USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 606 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 72 SER OG : rot -78:sc= 1.16 USER MOD Set 1.2: A 97 THR OG1 : rot -158:sc= 0.844 USER MOD Set 2.1: A 25 THR OG1 : rot -150:sc= -0.513 USER MOD Set 2.2: A 64 SER OG : rot 28:sc= 0.789 USER MOD Set 3.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 23 SER OG : rot 180:sc= -0.538 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -160:sc= -0.341 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 1.84 K(o=1.8,f=-5.3!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.694 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 152:sc= 0.141 USER MOD Single : A 42 GLN : amide:sc= -0.0346 X(o=-0.035,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.669 K(o=-0.67,f=-4.8!) USER MOD Single : A 60 THR OG1 : rot 118:sc= 0.0411 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.702 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -1.1 K(o=-1.1,f=-12!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 123:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 15.801 -15.340 2.045 1.00 0.00 N ATOM 60 CA GLY A 7 15.880 -14.147 1.221 1.00 0.00 C ATOM 61 C GLY A 7 16.262 -12.916 2.019 1.00 0.00 C ATOM 62 O GLY A 7 16.823 -13.007 3.111 1.00 0.00 O ATOM 0 HA2 GLY A 7 16.612 -14.304 0.429 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.918 -13.979 0.737 1.00 0.00 H new ATOM 66 N PRO A 8 15.958 -11.732 1.468 1.00 0.00 N ATOM 67 CA PRO A 8 16.265 -10.454 2.119 1.00 0.00 C ATOM 68 C PRO A 8 15.405 -10.211 3.355 1.00 0.00 C ATOM 69 O PRO A 8 14.498 -10.988 3.656 1.00 0.00 O ATOM 70 CB PRO A 8 15.948 -9.420 1.036 1.00 0.00 C ATOM 71 CG PRO A 8 14.944 -10.085 0.159 1.00 0.00 C ATOM 72 CD PRO A 8 15.289 -11.548 0.169 1.00 0.00 C ATOM 0 HA PRO A 8 17.294 -10.416 2.477 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.549 -8.503 1.469 1.00 0.00 H new ATOM 0 HB3 PRO A 8 16.842 -9.146 0.477 1.00 0.00 H new ATOM 0 HG2 PRO A 8 13.932 -9.920 0.530 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.982 -9.682 -0.853 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.399 -12.171 0.084 1.00 0.00 H new ATOM 0 HD3 PRO A 8 15.944 -11.812 -0.661 1.00 0.00 H new ATOM 80 N LYS A 9 15.696 -9.129 4.068 1.00 0.00 N ATOM 81 CA LYS A 9 14.949 -8.782 5.271 1.00 0.00 C ATOM 82 C LYS A 9 13.798 -7.836 4.943 1.00 0.00 C ATOM 83 O LYS A 9 13.837 -7.088 3.967 1.00 0.00 O ATOM 84 CB LYS A 9 15.876 -8.135 6.303 1.00 0.00 C ATOM 85 CG LYS A 9 16.991 -9.050 6.777 1.00 0.00 C ATOM 86 CD LYS A 9 16.545 -9.914 7.945 1.00 0.00 C ATOM 87 CE LYS A 9 15.744 -11.118 7.474 1.00 0.00 C ATOM 88 NZ LYS A 9 15.854 -12.262 8.421 1.00 0.00 N ATOM 0 H LYS A 9 16.444 -8.477 3.834 1.00 0.00 H new ATOM 0 HA LYS A 9 14.535 -9.700 5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.315 -7.235 5.871 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.285 -7.821 7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.314 -9.688 5.954 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.852 -8.452 7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.418 -10.252 8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 9 15.941 -9.319 8.629 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.697 -10.837 7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.096 -11.426 6.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.294 -13.063 8.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 16.850 -12.547 8.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.494 -11.976 9.354 1.00 0.00 H new ATOM 102 N PRO A 10 12.749 -7.868 5.778 1.00 0.00 N ATOM 103 CA PRO A 10 11.568 -7.019 5.598 1.00 0.00 C ATOM 104 C PRO A 10 11.864 -5.548 5.871 1.00 0.00 C ATOM 105 O PRO A 10 12.695 -5.203 6.712 1.00 0.00 O ATOM 106 CB PRO A 10 10.577 -7.564 6.630 1.00 0.00 C ATOM 107 CG PRO A 10 11.430 -8.191 7.679 1.00 0.00 C ATOM 108 CD PRO A 10 12.634 -8.736 6.963 1.00 0.00 C ATOM 0 HA PRO A 10 11.198 -7.050 4.573 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.960 -6.767 7.045 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.900 -8.292 6.183 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.722 -7.460 8.433 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.892 -8.985 8.197 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.528 -8.687 7.585 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.497 -9.781 6.684 1.00 0.00 H new ATOM 116 N PRO A 11 11.171 -4.659 5.144 1.00 0.00 N ATOM 117 CA PRO A 11 11.343 -3.211 5.291 1.00 0.00 C ATOM 118 C PRO A 11 10.801 -2.694 6.620 1.00 0.00 C ATOM 119 O PRO A 11 9.888 -3.283 7.199 1.00 0.00 O ATOM 120 CB PRO A 11 10.533 -2.637 4.125 1.00 0.00 C ATOM 121 CG PRO A 11 9.511 -3.678 3.825 1.00 0.00 C ATOM 122 CD PRO A 11 10.165 -4.999 4.124 1.00 0.00 C ATOM 0 HA PRO A 11 12.394 -2.923 5.281 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.066 -1.690 4.396 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.167 -2.444 3.260 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.619 -3.537 4.436 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.195 -3.626 2.783 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.446 -5.728 4.497 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.624 -5.430 3.235 1.00 0.00 H new ATOM 130 N ILE A 12 11.370 -1.592 7.097 1.00 0.00 N ATOM 131 CA ILE A 12 10.942 -0.997 8.357 1.00 0.00 C ATOM 132 C ILE A 12 10.482 0.443 8.156 1.00 0.00 C ATOM 133 O ILE A 12 10.536 0.974 7.047 1.00 0.00 O ATOM 134 CB ILE A 12 12.072 -1.022 9.404 1.00 0.00 C ATOM 135 CG1 ILE A 12 13.199 -0.072 8.992 1.00 0.00 C ATOM 136 CG2 ILE A 12 12.602 -2.438 9.577 1.00 0.00 C ATOM 137 CD1 ILE A 12 14.262 0.099 10.054 1.00 0.00 C ATOM 0 H ILE A 12 12.128 -1.094 6.630 1.00 0.00 H new ATOM 0 HA ILE A 12 10.107 -1.595 8.721 1.00 0.00 H new ATOM 0 HB ILE A 12 11.670 -0.686 10.360 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.664 -0.447 8.080 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.773 0.903 8.755 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.400 -2.440 10.320 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.795 -3.090 9.910 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.992 -2.799 8.625 1.00 0.00 H new ATOM 0 HD11 ILE A 12 15.029 0.785 9.694 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.810 0.503 10.960 1.00 0.00 H new ATOM 0 HD13 ILE A 12 14.715 -0.868 10.275 1.00 0.00 H new ATOM 149 N ASP A 13 10.031 1.070 9.237 1.00 0.00 N ATOM 150 CA ASP A 13 9.564 2.450 9.181 1.00 0.00 C ATOM 151 C ASP A 13 8.372 2.583 8.240 1.00 0.00 C ATOM 152 O ASP A 13 8.207 3.603 7.569 1.00 0.00 O ATOM 153 CB ASP A 13 10.694 3.376 8.726 1.00 0.00 C ATOM 154 CG ASP A 13 10.543 4.784 9.267 1.00 0.00 C ATOM 155 OD1 ASP A 13 9.761 5.562 8.683 1.00 0.00 O ATOM 156 OD2 ASP A 13 11.207 5.107 10.275 1.00 0.00 O ATOM 0 H ASP A 13 9.979 0.644 10.162 1.00 0.00 H new ATOM 0 HA ASP A 13 9.247 2.741 10.183 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.650 2.965 9.052 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.716 3.409 7.637 1.00 0.00 H new ATOM 161 N LEU A 14 7.543 1.545 8.193 1.00 0.00 N ATOM 162 CA LEU A 14 6.365 1.545 7.333 1.00 0.00 C ATOM 163 C LEU A 14 5.263 2.422 7.917 1.00 0.00 C ATOM 164 O LEU A 14 4.658 2.082 8.934 1.00 0.00 O ATOM 165 CB LEU A 14 5.849 0.118 7.142 1.00 0.00 C ATOM 166 CG LEU A 14 5.139 -0.168 5.818 1.00 0.00 C ATOM 167 CD1 LEU A 14 6.108 -0.037 4.653 1.00 0.00 C ATOM 168 CD2 LEU A 14 4.511 -1.554 5.839 1.00 0.00 C ATOM 0 H LEU A 14 7.665 0.693 8.740 1.00 0.00 H new ATOM 0 HA LEU A 14 6.653 1.954 6.365 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.692 -0.567 7.235 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.162 -0.110 7.957 1.00 0.00 H new ATOM 0 HG LEU A 14 4.345 0.567 5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.585 -0.244 3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.510 0.976 4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.924 -0.749 4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.010 -1.741 4.889 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.288 -2.303 5.993 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.785 -1.612 6.650 1.00 0.00 H new ATOM 180 N VAL A 15 5.006 3.553 7.267 1.00 0.00 N ATOM 181 CA VAL A 15 3.974 4.478 7.720 1.00 0.00 C ATOM 182 C VAL A 15 3.353 5.226 6.546 1.00 0.00 C ATOM 183 O VAL A 15 3.949 5.326 5.474 1.00 0.00 O ATOM 184 CB VAL A 15 4.538 5.499 8.726 1.00 0.00 C ATOM 185 CG1 VAL A 15 3.458 5.942 9.700 1.00 0.00 C ATOM 186 CG2 VAL A 15 5.730 4.913 9.468 1.00 0.00 C ATOM 0 H VAL A 15 5.499 3.851 6.425 1.00 0.00 H new ATOM 0 HA VAL A 15 3.207 3.880 8.212 1.00 0.00 H new ATOM 0 HB VAL A 15 4.878 6.376 8.175 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.875 6.663 10.403 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.639 6.404 9.149 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.084 5.077 10.247 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.116 5.648 10.175 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.419 4.019 10.008 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.511 4.652 8.754 1.00 0.00 H new ATOM 196 N VAL A 16 2.150 5.753 6.757 1.00 0.00 N ATOM 197 CA VAL A 16 1.448 6.494 5.716 1.00 0.00 C ATOM 198 C VAL A 16 1.603 7.998 5.914 1.00 0.00 C ATOM 199 O VAL A 16 1.454 8.509 7.025 1.00 0.00 O ATOM 200 CB VAL A 16 -0.051 6.143 5.691 1.00 0.00 C ATOM 201 CG1 VAL A 16 -0.716 6.726 4.454 1.00 0.00 C ATOM 202 CG2 VAL A 16 -0.245 4.635 5.750 1.00 0.00 C ATOM 0 H VAL A 16 1.642 5.680 7.639 1.00 0.00 H new ATOM 0 HA VAL A 16 1.897 6.207 4.765 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.524 6.583 6.569 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.775 6.467 4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.607 7.811 4.459 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.243 6.319 3.560 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.310 4.404 5.731 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.242 4.172 4.892 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.194 4.247 6.669 1.00 0.00 H new ATOM 212 N THR A 17 1.903 8.705 4.828 1.00 0.00 N ATOM 213 CA THR A 17 2.079 10.150 4.882 1.00 0.00 C ATOM 214 C THR A 17 0.953 10.869 4.147 1.00 0.00 C ATOM 215 O THR A 17 0.357 11.807 4.673 1.00 0.00 O ATOM 216 CB THR A 17 3.428 10.575 4.272 1.00 0.00 C ATOM 217 OG1 THR A 17 3.619 11.984 4.439 1.00 0.00 O ATOM 218 CG2 THR A 17 3.489 10.221 2.793 1.00 0.00 C ATOM 0 H THR A 17 2.029 8.299 3.901 1.00 0.00 H new ATOM 0 HA THR A 17 2.060 10.431 5.935 1.00 0.00 H new ATOM 0 HB THR A 17 4.222 10.037 4.791 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.479 12.246 4.050 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.451 10.531 2.384 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.373 9.144 2.672 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.687 10.734 2.263 1.00 0.00 H new ATOM 226 N GLU A 18 0.668 10.421 2.928 1.00 0.00 N ATOM 227 CA GLU A 18 -0.387 11.022 2.121 1.00 0.00 C ATOM 228 C GLU A 18 -1.478 10.004 1.805 1.00 0.00 C ATOM 229 O GLU A 18 -1.199 8.824 1.588 1.00 0.00 O ATOM 230 CB GLU A 18 0.192 11.586 0.822 1.00 0.00 C ATOM 231 CG GLU A 18 0.903 12.917 0.999 1.00 0.00 C ATOM 232 CD GLU A 18 1.334 13.527 -0.320 1.00 0.00 C ATOM 233 OE1 GLU A 18 2.178 12.918 -1.009 1.00 0.00 O ATOM 234 OE2 GLU A 18 0.827 14.616 -0.664 1.00 0.00 O ATOM 0 H GLU A 18 1.153 9.644 2.478 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.829 11.835 2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.892 10.863 0.402 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.614 11.708 0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.242 13.612 1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.778 12.776 1.633 1.00 0.00 H new ATOM 241 N THR A 19 -2.724 10.467 1.782 1.00 0.00 N ATOM 242 CA THR A 19 -3.858 9.598 1.494 1.00 0.00 C ATOM 243 C THR A 19 -4.881 10.303 0.612 1.00 0.00 C ATOM 244 O THR A 19 -5.319 11.413 0.915 1.00 0.00 O ATOM 245 CB THR A 19 -4.549 9.130 2.789 1.00 0.00 C ATOM 246 OG1 THR A 19 -4.529 10.180 3.762 1.00 0.00 O ATOM 247 CG2 THR A 19 -3.863 7.896 3.353 1.00 0.00 C ATOM 0 H THR A 19 -2.973 11.440 1.960 1.00 0.00 H new ATOM 0 HA THR A 19 -3.465 8.729 0.966 1.00 0.00 H new ATOM 0 HB THR A 19 -5.582 8.875 2.552 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.972 9.875 4.581 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.369 7.584 4.267 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.906 7.089 2.621 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.822 8.128 3.576 1.00 0.00 H new ATOM 255 N THR A 20 -5.261 9.651 -0.483 1.00 0.00 N ATOM 256 CA THR A 20 -6.233 10.215 -1.411 1.00 0.00 C ATOM 257 C THR A 20 -7.505 9.377 -1.451 1.00 0.00 C ATOM 258 O THR A 20 -7.554 8.278 -0.900 1.00 0.00 O ATOM 259 CB THR A 20 -5.655 10.320 -2.835 1.00 0.00 C ATOM 260 OG1 THR A 20 -4.231 10.457 -2.777 1.00 0.00 O ATOM 261 CG2 THR A 20 -6.254 11.506 -3.576 1.00 0.00 C ATOM 0 H THR A 20 -4.910 8.731 -0.749 1.00 0.00 H new ATOM 0 HA THR A 20 -6.472 11.215 -1.050 1.00 0.00 H new ATOM 0 HB THR A 20 -5.910 9.408 -3.375 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.904 10.834 -3.621 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.831 11.560 -4.579 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.335 11.384 -3.644 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.026 12.425 -3.036 1.00 0.00 H new ATOM 269 N ALA A 21 -8.534 9.903 -2.109 1.00 0.00 N ATOM 270 CA ALA A 21 -9.806 9.201 -2.223 1.00 0.00 C ATOM 271 C ALA A 21 -9.653 7.914 -3.027 1.00 0.00 C ATOM 272 O ALA A 21 -10.323 6.917 -2.756 1.00 0.00 O ATOM 273 CB ALA A 21 -10.851 10.104 -2.863 1.00 0.00 C ATOM 0 H ALA A 21 -8.511 10.812 -2.571 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.137 8.934 -1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.796 9.567 -2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.989 10.993 -2.248 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.517 10.399 -3.858 1.00 0.00 H new ATOM 279 N THR A 22 -8.767 7.943 -4.018 1.00 0.00 N ATOM 280 CA THR A 22 -8.528 6.779 -4.862 1.00 0.00 C ATOM 281 C THR A 22 -7.039 6.469 -4.962 1.00 0.00 C ATOM 282 O THR A 22 -6.588 5.842 -5.920 1.00 0.00 O ATOM 283 CB THR A 22 -9.093 6.988 -6.280 1.00 0.00 C ATOM 284 OG1 THR A 22 -8.290 7.935 -6.993 1.00 0.00 O ATOM 285 CG2 THR A 22 -10.532 7.477 -6.222 1.00 0.00 C ATOM 0 H THR A 22 -8.204 8.759 -4.255 1.00 0.00 H new ATOM 0 HA THR A 22 -9.041 5.939 -4.394 1.00 0.00 H new ATOM 0 HB THR A 22 -9.072 6.031 -6.800 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.655 8.061 -7.894 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.910 7.617 -7.235 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.146 6.740 -5.705 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.573 8.425 -5.685 1.00 0.00 H new ATOM 293 N SER A 23 -6.279 6.913 -3.966 1.00 0.00 N ATOM 294 CA SER A 23 -4.838 6.685 -3.943 1.00 0.00 C ATOM 295 C SER A 23 -4.298 6.768 -2.519 1.00 0.00 C ATOM 296 O SER A 23 -4.984 7.232 -1.608 1.00 0.00 O ATOM 297 CB SER A 23 -4.125 7.707 -4.831 1.00 0.00 C ATOM 298 OG SER A 23 -4.855 7.944 -6.023 1.00 0.00 O ATOM 0 H SER A 23 -6.637 7.433 -3.164 1.00 0.00 H new ATOM 0 HA SER A 23 -4.647 5.683 -4.328 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.999 8.642 -4.286 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.127 7.345 -5.078 1.00 0.00 H new ATOM 0 HG SER A 23 -4.380 8.602 -6.573 1.00 0.00 H new ATOM 304 N VAL A 24 -3.062 6.315 -2.334 1.00 0.00 N ATOM 305 CA VAL A 24 -2.427 6.337 -1.022 1.00 0.00 C ATOM 306 C VAL A 24 -0.908 6.353 -1.147 1.00 0.00 C ATOM 307 O VAL A 24 -0.346 5.821 -2.105 1.00 0.00 O ATOM 308 CB VAL A 24 -2.848 5.123 -0.173 1.00 0.00 C ATOM 309 CG1 VAL A 24 -2.304 5.246 1.242 1.00 0.00 C ATOM 310 CG2 VAL A 24 -4.363 4.983 -0.161 1.00 0.00 C ATOM 0 H VAL A 24 -2.480 5.928 -3.077 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.758 7.250 -0.526 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.426 4.223 -0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.612 4.379 1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.216 5.294 1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.694 6.153 1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.644 4.120 0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.808 5.883 0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.724 4.845 -1.180 1.00 0.00 H new ATOM 320 N THR A 25 -0.245 6.968 -0.172 1.00 0.00 N ATOM 321 CA THR A 25 1.209 7.054 -0.172 1.00 0.00 C ATOM 322 C THR A 25 1.806 6.292 1.005 1.00 0.00 C ATOM 323 O THR A 25 1.319 6.389 2.132 1.00 0.00 O ATOM 324 CB THR A 25 1.685 8.518 -0.114 1.00 0.00 C ATOM 325 OG1 THR A 25 1.150 9.251 -1.222 1.00 0.00 O ATOM 326 CG2 THR A 25 3.204 8.595 -0.135 1.00 0.00 C ATOM 0 H THR A 25 -0.693 7.414 0.628 1.00 0.00 H new ATOM 0 HA THR A 25 1.551 6.604 -1.104 1.00 0.00 H new ATOM 0 HB THR A 25 1.328 8.956 0.818 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.770 9.969 -1.469 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.516 9.639 -0.093 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.607 8.061 0.725 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.579 8.141 -1.052 1.00 0.00 H new ATOM 334 N LEU A 26 2.863 5.533 0.738 1.00 0.00 N ATOM 335 CA LEU A 26 3.527 4.753 1.777 1.00 0.00 C ATOM 336 C LEU A 26 5.018 5.072 1.828 1.00 0.00 C ATOM 337 O LEU A 26 5.671 5.207 0.793 1.00 0.00 O ATOM 338 CB LEU A 26 3.323 3.257 1.529 1.00 0.00 C ATOM 339 CG LEU A 26 3.399 2.356 2.761 1.00 0.00 C ATOM 340 CD1 LEU A 26 2.181 2.561 3.649 1.00 0.00 C ATOM 341 CD2 LEU A 26 3.520 0.897 2.348 1.00 0.00 C ATOM 0 H LEU A 26 3.279 5.441 -0.189 1.00 0.00 H new ATOM 0 HA LEU A 26 3.083 5.020 2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.349 3.116 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.073 2.922 0.812 1.00 0.00 H new ATOM 0 HG LEU A 26 4.288 2.627 3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.253 1.911 4.521 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.138 3.601 3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.278 2.318 3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.573 0.270 3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.650 0.613 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.424 0.761 1.754 1.00 0.00 H new ATOM 353 N THR A 27 5.552 5.190 3.040 1.00 0.00 N ATOM 354 CA THR A 27 6.965 5.492 3.227 1.00 0.00 C ATOM 355 C THR A 27 7.632 4.463 4.131 1.00 0.00 C ATOM 356 O THR A 27 7.059 4.041 5.136 1.00 0.00 O ATOM 357 CB THR A 27 7.165 6.895 3.830 1.00 0.00 C ATOM 358 OG1 THR A 27 6.364 7.040 5.008 1.00 0.00 O ATOM 359 CG2 THR A 27 6.795 7.974 2.824 1.00 0.00 C ATOM 0 H THR A 27 5.026 5.081 3.907 1.00 0.00 H new ATOM 0 HA THR A 27 7.428 5.459 2.241 1.00 0.00 H new ATOM 0 HB THR A 27 8.217 7.008 4.090 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.498 7.934 5.387 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.944 8.956 3.272 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.426 7.879 1.940 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.749 7.861 2.538 1.00 0.00 H new ATOM 367 N TRP A 28 8.846 4.062 3.769 1.00 0.00 N ATOM 368 CA TRP A 28 9.591 3.082 4.550 1.00 0.00 C ATOM 369 C TRP A 28 11.093 3.264 4.362 1.00 0.00 C ATOM 370 O TRP A 28 11.533 3.988 3.468 1.00 0.00 O ATOM 371 CB TRP A 28 9.184 1.663 4.149 1.00 0.00 C ATOM 372 CG TRP A 28 9.602 1.296 2.758 1.00 0.00 C ATOM 373 CD1 TRP A 28 10.759 0.671 2.388 1.00 0.00 C ATOM 374 CD2 TRP A 28 8.868 1.532 1.552 1.00 0.00 C ATOM 375 NE1 TRP A 28 10.788 0.505 1.025 1.00 0.00 N ATOM 376 CE2 TRP A 28 9.639 1.024 0.488 1.00 0.00 C ATOM 377 CE3 TRP A 28 7.633 2.121 1.266 1.00 0.00 C ATOM 378 CZ2 TRP A 28 9.215 1.089 -0.836 1.00 0.00 C ATOM 379 CZ3 TRP A 28 7.214 2.185 -0.049 1.00 0.00 C ATOM 380 CH2 TRP A 28 8.003 1.671 -1.087 1.00 0.00 C ATOM 0 H TRP A 28 9.335 4.400 2.940 1.00 0.00 H new ATOM 0 HA TRP A 28 9.353 3.237 5.602 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.623 0.955 4.851 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.102 1.566 4.233 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.536 0.354 3.067 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.543 0.066 0.498 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.017 2.519 2.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 9.822 0.694 -1.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.262 2.639 -0.281 1.00 0.00 H new ATOM 0 HH2 TRP A 28 7.647 1.736 -2.105 1.00 0.00 H new ATOM 391 N ASP A 29 11.876 2.605 5.209 1.00 0.00 N ATOM 392 CA ASP A 29 13.330 2.694 5.134 1.00 0.00 C ATOM 393 C ASP A 29 13.917 1.447 4.480 1.00 0.00 C ATOM 394 O ASP A 29 13.291 0.388 4.465 1.00 0.00 O ATOM 395 CB ASP A 29 13.923 2.879 6.532 1.00 0.00 C ATOM 396 CG ASP A 29 14.011 4.338 6.935 1.00 0.00 C ATOM 397 OD1 ASP A 29 14.317 5.177 6.061 1.00 0.00 O ATOM 398 OD2 ASP A 29 13.775 4.641 8.123 1.00 0.00 O ATOM 0 H ASP A 29 11.528 2.003 5.956 1.00 0.00 H new ATOM 0 HA ASP A 29 13.586 3.559 4.522 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.312 2.341 7.257 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.918 2.436 6.563 1.00 0.00 H new ATOM 403 N SER A 30 15.124 1.582 3.939 1.00 0.00 N ATOM 404 CA SER A 30 15.794 0.469 3.278 1.00 0.00 C ATOM 405 C SER A 30 15.746 -0.786 4.145 1.00 0.00 C ATOM 406 O SER A 30 15.356 -1.858 3.684 1.00 0.00 O ATOM 407 CB SER A 30 17.248 0.832 2.968 1.00 0.00 C ATOM 408 OG SER A 30 17.320 1.863 1.998 1.00 0.00 O ATOM 0 H SER A 30 15.657 2.451 3.946 1.00 0.00 H new ATOM 0 HA SER A 30 15.270 0.265 2.344 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.749 1.152 3.882 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.777 -0.050 2.606 1.00 0.00 H new ATOM 0 HG SER A 30 18.259 2.078 1.818 1.00 0.00 H new ATOM 414 N GLY A 31 16.146 -0.643 5.405 1.00 0.00 N ATOM 415 CA GLY A 31 16.141 -1.772 6.317 1.00 0.00 C ATOM 416 C GLY A 31 17.305 -2.713 6.082 1.00 0.00 C ATOM 417 O GLY A 31 17.970 -3.137 7.026 1.00 0.00 O ATOM 0 H GLY A 31 16.473 0.234 5.810 1.00 0.00 H new ATOM 0 HA2 GLY A 31 16.175 -1.406 7.343 1.00 0.00 H new ATOM 0 HA3 GLY A 31 15.206 -2.321 6.205 1.00 0.00 H new ATOM 421 N ASN A 32 17.552 -3.041 4.818 1.00 0.00 N ATOM 422 CA ASN A 32 18.644 -3.940 4.461 1.00 0.00 C ATOM 423 C ASN A 32 19.942 -3.166 4.257 1.00 0.00 C ATOM 424 O ASN A 32 19.926 -1.959 4.015 1.00 0.00 O ATOM 425 CB ASN A 32 18.296 -4.719 3.191 1.00 0.00 C ATOM 426 CG ASN A 32 17.317 -5.847 3.454 1.00 0.00 C ATOM 427 OD1 ASN A 32 17.715 -6.981 3.720 1.00 0.00 O ATOM 428 ND2 ASN A 32 16.027 -5.539 3.380 1.00 0.00 N ATOM 0 H ASN A 32 17.011 -2.698 4.024 1.00 0.00 H new ATOM 0 HA ASN A 32 18.787 -4.642 5.282 1.00 0.00 H new ATOM 0 HB2 ASN A 32 17.871 -4.037 2.455 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.209 -5.128 2.757 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.321 -6.256 3.547 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.742 -4.585 3.156 1.00 0.00 H new ATOM 475 N VAL A 36 19.626 -4.359 -2.617 1.00 0.00 N ATOM 476 CA VAL A 36 18.506 -5.173 -3.074 1.00 0.00 C ATOM 477 C VAL A 36 18.113 -4.814 -4.502 1.00 0.00 C ATOM 478 O VAL A 36 18.434 -3.731 -4.994 1.00 0.00 O ATOM 479 CB VAL A 36 17.279 -5.004 -2.158 1.00 0.00 C ATOM 480 CG1 VAL A 36 16.116 -5.844 -2.663 1.00 0.00 C ATOM 481 CG2 VAL A 36 17.631 -5.372 -0.724 1.00 0.00 C ATOM 0 HA VAL A 36 18.835 -6.212 -3.041 1.00 0.00 H new ATOM 0 HB VAL A 36 16.974 -3.958 -2.176 1.00 0.00 H new ATOM 0 HG11 VAL A 36 15.258 -5.712 -2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 36 15.850 -5.528 -3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 36 16.405 -6.895 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.753 -5.247 -0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.962 -6.410 -0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 36 18.431 -4.723 -0.368 1.00 0.00 H new ATOM 491 N THR A 37 17.415 -5.731 -5.166 1.00 0.00 N ATOM 492 CA THR A 37 16.978 -5.512 -6.539 1.00 0.00 C ATOM 493 C THR A 37 15.797 -4.550 -6.594 1.00 0.00 C ATOM 494 O THR A 37 15.844 -3.532 -7.285 1.00 0.00 O ATOM 495 CB THR A 37 16.580 -6.835 -7.219 1.00 0.00 C ATOM 496 OG1 THR A 37 17.703 -7.723 -7.260 1.00 0.00 O ATOM 497 CG2 THR A 37 16.073 -6.587 -8.632 1.00 0.00 C ATOM 0 H THR A 37 17.141 -6.632 -4.775 1.00 0.00 H new ATOM 0 HA THR A 37 17.822 -5.077 -7.074 1.00 0.00 H new ATOM 0 HB THR A 37 15.779 -7.289 -6.636 1.00 0.00 H new ATOM 0 HG1 THR A 37 17.441 -8.562 -7.692 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.798 -7.536 -9.092 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.200 -5.935 -8.596 1.00 0.00 H new ATOM 0 HG23 THR A 37 16.857 -6.112 -9.222 1.00 0.00 H new ATOM 505 N TYR A 38 14.739 -4.879 -5.861 1.00 0.00 N ATOM 506 CA TYR A 38 13.543 -4.044 -5.827 1.00 0.00 C ATOM 507 C TYR A 38 12.642 -4.431 -4.659 1.00 0.00 C ATOM 508 O TYR A 38 12.799 -5.497 -4.065 1.00 0.00 O ATOM 509 CB TYR A 38 12.773 -4.167 -7.143 1.00 0.00 C ATOM 510 CG TYR A 38 11.991 -5.455 -7.269 1.00 0.00 C ATOM 511 CD1 TYR A 38 10.706 -5.563 -6.752 1.00 0.00 C ATOM 512 CD2 TYR A 38 12.537 -6.563 -7.904 1.00 0.00 C ATOM 513 CE1 TYR A 38 9.988 -6.738 -6.864 1.00 0.00 C ATOM 514 CE2 TYR A 38 11.826 -7.742 -8.022 1.00 0.00 C ATOM 515 CZ TYR A 38 10.552 -7.824 -7.500 1.00 0.00 C ATOM 516 OH TYR A 38 9.841 -8.997 -7.614 1.00 0.00 O ATOM 0 H TYR A 38 14.685 -5.717 -5.283 1.00 0.00 H new ATOM 0 HA TYR A 38 13.856 -3.009 -5.693 1.00 0.00 H new ATOM 0 HB2 TYR A 38 12.087 -3.325 -7.233 1.00 0.00 H new ATOM 0 HB3 TYR A 38 13.476 -4.096 -7.973 1.00 0.00 H new ATOM 0 HD1 TYR A 38 10.261 -4.714 -6.254 1.00 0.00 H new ATOM 0 HD2 TYR A 38 13.535 -6.502 -8.313 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.990 -6.806 -6.456 1.00 0.00 H new ATOM 0 HE2 TYR A 38 12.265 -8.594 -8.520 1.00 0.00 H new ATOM 0 HH TYR A 38 10.381 -9.662 -8.089 1.00 0.00 H new ATOM 526 N TYR A 39 11.696 -3.556 -4.336 1.00 0.00 N ATOM 527 CA TYR A 39 10.769 -3.803 -3.238 1.00 0.00 C ATOM 528 C TYR A 39 9.339 -3.943 -3.753 1.00 0.00 C ATOM 529 O TYR A 39 8.812 -3.044 -4.407 1.00 0.00 O ATOM 530 CB TYR A 39 10.845 -2.670 -2.214 1.00 0.00 C ATOM 531 CG TYR A 39 12.157 -2.619 -1.464 1.00 0.00 C ATOM 532 CD1 TYR A 39 13.336 -2.266 -2.110 1.00 0.00 C ATOM 533 CD2 TYR A 39 12.219 -2.926 -0.110 1.00 0.00 C ATOM 534 CE1 TYR A 39 14.537 -2.219 -1.429 1.00 0.00 C ATOM 535 CE2 TYR A 39 13.415 -2.880 0.579 1.00 0.00 C ATOM 536 CZ TYR A 39 14.571 -2.526 -0.085 1.00 0.00 C ATOM 537 OH TYR A 39 15.766 -2.481 0.598 1.00 0.00 O ATOM 0 H TYR A 39 11.551 -2.669 -4.819 1.00 0.00 H new ATOM 0 HA TYR A 39 11.056 -4.738 -2.757 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.691 -1.719 -2.724 1.00 0.00 H new ATOM 0 HB3 TYR A 39 10.031 -2.783 -1.498 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.313 -2.024 -3.162 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.316 -3.205 0.413 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.444 -1.943 -1.946 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.445 -3.120 1.632 1.00 0.00 H new ATOM 0 HH TYR A 39 15.597 -2.270 1.540 1.00 0.00 H new ATOM 547 N GLY A 40 8.716 -5.078 -3.451 1.00 0.00 N ATOM 548 CA GLY A 40 7.354 -5.316 -3.890 1.00 0.00 C ATOM 549 C GLY A 40 6.329 -4.701 -2.958 1.00 0.00 C ATOM 550 O GLY A 40 6.668 -4.245 -1.866 1.00 0.00 O ATOM 0 H GLY A 40 9.131 -5.837 -2.910 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.222 -4.907 -4.892 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.180 -6.390 -3.959 1.00 0.00 H new ATOM 554 N ILE A 41 5.072 -4.687 -3.389 1.00 0.00 N ATOM 555 CA ILE A 41 3.995 -4.123 -2.585 1.00 0.00 C ATOM 556 C ILE A 41 2.719 -4.947 -2.720 1.00 0.00 C ATOM 557 O ILE A 41 2.328 -5.327 -3.823 1.00 0.00 O ATOM 558 CB ILE A 41 3.697 -2.666 -2.986 1.00 0.00 C ATOM 559 CG1 ILE A 41 4.930 -1.789 -2.760 1.00 0.00 C ATOM 560 CG2 ILE A 41 2.509 -2.133 -2.199 1.00 0.00 C ATOM 561 CD1 ILE A 41 4.746 -0.358 -3.214 1.00 0.00 C ATOM 0 H ILE A 41 4.775 -5.060 -4.291 1.00 0.00 H new ATOM 0 HA ILE A 41 4.330 -4.144 -1.548 1.00 0.00 H new ATOM 0 HB ILE A 41 3.446 -2.640 -4.047 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.181 -1.796 -1.699 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.777 -2.224 -3.291 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.310 -1.102 -2.493 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.631 -2.745 -2.406 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.733 -2.169 -1.133 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.660 0.205 -3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.525 -0.340 -4.281 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.920 0.094 -2.665 1.00 0.00 H new ATOM 573 N GLN A 42 2.074 -5.218 -1.590 1.00 0.00 N ATOM 574 CA GLN A 42 0.841 -5.996 -1.582 1.00 0.00 C ATOM 575 C GLN A 42 -0.243 -5.290 -0.775 1.00 0.00 C ATOM 576 O GLN A 42 -0.023 -4.900 0.373 1.00 0.00 O ATOM 577 CB GLN A 42 1.096 -7.390 -1.006 1.00 0.00 C ATOM 578 CG GLN A 42 1.810 -8.325 -1.969 1.00 0.00 C ATOM 579 CD GLN A 42 1.717 -9.778 -1.548 1.00 0.00 C ATOM 580 OE1 GLN A 42 0.652 -10.391 -1.623 1.00 0.00 O ATOM 581 NE2 GLN A 42 2.835 -10.338 -1.101 1.00 0.00 N ATOM 0 H GLN A 42 2.385 -4.910 -0.668 1.00 0.00 H new ATOM 0 HA GLN A 42 0.496 -6.094 -2.611 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.690 -7.295 -0.097 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.143 -7.835 -0.719 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.382 -8.211 -2.965 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.859 -8.037 -2.038 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.696 -9.793 -1.056 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.833 -11.314 -0.803 1.00 0.00 H new ATOM 590 N TYR A 43 -1.414 -5.127 -1.381 1.00 0.00 N ATOM 591 CA TYR A 43 -2.532 -4.465 -0.719 1.00 0.00 C ATOM 592 C TYR A 43 -3.858 -5.103 -1.122 1.00 0.00 C ATOM 593 O TYR A 43 -3.970 -5.708 -2.188 1.00 0.00 O ATOM 594 CB TYR A 43 -2.545 -2.975 -1.063 1.00 0.00 C ATOM 595 CG TYR A 43 -2.585 -2.696 -2.548 1.00 0.00 C ATOM 596 CD1 TYR A 43 -1.438 -2.797 -3.325 1.00 0.00 C ATOM 597 CD2 TYR A 43 -3.770 -2.330 -3.175 1.00 0.00 C ATOM 598 CE1 TYR A 43 -1.470 -2.543 -4.683 1.00 0.00 C ATOM 599 CE2 TYR A 43 -3.812 -2.075 -4.532 1.00 0.00 C ATOM 600 CZ TYR A 43 -2.659 -2.183 -5.281 1.00 0.00 C ATOM 601 OH TYR A 43 -2.696 -1.928 -6.633 1.00 0.00 O ATOM 0 H TYR A 43 -1.614 -5.444 -2.330 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.405 -4.582 0.357 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.410 -2.509 -0.591 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.658 -2.505 -0.637 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.505 -3.079 -2.860 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.674 -2.243 -2.591 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.569 -2.626 -5.272 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.742 -1.793 -5.003 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.609 -1.689 -6.896 1.00 0.00 H new ATOM 611 N ARG A 44 -4.860 -4.962 -0.260 1.00 0.00 N ATOM 612 CA ARG A 44 -6.179 -5.524 -0.524 1.00 0.00 C ATOM 613 C ARG A 44 -7.194 -5.037 0.506 1.00 0.00 C ATOM 614 O ARG A 44 -6.844 -4.759 1.653 1.00 0.00 O ATOM 615 CB ARG A 44 -6.117 -7.053 -0.512 1.00 0.00 C ATOM 616 CG ARG A 44 -7.476 -7.718 -0.659 1.00 0.00 C ATOM 617 CD ARG A 44 -7.357 -9.094 -1.296 1.00 0.00 C ATOM 618 NE ARG A 44 -8.558 -9.457 -2.043 1.00 0.00 N ATOM 619 CZ ARG A 44 -8.854 -8.968 -3.242 1.00 0.00 C ATOM 620 NH1 ARG A 44 -8.040 -8.100 -3.827 1.00 0.00 N ATOM 621 NH2 ARG A 44 -9.966 -9.346 -3.859 1.00 0.00 N ATOM 0 H ARG A 44 -4.783 -4.464 0.627 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.499 -5.188 -1.510 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.468 -7.388 -1.321 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.659 -7.383 0.421 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.946 -7.809 0.320 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.126 -7.089 -1.267 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.496 -9.111 -1.964 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.174 -9.838 -0.521 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.205 -10.123 -1.621 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.184 -7.806 -3.356 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.270 -7.726 -4.748 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -10.595 -10.013 -3.413 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.192 -8.969 -4.780 1.00 0.00 H new ATOM 635 N ALA A 45 -8.452 -4.937 0.089 1.00 0.00 N ATOM 636 CA ALA A 45 -9.517 -4.485 0.975 1.00 0.00 C ATOM 637 C ALA A 45 -9.479 -5.232 2.304 1.00 0.00 C ATOM 638 O ALA A 45 -9.480 -6.462 2.335 1.00 0.00 O ATOM 639 CB ALA A 45 -10.872 -4.663 0.306 1.00 0.00 C ATOM 0 H ALA A 45 -8.758 -5.163 -0.857 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.361 -3.426 1.179 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.658 -4.321 0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.903 -4.079 -0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.027 -5.716 0.073 1.00 0.00 H new ATOM 732 N GLN A 53 -3.111 -7.847 -4.315 1.00 0.00 N ATOM 733 CA GLN A 53 -2.440 -7.387 -5.525 1.00 0.00 C ATOM 734 C GLN A 53 -0.936 -7.618 -5.435 1.00 0.00 C ATOM 735 O GLN A 53 -0.428 -8.065 -4.407 1.00 0.00 O ATOM 736 CB GLN A 53 -2.728 -5.903 -5.761 1.00 0.00 C ATOM 737 CG GLN A 53 -4.196 -5.600 -6.013 1.00 0.00 C ATOM 738 CD GLN A 53 -4.645 -6.006 -7.403 1.00 0.00 C ATOM 739 OE1 GLN A 53 -4.174 -7.001 -7.954 1.00 0.00 O ATOM 740 NE2 GLN A 53 -5.562 -5.236 -7.977 1.00 0.00 N ATOM 0 HA GLN A 53 -2.827 -7.963 -6.366 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.392 -5.334 -4.894 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.143 -5.559 -6.614 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.803 -6.121 -5.273 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.372 -4.533 -5.876 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.925 -4.421 -7.483 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.904 -5.460 -8.912 1.00 0.00 H new ATOM 749 N GLU A 54 -0.229 -7.310 -6.518 1.00 0.00 N ATOM 750 CA GLU A 54 1.218 -7.486 -6.560 1.00 0.00 C ATOM 751 C GLU A 54 1.870 -6.422 -7.439 1.00 0.00 C ATOM 752 O GLU A 54 1.491 -6.238 -8.595 1.00 0.00 O ATOM 753 CB GLU A 54 1.570 -8.880 -7.083 1.00 0.00 C ATOM 754 CG GLU A 54 3.043 -9.228 -6.947 1.00 0.00 C ATOM 755 CD GLU A 54 3.280 -10.718 -6.802 1.00 0.00 C ATOM 756 OE1 GLU A 54 2.475 -11.384 -6.118 1.00 0.00 O ATOM 757 OE2 GLU A 54 4.271 -11.219 -7.373 1.00 0.00 O ATOM 0 H GLU A 54 -0.634 -6.938 -7.377 1.00 0.00 H new ATOM 0 HA GLU A 54 1.601 -7.379 -5.545 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.979 -9.621 -6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.285 -8.947 -8.133 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.581 -8.862 -7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.456 -8.712 -6.080 1.00 0.00 H new ATOM 764 N VAL A 55 2.853 -5.723 -6.881 1.00 0.00 N ATOM 765 CA VAL A 55 3.559 -4.678 -7.612 1.00 0.00 C ATOM 766 C VAL A 55 5.070 -4.853 -7.500 1.00 0.00 C ATOM 767 O VAL A 55 5.621 -4.888 -6.400 1.00 0.00 O ATOM 768 CB VAL A 55 3.176 -3.277 -7.098 1.00 0.00 C ATOM 769 CG1 VAL A 55 3.967 -2.205 -7.832 1.00 0.00 C ATOM 770 CG2 VAL A 55 1.681 -3.045 -7.250 1.00 0.00 C ATOM 0 H VAL A 55 3.179 -5.862 -5.924 1.00 0.00 H new ATOM 0 HA VAL A 55 3.263 -4.767 -8.657 1.00 0.00 H new ATOM 0 HB VAL A 55 3.424 -3.217 -6.038 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.683 -1.222 -7.456 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.033 -2.363 -7.668 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.752 -2.261 -8.899 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.428 -2.051 -6.882 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.406 -3.124 -8.302 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.136 -3.794 -6.675 1.00 0.00 H new ATOM 780 N ASP A 56 5.733 -4.961 -8.646 1.00 0.00 N ATOM 781 CA ASP A 56 7.181 -5.131 -8.678 1.00 0.00 C ATOM 782 C ASP A 56 7.832 -4.079 -9.570 1.00 0.00 C ATOM 783 O ASP A 56 7.309 -3.740 -10.631 1.00 0.00 O ATOM 784 CB ASP A 56 7.541 -6.532 -9.174 1.00 0.00 C ATOM 785 CG ASP A 56 7.174 -6.743 -10.629 1.00 0.00 C ATOM 786 OD1 ASP A 56 7.836 -6.143 -11.501 1.00 0.00 O ATOM 787 OD2 ASP A 56 6.224 -7.509 -10.897 1.00 0.00 O ATOM 0 H ASP A 56 5.291 -4.934 -9.565 1.00 0.00 H new ATOM 0 HA ASP A 56 7.559 -5.005 -7.663 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.611 -6.696 -9.045 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.028 -7.274 -8.562 1.00 0.00 H new ATOM 792 N GLY A 57 8.978 -3.565 -9.132 1.00 0.00 N ATOM 793 CA GLY A 57 9.681 -2.556 -9.903 1.00 0.00 C ATOM 794 C GLY A 57 9.822 -1.247 -9.152 1.00 0.00 C ATOM 795 O GLY A 57 9.960 -0.186 -9.760 1.00 0.00 O ATOM 0 H GLY A 57 9.432 -3.829 -8.257 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.671 -2.929 -10.166 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.148 -2.380 -10.837 1.00 0.00 H new ATOM 799 N VAL A 58 9.787 -1.321 -7.825 1.00 0.00 N ATOM 800 CA VAL A 58 9.912 -0.133 -6.989 1.00 0.00 C ATOM 801 C VAL A 58 11.326 0.005 -6.438 1.00 0.00 C ATOM 802 O VAL A 58 11.654 -0.557 -5.394 1.00 0.00 O ATOM 803 CB VAL A 58 8.916 -0.166 -5.815 1.00 0.00 C ATOM 804 CG1 VAL A 58 8.949 1.148 -5.050 1.00 0.00 C ATOM 805 CG2 VAL A 58 7.511 -0.465 -6.316 1.00 0.00 C ATOM 0 H VAL A 58 9.673 -2.192 -7.306 1.00 0.00 H new ATOM 0 HA VAL A 58 9.687 0.725 -7.623 1.00 0.00 H new ATOM 0 HB VAL A 58 9.211 -0.964 -5.133 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.239 1.106 -4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.952 1.316 -4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.680 1.965 -5.719 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.821 -0.484 -5.473 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.203 0.309 -7.019 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.501 -1.434 -6.815 1.00 0.00 H new ATOM 815 N ALA A 59 12.161 0.758 -7.147 1.00 0.00 N ATOM 816 CA ALA A 59 13.540 0.973 -6.728 1.00 0.00 C ATOM 817 C ALA A 59 13.670 2.246 -5.898 1.00 0.00 C ATOM 818 O ALA A 59 14.684 2.941 -5.962 1.00 0.00 O ATOM 819 CB ALA A 59 14.457 1.036 -7.940 1.00 0.00 C ATOM 0 H ALA A 59 11.906 1.229 -8.015 1.00 0.00 H new ATOM 0 HA ALA A 59 13.839 0.131 -6.104 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.484 1.197 -7.611 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.395 0.098 -8.492 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.150 1.858 -8.586 1.00 0.00 H new ATOM 825 N THR A 60 12.635 2.547 -5.119 1.00 0.00 N ATOM 826 CA THR A 60 12.633 3.737 -4.278 1.00 0.00 C ATOM 827 C THR A 60 12.119 3.420 -2.878 1.00 0.00 C ATOM 828 O THR A 60 11.570 2.345 -2.635 1.00 0.00 O ATOM 829 CB THR A 60 11.767 4.855 -4.889 1.00 0.00 C ATOM 830 OG1 THR A 60 10.556 4.304 -5.418 1.00 0.00 O ATOM 831 CG2 THR A 60 12.523 5.583 -5.991 1.00 0.00 C ATOM 0 H THR A 60 11.788 1.983 -5.054 1.00 0.00 H new ATOM 0 HA THR A 60 13.665 4.081 -4.214 1.00 0.00 H new ATOM 0 HB THR A 60 11.526 5.569 -4.102 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.788 4.683 -4.941 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.892 6.368 -6.408 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.429 6.027 -5.579 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.790 4.877 -6.777 1.00 0.00 H new ATOM 839 N THR A 61 12.298 4.364 -1.959 1.00 0.00 N ATOM 840 CA THR A 61 11.853 4.185 -0.583 1.00 0.00 C ATOM 841 C THR A 61 10.488 4.825 -0.359 1.00 0.00 C ATOM 842 O THR A 61 10.067 5.029 0.780 1.00 0.00 O ATOM 843 CB THR A 61 12.860 4.786 0.416 1.00 0.00 C ATOM 844 OG1 THR A 61 13.169 6.135 0.048 1.00 0.00 O ATOM 845 CG2 THR A 61 14.137 3.962 0.460 1.00 0.00 C ATOM 0 H THR A 61 12.748 5.260 -2.143 1.00 0.00 H new ATOM 0 HA THR A 61 11.780 3.111 -0.412 1.00 0.00 H new ATOM 0 HB THR A 61 12.406 4.775 1.407 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.808 6.511 0.689 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.832 4.406 1.172 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.902 2.943 0.769 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.593 3.945 -0.530 1.00 0.00 H new ATOM 853 N ARG A 62 9.801 5.139 -1.452 1.00 0.00 N ATOM 854 CA ARG A 62 8.482 5.757 -1.374 1.00 0.00 C ATOM 855 C ARG A 62 7.675 5.477 -2.639 1.00 0.00 C ATOM 856 O ARG A 62 8.139 5.728 -3.751 1.00 0.00 O ATOM 857 CB ARG A 62 8.615 7.267 -1.165 1.00 0.00 C ATOM 858 CG ARG A 62 7.281 7.981 -1.018 1.00 0.00 C ATOM 859 CD ARG A 62 7.471 9.456 -0.700 1.00 0.00 C ATOM 860 NE ARG A 62 7.738 10.244 -1.899 1.00 0.00 N ATOM 861 CZ ARG A 62 8.021 11.542 -1.877 1.00 0.00 C ATOM 862 NH1 ARG A 62 8.074 12.193 -0.724 1.00 0.00 N ATOM 863 NH2 ARG A 62 8.253 12.191 -3.011 1.00 0.00 N ATOM 0 H ARG A 62 10.135 4.976 -2.402 1.00 0.00 H new ATOM 0 HA ARG A 62 7.955 5.324 -0.524 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.216 7.451 -0.274 1.00 0.00 H new ATOM 0 HB3 ARG A 62 9.156 7.696 -2.008 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.708 7.877 -1.939 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.700 7.509 -0.226 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.578 9.838 -0.206 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.297 9.572 0.002 1.00 0.00 H new ATOM 0 HE ARG A 62 7.706 9.773 -2.803 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.897 11.698 0.150 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.292 13.189 -0.710 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.214 11.693 -3.901 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.470 13.187 -2.993 1.00 0.00 H new ATOM 877 N TYR A 63 6.466 4.957 -2.459 1.00 0.00 N ATOM 878 CA TYR A 63 5.596 4.640 -3.585 1.00 0.00 C ATOM 879 C TYR A 63 4.145 4.985 -3.266 1.00 0.00 C ATOM 880 O TYR A 63 3.754 5.058 -2.100 1.00 0.00 O ATOM 881 CB TYR A 63 5.712 3.158 -3.946 1.00 0.00 C ATOM 882 CG TYR A 63 4.773 2.728 -5.050 1.00 0.00 C ATOM 883 CD1 TYR A 63 5.091 2.949 -6.384 1.00 0.00 C ATOM 884 CD2 TYR A 63 3.568 2.101 -4.759 1.00 0.00 C ATOM 885 CE1 TYR A 63 4.236 2.558 -7.397 1.00 0.00 C ATOM 886 CE2 TYR A 63 2.707 1.706 -5.764 1.00 0.00 C ATOM 887 CZ TYR A 63 3.045 1.937 -7.082 1.00 0.00 C ATOM 888 OH TYR A 63 2.190 1.546 -8.086 1.00 0.00 O ATOM 0 H TYR A 63 6.066 4.746 -1.545 1.00 0.00 H new ATOM 0 HA TYR A 63 5.915 5.240 -4.437 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.737 2.946 -4.249 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.512 2.560 -3.057 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.023 3.435 -6.634 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.300 1.919 -3.729 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.499 2.738 -8.429 1.00 0.00 H new ATOM 0 HE2 TYR A 63 1.774 1.219 -5.520 1.00 0.00 H new ATOM 0 HH TYR A 63 1.397 1.123 -7.694 1.00 0.00 H new ATOM 898 N SER A 64 3.349 5.194 -4.310 1.00 0.00 N ATOM 899 CA SER A 64 1.941 5.534 -4.142 1.00 0.00 C ATOM 900 C SER A 64 1.048 4.501 -4.822 1.00 0.00 C ATOM 901 O SER A 64 1.290 4.112 -5.965 1.00 0.00 O ATOM 902 CB SER A 64 1.659 6.925 -4.714 1.00 0.00 C ATOM 903 OG SER A 64 0.317 7.313 -4.473 1.00 0.00 O ATOM 0 H SER A 64 3.655 5.134 -5.281 1.00 0.00 H new ATOM 0 HA SER A 64 1.717 5.536 -3.075 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.337 7.651 -4.265 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.855 6.927 -5.786 1.00 0.00 H new ATOM 0 HG SER A 64 -0.012 6.867 -3.665 1.00 0.00 H new ATOM 909 N ILE A 65 0.015 4.061 -4.111 1.00 0.00 N ATOM 910 CA ILE A 65 -0.915 3.074 -4.646 1.00 0.00 C ATOM 911 C ILE A 65 -2.154 3.746 -5.228 1.00 0.00 C ATOM 912 O ILE A 65 -2.595 4.787 -4.743 1.00 0.00 O ATOM 913 CB ILE A 65 -1.350 2.068 -3.565 1.00 0.00 C ATOM 914 CG1 ILE A 65 -0.134 1.320 -3.013 1.00 0.00 C ATOM 915 CG2 ILE A 65 -2.368 1.089 -4.132 1.00 0.00 C ATOM 916 CD1 ILE A 65 0.515 2.010 -1.834 1.00 0.00 C ATOM 0 H ILE A 65 -0.199 4.372 -3.164 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.389 2.540 -5.437 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.817 2.616 -2.747 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.439 0.317 -2.714 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.603 1.205 -3.808 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.666 0.384 -3.356 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.244 1.636 -4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.924 0.545 -4.966 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.369 1.424 -1.495 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.851 3.003 -2.133 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.207 2.101 -1.023 1.00 0.00 H new ATOM 928 N GLY A 66 -2.713 3.141 -6.272 1.00 0.00 N ATOM 929 CA GLY A 66 -3.897 3.693 -6.903 1.00 0.00 C ATOM 930 C GLY A 66 -4.875 2.621 -7.341 1.00 0.00 C ATOM 931 O GLY A 66 -4.497 1.465 -7.526 1.00 0.00 O ATOM 0 H GLY A 66 -2.367 2.278 -6.692 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.393 4.370 -6.208 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.601 4.285 -7.769 1.00 0.00 H new ATOM 935 N GLY A 67 -6.137 3.004 -7.505 1.00 0.00 N ATOM 936 CA GLY A 67 -7.153 2.054 -7.920 1.00 0.00 C ATOM 937 C GLY A 67 -7.986 1.552 -6.759 1.00 0.00 C ATOM 938 O GLY A 67 -8.479 0.423 -6.781 1.00 0.00 O ATOM 0 H GLY A 67 -6.474 3.955 -7.358 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.806 2.524 -8.655 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.675 1.207 -8.413 1.00 0.00 H new ATOM 942 N LEU A 68 -8.144 2.389 -5.740 1.00 0.00 N ATOM 943 CA LEU A 68 -8.923 2.023 -4.562 1.00 0.00 C ATOM 944 C LEU A 68 -10.226 2.815 -4.503 1.00 0.00 C ATOM 945 O LEU A 68 -10.411 3.781 -5.244 1.00 0.00 O ATOM 946 CB LEU A 68 -8.107 2.266 -3.291 1.00 0.00 C ATOM 947 CG LEU A 68 -6.669 1.746 -3.307 1.00 0.00 C ATOM 948 CD1 LEU A 68 -5.895 2.282 -2.113 1.00 0.00 C ATOM 949 CD2 LEU A 68 -6.652 0.225 -3.317 1.00 0.00 C ATOM 0 H LEU A 68 -7.743 3.326 -5.705 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.167 0.963 -4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.082 3.339 -3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.630 1.804 -2.454 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.185 2.100 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.874 1.902 -2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.878 3.371 -2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.378 1.958 -1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.621 -0.127 -3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.154 -0.150 -2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.169 -0.139 -4.205 1.00 0.00 H new ATOM 961 N SER A 69 -11.124 2.401 -3.615 1.00 0.00 N ATOM 962 CA SER A 69 -12.410 3.071 -3.460 1.00 0.00 C ATOM 963 C SER A 69 -12.362 4.082 -2.319 1.00 0.00 C ATOM 964 O SER A 69 -11.693 3.881 -1.305 1.00 0.00 O ATOM 965 CB SER A 69 -13.515 2.045 -3.201 1.00 0.00 C ATOM 966 OG SER A 69 -14.721 2.681 -2.815 1.00 0.00 O ATOM 0 H SER A 69 -10.985 1.605 -2.992 1.00 0.00 H new ATOM 0 HA SER A 69 -12.628 3.604 -4.385 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.684 1.453 -4.101 1.00 0.00 H new ATOM 0 HB3 SER A 69 -13.198 1.354 -2.420 1.00 0.00 H new ATOM 0 HG SER A 69 -15.412 2.004 -2.657 1.00 0.00 H new ATOM 972 N PRO A 70 -13.087 5.198 -2.487 1.00 0.00 N ATOM 973 CA PRO A 70 -13.145 6.263 -1.482 1.00 0.00 C ATOM 974 C PRO A 70 -13.906 5.840 -0.230 1.00 0.00 C ATOM 975 O PRO A 70 -14.992 5.266 -0.316 1.00 0.00 O ATOM 976 CB PRO A 70 -13.888 7.391 -2.203 1.00 0.00 C ATOM 977 CG PRO A 70 -14.708 6.703 -3.239 1.00 0.00 C ATOM 978 CD PRO A 70 -13.908 5.504 -3.670 1.00 0.00 C ATOM 0 HA PRO A 70 -12.153 6.544 -1.129 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.515 7.956 -1.513 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.192 8.098 -2.654 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -15.675 6.403 -2.836 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -14.906 7.364 -4.083 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.552 4.667 -3.939 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -13.291 5.725 -4.541 1.00 0.00 H new ATOM 986 N PHE A 71 -13.329 6.125 0.932 1.00 0.00 N ATOM 987 CA PHE A 71 -13.953 5.773 2.202 1.00 0.00 C ATOM 988 C PHE A 71 -13.873 4.269 2.449 1.00 0.00 C ATOM 989 O PHE A 71 -14.838 3.651 2.898 1.00 0.00 O ATOM 990 CB PHE A 71 -15.414 6.227 2.221 1.00 0.00 C ATOM 991 CG PHE A 71 -15.921 6.560 3.595 1.00 0.00 C ATOM 992 CD1 PHE A 71 -15.175 7.357 4.449 1.00 0.00 C ATOM 993 CD2 PHE A 71 -17.143 6.076 4.033 1.00 0.00 C ATOM 994 CE1 PHE A 71 -15.639 7.664 5.714 1.00 0.00 C ATOM 995 CE2 PHE A 71 -17.612 6.380 5.297 1.00 0.00 C ATOM 996 CZ PHE A 71 -16.860 7.176 6.138 1.00 0.00 C ATOM 0 H PHE A 71 -12.430 6.599 1.021 1.00 0.00 H new ATOM 0 HA PHE A 71 -13.411 6.284 2.998 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -15.522 7.102 1.581 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -16.036 5.440 1.794 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -14.220 7.742 4.122 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -17.736 5.454 3.379 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -15.048 8.285 6.371 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -18.566 5.995 5.627 1.00 0.00 H new ATOM 0 HZ PHE A 71 -17.226 7.417 7.125 1.00 0.00 H new ATOM 1006 N SER A 72 -12.716 3.687 2.151 1.00 0.00 N ATOM 1007 CA SER A 72 -12.510 2.255 2.336 1.00 0.00 C ATOM 1008 C SER A 72 -11.239 1.987 3.135 1.00 0.00 C ATOM 1009 O SER A 72 -10.391 2.867 3.285 1.00 0.00 O ATOM 1010 CB SER A 72 -12.431 1.551 0.980 1.00 0.00 C ATOM 1011 OG SER A 72 -11.221 1.863 0.313 1.00 0.00 O ATOM 0 H SER A 72 -11.907 4.185 1.780 1.00 0.00 H new ATOM 0 HA SER A 72 -13.359 1.860 2.894 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.504 0.473 1.122 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.278 1.849 0.362 1.00 0.00 H new ATOM 0 HG SER A 72 -11.287 2.757 -0.082 1.00 0.00 H new ATOM 1017 N GLU A 73 -11.115 0.767 3.646 1.00 0.00 N ATOM 1018 CA GLU A 73 -9.947 0.383 4.431 1.00 0.00 C ATOM 1019 C GLU A 73 -9.099 -0.640 3.681 1.00 0.00 C ATOM 1020 O GLU A 73 -9.615 -1.631 3.163 1.00 0.00 O ATOM 1021 CB GLU A 73 -10.380 -0.190 5.782 1.00 0.00 C ATOM 1022 CG GLU A 73 -9.352 0.007 6.884 1.00 0.00 C ATOM 1023 CD GLU A 73 -9.884 -0.373 8.252 1.00 0.00 C ATOM 1024 OE1 GLU A 73 -10.793 0.324 8.749 1.00 0.00 O ATOM 1025 OE2 GLU A 73 -9.391 -1.366 8.827 1.00 0.00 O ATOM 0 H GLU A 73 -11.808 0.027 3.531 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.344 1.276 4.598 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.317 0.279 6.083 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.579 -1.256 5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.468 -0.592 6.663 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.035 1.050 6.898 1.00 0.00 H new ATOM 1032 N TYR A 74 -7.795 -0.391 3.625 1.00 0.00 N ATOM 1033 CA TYR A 74 -6.875 -1.288 2.936 1.00 0.00 C ATOM 1034 C TYR A 74 -5.607 -1.503 3.756 1.00 0.00 C ATOM 1035 O TYR A 74 -5.209 -0.644 4.542 1.00 0.00 O ATOM 1036 CB TYR A 74 -6.516 -0.725 1.560 1.00 0.00 C ATOM 1037 CG TYR A 74 -7.520 -1.071 0.483 1.00 0.00 C ATOM 1038 CD1 TYR A 74 -8.661 -0.301 0.297 1.00 0.00 C ATOM 1039 CD2 TYR A 74 -7.327 -2.168 -0.347 1.00 0.00 C ATOM 1040 CE1 TYR A 74 -9.582 -0.614 -0.684 1.00 0.00 C ATOM 1041 CE2 TYR A 74 -8.241 -2.487 -1.332 1.00 0.00 C ATOM 1042 CZ TYR A 74 -9.367 -1.707 -1.497 1.00 0.00 C ATOM 1043 OH TYR A 74 -10.280 -2.023 -2.476 1.00 0.00 O ATOM 0 H TYR A 74 -7.352 0.424 4.048 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.372 -2.250 2.810 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.431 0.359 1.631 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.536 -1.103 1.267 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.831 0.557 0.930 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.447 -2.782 -0.220 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.465 -0.006 -0.813 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.075 -3.343 -1.970 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.978 -2.820 -2.960 1.00 0.00 H new ATOM 1053 N ALA A 75 -4.976 -2.657 3.566 1.00 0.00 N ATOM 1054 CA ALA A 75 -3.751 -2.986 4.286 1.00 0.00 C ATOM 1055 C ALA A 75 -2.550 -2.998 3.347 1.00 0.00 C ATOM 1056 O ALA A 75 -2.502 -3.774 2.392 1.00 0.00 O ATOM 1057 CB ALA A 75 -3.893 -4.332 4.982 1.00 0.00 C ATOM 0 H ALA A 75 -5.292 -3.380 2.920 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.583 -2.216 5.039 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.971 -4.565 5.515 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.721 -4.290 5.690 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.088 -5.106 4.240 1.00 0.00 H new ATOM 1063 N PHE A 76 -1.580 -2.132 3.624 1.00 0.00 N ATOM 1064 CA PHE A 76 -0.378 -2.042 2.803 1.00 0.00 C ATOM 1065 C PHE A 76 0.798 -2.736 3.483 1.00 0.00 C ATOM 1066 O PHE A 76 0.926 -2.708 4.707 1.00 0.00 O ATOM 1067 CB PHE A 76 -0.031 -0.577 2.528 1.00 0.00 C ATOM 1068 CG PHE A 76 -1.134 0.182 1.847 1.00 0.00 C ATOM 1069 CD1 PHE A 76 -1.261 0.157 0.468 1.00 0.00 C ATOM 1070 CD2 PHE A 76 -2.043 0.922 2.587 1.00 0.00 C ATOM 1071 CE1 PHE A 76 -2.275 0.855 -0.162 1.00 0.00 C ATOM 1072 CE2 PHE A 76 -3.058 1.621 1.963 1.00 0.00 C ATOM 1073 CZ PHE A 76 -3.174 1.589 0.587 1.00 0.00 C ATOM 0 H PHE A 76 -1.603 -1.483 4.410 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.576 -2.545 1.857 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.209 -0.086 3.471 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.865 -0.534 1.909 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.560 -0.414 -0.122 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.957 0.952 3.663 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.364 0.826 -1.238 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.761 2.193 2.551 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.966 2.137 0.098 1.00 0.00 H new ATOM 1083 N ARG A 77 1.655 -3.359 2.679 1.00 0.00 N ATOM 1084 CA ARG A 77 2.820 -4.062 3.203 1.00 0.00 C ATOM 1085 C ARG A 77 3.908 -4.177 2.139 1.00 0.00 C ATOM 1086 O ARG A 77 3.657 -4.639 1.026 1.00 0.00 O ATOM 1087 CB ARG A 77 2.423 -5.455 3.694 1.00 0.00 C ATOM 1088 CG ARG A 77 1.995 -6.396 2.579 1.00 0.00 C ATOM 1089 CD ARG A 77 1.657 -7.778 3.115 1.00 0.00 C ATOM 1090 NE ARG A 77 0.266 -7.869 3.553 1.00 0.00 N ATOM 1091 CZ ARG A 77 -0.195 -8.838 4.336 1.00 0.00 C ATOM 1092 NH1 ARG A 77 0.619 -9.792 4.766 1.00 0.00 N ATOM 1093 NH2 ARG A 77 -1.473 -8.853 4.692 1.00 0.00 N ATOM 0 H ARG A 77 1.564 -3.391 1.664 1.00 0.00 H new ATOM 0 HA ARG A 77 3.214 -3.488 4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.265 -5.897 4.227 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.607 -5.359 4.410 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.128 -5.982 2.065 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.794 -6.476 1.842 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.843 -8.523 2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.316 -8.014 3.950 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.386 -7.150 3.241 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.603 -9.783 4.496 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.262 -10.535 5.367 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.102 -8.120 4.364 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.826 -9.597 5.293 1.00 0.00 H new ATOM 1107 N VAL A 78 5.118 -3.753 2.490 1.00 0.00 N ATOM 1108 CA VAL A 78 6.245 -3.809 1.567 1.00 0.00 C ATOM 1109 C VAL A 78 7.168 -4.977 1.895 1.00 0.00 C ATOM 1110 O VAL A 78 7.121 -5.529 2.996 1.00 0.00 O ATOM 1111 CB VAL A 78 7.060 -2.502 1.596 1.00 0.00 C ATOM 1112 CG1 VAL A 78 8.113 -2.504 0.498 1.00 0.00 C ATOM 1113 CG2 VAL A 78 6.140 -1.298 1.461 1.00 0.00 C ATOM 0 H VAL A 78 5.343 -3.367 3.407 1.00 0.00 H new ATOM 0 HA VAL A 78 5.829 -3.948 0.569 1.00 0.00 H new ATOM 0 HB VAL A 78 7.571 -2.435 2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.678 -1.573 0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.790 -3.346 0.645 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.626 -2.595 -0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.732 -0.383 1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.599 -1.357 0.516 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.428 -1.290 2.286 1.00 0.00 H new ATOM 1123 N LEU A 79 8.006 -5.350 0.935 1.00 0.00 N ATOM 1124 CA LEU A 79 8.942 -6.454 1.122 1.00 0.00 C ATOM 1125 C LEU A 79 10.132 -6.324 0.177 1.00 0.00 C ATOM 1126 O LEU A 79 9.968 -6.032 -1.007 1.00 0.00 O ATOM 1127 CB LEU A 79 8.236 -7.791 0.891 1.00 0.00 C ATOM 1128 CG LEU A 79 7.348 -7.876 -0.350 1.00 0.00 C ATOM 1129 CD1 LEU A 79 8.176 -8.228 -1.576 1.00 0.00 C ATOM 1130 CD2 LEU A 79 6.237 -8.895 -0.143 1.00 0.00 C ATOM 0 H LEU A 79 8.057 -4.905 0.019 1.00 0.00 H new ATOM 0 HA LEU A 79 9.310 -6.417 2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.993 -8.572 0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.625 -8.012 1.766 1.00 0.00 H new ATOM 0 HG LEU A 79 6.892 -6.900 -0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.527 -8.284 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.934 -7.461 -1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.662 -9.192 -1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.615 -8.942 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.673 -9.876 0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.626 -8.599 0.709 1.00 0.00 H new ATOM 1142 N ALA A 80 11.330 -6.545 0.709 1.00 0.00 N ATOM 1143 CA ALA A 80 12.548 -6.458 -0.088 1.00 0.00 C ATOM 1144 C ALA A 80 12.703 -7.678 -0.990 1.00 0.00 C ATOM 1145 O ALA A 80 12.350 -8.794 -0.607 1.00 0.00 O ATOM 1146 CB ALA A 80 13.761 -6.311 0.818 1.00 0.00 C ATOM 0 H ALA A 80 11.483 -6.786 1.688 1.00 0.00 H new ATOM 0 HA ALA A 80 12.474 -5.576 -0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.664 -6.247 0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 80 13.661 -5.405 1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.829 -7.175 1.478 1.00 0.00 H new ATOM 1152 N VAL A 81 13.232 -7.458 -2.189 1.00 0.00 N ATOM 1153 CA VAL A 81 13.434 -8.540 -3.145 1.00 0.00 C ATOM 1154 C VAL A 81 14.729 -8.349 -3.926 1.00 0.00 C ATOM 1155 O VAL A 81 14.967 -7.288 -4.502 1.00 0.00 O ATOM 1156 CB VAL A 81 12.259 -8.640 -4.137 1.00 0.00 C ATOM 1157 CG1 VAL A 81 12.366 -9.910 -4.966 1.00 0.00 C ATOM 1158 CG2 VAL A 81 10.931 -8.586 -3.396 1.00 0.00 C ATOM 0 H VAL A 81 13.528 -6.540 -2.522 1.00 0.00 H new ATOM 0 HA VAL A 81 13.493 -9.464 -2.569 1.00 0.00 H new ATOM 0 HB VAL A 81 12.305 -7.788 -4.816 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.528 -9.963 -5.661 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.301 -9.901 -5.526 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.346 -10.778 -4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.112 -8.658 -4.112 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.873 -9.417 -2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.856 -7.644 -2.852 1.00 0.00 H new ATOM 1168 N ASN A 82 15.563 -9.383 -3.942 1.00 0.00 N ATOM 1169 CA ASN A 82 16.835 -9.329 -4.653 1.00 0.00 C ATOM 1170 C ASN A 82 17.061 -10.603 -5.461 1.00 0.00 C ATOM 1171 O ASN A 82 16.199 -11.481 -5.510 1.00 0.00 O ATOM 1172 CB ASN A 82 17.986 -9.127 -3.665 1.00 0.00 C ATOM 1173 CG ASN A 82 18.383 -10.415 -2.969 1.00 0.00 C ATOM 1174 OD1 ASN A 82 19.130 -11.225 -3.517 1.00 0.00 O ATOM 1175 ND2 ASN A 82 17.883 -10.609 -1.754 1.00 0.00 N ATOM 0 H ASN A 82 15.381 -10.269 -3.471 1.00 0.00 H new ATOM 0 HA ASN A 82 16.803 -8.485 -5.342 1.00 0.00 H new ATOM 0 HB2 ASN A 82 18.849 -8.722 -4.194 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.695 -8.388 -2.918 1.00 0.00 H new ATOM 0 HD21 ASN A 82 18.115 -11.457 -1.237 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.267 -9.910 -1.338 1.00 0.00 H new ATOM 1182 N SER A 83 18.226 -10.697 -6.094 1.00 0.00 N ATOM 1183 CA SER A 83 18.565 -11.862 -6.904 1.00 0.00 C ATOM 1184 C SER A 83 17.974 -13.132 -6.300 1.00 0.00 C ATOM 1185 O SER A 83 17.316 -13.912 -6.990 1.00 0.00 O ATOM 1186 CB SER A 83 20.083 -11.999 -7.027 1.00 0.00 C ATOM 1187 OG SER A 83 20.572 -11.280 -8.145 1.00 0.00 O ATOM 0 H SER A 83 18.951 -9.981 -6.062 1.00 0.00 H new ATOM 0 HA SER A 83 18.139 -11.721 -7.898 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.559 -11.631 -6.118 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.349 -13.052 -7.123 1.00 0.00 H new ATOM 0 HG SER A 83 21.545 -11.383 -8.200 1.00 0.00 H new ATOM 1193 N ILE A 84 18.215 -13.334 -5.009 1.00 0.00 N ATOM 1194 CA ILE A 84 17.707 -14.509 -4.312 1.00 0.00 C ATOM 1195 C ILE A 84 16.194 -14.625 -4.461 1.00 0.00 C ATOM 1196 O ILE A 84 15.682 -15.640 -4.932 1.00 0.00 O ATOM 1197 CB ILE A 84 18.063 -14.473 -2.814 1.00 0.00 C ATOM 1198 CG1 ILE A 84 19.560 -14.216 -2.630 1.00 0.00 C ATOM 1199 CG2 ILE A 84 17.657 -15.776 -2.142 1.00 0.00 C ATOM 1200 CD1 ILE A 84 20.418 -14.837 -3.710 1.00 0.00 C ATOM 0 H ILE A 84 18.759 -12.699 -4.425 1.00 0.00 H new ATOM 0 HA ILE A 84 18.182 -15.377 -4.769 1.00 0.00 H new ATOM 0 HB ILE A 84 17.513 -13.658 -2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 84 19.736 -13.140 -2.611 1.00 0.00 H new ATOM 0 HG13 ILE A 84 19.871 -14.607 -1.661 1.00 0.00 H new ATOM 0 HG21 ILE A 84 17.915 -15.735 -1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.582 -15.920 -2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 84 18.183 -16.607 -2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 84 21.467 -14.614 -3.515 1.00 0.00 H new ATOM 0 HD12 ILE A 84 20.272 -15.917 -3.715 1.00 0.00 H new ATOM 0 HD13 ILE A 84 20.135 -14.428 -4.680 1.00 0.00 H new ATOM 1212 N GLY A 85 15.483 -13.576 -4.058 1.00 0.00 N ATOM 1213 CA GLY A 85 14.035 -13.580 -4.156 1.00 0.00 C ATOM 1214 C GLY A 85 13.390 -12.556 -3.243 1.00 0.00 C ATOM 1215 O GLY A 85 14.068 -11.686 -2.697 1.00 0.00 O ATOM 0 H GLY A 85 15.884 -12.724 -3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.743 -13.379 -5.187 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.660 -14.572 -3.907 1.00 0.00 H new ATOM 1219 N ARG A 86 12.075 -12.659 -3.077 1.00 0.00 N ATOM 1220 CA ARG A 86 11.337 -11.733 -2.226 1.00 0.00 C ATOM 1221 C ARG A 86 11.286 -12.239 -0.788 1.00 0.00 C ATOM 1222 O ARG A 86 10.980 -13.405 -0.539 1.00 0.00 O ATOM 1223 CB ARG A 86 9.917 -11.538 -2.760 1.00 0.00 C ATOM 1224 CG ARG A 86 8.985 -12.697 -2.450 1.00 0.00 C ATOM 1225 CD ARG A 86 8.255 -12.489 -1.132 1.00 0.00 C ATOM 1226 NE ARG A 86 6.938 -13.120 -1.130 1.00 0.00 N ATOM 1227 CZ ARG A 86 5.952 -12.766 -1.946 1.00 0.00 C ATOM 1228 NH1 ARG A 86 6.133 -11.790 -2.826 1.00 0.00 N ATOM 1229 NH2 ARG A 86 4.782 -13.388 -1.884 1.00 0.00 N ATOM 0 H ARG A 86 11.499 -13.374 -3.521 1.00 0.00 H new ATOM 0 HA ARG A 86 11.857 -10.775 -2.237 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.501 -10.625 -2.335 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.960 -11.397 -3.840 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.259 -12.807 -3.256 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.557 -13.624 -2.408 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.854 -12.897 -0.318 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.146 -11.421 -0.943 1.00 0.00 H new ATOM 0 HE ARG A 86 6.766 -13.874 -0.465 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.031 -11.309 -2.877 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.374 -11.520 -3.452 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.639 -14.139 -1.209 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.025 -13.115 -2.511 1.00 0.00 H new ATOM 1243 N GLY A 87 11.590 -11.354 0.157 1.00 0.00 N ATOM 1244 CA GLY A 87 11.574 -11.731 1.559 1.00 0.00 C ATOM 1245 C GLY A 87 10.199 -11.588 2.181 1.00 0.00 C ATOM 1246 O GLY A 87 9.206 -11.344 1.495 1.00 0.00 O ATOM 0 H GLY A 87 11.847 -10.383 -0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 87 11.909 -12.763 1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.284 -11.111 2.107 1.00 0.00 H new ATOM 1250 N PRO A 88 10.128 -11.744 3.511 1.00 0.00 N ATOM 1251 CA PRO A 88 8.870 -11.637 4.255 1.00 0.00 C ATOM 1252 C PRO A 88 8.340 -10.207 4.296 1.00 0.00 C ATOM 1253 O PRO A 88 9.100 -9.238 4.292 1.00 0.00 O ATOM 1254 CB PRO A 88 9.248 -12.107 5.662 1.00 0.00 C ATOM 1255 CG PRO A 88 10.709 -11.837 5.772 1.00 0.00 C ATOM 1256 CD PRO A 88 11.272 -12.036 4.392 1.00 0.00 C ATOM 0 HA PRO A 88 8.074 -12.222 3.795 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.687 -11.566 6.424 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.030 -13.166 5.797 1.00 0.00 H new ATOM 0 HG2 PRO A 88 10.893 -10.823 6.126 1.00 0.00 H new ATOM 0 HG3 PRO A 88 11.178 -12.514 6.486 1.00 0.00 H new ATOM 0 HD2 PRO A 88 12.109 -11.365 4.199 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.639 -13.053 4.250 1.00 0.00 H new ATOM 1264 N PRO A 89 7.007 -10.070 4.337 1.00 0.00 N ATOM 1265 CA PRO A 89 6.346 -8.762 4.381 1.00 0.00 C ATOM 1266 C PRO A 89 6.559 -8.050 5.712 1.00 0.00 C ATOM 1267 O PRO A 89 6.792 -8.688 6.739 1.00 0.00 O ATOM 1268 CB PRO A 89 4.867 -9.105 4.189 1.00 0.00 C ATOM 1269 CG PRO A 89 4.737 -10.508 4.673 1.00 0.00 C ATOM 1270 CD PRO A 89 6.041 -11.182 4.345 1.00 0.00 C ATOM 0 HA PRO A 89 6.741 -8.080 3.628 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.227 -8.430 4.757 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.573 -9.018 3.143 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.543 -10.534 5.745 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.903 -11.013 4.186 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.302 -11.936 5.088 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.001 -11.687 3.380 1.00 0.00 H new ATOM 1278 N SER A 90 6.477 -6.723 5.688 1.00 0.00 N ATOM 1279 CA SER A 90 6.664 -5.923 6.893 1.00 0.00 C ATOM 1280 C SER A 90 5.337 -5.707 7.613 1.00 0.00 C ATOM 1281 O SER A 90 4.270 -5.978 7.063 1.00 0.00 O ATOM 1282 CB SER A 90 7.293 -4.574 6.542 1.00 0.00 C ATOM 1283 OG SER A 90 7.442 -3.765 7.696 1.00 0.00 O ATOM 0 H SER A 90 6.282 -6.179 4.847 1.00 0.00 H new ATOM 0 HA SER A 90 7.334 -6.466 7.560 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.266 -4.733 6.077 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.671 -4.058 5.810 1.00 0.00 H new ATOM 0 HG SER A 90 8.383 -3.509 7.797 1.00 0.00 H new ATOM 1289 N GLU A 91 5.412 -5.216 8.846 1.00 0.00 N ATOM 1290 CA GLU A 91 4.217 -4.964 9.641 1.00 0.00 C ATOM 1291 C GLU A 91 3.100 -4.385 8.777 1.00 0.00 C ATOM 1292 O GLU A 91 3.187 -3.249 8.312 1.00 0.00 O ATOM 1293 CB GLU A 91 4.535 -4.006 10.792 1.00 0.00 C ATOM 1294 CG GLU A 91 5.280 -2.756 10.354 1.00 0.00 C ATOM 1295 CD GLU A 91 5.901 -2.009 11.518 1.00 0.00 C ATOM 1296 OE1 GLU A 91 6.872 -2.528 12.107 1.00 0.00 O ATOM 1297 OE2 GLU A 91 5.415 -0.904 11.841 1.00 0.00 O ATOM 0 H GLU A 91 6.288 -4.985 9.315 1.00 0.00 H new ATOM 0 HA GLU A 91 3.879 -5.915 10.052 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.604 -3.713 11.278 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.131 -4.532 11.537 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.061 -3.033 9.646 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.593 -2.094 9.827 1.00 0.00 H new ATOM 1304 N ALA A 92 2.053 -5.175 8.567 1.00 0.00 N ATOM 1305 CA ALA A 92 0.919 -4.742 7.761 1.00 0.00 C ATOM 1306 C ALA A 92 0.253 -3.511 8.366 1.00 0.00 C ATOM 1307 O ALA A 92 -0.179 -3.530 9.519 1.00 0.00 O ATOM 1308 CB ALA A 92 -0.089 -5.872 7.616 1.00 0.00 C ATOM 0 H ALA A 92 1.967 -6.119 8.944 1.00 0.00 H new ATOM 0 HA ALA A 92 1.291 -4.473 6.772 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.930 -5.534 7.011 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.387 -6.724 7.131 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.447 -6.169 8.602 1.00 0.00 H new ATOM 1314 N VAL A 93 0.173 -2.440 7.582 1.00 0.00 N ATOM 1315 CA VAL A 93 -0.441 -1.200 8.041 1.00 0.00 C ATOM 1316 C VAL A 93 -1.777 -0.959 7.348 1.00 0.00 C ATOM 1317 O VAL A 93 -1.879 -1.054 6.125 1.00 0.00 O ATOM 1318 CB VAL A 93 0.481 0.008 7.792 1.00 0.00 C ATOM 1319 CG1 VAL A 93 1.796 -0.161 8.536 1.00 0.00 C ATOM 1320 CG2 VAL A 93 0.722 0.195 6.302 1.00 0.00 C ATOM 0 H VAL A 93 0.526 -2.407 6.626 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.606 -1.306 9.113 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.011 0.903 8.173 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.434 0.702 8.348 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.601 -0.242 9.605 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.297 -1.065 8.189 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.376 1.053 6.144 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.193 -0.700 5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.229 0.366 5.798 1.00 0.00 H new ATOM 1330 N ARG A 94 -2.799 -0.645 8.137 1.00 0.00 N ATOM 1331 CA ARG A 94 -4.130 -0.390 7.599 1.00 0.00 C ATOM 1332 C ARG A 94 -4.398 1.109 7.499 1.00 0.00 C ATOM 1333 O ARG A 94 -4.359 1.825 8.499 1.00 0.00 O ATOM 1334 CB ARG A 94 -5.194 -1.051 8.477 1.00 0.00 C ATOM 1335 CG ARG A 94 -5.432 -2.516 8.146 1.00 0.00 C ATOM 1336 CD ARG A 94 -6.714 -3.029 8.783 1.00 0.00 C ATOM 1337 NE ARG A 94 -6.744 -4.488 8.853 1.00 0.00 N ATOM 1338 CZ ARG A 94 -7.737 -5.176 9.405 1.00 0.00 C ATOM 1339 NH1 ARG A 94 -8.775 -4.543 9.932 1.00 0.00 N ATOM 1340 NH2 ARG A 94 -7.692 -6.502 9.430 1.00 0.00 N ATOM 0 H ARG A 94 -2.731 -0.561 9.151 1.00 0.00 H new ATOM 0 HA ARG A 94 -4.178 -0.818 6.598 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -4.894 -0.967 9.522 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.132 -0.506 8.370 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.486 -2.642 7.065 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.588 -3.111 8.494 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -6.811 -2.616 9.787 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.571 -2.676 8.209 1.00 0.00 H new ATOM 0 HE ARG A 94 -5.960 -5.006 8.457 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.813 -3.524 9.915 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.536 -5.075 10.355 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.895 -6.993 9.025 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -8.455 -7.030 9.854 1.00 0.00 H new ATOM 1354 N ALA A 95 -4.668 1.577 6.285 1.00 0.00 N ATOM 1355 CA ALA A 95 -4.944 2.989 6.054 1.00 0.00 C ATOM 1356 C ALA A 95 -6.244 3.176 5.280 1.00 0.00 C ATOM 1357 O ALA A 95 -6.406 2.641 4.183 1.00 0.00 O ATOM 1358 CB ALA A 95 -3.786 3.638 5.310 1.00 0.00 C ATOM 0 H ALA A 95 -4.701 0.998 5.446 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.057 3.475 7.023 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.006 4.693 5.144 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.876 3.546 5.902 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.646 3.141 4.350 1.00 0.00 H new ATOM 1364 N ARG A 96 -7.168 3.937 5.857 1.00 0.00 N ATOM 1365 CA ARG A 96 -8.455 4.192 5.222 1.00 0.00 C ATOM 1366 C ARG A 96 -8.377 5.409 4.305 1.00 0.00 C ATOM 1367 O ARG A 96 -7.916 6.477 4.709 1.00 0.00 O ATOM 1368 CB ARG A 96 -9.538 4.406 6.281 1.00 0.00 C ATOM 1369 CG ARG A 96 -10.942 4.099 5.787 1.00 0.00 C ATOM 1370 CD ARG A 96 -11.973 4.289 6.889 1.00 0.00 C ATOM 1371 NE ARG A 96 -11.940 3.201 7.863 1.00 0.00 N ATOM 1372 CZ ARG A 96 -12.752 3.129 8.911 1.00 0.00 C ATOM 1373 NH1 ARG A 96 -13.656 4.076 9.120 1.00 0.00 N ATOM 1374 NH2 ARG A 96 -12.661 2.107 9.753 1.00 0.00 N ATOM 0 H ARG A 96 -7.049 4.388 6.764 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.713 3.321 4.620 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.320 3.777 7.144 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.500 5.440 6.623 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.183 4.748 4.945 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.984 3.073 5.420 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.790 5.236 7.397 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.968 4.351 6.448 1.00 0.00 H new ATOM 0 HE ARG A 96 -11.256 2.456 7.731 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.729 4.863 8.475 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -14.278 4.018 9.926 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -11.967 1.376 9.595 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.285 2.052 10.558 1.00 0.00 H new ATOM 1388 N THR A 97 -8.830 5.241 3.066 1.00 0.00 N ATOM 1389 CA THR A 97 -8.810 6.324 2.091 1.00 0.00 C ATOM 1390 C THR A 97 -9.934 7.320 2.353 1.00 0.00 C ATOM 1391 O THR A 97 -10.953 6.977 2.951 1.00 0.00 O ATOM 1392 CB THR A 97 -8.939 5.788 0.653 1.00 0.00 C ATOM 1393 OG1 THR A 97 -10.303 5.453 0.375 1.00 0.00 O ATOM 1394 CG2 THR A 97 -8.060 4.563 0.451 1.00 0.00 C ATOM 0 H THR A 97 -9.215 4.364 2.714 1.00 0.00 H new ATOM 0 HA THR A 97 -7.849 6.828 2.198 1.00 0.00 H new ATOM 0 HB THR A 97 -8.610 6.569 -0.033 1.00 0.00 H new ATOM 0 HG1 THR A 97 -10.338 4.817 -0.370 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.168 4.202 -0.572 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.019 4.828 0.634 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.363 3.779 1.146 1.00 0.00 H new ATOM 1402 N GLY A 98 -9.742 8.555 1.900 1.00 0.00 N ATOM 1403 CA GLY A 98 -10.749 9.582 2.095 1.00 0.00 C ATOM 1404 C GLY A 98 -11.972 9.366 1.226 1.00 0.00 C ATOM 1405 O GLY A 98 -11.990 8.473 0.380 1.00 0.00 O ATOM 0 H GLY A 98 -8.907 8.863 1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.050 9.598 3.143 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.317 10.558 1.873 1.00 0.00 H new