.00 H new ATOM 0 HE ARG A 58 14.505 -15.216 -2.068 1.00 1.00 H new ATOM 0 HH11 ARG A 58 17.997 -14.983 -1.631 1.00 1.00 H new ATOM 0 HH12 ARG A 58 18.246 -16.728 -1.750 1.00 1.00 H new ATOM 0 HH21 ARG A 58 14.853 -17.433 -2.207 1.00 1.00 H new ATOM 0 HH22 ARG A 58 16.484 -18.100 -2.073 1.00 1.00 H new ATOM 860 N ILE A 59 13.052 -10.402 1.182 1.00 1.00 N ATOM 861 CA ILE A 59 13.492 -9.067 1.690 1.00 1.00 C ATOM 862 C ILE A 59 14.757 -9.211 2.598 1.00 1.00 C ATOM 863 O ILE A 59 14.640 -9.856 3.640 1.00 1.00 O ATOM 864 CB ILE A 59 12.331 -8.390 2.490 1.00 1.00 C ATOM 865 CG1 ILE A 59 11.050 -8.331 1.597 1.00 1.00 C ATOM 866 CG2 ILE A 59 12.756 -6.947 2.904 1.00 1.00 C ATOM 867 CD1 ILE A 59 9.843 -7.771 2.379 1.00 1.00 C ATOM 0 H ILE A 59 12.721 -11.044 1.902 1.00 1.00 H new ATOM 0 HA ILE A 59 13.750 -8.440 0.837 1.00 1.00 H new ATOM 0 HB ILE A 59 12.117 -8.971 3.387 1.00 1.00 H new ATOM 0 HG12 ILE A 59 11.241 -7.706 0.724 1.00 1.00 H new ATOM 0 HG13 ILE A 59 10.815 -9.330 1.229 1.00 1.00 H new ATOM 0 HG21 ILE A 59 11.947 -6.475 3.461 1.00 1.00 H new ATOM 0 HG22 ILE A 59 13.647 -6.996 3.529 1.00 1.00 H new ATOM 0 HG23 ILE A 59 12.971 -6.361 2.011 1.00 1.00 H new ATOM 0 HD11 ILE A 59 8.969 -7.744 1.728 1.00 1.00 H new ATOM 0 HD12 ILE A 59 9.637 -8.411 3.237 1.00 1.00 H new ATOM 0 HD13 ILE A 59 10.070 -6.762 2.725 1.00 1.00 H new ATOM 879 N PRO A 60 15.883 -8.649 2.252 1.00 1.00 N ATOM 880 CA PRO A 60 17.115 -8.780 3.130 1.00 1.00 C ATOM 881 C PRO A 60 17.011 -7.922 4.413 1.00 1.00 C ATOM 882 O PRO A 60 16.196 -7.004 4.499 1.00 1.00 O ATOM 883 CB PRO A 60 18.275 -8.332 2.195 1.00 1.00 C ATOM 884 CG PRO A 60 17.639 -7.300 1.309 1.00 1.00 C ATOM 885 CD PRO A 60 16.207 -7.823 1.036 1.00 1.00 C ATOM 0 HA PRO A 60 17.260 -9.791 3.511 1.00 1.00 H new ATOM 0 HB2 PRO A 60 19.108 -7.915 2.761 1.00 1.00 H new ATOM 0 HB3 PRO A 60 18.669 -9.168 1.617 1.00 1.00 H new ATOM 0 HG2 PRO A 60 17.616 -6.325 1.795 1.00 1.00 H new ATOM 0 HG3 PRO A 60 18.198 -7.180 0.381 1.00 1.00 H new ATOM 0 HD2 PRO A 60 15.500 -7.003 0.910 1.00 1.00 H new ATOM 0 HD3 PRO A 60 16.167 -8.421 0.125 1.00 1.00 H new ATOM 893 N VAL A 61 17.846 -8.243 5.396 1.00 1.00 N ATOM 894 CA VAL A 61 17.851 -7.518 6.687 1.00 1.00 C ATOM 895 C VAL A 61 18.404 -6.101 6.506 1.00 1.00 C ATOM 896 O VAL A 61 19.392 -5.912 5.797 1.00 1.00 O ATOM 897 CB VAL A 61 18.686 -8.300 7.741 1.00 1.00 C ATOM 898 CG1 VAL A 61 18.563 -7.640 9.142 1.00 1.00 C ATOM 899 CG2 VAL A 61 18.174 -9.758 7.820 1.00 1.00 C ATOM 0 H VAL A 61 18.531 -8.997 5.336 1.00 1.00 H new ATOM 0 HA VAL A 61 16.825 -7.441 7.046 1.00 1.00 H new ATOM 0 HB VAL A 61 19.733 -8.284 7.437 1.00 1.00 H new ATOM 0 HG11 VAL A 61 19.155 -8.204 9.863 1.00 1.00 H new ATOM 0 HG12 VAL A 61 18.929 -6.614 9.094 1.00 1.00 H new ATOM 0 HG13 VAL A 61 17.518 -7.638 9.453 1.00 1.00 H new ATOM 0 HG21 VAL A 61 18.757 -10.309 8.558 1.00 1.00 H new ATOM 0 HG22 VAL A 61 17.124 -9.760 8.113 1.00 1.00 H new ATOM 0 HG23 VAL A 61 18.280 -10.234 6.845 1.00 1.00 H new ATOM 909 N GLY A 62 17.766 -5.119 7.135 1.00 1.00 N ATOM 910 CA GLY A 62 18.197 -3.724 7.037 1.00 1.00 C ATOM 911 C GLY A 62 17.873 -3.168 5.665 1.00 1.00 C ATOM 912 O GLY A 62 18.400 -2.128 5.267 1.00 1.00 O ATOM 0 H GLY A 62 16.944 -5.262 7.722 1.00 1.00 H new ATOM 0 HA2 GLY A 62 17.702 -3.129 7.804 1.00 1.00 H new ATOM 0 HA3 GLY A 62 19.269 -3.654 7.221 1.00 1.00 H new ATOM 916 N GLY A 63 16.994 -3.858 4.945 1.00 1.00 N ATOM 917 CA GLY A 63 16.565 -3.461 3.594 1.00 1.00 C ATOM 918 C GLY A 63 15.081 -3.148 3.577 1.00 1.00 C ATOM 919 O GLY A 63 14.437 -3.019 4.620 1.00 1.00 O ATOM 0 H GLY A 63 16.552 -4.715 5.278 1.00 1.00 H new ATOM 0 HA2 GLY A 63 17.130 -2.588 3.269 1.00 1.00 H new ATOM 0 HA3 GLY A 63 16.782 -4.262 2.887 1.00 1.00 H new ATOM 923 N THR A 64 14.536 -3.023 2.371 1.00 1.00 N ATOM 924 CA THR A 64 13.105 -2.719 2.177 1.00 1.00 C ATOM 925 C THR A 64 12.502 -3.651 1.136 1.00 1.00 C ATOM 926 O THR A 64 13.188 -4.467 0.517 1.00 1.00 O ATOM 927 CB THR A 64 12.943 -1.251 1.727 1.00 1.00 C ATOM 928 OG1 THR A 64 13.538 -1.084 0.448 1.00 1.00 O ATOM 929 CG2 THR A 64 13.623 -0.309 2.737 1.00 1.00 C ATOM 0 H THR A 64 15.060 -3.127 1.502 1.00 1.00 H new ATOM 0 HA THR A 64 12.581 -2.867 3.121 1.00 1.00 H new ATOM 0 HB THR A 64 11.882 -1.008 1.675 1.00 1.00 H new ATOM 0 HG1 THR A 64 13.435 -0.153 0.158 1.00 1.00 H new ATOM 0 HG21 THR A 64 13.503 0.724 2.410 1.00 1.00 H new ATOM 0 HG22 THR A 64 13.164 -0.435 3.718 1.00 1.00 H new ATOM 0 HG23 THR A 64 14.685 -0.548 2.800 1.00 1.00 H new ATOM 937 N GLY A 65 11.195 -3.511 0.944 1.00 1.00 N ATOM 938 CA GLY A 65 10.481 -4.351 -0.034 1.00 1.00 C ATOM 939 C GLY A 65 9.020 -3.959 -0.114 1.00 1.00 C ATOM 940 O GLY A 65 8.328 -3.955 0.905 1.00 1.00 O ATOM 0 H GLY A 65 10.609 -2.838 1.439 1.00 1.00 H new ATOM 0 HA2 GLY A 65 10.944 -4.248 -1.015 1.00 1.00 H new ATOM 0 HA3 GLY A 65 10.566 -5.400 0.250 1.00 1.00 H new ATOM 944 N LEU A 66 8.544 -3.634 -1.312 1.00 1.00 N ATOM 945 CA LEU A 66 7.142 -3.235 -1.526 1.00 1.00 C ATOM 946 C LEU A 66 6.561 -3.982 -2.718 1.00 1.00 C ATOM 947 O LEU A 66 7.275 -4.493 -3.579 1.00 1.00 O ATOM 948 CB LEU A 66 7.055 -1.706 -1.774 1.00 1.00 C ATOM 949 CG LEU A 66 8.136 -1.223 -2.835 1.00 1.00 C ATOM 950 CD1 LEU A 66 7.530 -0.185 -3.808 1.00 1.00 C ATOM 951 CD2 LEU A 66 9.345 -0.577 -2.111 1.00 1.00 C ATOM 0 H LEU A 66 9.108 -3.637 -2.162 1.00 1.00 H new ATOM 0 HA LEU A 66 6.568 -3.485 -0.634 1.00 1.00 H new ATOM 0 HB2 LEU A 66 6.057 -1.451 -2.129 1.00 1.00 H new ATOM 0 HB3 LEU A 66 7.205 -1.175 -0.834 1.00 1.00 H new ATOM 0 HG LEU A 66 8.462 -2.097 -3.398 1.00 1.00 H new ATOM 0 HD11 LEU A 66 8.290 0.130 -4.524 1.00 1.00 H new ATOM 0 HD12 LEU A 66 6.692 -0.633 -4.342 1.00 1.00 H new ATOM 0 HD13 LEU A 66 7.181 0.681 -3.245 1.00 1.00 H new ATOM 0 HD21 LEU A 66 10.078 -0.250 -2.848 1.00 1.00 H new ATOM 0 HD22 LEU A 66 9.006 0.282 -1.531 1.00 1.00 H new ATOM 0 HD23 LEU A 66 9.802 -1.307 -1.444 1.00 1.00 H new ATOM 963 N ALA A 67 5.234 -4.026 -2.757 1.00 1.00 N ATOM 964 CA ALA A 67 4.471 -4.688 -3.810 1.00 1.00 C ATOM 965 C ALA A 67 3.964 -3.644 -4.794 1.00 1.00 C ATOM 966 O ALA A 67 3.910 -2.449 -4.508 1.00 1.00 O ATOM 967 CB ALA A 67 3.282 -5.448 -3.184 1.00 1.00 C ATOM 0 H ALA A 67 4.646 -3.594 -2.044 1.00 1.00 H new ATOM 0 HA ALA A 67 5.108 -5.398 -4.337 1.00 1.00 H new ATOM 0 HB1 ALA A 67 2.712 -5.943 -3.970 1.00 1.00 H new ATOM 0 HB2 ALA A 67 3.656 -6.194 -2.483 1.00 1.00 H new ATOM 0 HB3 ALA A 67 2.638 -4.745 -2.656 1.00 1.00 H new ATOM 973 N ARG A 68 3.589 -4.125 -5.975 1.00 1.00 N ATOM 974 CA ARG A 68 3.077 -3.220 -7.036 1.00 1.00 C ATOM 975 C ARG A 68 1.664 -3.634 -7.434 1.00 1.00 C ATOM 976 O ARG A 68 1.427 -4.773 -7.840 1.00 1.00 O ATOM 977 CB ARG A 68 4.024 -3.250 -8.266 1.00 1.00 C ATOM 978 CG ARG A 68 3.656 -2.130 -9.277 1.00 1.00 C ATOM 979 CD ARG A 68 4.582 -2.192 -10.506 1.00 1.00 C ATOM 980 NE ARG A 68 5.967 -1.948 -10.099 1.00 1.00 N ATOM 981 CZ ARG A 68 6.981 -1.950 -10.973 1.00 1.00 C ATOM 982 NH1 ARG A 68 6.765 -2.160 -12.248 1.00 1.00 N ATOM 983 NH2 ARG A 68 8.195 -1.738 -10.549 1.00 1.00 N ATOM 0 H ARG A 68 3.623 -5.111 -6.233 1.00 1.00 H new ATOM 0 HA ARG A 68 3.045 -2.200 -6.652 1.00 1.00 H new ATOM 0 HB2 ARG A 68 5.056 -3.125 -7.938 1.00 1.00 H new ATOM 0 HB3 ARG A 68 3.961 -4.222 -8.755 1.00 1.00 H new ATOM 0 HG2 ARG A 68 2.618 -2.240 -9.590 1.00 1.00 H new ATOM 0 HG3 ARG A 68 3.742 -1.155 -8.797 1.00 1.00 H new ATOM 0 HD2 ARG A 68 4.501 -3.168 -10.984 1.00 1.00 H new ATOM 0 HD3 ARG A 68 4.274 -1.450 -11.242 1.00 1.00 H new ATOM 0 HE ARG A 68 6.166 -1.770 -9.115 1.00 1.00 H new ATOM 0 HH11 ARG A 68 5.816 -2.324 -12.584 1.00 1.00 H new ATOM 0 HH12 ARG A 68 7.546 -2.159 -12.904 1.00 1.00 H new ATOM 0 HH21 ARG A 68 8.367 -1.572 -9.557 1.00 1.00 H new ATOM 0 HH22 ARG A 68 8.973 -1.738 -11.209 1.00 1.00 H new ATOM 997 N VAL A 69 0.730 -2.694 -7.324 1.00 1.00 N ATOM 998 CA VAL A 69 -0.670 -2.945 -7.680 1.00 1.00 C ATOM 999 C VAL A 69 -1.234 -1.717 -8.396 1.00 1.00 C ATOM 1000 O VAL A 69 -0.768 -0.589 -8.233 1.00 1.00 O ATOM 1001 CB VAL A 69 -1.497 -3.284 -6.399 1.00 1.00 C ATOM 1002 CG1 VAL A 69 -1.090 -4.674 -5.841 1.00 1.00 C ATOM 1003 CG2 VAL A 69 -1.253 -2.217 -5.311 1.00 1.00 C ATOM 0 H VAL A 69 0.914 -1.748 -6.991 1.00 1.00 H new ATOM 0 HA VAL A 69 -0.734 -3.801 -8.352 1.00 1.00 H new ATOM 0 HB VAL A 69 -2.553 -3.298 -6.671 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -1.676 -4.894 -4.949 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -1.277 -5.438 -6.595 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -0.030 -4.668 -5.586 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -1.835 -2.464 -4.423 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -0.194 -2.193 -5.056 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -1.558 -1.240 -5.685 1.00 1.00 H new ATOM 1013 N GLN A 70 -2.274 -1.962 -9.187 1.00 1.00 N ATOM 1014 CA GLN A 70 -2.936 -0.893 -9.960 1.00 1.00 C ATOM 1015 C GLN A 70 -4.416 -0.841 -9.612 1.00 1.00 C ATOM 1016 O GLN A 70 -5.059 -1.875 -9.428 1.00 1.00 O ATOM 1017 CB GLN A 70 -2.761 -1.153 -11.482 1.00 1.00 C ATOM 1018 CG GLN A 70 -1.252 -1.307 -11.848 1.00 1.00 C ATOM 1019 CD GLN A 70 -0.704 -2.661 -11.383 1.00 1.00 C ATOM 1020 OE1 GLN A 70 -1.321 -3.696 -11.634 1.00 1.00 O ATOM 1021 NE2 GLN A 70 0.417 -2.713 -10.723 1.00 1.00 N ATOM 0 H GLN A 70 -2.683 -2.887 -9.316 1.00 1.00 H new ATOM 0 HA GLN A 70 -2.477 0.063 -9.707 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -3.303 -2.055 -11.766 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -3.195 -0.329 -12.049 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -1.125 -1.211 -12.926 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -0.679 -0.502 -11.387 1.00 1.00 H new ATOM 0 HE21 GLN A 70 0.927 -1.854 -10.516 1.00 1.00 H new ATOM 0 HE22 GLN A 70 0.785 -3.612 -10.413 1.00 1.00 H new ATOM 1030 N TRP A 71 -4.956 0.371 -9.536 1.00 1.00 N ATOM 1031 CA TRP A 71 -6.380 0.569 -9.222 1.00 1.00 C ATOM 1032 C TRP A 71 -6.942 1.711 -10.073 1.00 1.00 C ATOM 1033 O TRP A 71 -6.320 2.758 -10.252 1.00 1.00 O ATOM 1034 CB TRP A 71 -6.561 0.871 -7.712 1.00 1.00 C ATOM 1035 CG TRP A 71 -8.029 1.019 -7.385 1.00 1.00 C ATOM 1036 CD1 TRP A 71 -8.973 0.062 -7.568 1.00 1.00 C ATOM 1037 CD2 TRP A 71 -8.726 2.178 -6.849 1.00 1.00 C ATOM 1038 NE1 TRP A 71 -10.206 0.575 -7.204 1.00 1.00 N ATOM 1039 CE2 TRP A 71 -10.105 1.876 -6.750 1.00 1.00 C ATOM 1040 CE3 TRP A 71 -8.298 3.454 -6.450 1.00 1.00 C ATOM 1041 CZ2 TRP A 71 -11.026 2.811 -6.280 1.00 1.00 C ATOM 1042 CZ3 TRP A 71 -9.219 4.399 -5.971 1.00 1.00 C ATOM 1043 CH2 TRP A 71 -10.581 4.079 -5.891 1.00 1.00 C ATOM 0 H TRP A 71 -4.435 1.235 -9.686 1.00 1.00 H new ATOM 0 HA TRP A 71 -6.928 -0.344 -9.454 1.00 1.00 H new ATOM 0 HB2 TRP A 71 -6.127 0.067 -7.118 1.00 1.00 H new ATOM 0 HB3 TRP A 71 -6.028 1.785 -7.449 1.00 1.00 H new ATOM 0 HD1 TRP A 71 -8.792 -0.937 -7.937 1.00 1.00 H new ATOM 0 HE1 TRP A 71 -11.082 0.056 -7.264 1.00 1.00 H new ATOM 0 HE3 TRP A 71 -7.251 3.711 -6.512 1.00 1.00 H new ATOM 0 HZ2 TRP A 71 -12.074 2.559 -6.217 1.00 1.00 H new ATOM 0 HZ3 TRP A 71 -8.877 5.376 -5.663 1.00 1.00 H new ATOM 0 HH2 TRP A 71 -11.287 4.811 -5.529 1.00 1.00 H new ATOM 1054 N LYS A 72 -8.147 1.487 -10.587 1.00 1.00 N ATOM 1055 CA LYS A 72 -8.826 2.490 -11.428 1.00 1.00 C ATOM 1056 C LYS A 72 -9.860 3.243 -10.592 1.00 1.00 C ATOM 1057 O LYS A 72 -10.761 2.640 -10.008 1.00 1.00 O ATOM 1058 CB LYS A 72 -9.510 1.792 -12.632 1.00 1.00 C ATOM 1059 CG LYS A 72 -10.081 2.847 -13.616 1.00 1.00 C ATOM 1060 CD LYS A 72 -10.708 2.157 -14.846 1.00 1.00 C ATOM 1061 CE LYS A 72 -11.241 3.222 -15.826 1.00 1.00 C ATOM 1062 NZ LYS A 72 -11.839 2.557 -17.016 1.00 1.00 N ATOM 0 H LYS A 72 -8.678 0.628 -10.442 1.00 1.00 H new ATOM 0 HA LYS A 72 -8.093 3.201 -11.808 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -8.791 1.156 -13.148 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -10.312 1.144 -12.278 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -10.832 3.455 -13.111 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -9.287 3.522 -13.936 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -9.965 1.532 -15.342 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -11.519 1.500 -14.532 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -11.988 3.843 -15.332 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -10.431 3.883 -16.136 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -12.197 3.279 -17.674 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -11.115 1.982 -17.493 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -12.623 1.945 -16.714 1.00 1.00 H new ATOM 1076 N ALA A 73 -9.735 4.566 -10.557 1.00 1.00 N ATOM 1077 CA ALA A 73 -10.671 5.387 -9.792 1.00 1.00 C ATOM 1078 C ALA A 73 -12.032 5.398 -10.500 1.00 1.00 C ATOM 1079 O ALA A 73 -12.103 5.517 -11.722 1.00 1.00 O ATOM 1080 CB ALA A 73 -10.117 6.819 -9.661 1.00 1.00 C ATOM 0 H ALA A 73 -9.005 5.088 -11.042 1.00 1.00 H new ATOM 0 HA ALA A 73 -10.796 4.971 -8.792 1.00 1.00 H new ATOM 0 HB1 ALA A 73 -10.817 7.429 -9.090 1.00 1.00 H new ATOM 0 HB2 ALA A 73 -9.156 6.792 -9.147 1.00 1.00 H new ATOM 0 HB3 ALA A 73 -9.985 7.250 -10.653 1.00 1.00 H new ATOM 1086 N THR A 74 -13.101 5.293 -9.718 1.00 1.00 N ATOM 1087 CA THR A 74 -14.461 5.292 -10.277 1.00 1.00 C ATOM 1088 C THR A 74 -15.490 5.499 -9.173 1.00 1.00 C ATOM 1089 O THR A 74 -15.273 5.112 -8.025 1.00 1.00 O ATOM 1090 CB THR A 74 -14.744 3.958 -11.009 1.00 1.00 C ATOM 1091 OG1 THR A 74 -16.113 3.922 -11.391 1.00 1.00 O ATOM 1092 CG2 THR A 74 -14.444 2.750 -10.098 1.00 1.00 C ATOM 0 H THR A 74 -13.060 5.208 -8.702 1.00 1.00 H new ATOM 0 HA THR A 74 -14.536 6.112 -10.991 1.00 1.00 H new ATOM 0 HB THR A 74 -14.098 3.899 -11.885 1.00 1.00 H new ATOM 0 HG1 THR A 74 -16.301 3.081 -11.857 1.00 1.00 H new ATOM 0 HG21 THR A 74 -14.652 1.826 -10.638 1.00 1.00 H new ATOM 0 HG22 THR A 74 -13.395 2.769 -9.802 1.00 1.00 H new ATOM 0 HG23 THR A 74 -15.073 2.800 -9.209 1.00 1.00 H new ATOM 1254 N GLY A 85 -12.895 12.345 -0.492 1.00 1.00 N ATOM 1255 CA GLY A 85 -12.449 11.594 0.686 1.00 1.00 C ATOM 1256 C GLY A 85 -12.295 10.110 0.364 1.00 1.00 C ATOM 1257 O GLY A 85 -13.153 9.288 0.686 1.00 1.00 O ATOM 0 HA2 GLY A 85 -11.498 11.994 1.038 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -13.167 11.721 1.496 1.00 1.00 H new ATOM 1261 N VAL A 86 -11.174 9.778 -0.270 1.00 1.00 N ATOM 1262 CA VAL A 86 -10.866 8.387 -0.651 1.00 1.00 C ATOM 1263 C VAL A 86 -9.562 7.951 0.058 1.00 1.00 C ATOM 1264 O VAL A 86 -8.579 7.672 -0.629 1.00 1.00 O ATOM 1265 CB VAL A 86 -10.729 8.296 -2.216 1.00 1.00 C ATOM 1266 CG1 VAL A 86 -12.126 8.389 -2.887 1.00 1.00 C ATOM 1267 CG2 VAL A 86 -9.841 9.445 -2.760 1.00 1.00 C ATOM 0 H VAL A 86 -10.455 10.451 -0.536 1.00 1.00 H new ATOM 0 HA VAL A 86 -11.668 7.716 -0.342 1.00 1.00 H new ATOM 0 HB VAL A 86 -10.267 7.338 -2.452 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -12.015 8.325 -3.969 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -12.753 7.569 -2.537 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -12.592 9.339 -2.626 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -9.761 9.361 -3.844 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -10.289 10.405 -2.502 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -8.848 9.378 -2.317 1.00 1.00 H new ATOM 1277 N PRO A 87 -9.544 7.869 1.361 1.00 1.00 N ATOM 1278 CA PRO A 87 -8.316 7.433 2.109 1.00 1.00 C ATOM 1279 C PRO A 87 -7.885 6.009 1.716 1.00 1.00 C ATOM 1280 O PRO A 87 -8.710 5.120 1.508 1.00 1.00 O ATOM 1281 CB PRO A 87 -8.738 7.542 3.614 1.00 1.00 C ATOM 1282 CG PRO A 87 -10.234 7.417 3.573 1.00 1.00 C ATOM 1283 CD PRO A 87 -10.645 8.197 2.322 1.00 1.00 C ATOM 0 HA PRO A 87 -7.443 8.045 1.885 1.00 1.00 H new ATOM 0 HB2 PRO A 87 -8.286 6.753 4.215 1.00 1.00 H new ATOM 0 HB3 PRO A 87 -8.427 8.492 4.050 1.00 1.00 H new ATOM 0 HG2 PRO A 87 -10.544 6.374 3.511 1.00 1.00 H new ATOM 0 HG3 PRO A 87 -10.693 7.833 4.470 1.00 1.00 H new ATOM 0 HD2 PRO A 87 -11.618 7.880 1.948 1.00 1.00 H new ATOM 0 HD3 PRO A 87 -10.710 9.268 2.514 1.00 1.00 H new ATOM 1291 N VAL A 88 -6.573 5.816 1.626 1.00 1.00 N ATOM 1292 CA VAL A 88 -5.993 4.506 1.256 1.00 1.00 C ATOM 1293 C VAL A 88 -5.557 3.762 2.508 1.00 1.00 C ATOM 1294 O VAL A 88 -5.129 4.367 3.489 1.00 1.00 O ATOM 1295 CB VAL A 88 -4.786 4.710 0.299 1.00 1.00 C ATOM 1296 CG1 VAL A 88 -4.267 3.347 -0.234 1.00 1.00 C ATOM 1297 CG2 VAL A 88 -5.230 5.584 -0.895 1.00 1.00 C ATOM 0 H VAL A 88 -5.881 6.544 1.802 1.00 1.00 H new ATOM 0 HA VAL A 88 -6.749 3.913 0.741 1.00 1.00 H new ATOM 0 HB VAL A 88 -3.982 5.198 0.850 1.00 1.00 H new ATOM 0 HG11 VAL A 88 -3.422 3.515 -0.902 1.00 1.00 H new ATOM 0 HG12 VAL A 88 -3.949 2.726 0.604 1.00 1.00 H new ATOM 0 HG13 VAL A 88 -5.065 2.842 -0.778 1.00 1.00 H new ATOM 0 HG21 VAL A 88 -4.388 5.731 -1.571 1.00 1.00 H new ATOM 0 HG22 VAL A 88 -6.041 5.087 -1.428 1.00 1.00 H new ATOM 0 HG23 VAL A 88 -5.575 6.551 -0.529 1.00 1.00 H new ATOM 1307 N TYR A 89 -5.666 2.438 2.463 1.00 1.00 N ATOM 1308 CA TYR A 89 -5.271 1.580 3.594 1.00 1.00 C ATOM 1309 C TYR A 89 -4.470 0.387 3.083 1.00 1.00 C ATOM 1310 O TYR A 89 -4.795 -0.232 2.070 1.00 1.00 O ATOM 1311 CB TYR A 89 -6.521 1.096 4.357 1.00 1.00 C ATOM 1312 CG TYR A 89 -7.251 2.307 4.964 1.00 1.00 C ATOM 1313 CD1 TYR A 89 -6.760 2.908 6.142 1.00 1.00 C ATOM 1314 CD2 TYR A 89 -8.409 2.829 4.359 1.00 1.00 C ATOM 1315 CE1 TYR A 89 -7.419 4.014 6.700 1.00 1.00 C ATOM 1316 CE2 TYR A 89 -9.061 3.931 4.922 1.00 1.00 C ATOM 1317 CZ TYR A 89 -8.566 4.525 6.090 1.00 1.00 C ATOM 1318 OH TYR A 89 -9.209 5.619 6.636 1.00 1.00 O ATOM 0 H TYR A 89 -6.025 1.927 1.656 1.00 1.00 H new ATOM 0 HA TYR A 89 -4.649 2.158 4.278 1.00 1.00 H new ATOM 0 HB2 TYR A 89 -7.186 0.557 3.682 1.00 1.00 H new ATOM 0 HB3 TYR A 89 -6.233 0.399 5.144 1.00 1.00 H new ATOM 0 HD1 TYR A 89 -5.873 2.515 6.616 1.00 1.00 H new ATOM 0 HD2 TYR A 89 -8.796 2.378 3.457 1.00 1.00 H new ATOM 0 HE1 TYR A 89 -7.039 4.470 7.602 1.00 1.00 H new ATOM 0 HE2 TYR A 89 -9.951 4.326 4.454 1.00 1.00 H new ATOM 0 HH TYR A 89 -9.989 5.847 6.088 1.00 1.00 H new ATOM 1328 N ALA A 90 -3.417 0.056 3.826 1.00 1.00 N ATOM 1329 CA ALA A 90 -2.544 -1.068 3.473 1.00 1.00 C ATOM 1330 C ALA A 90 -2.033 -1.738 4.743 1.00 1.00 C ATOM 1331 O ALA A 90 -1.600 -1.076 5.687 1.00 1.00 O ATOM 1332 CB ALA A 90 -1.365 -0.552 2.626 1.00 1.00 C ATOM 0 H ALA A 90 -3.145 0.548 4.677 1.00 1.00 H new ATOM 0 HA ALA A 90 -3.104 -1.801 2.892 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -0.714 -1.386 2.362 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -1.746 -0.087 1.717 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -0.799 0.183 3.199 1.00 1.00 H new ATOM 1338 N VAL A 91 -2.075 -3.067 4.750 1.00 1.00 N ATOM 1339 CA VAL A 91 -1.614 -3.855 5.917 1.00 1.00 C ATOM 1340 C VAL A 91 -0.847 -5.086 5.445 1.00 1.00 C ATOM 1341 O VAL A 91 -1.178 -5.692 4.426 1.00 1.00 O ATOM 1342 CB VAL A 91 -2.829 -4.286 6.793 1.00 1.00 C ATOM 1343 CG1 VAL A 91 -2.339 -4.973 8.099 1.00 1.00 C ATOM 1344 CG2 VAL A 91 -3.681 -3.042 7.158 1.00 1.00 C ATOM 0 H VAL A 91 -2.419 -3.629 3.972 1.00 1.00 H new ATOM 0 HA VAL A 91 -0.952 -3.233 6.520 1.00 1.00 H new ATOM 0 HB VAL A 91 -3.434 -4.992 6.224 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -3.199 -5.268 8.700 1.00 1.00 H new ATOM 0 HG12 VAL A 91 -1.752 -5.856 7.847 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -1.722 -4.277 8.667 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -4.529 -3.349 7.770 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -3.069 -2.333 7.715 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -4.044 -2.569 6.245 1.00 1.00 H new ATOM 1354 N VAL A 92 0.181 -5.453 6.203 1.00 1.00 N ATOM 1355 CA VAL A 92 1.008 -6.622 5.878 1.00 1.00 C ATOM 1356 C VAL A 92 0.454 -7.858 6.597 1.00 1.00 C ATOM 1357 O VAL A 92 -0.040 -7.774 7.722 1.00 1.00 O ATOM 1358 CB VAL A 92 2.483 -6.346 6.301 1.00 1.00 C ATOM 1359 CG1 VAL A 92 2.624 -6.247 7.848 1.00 1.00 C ATOM 1360 CG2 VAL A 92 3.418 -7.461 5.764 1.00 1.00 C ATOM 0 H VAL A 92 0.466 -4.960 7.049 1.00 1.00 H new ATOM 0 HA VAL A 92 0.984 -6.809 4.804 1.00 1.00 H new ATOM 0 HB VAL A 92 2.774 -5.389 5.868 1.00 1.00 H new ATOM 0 HG11 VAL A 92 3.665 -6.054 8.107 1.00 1.00 H new ATOM 0 HG12 VAL A 92 2.001 -5.433 8.219 1.00 1.00 H new ATOM 0 HG13 VAL A 92 2.305 -7.185 8.303 1.00 1.00 H new ATOM 0 HG21 VAL A 92 4.444 -7.253 6.068 1.00 1.00 H new ATOM 0 HG22 VAL A 92 3.107 -8.424 6.170 1.00 1.00 H new ATOM 0 HG23 VAL A 92 3.361 -7.491 4.676 1.00 1.00 H new ATOM 1370 N ASP A 93 0.570 -9.008 5.941 1.00 1.00 N ATOM 1371 CA ASP A 93 0.081 -10.285 6.513 1.00 1.00 C ATOM 1372 C ASP A 93 1.126 -11.409 6.282 1.00 1.00 C ATOM 1373 O ASP A 93 1.021 -12.109 5.275 1.00 1.00 O ATOM 1374 CB ASP A 93 -1.265 -10.643 5.844 1.00 1.00 C ATOM 1375 CG ASP A 93 -2.304 -9.544 6.123 1.00 1.00 C ATOM 1376 OD1 ASP A 93 -2.337 -9.063 7.246 1.00 1.00 O ATOM 1377 OD2 ASP A 93 -3.044 -9.205 5.216 1.00 1.00 O ATOM 0 H ASP A 93 0.994 -9.096 5.017 1.00 1.00 H new ATOM 0 HA ASP A 93 -0.066 -10.180 7.588 1.00 1.00 H new ATOM 0 HB2 ASP A 93 -1.126 -10.758 4.769 1.00 1.00 H new ATOM 0 HB3 ASP A 93 -1.625 -11.599 6.223 1.00 1.00 H new ATOM 1542 N ASN A 105 1.042 -1.636 14.552 1.00 1.00 N ATOM 1543 CA ASN A 105 2.458 -1.248 14.465 1.00 1.00 C ATOM 1544 C ASN A 105 2.937 -1.304 13.001 1.00 1.00 C ATOM 1545 O ASN A 105 4.132 -1.440 12.739 1.00 1.00 O ATOM 1546 CB ASN A 105 3.301 -2.204 15.332 1.00 1.00 C ATOM 1547 CG ASN A 105 2.831 -2.160 16.788 1.00 1.00 C ATOM 1548 OD1 ASN A 105 2.885 -3.172 17.488 1.00 1.00 O ATOM 1549 ND2 ASN A 105 2.376 -1.042 17.291 1.00 1.00 N ATOM 0 HA ASN A 105 2.575 -0.227 14.829 1.00 1.00 H new ATOM 0 HB2 ASN A 105 3.219 -3.221 14.948 1.00 1.00 H new ATOM 0 HB3 ASN A 105 4.353 -1.925 15.274 1.00 1.00 H new ATOM 0 HD21 ASN A 105 2.066 -1.009 18.262 1.00 1.00 H new ATOM 0 HD22 ASN A 105 2.331 -0.203 16.712 1.00 1.00 H new ATOM 1556 N ASN A 106 2.001 -1.185 12.067 1.00 1.00 N ATOM 1557 CA ASN A 106 2.332 -1.215 10.628 1.00 1.00 C ATOM 1558 C ASN A 106 1.133 -0.747 9.789 1.00 1.00 C ATOM 1559 O ASN A 106 0.809 -1.344 8.762 1.00 1.00 O ATOM 1560 CB ASN A 106 2.762 -2.647 10.206 1.00 1.00 C ATOM 1561 CG ASN A 106 3.294 -2.657 8.765 1.00 1.00 C ATOM 1562 OD1 ASN A 106 4.401 -2.179 8.510 1.00 1.00 O ATOM 1563 ND2 ASN A 106 2.575 -3.178 7.806 1.00 1.00 N ATOM 0 H ASN A 106 1.008 -1.067 12.268 1.00 1.00 H new ATOM 0 HA ASN A 106 3.163 -0.533 10.449 1.00 1.00 H new ATOM 0 HB2 ASN A 106 3.532 -3.015 10.885 1.00 1.00 H new ATOM 0 HB3 ASN A 106 1.913 -3.325 10.289 1.00 1.00 H new ATOM 0 HD21 ASN A 106 2.930 -3.188 6.850 1.00 1.00 H new ATOM 0 HD22 ASN A 106 1.658 -3.574 8.014 1.00 1.00 H new ATOM 1570 N VAL A 107 0.497 0.334 10.229 1.00 1.00 N ATOM 1571 CA VAL A 107 -0.675 0.914 9.519 1.00 1.00 C ATOM 1572 C VAL A 107 -0.298 2.267 8.918 1.00 1.00 C ATOM 1573 O VAL A 107 0.402 3.068 9.538 1.00 1.00 O ATOM 1574 CB VAL A 107 -1.875 1.077 10.501 1.00 1.00 C ATOM 1575 CG1 VAL A 107 -1.545 2.080 11.639 1.00 1.00 C ATOM 1576 CG2 VAL A 107 -3.147 1.563 9.746 1.00 1.00 C ATOM 0 H VAL A 107 0.762 0.839 11.075 1.00 1.00 H new ATOM 0 HA VAL A 107 -0.973 0.239 8.717 1.00 1.00 H new ATOM 0 HB VAL A 107 -2.065 0.097 10.939 1.00 1.00 H new ATOM 0 HG11 VAL A 107 -2.403 2.170 12.305 1.00 1.00 H new ATOM 0 HG12 VAL A 107 -0.684 1.720 12.203 1.00 1.00 H new ATOM 0 HG13 VAL A 107 -1.316 3.055 11.209 1.00 1.00 H new ATOM 0 HG21 VAL A 107 -3.971 1.669 10.452 1.00 1.00 H new ATOM 0 HG22 VAL A 107 -2.946 2.526 9.276 1.00 1.00 H new ATOM 0 HG23 VAL A 107 -3.416 0.835 8.981 1.00 1.00 H new ATOM 1586 N PHE A 108 -0.783 2.515 7.706 1.00 1.00 N ATOM 1587 CA PHE A 108 -0.499 3.780 7.010 1.00 1.00 C ATOM 1588 C PHE A 108 -1.677 4.169 6.130 1.00 1.00 C ATOM 1589 O PHE A 108 -2.440 3.319 5.671 1.00 1.00 O ATOM 1590 CB PHE A 108 0.780 3.621 6.156 1.00 1.00 C ATOM 1591 CG PHE A 108 1.942 3.179 7.056 1.00 1.00 C ATOM 1592 CD1 PHE A 108 2.468 4.073 8.010 1.00 1.00 C ATOM 1593 CD2 PHE A 108 2.504 1.884 6.944 1.00 1.00 C ATOM 1594 CE1 PHE A 108 3.531 3.684 8.833 1.00 1.00 C ATOM 1595 CE2 PHE A 108 3.567 1.505 7.774 1.00 1.00 C ATOM 1596 CZ PHE A 108 4.080 2.402 8.716 1.00 1.00 C ATOM 0 H PHE A 108 -1.371 1.867 7.182 1.00 1.00 H new ATOM 0 HA PHE A 108 -0.342 4.570 7.745 1.00 1.00 H new ATOM 0 HB2 PHE A 108 0.616 2.886 5.368 1.00 1.00 H new ATOM 0 HB3 PHE A 108 1.023 4.564 5.666 1.00 1.00 H new ATOM 0 HD1 PHE A 108 2.049 5.064 8.107 1.00 1.00 H new ATOM 0 HD2 PHE A 108 2.112 1.187 6.217 1.00 1.00 H new ATOM 0 HE1 PHE A 108 3.929 4.375 9.561 1.00 1.00 H new ATOM 0 HE2 PHE A 108 3.992 0.516 7.686 1.00 1.00 H new ATOM 0 HZ PHE A 108 4.900 2.105 9.353 1.00 1.00 H new ATOM 1606 N SER A 109 -1.814 5.469 5.893 1.00 1.00 N ATOM 1607 CA SER A 109 -2.905 5.989 5.061 1.00 1.00 C ATOM 1608 C SER A 109 -2.616 7.431 4.658 1.00 1.00 C ATOM 1609 O SER A 109 -2.000 8.195 5.402 1.00 1.00 O ATOM 1610 CB SER A 109 -4.237 5.917 5.836 1.00 1.00 C ATOM 1611 OG SER A 109 -4.509 4.569 6.197 1.00 1.00 O ATOM 0 H SER A 109 -1.187 6.184 6.262 1.00 1.00 H new ATOM 0 HA SER A 109 -2.983 5.380 4.160 1.00 1.00 H new ATOM 0 HB2 SER A 109 -4.183 6.539 6.729 1.00 1.00 H new ATOM 0 HB3 SER A 109 -5.048 6.310 5.222 1.00 1.00 H new ATOM 0 HG SER A 109 -5.439 4.353 5.978 1.00 1.00 H new ATOM 1617 N ARG A 110 -3.066 7.795 3.461 1.00 1.00 N ATOM 1618 CA ARG A 110 -2.856 9.162 2.945 1.00 1.00 C ATOM 1619 C ARG A 110 -4.090 9.630 2.170 1.00 1.00 C ATOM 1620 O ARG A 110 -4.622 8.914 1.322 1.00 1.00 O ATOM 1621 CB ARG A 110 -1.610 9.176 2.034 1.00 1.00 C ATOM 1622 CG ARG A 110 -1.279 10.620 1.571 1.00 1.00 C ATOM 1623 CD ARG A 110 -0.047 10.625 0.655 1.00 1.00 C ATOM 1624 NE ARG A 110 0.324 12.007 0.341 1.00 1.00 N ATOM 1625 CZ ARG A 110 1.362 12.304 -0.449 1.00 1.00 C ATOM 1626 NH1 ARG A 110 2.097 11.352 -0.964 1.00 1.00 N ATOM 1627 NH2 ARG A 110 1.643 13.552 -0.702 1.00 1.00 N ATOM 0 H ARG A 110 -3.574 7.177 2.829 1.00 1.00 H new ATOM 0 HA ARG A 110 -2.698 9.845 3.780 1.00 1.00 H new ATOM 0 HB2 ARG A 110 -0.758 8.757 2.570 1.00 1.00 H new ATOM 0 HB3 ARG A 110 -1.783 8.542 1.165 1.00 1.00 H new ATOM 0 HG2 ARG A 110 -2.133 11.043 1.043 1.00 1.00 H new ATOM 0 HG3 ARG A 110 -1.096 11.253 2.439 1.00 1.00 H new ATOM 0 HD2 ARG A 110 0.784 10.116 1.143 1.00 1.00 H new ATOM 0 HD3 ARG A 110 -0.261 10.077 -0.263 1.00 1.00 H new ATOM 0 HE ARG A 110 -0.227 12.768 0.738 1.00 1.00 H new ATOM 0 HH11 ARG A 110 1.880 10.376 -0.764 1.00 1.00 H new ATOM 0 HH12 ARG A 110 2.887 11.586 -1.565 1.00 1.00 H new ATOM 0 HH21 ARG A 110 1.073 14.295 -0.298 1.00 1.00 H new ATOM 0 HH22 ARG A 110 2.433 13.785 -1.304 1.00 1.00 H new ATOM 1641 N ILE A 111 -4.526 10.851 2.464 1.00 1.00 N ATOM 1642 CA ILE A 111 -5.691 11.429 1.792 1.00 1.00 C ATOM 1643 C ILE A 111 -5.244 11.989 0.433 1.00 1.00 C ATOM 1644 O ILE A 111 -4.367 12.851 0.351 1.00 1.00 O ATOM 1645 CB ILE A 111 -6.325 12.557 2.677 1.00 1.00 C ATOM 1646 CG1 ILE A 111 -6.908 11.948 4.001 1.00 1.00 C ATOM 1647 CG2 ILE A 111 -7.477 13.287 1.908 1.00 1.00 C ATOM 1648 CD1 ILE A 111 -5.818 11.340 4.911 1.00 1.00 C ATOM 0 H ILE A 111 -4.094 11.459 3.160 1.00 1.00 H new ATOM 0 HA ILE A 111 -6.450 10.662 1.637 1.00 1.00 H new ATOM 0 HB ILE A 111 -5.539 13.274 2.914 1.00 1.00 H new ATOM 0 HG12 ILE A 111 -7.441 12.725 4.549 1.00 1.00 H new ATOM 0 HG13 ILE A 111 -7.637 11.178 3.751 1.00 1.00 H new ATOM 0 HG21 ILE A 111 -7.902 14.065 2.542 1.00 1.00 H new ATOM 0 HG22 ILE A 111 -7.079 13.737 0.998 1.00 1.00 H new ATOM 0 HG23 ILE A 111 -8.253 12.568 1.647 1.00 1.00 H new ATOM 0 HD11 ILE A 111 -6.280 10.934 5.811 1.00 1.00 H new ATOM 0 HD12 ILE A 111 -5.302 10.542 4.377 1.00 1.00 H new ATOM 0 HD13 ILE A 111 -5.102 12.114 5.188 1.00 1.00 H new ATOM 1660 N VAL A 112 -5.885 11.509 -0.625 1.00 1.00 N ATOM 1661 CA VAL A 112 -5.570 11.951 -2.005 1.00 1.00 C ATOM 1662 C VAL A 112 -6.595 12.992 -2.450 1.00 1.00 C ATOM 1663 O VAL A 112 -7.795 12.828 -2.230 1.00 1.00 O ATOM 1664 CB VAL A 112 -5.579 10.736 -2.985 1.00 1.00 C ATOM 1665 CG1 VAL A 112 -5.044 11.155 -4.383 1.00 1.00 C ATOM 1666 CG2 VAL A 112 -4.686 9.608 -2.421 1.00 1.00 C ATOM 0 H VAL A 112 -6.629 10.813 -0.569 1.00 1.00 H new ATOM 0 HA VAL A 112 -4.574 12.393 -2.018 1.00 1.00 H new ATOM 0 HB VAL A 112 -6.605 10.384 -3.088 1.00 1.00 H new ATOM 0 HG11 VAL A 112 -5.058 10.294 -5.051 1.00 1.00 H new ATOM 0 HG12 VAL A 112 -5.676 11.943 -4.793 1.00 1.00 H new ATOM 0 HG13 VAL A 112 -4.022 11.522 -4.286 1.00 1.00 H new ATOM 0 HG21 VAL A 112 -4.694 8.761 -3.107 1.00 1.00 H new ATOM 0 HG22 VAL A 112 -3.666 9.974 -2.308 1.00 1.00 H new ATOM 0 HG23 VAL A 112 -5.068 9.293 -1.450 1.00 1.00 H new ATOM 1676 N LYS A 113 -6.113 14.061 -3.077 1.00 1.00 N ATOM 1677 CA LYS A 113 -7.003 15.142 -3.558 1.00 1.00 C ATOM 1678 C LYS A 113 -6.657 15.497 -5.010 1.00 1.00 C ATOM 1679 O LYS A 113 -5.514 15.820 -5.335 1.00 1.00 O ATOM 1680 CB LYS A 113 -6.873 16.389 -2.627 1.00 1.00 C ATOM 1681 CG LYS A 113 -8.074 17.349 -2.824 1.00 1.00 C ATOM 1682 CD LYS A 113 -7.963 18.570 -1.883 1.00 1.00 C ATOM 1683 CE LYS A 113 -9.197 19.475 -2.050 1.00 1.00 C ATOM 1684 NZ LYS A 113 -9.070 20.670 -1.170 1.00 1.00 N ATOM 0 H LYS A 113 -5.123 14.212 -3.268 1.00 1.00 H new ATOM 0 HA LYS A 113 -8.038 14.801 -3.529 1.00 1.00 H new ATOM 0 HB2 LYS A 113 -6.825 16.068 -1.586 1.00 1.00 H new ATOM 0 HB3 LYS A 113 -5.942 16.914 -2.842 1.00 1.00 H new ATOM 0 HG2 LYS A 113 -8.110 17.685 -3.860 1.00 1.00 H new ATOM 0 HG3 LYS A 113 -9.005 16.818 -2.629 1.00 1.00 H new ATOM 0 HD2 LYS A 113 -7.883 18.236 -0.848 1.00 1.00 H new ATOM 0 HD3 LYS A 113 -7.056 19.132 -2.108 1.00 1.00 H new ATOM 0 HE2 LYS A 113 -9.293 19.787 -3.090 1.00 1.00 H new ATOM 0 HE3 LYS A 113 -10.102 18.922 -1.799 1.00 1.00 H new ATOM 0 HZ1 LYS A 113 -9.906 21.278 -1.287 1.00 1.00 H new ATOM 0 HZ2 LYS A 113 -9.000 20.365 -0.178 1.00 1.00 H new ATOM 0 HZ3 LYS A 113 -8.216 21.203 -1.430 1.00 1.00 H new ATOM 1698 N VAL A 114 -7.666 15.440 -5.874 1.00 1.00 N ATOM 1699 CA VAL A 114 -7.514 15.738 -7.311 1.00 1.00 C ATOM 1700 C VAL A 114 -8.560 16.774 -7.747 1.00 1.00 C ATOM 1701 O VAL A 114 -9.734 16.702 -7.384 1.00 1.00 O ATOM 1702 CB VAL A 114 -7.652 14.423 -8.136 1.00 1.00 C ATOM 1703 CG1 VAL A 114 -6.503 13.455 -7.761 1.00 1.00 C ATOM 1704 CG2 VAL A 114 -9.011 13.735 -7.848 1.00 1.00 C ATOM 0 H VAL A 114 -8.617 15.186 -5.606 1.00 1.00 H new ATOM 0 HA VAL A 114 -6.525 16.158 -7.493 1.00 1.00 H new ATOM 0 HB VAL A 114 -7.601 14.672 -9.196 1.00 1.00 H new ATOM 0 HG11 VAL A 114 -6.599 12.535 -8.338 1.00 1.00 H new ATOM 0 HG12 VAL A 114 -5.545 13.924 -7.984 1.00 1.00 H new ATOM 0 HG13 VAL A 114 -6.555 13.223 -6.697 1.00 1.00 H new ATOM 0 HG21 VAL A 114 -9.087 12.819 -8.434 1.00 1.00 H new ATOM 0 HG22 VAL A 114 -9.079 13.494 -6.787 1.00 1.00 H new ATOM 0 HG23 VAL A 114 -9.824 14.408 -8.120 1.00 1.00 H new ATOM 1714 N LEU A 115 -8.108 17.734 -8.549 1.00 1.00 N ATOM 1715 CA LEU A 115 -8.982 18.816 -9.057 1.00 1.00 C ATOM 1716 C LEU A 115 -8.919 18.864 -10.588 1.00 1.00 C ATOM 1717 O LEU A 115 -7.844 18.957 -11.180 1.00 1.00 O ATOM 1718 CB LEU A 115 -8.523 20.166 -8.448 1.00 1.00 C ATOM 1719 CG LEU A 115 -8.617 20.148 -6.882 1.00 1.00 C ATOM 1720 CD1 LEU A 115 -8.002 21.449 -6.309 1.00 1.00 C ATOM 1721 CD2 LEU A 115 -10.099 20.025 -6.397 1.00 1.00 C ATOM 0 H LEU A 115 -7.141 17.795 -8.868 1.00 1.00 H new ATOM 0 HA LEU A 115 -10.015 18.625 -8.764 1.00 1.00 H new ATOM 0 HB2 LEU A 115 -7.496 20.373 -8.750 1.00 1.00 H new ATOM 0 HB3 LEU A 115 -9.140 20.973 -8.842 1.00 1.00 H new ATOM 0 HG LEU A 115 -8.065 19.279 -6.524 1.00 1.00 H new ATOM 0 HD11 LEU A 115 -8.068 21.434 -5.221 1.00 1.00 H new ATOM 0 HD12 LEU A 115 -6.956 21.519 -6.608 1.00 1.00 H new ATOM 0 HD13 LEU A 115 -8.548 22.310 -6.694 1.00 1.00 H new ATOM 0 HD21 LEU A 115 -10.126 20.016 -5.307 1.00 1.00 H new ATOM 0 HD22 LEU A 115 -10.674 20.874 -6.767 1.00 1.00 H new ATOM 0 HD23 LEU A 115 -10.531 19.100 -6.778 1.00 1.00 H new