USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 592 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 14 CYS SG : rot 180:sc= 0.174 USER MOD Set 1.2: A 16 SER OG : rot 180:sc= 0.00305 USER MOD Set 1.3: A 17 CYS SG : rot 67:sc= 0.584 USER MOD Set 2.1: A 13 THR OG1 : rot 79:sc= 0.0417 USER MOD Set 2.2: A 41 GLN : amide:sc= 0.655 K(o=0.7,f=-0.13) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 176:sc= 1.26 (180deg=-0.00415) USER MOD Set 3.2: A 44 THR OG1 : rot 168:sc= 0.844 USER MOD Single : A 7 MET CE :methyl -125:sc= 0 (180deg=-0.0277) USER MOD Single : A 8 LYS NZ :NH3+ -177:sc= 1.25 (180deg=1.17) USER MOD Single : A 12 MET CE :methyl -163:sc= -0.318 (180deg=-0.338) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 18 THR OG1 : rot 153:sc= -0.29 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 32 GLN : amide:sc= 0.769 K(o=0.77,f=-1.7!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0.038) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.271 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.602 X(o=-0.6,f=-0.19) USER MOD Single : A 53 SER OG : rot 180:sc= 0.151 USER MOD Single : A 57 MET CE :methyl 157:sc= -0.618 (180deg=-2.7) USER MOD Single : A 58 LYS NZ :NH3+ -171:sc= 0.498 (180deg=0.341) USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= -0.0323 (180deg=-0.173) USER MOD Single : A 60 GLN : amide:sc= 1.19 K(o=1.2,f=-0.77) USER MOD Single : A 64 MET CE :methyl -121:sc= 0 (180deg=-0.00453) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N GLU A 2 1.925 0.531 14.537 1.00 0.00 N ATOM 11 CA GLU A 2 1.560 0.614 13.133 1.00 0.00 C ATOM 12 C GLU A 2 1.306 -0.796 12.581 1.00 0.00 C ATOM 13 O GLU A 2 1.764 -1.782 13.164 1.00 0.00 O ATOM 14 CB GLU A 2 2.693 1.318 12.361 1.00 0.00 C ATOM 15 CG GLU A 2 4.088 0.669 12.520 1.00 0.00 C ATOM 16 CD GLU A 2 4.904 1.198 13.701 1.00 0.00 C ATOM 17 OE1 GLU A 2 4.549 0.842 14.845 1.00 0.00 O ATOM 18 OE2 GLU A 2 5.849 1.976 13.446 1.00 0.00 O ATOM 0 HA GLU A 2 0.644 1.193 13.015 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.435 1.336 11.302 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.750 2.355 12.693 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.963 -0.408 12.635 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.655 0.828 11.603 1.00 0.00 H new ATOM 25 N VAL A 3 0.584 -0.912 11.463 1.00 0.00 N ATOM 26 CA VAL A 3 0.316 -2.180 10.836 1.00 0.00 C ATOM 27 C VAL A 3 0.830 -2.139 9.398 1.00 0.00 C ATOM 28 O VAL A 3 0.549 -1.187 8.666 1.00 0.00 O ATOM 29 CB VAL A 3 -1.162 -2.528 10.985 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.604 -2.549 12.454 1.00 0.00 C ATOM 31 CG2 VAL A 3 -2.066 -1.641 10.150 1.00 0.00 C ATOM 0 H VAL A 3 0.173 -0.116 10.976 1.00 0.00 H new ATOM 0 HA VAL A 3 0.851 -2.994 11.325 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.269 -3.540 10.593 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.663 -2.801 12.512 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.023 -3.294 12.998 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.440 -1.567 12.897 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.104 -1.937 10.298 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.938 -0.602 10.454 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.806 -1.745 9.097 1.00 0.00 H new ATOM 41 N VAL A 4 1.611 -3.155 9.014 1.00 0.00 N ATOM 42 CA VAL A 4 2.058 -3.347 7.650 1.00 0.00 C ATOM 43 C VAL A 4 1.041 -4.235 6.941 1.00 0.00 C ATOM 44 O VAL A 4 0.820 -5.384 7.333 1.00 0.00 O ATOM 45 CB VAL A 4 3.459 -3.955 7.629 1.00 0.00 C ATOM 46 CG1 VAL A 4 3.828 -4.462 6.235 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.515 -2.966 8.115 1.00 0.00 C ATOM 0 H VAL A 4 1.949 -3.870 9.658 1.00 0.00 H new ATOM 0 HA VAL A 4 2.124 -2.392 7.128 1.00 0.00 H new ATOM 0 HB VAL A 4 3.440 -4.801 8.316 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.831 -4.888 6.257 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.115 -5.227 5.926 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.801 -3.633 5.527 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.497 -3.438 8.084 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.515 -2.087 7.470 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.289 -2.666 9.138 1.00 0.00 H new ATOM 57 N LEU A 5 0.441 -3.709 5.879 1.00 0.00 N ATOM 58 CA LEU A 5 -0.448 -4.422 4.996 1.00 0.00 C ATOM 59 C LEU A 5 0.392 -4.776 3.772 1.00 0.00 C ATOM 60 O LEU A 5 1.140 -3.919 3.291 1.00 0.00 O ATOM 61 CB LEU A 5 -1.597 -3.456 4.697 1.00 0.00 C ATOM 62 CG LEU A 5 -2.770 -4.020 3.896 1.00 0.00 C ATOM 63 CD1 LEU A 5 -2.398 -4.290 2.438 1.00 0.00 C ATOM 64 CD2 LEU A 5 -3.337 -5.246 4.613 1.00 0.00 C ATOM 0 H LEU A 5 0.572 -2.735 5.607 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.877 -5.342 5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.981 -3.079 5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.192 -2.602 4.154 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.559 -3.269 3.848 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.264 -4.690 1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.082 -3.360 1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.583 -5.013 2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.174 -5.647 4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.561 -6.006 4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.681 -4.959 5.607 1.00 0.00 H new ATOM 76 N LYS A 6 0.312 -6.029 3.302 1.00 0.00 N ATOM 77 CA LYS A 6 1.058 -6.504 2.150 1.00 0.00 C ATOM 78 C LYS A 6 0.039 -6.926 1.091 1.00 0.00 C ATOM 79 O LYS A 6 -0.752 -7.850 1.309 1.00 0.00 O ATOM 80 CB LYS A 6 1.989 -7.659 2.555 1.00 0.00 C ATOM 81 CG LYS A 6 3.383 -7.550 1.938 1.00 0.00 C ATOM 82 CD LYS A 6 4.288 -6.558 2.679 1.00 0.00 C ATOM 83 CE LYS A 6 5.696 -6.651 2.073 1.00 0.00 C ATOM 84 NZ LYS A 6 6.648 -5.716 2.695 1.00 0.00 N ATOM 0 H LYS A 6 -0.283 -6.742 3.723 1.00 0.00 H new ATOM 0 HA LYS A 6 1.700 -5.722 1.744 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.080 -7.681 3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.538 -8.604 2.254 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.853 -8.533 1.939 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.291 -7.242 0.897 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.899 -5.544 2.584 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.316 -6.790 3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.068 -7.669 2.185 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.640 -6.448 1.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.596 -5.869 2.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.347 -4.738 2.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.675 -5.880 3.722 1.00 0.00 H new ATOM 98 N MET A 7 0.039 -6.219 -0.036 1.00 0.00 N ATOM 99 CA MET A 7 -0.812 -6.471 -1.176 1.00 0.00 C ATOM 100 C MET A 7 0.067 -6.824 -2.369 1.00 0.00 C ATOM 101 O MET A 7 0.979 -6.076 -2.698 1.00 0.00 O ATOM 102 CB MET A 7 -1.689 -5.248 -1.466 1.00 0.00 C ATOM 103 CG MET A 7 -1.030 -3.911 -1.134 1.00 0.00 C ATOM 104 SD MET A 7 -1.824 -2.429 -1.810 1.00 0.00 S ATOM 105 CE MET A 7 -3.341 -2.372 -0.830 1.00 0.00 C ATOM 0 H MET A 7 0.661 -5.423 -0.177 1.00 0.00 H new ATOM 0 HA MET A 7 -1.481 -7.306 -0.969 1.00 0.00 H new ATOM 0 HB2 MET A 7 -1.962 -5.253 -2.521 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.614 -5.335 -0.896 1.00 0.00 H new ATOM 0 HG2 MET A 7 -0.988 -3.811 -0.049 1.00 0.00 H new ATOM 0 HG3 MET A 7 -0.001 -3.940 -1.491 1.00 0.00 H new ATOM 0 HE1 MET A 7 -4.204 -2.346 -1.496 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.399 -3.257 -0.197 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.337 -1.479 -0.205 1.00 0.00 H new ATOM 115 N LYS A 8 -0.197 -7.955 -3.022 1.00 0.00 N ATOM 116 CA LYS A 8 0.444 -8.224 -4.307 1.00 0.00 C ATOM 117 C LYS A 8 -0.165 -7.260 -5.314 1.00 0.00 C ATOM 118 O LYS A 8 -1.364 -7.017 -5.232 1.00 0.00 O ATOM 119 CB LYS A 8 0.212 -9.670 -4.743 1.00 0.00 C ATOM 120 CG LYS A 8 1.224 -10.633 -4.139 1.00 0.00 C ATOM 121 CD LYS A 8 1.264 -10.565 -2.609 1.00 0.00 C ATOM 122 CE LYS A 8 2.217 -11.632 -2.056 1.00 0.00 C ATOM 123 NZ LYS A 8 2.549 -11.388 -0.639 1.00 0.00 N ATOM 0 H LYS A 8 -0.833 -8.682 -2.693 1.00 0.00 H new ATOM 0 HA LYS A 8 1.522 -8.084 -4.233 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.793 -9.976 -4.453 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.263 -9.730 -5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.981 -11.650 -4.447 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.214 -10.408 -4.535 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.590 -9.575 -2.290 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.263 -10.716 -2.205 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.760 -12.616 -2.158 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.133 -11.643 -2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.234 -12.100 -0.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.962 -10.439 -0.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.685 -11.453 -0.064 1.00 0.00 H new ATOM 137 N VAL A 9 0.625 -6.705 -6.229 1.00 0.00 N ATOM 138 CA VAL A 9 0.146 -5.802 -7.254 1.00 0.00 C ATOM 139 C VAL A 9 0.704 -6.286 -8.583 1.00 0.00 C ATOM 140 O VAL A 9 1.836 -6.749 -8.638 1.00 0.00 O ATOM 141 CB VAL A 9 0.597 -4.367 -6.951 1.00 0.00 C ATOM 142 CG1 VAL A 9 -0.154 -3.796 -5.745 1.00 0.00 C ATOM 143 CG2 VAL A 9 2.110 -4.264 -6.738 1.00 0.00 C ATOM 0 H VAL A 9 1.629 -6.877 -6.274 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.943 -5.794 -7.289 1.00 0.00 H new ATOM 0 HB VAL A 9 0.352 -3.771 -7.830 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.186 -2.778 -5.553 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.224 -3.788 -5.953 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.041 -4.415 -4.869 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.378 -3.229 -6.527 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.403 -4.893 -5.898 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.628 -4.596 -7.638 1.00 0.00 H new ATOM 153 N GLU A 10 -0.084 -6.176 -9.644 1.00 0.00 N ATOM 154 CA GLU A 10 0.293 -6.658 -10.963 1.00 0.00 C ATOM 155 C GLU A 10 0.769 -5.482 -11.822 1.00 0.00 C ATOM 156 O GLU A 10 0.435 -4.325 -11.559 1.00 0.00 O ATOM 157 CB GLU A 10 -0.907 -7.373 -11.601 1.00 0.00 C ATOM 158 CG GLU A 10 -1.383 -8.585 -10.778 1.00 0.00 C ATOM 159 CD GLU A 10 -0.409 -9.758 -10.828 1.00 0.00 C ATOM 160 OE1 GLU A 10 0.026 -10.079 -11.956 1.00 0.00 O ATOM 161 OE2 GLU A 10 -0.150 -10.328 -9.747 1.00 0.00 O ATOM 0 H GLU A 10 -1.009 -5.747 -9.612 1.00 0.00 H new ATOM 0 HA GLU A 10 1.114 -7.371 -10.885 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.730 -6.667 -11.709 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.637 -7.704 -12.604 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.524 -8.280 -9.741 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.355 -8.910 -11.149 1.00 0.00 H new ATOM 168 N GLY A 11 1.537 -5.769 -12.874 1.00 0.00 N ATOM 169 CA GLY A 11 1.734 -4.838 -13.981 1.00 0.00 C ATOM 170 C GLY A 11 2.841 -3.806 -13.755 1.00 0.00 C ATOM 171 O GLY A 11 3.557 -3.468 -14.696 1.00 0.00 O ATOM 0 H GLY A 11 2.038 -6.651 -12.981 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.965 -5.408 -14.881 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.798 -4.312 -14.168 1.00 0.00 H new ATOM 175 N MET A 12 2.980 -3.270 -12.539 1.00 0.00 N ATOM 176 CA MET A 12 4.023 -2.292 -12.243 1.00 0.00 C ATOM 177 C MET A 12 5.414 -2.909 -12.434 1.00 0.00 C ATOM 178 O MET A 12 5.873 -3.678 -11.589 1.00 0.00 O ATOM 179 CB MET A 12 3.851 -1.730 -10.827 1.00 0.00 C ATOM 180 CG MET A 12 2.563 -0.904 -10.719 1.00 0.00 C ATOM 181 SD MET A 12 2.489 0.227 -9.310 1.00 0.00 S ATOM 182 CE MET A 12 2.439 -0.946 -7.946 1.00 0.00 C ATOM 0 H MET A 12 2.382 -3.499 -11.745 1.00 0.00 H new ATOM 0 HA MET A 12 3.928 -1.463 -12.944 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.825 -2.548 -10.107 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.709 -1.108 -10.571 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.443 -0.326 -11.635 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.716 -1.587 -10.661 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.093 -0.441 -7.044 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.756 -1.760 -8.191 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.437 -1.349 -7.776 1.00 0.00 H new ATOM 192 N THR A 13 6.073 -2.594 -13.551 1.00 0.00 N ATOM 193 CA THR A 13 7.373 -3.124 -13.933 1.00 0.00 C ATOM 194 C THR A 13 8.274 -1.982 -14.433 1.00 0.00 C ATOM 195 O THR A 13 9.111 -2.171 -15.312 1.00 0.00 O ATOM 196 CB THR A 13 7.134 -4.241 -14.961 1.00 0.00 C ATOM 197 OG1 THR A 13 6.199 -5.164 -14.440 1.00 0.00 O ATOM 198 CG2 THR A 13 8.384 -5.040 -15.323 1.00 0.00 C ATOM 0 H THR A 13 5.698 -1.938 -14.236 1.00 0.00 H new ATOM 0 HA THR A 13 7.907 -3.562 -13.090 1.00 0.00 H new ATOM 0 HB THR A 13 6.783 -3.736 -15.861 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.294 -4.798 -14.528 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.127 -5.807 -16.053 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.133 -4.371 -15.747 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.786 -5.513 -14.427 1.00 0.00 H new ATOM 206 N CYS A 14 8.134 -0.789 -13.850 1.00 0.00 N ATOM 207 CA CYS A 14 9.086 0.299 -13.986 1.00 0.00 C ATOM 208 C CYS A 14 9.057 1.053 -12.665 1.00 0.00 C ATOM 209 O CYS A 14 8.134 0.852 -11.872 1.00 0.00 O ATOM 210 CB CYS A 14 8.738 1.204 -15.175 1.00 0.00 C ATOM 211 SG CYS A 14 7.293 2.276 -14.957 1.00 0.00 S ATOM 0 H CYS A 14 7.336 -0.555 -13.259 1.00 0.00 H new ATOM 0 HA CYS A 14 10.089 -0.075 -14.194 1.00 0.00 H new ATOM 0 HB2 CYS A 14 9.602 1.831 -15.394 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.571 0.575 -16.049 1.00 0.00 H new ATOM 0 HG CYS A 14 7.113 2.986 -16.031 1.00 0.00 H new ATOM 216 N HIS A 15 10.060 1.896 -12.415 1.00 0.00 N ATOM 217 CA HIS A 15 10.148 2.625 -11.160 1.00 0.00 C ATOM 218 C HIS A 15 9.087 3.732 -11.082 1.00 0.00 C ATOM 219 O HIS A 15 8.688 4.143 -9.991 1.00 0.00 O ATOM 220 CB HIS A 15 11.569 3.157 -10.944 1.00 0.00 C ATOM 221 CG HIS A 15 11.880 3.341 -9.480 1.00 0.00 C ATOM 222 ND1 HIS A 15 12.044 2.326 -8.563 1.00 0.00 N ATOM 223 CD2 HIS A 15 11.964 4.529 -8.804 1.00 0.00 C ATOM 224 CE1 HIS A 15 12.230 2.896 -7.360 1.00 0.00 C ATOM 225 NE2 HIS A 15 12.193 4.235 -7.457 1.00 0.00 N ATOM 0 H HIS A 15 10.820 2.087 -13.068 1.00 0.00 H new ATOM 0 HA HIS A 15 9.934 1.936 -10.343 1.00 0.00 H new ATOM 0 HB2 HIS A 15 12.287 2.465 -11.384 1.00 0.00 H new ATOM 0 HB3 HIS A 15 11.684 4.109 -11.463 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.870 5.515 -9.234 1.00 0.00 H new ATOM 0 HE1 HIS A 15 12.388 2.351 -6.441 1.00 0.00 H new ATOM 0 HE2 HIS A 15 12.309 4.905 -6.697 1.00 0.00 H new ATOM 233 N SER A 16 8.634 4.226 -12.238 1.00 0.00 N ATOM 234 CA SER A 16 7.689 5.322 -12.317 1.00 0.00 C ATOM 235 C SER A 16 6.389 4.994 -11.584 1.00 0.00 C ATOM 236 O SER A 16 5.999 5.753 -10.700 1.00 0.00 O ATOM 237 CB SER A 16 7.448 5.689 -13.784 1.00 0.00 C ATOM 238 OG SER A 16 8.701 5.786 -14.440 1.00 0.00 O ATOM 0 H SER A 16 8.921 3.867 -13.148 1.00 0.00 H new ATOM 0 HA SER A 16 8.112 6.191 -11.813 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.827 4.934 -14.265 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.911 6.635 -13.854 1.00 0.00 H new ATOM 0 HG SER A 16 8.560 6.019 -15.381 1.00 0.00 H new ATOM 244 N CYS A 17 5.715 3.892 -11.935 1.00 0.00 N ATOM 245 CA CYS A 17 4.419 3.562 -11.350 1.00 0.00 C ATOM 246 C CYS A 17 4.532 3.420 -9.831 1.00 0.00 C ATOM 247 O CYS A 17 3.834 4.108 -9.085 1.00 0.00 O ATOM 248 CB CYS A 17 3.845 2.288 -11.982 1.00 0.00 C ATOM 249 SG CYS A 17 3.776 2.266 -13.791 1.00 0.00 S ATOM 0 H CYS A 17 6.050 3.216 -12.622 1.00 0.00 H new ATOM 0 HA CYS A 17 3.730 4.380 -11.561 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.443 1.439 -11.650 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.836 2.137 -11.597 1.00 0.00 H new ATOM 0 HG CYS A 17 4.984 2.249 -14.271 1.00 0.00 H new ATOM 254 N THR A 18 5.433 2.539 -9.388 1.00 0.00 N ATOM 255 CA THR A 18 5.707 2.305 -7.976 1.00 0.00 C ATOM 256 C THR A 18 5.933 3.636 -7.253 1.00 0.00 C ATOM 257 O THR A 18 5.180 3.961 -6.338 1.00 0.00 O ATOM 258 CB THR A 18 6.837 1.267 -7.778 1.00 0.00 C ATOM 259 OG1 THR A 18 7.246 1.227 -6.433 1.00 0.00 O ATOM 260 CG2 THR A 18 8.102 1.536 -8.578 1.00 0.00 C ATOM 0 H THR A 18 5.998 1.963 -10.012 1.00 0.00 H new ATOM 0 HA THR A 18 4.833 1.851 -7.509 1.00 0.00 H new ATOM 0 HB THR A 18 6.390 0.334 -8.122 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.602 0.338 -6.226 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.835 0.756 -8.373 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.865 1.541 -9.642 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.514 2.504 -8.293 1.00 0.00 H new ATOM 268 N SER A 19 6.905 4.441 -7.695 1.00 0.00 N ATOM 269 CA SER A 19 7.220 5.719 -7.065 1.00 0.00 C ATOM 270 C SER A 19 6.010 6.661 -7.086 1.00 0.00 C ATOM 271 O SER A 19 5.720 7.316 -6.089 1.00 0.00 O ATOM 272 CB SER A 19 8.437 6.330 -7.770 1.00 0.00 C ATOM 273 OG SER A 19 8.861 7.510 -7.118 1.00 0.00 O ATOM 0 H SER A 19 7.493 4.221 -8.499 1.00 0.00 H new ATOM 0 HA SER A 19 7.465 5.560 -6.015 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.252 5.607 -7.787 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.187 6.553 -8.807 1.00 0.00 H new ATOM 0 HG SER A 19 9.639 7.880 -7.585 1.00 0.00 H new ATOM 279 N THR A 20 5.278 6.724 -8.203 1.00 0.00 N ATOM 280 CA THR A 20 4.082 7.551 -8.306 1.00 0.00 C ATOM 281 C THR A 20 3.075 7.160 -7.224 1.00 0.00 C ATOM 282 O THR A 20 2.545 8.028 -6.533 1.00 0.00 O ATOM 283 CB THR A 20 3.478 7.455 -9.715 1.00 0.00 C ATOM 284 OG1 THR A 20 4.406 7.957 -10.652 1.00 0.00 O ATOM 285 CG2 THR A 20 2.189 8.272 -9.854 1.00 0.00 C ATOM 0 H THR A 20 5.500 6.205 -9.053 1.00 0.00 H new ATOM 0 HA THR A 20 4.354 8.594 -8.142 1.00 0.00 H new ATOM 0 HB THR A 20 3.247 6.405 -9.894 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.064 7.262 -10.865 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.802 8.171 -10.868 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.447 7.905 -9.144 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.400 9.322 -9.649 1.00 0.00 H new ATOM 293 N ILE A 21 2.793 5.865 -7.075 1.00 0.00 N ATOM 294 CA ILE A 21 1.843 5.378 -6.097 1.00 0.00 C ATOM 295 C ILE A 21 2.367 5.625 -4.681 1.00 0.00 C ATOM 296 O ILE A 21 1.644 6.192 -3.864 1.00 0.00 O ATOM 297 CB ILE A 21 1.520 3.916 -6.449 1.00 0.00 C ATOM 298 CG1 ILE A 21 0.306 3.906 -7.382 1.00 0.00 C ATOM 299 CG2 ILE A 21 1.216 3.064 -5.232 1.00 0.00 C ATOM 300 CD1 ILE A 21 0.287 2.703 -8.317 1.00 0.00 C ATOM 0 H ILE A 21 3.223 5.129 -7.635 1.00 0.00 H new ATOM 0 HA ILE A 21 0.898 5.921 -6.122 1.00 0.00 H new ATOM 0 HB ILE A 21 2.402 3.486 -6.924 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.605 3.910 -6.784 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.302 4.821 -7.975 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.996 2.044 -5.548 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.079 3.060 -4.566 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.354 3.475 -4.706 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.596 2.751 -8.954 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.183 2.711 -8.938 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.261 1.786 -7.729 1.00 0.00 H new ATOM 312 N GLU A 22 3.620 5.251 -4.406 1.00 0.00 N ATOM 313 CA GLU A 22 4.314 5.557 -3.160 1.00 0.00 C ATOM 314 C GLU A 22 4.082 7.029 -2.791 1.00 0.00 C ATOM 315 O GLU A 22 3.588 7.336 -1.708 1.00 0.00 O ATOM 316 CB GLU A 22 5.816 5.202 -3.297 1.00 0.00 C ATOM 317 CG GLU A 22 6.172 3.899 -2.559 1.00 0.00 C ATOM 318 CD GLU A 22 7.668 3.581 -2.540 1.00 0.00 C ATOM 319 OE1 GLU A 22 8.462 4.544 -2.565 1.00 0.00 O ATOM 320 OE2 GLU A 22 7.999 2.376 -2.446 1.00 0.00 O ATOM 0 H GLU A 22 4.189 4.715 -5.061 1.00 0.00 H new ATOM 0 HA GLU A 22 3.916 4.953 -2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.070 5.101 -4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.419 6.019 -2.901 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.813 3.966 -1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.641 3.071 -3.029 1.00 0.00 H new ATOM 327 N GLY A 23 4.382 7.935 -3.722 1.00 0.00 N ATOM 328 CA GLY A 23 4.180 9.364 -3.569 1.00 0.00 C ATOM 329 C GLY A 23 2.721 9.716 -3.273 1.00 0.00 C ATOM 330 O GLY A 23 2.438 10.374 -2.271 1.00 0.00 O ATOM 0 H GLY A 23 4.783 7.682 -4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.812 9.733 -2.761 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.497 9.873 -4.479 1.00 0.00 H new ATOM 334 N LYS A 24 1.791 9.321 -4.152 1.00 0.00 N ATOM 335 CA LYS A 24 0.398 9.719 -4.029 1.00 0.00 C ATOM 336 C LYS A 24 -0.154 9.264 -2.683 1.00 0.00 C ATOM 337 O LYS A 24 -0.693 10.052 -1.909 1.00 0.00 O ATOM 338 CB LYS A 24 -0.444 9.152 -5.190 1.00 0.00 C ATOM 339 CG LYS A 24 -1.519 10.154 -5.630 1.00 0.00 C ATOM 340 CD LYS A 24 -0.923 11.107 -6.676 1.00 0.00 C ATOM 341 CE LYS A 24 -1.904 12.234 -7.026 1.00 0.00 C ATOM 342 NZ LYS A 24 -1.379 13.101 -8.103 1.00 0.00 N ATOM 0 H LYS A 24 1.987 8.724 -4.956 1.00 0.00 H new ATOM 0 HA LYS A 24 0.340 10.806 -4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.205 8.916 -6.033 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.916 8.220 -4.880 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.376 9.626 -6.048 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.881 10.718 -4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.005 11.534 -6.295 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.670 10.549 -7.577 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.856 11.804 -7.336 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.100 12.835 -6.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.069 13.851 -8.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.483 13.531 -7.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.216 12.532 -8.958 1.00 0.00 H new ATOM 356 N ILE A 25 -0.015 7.970 -2.423 1.00 0.00 N ATOM 357 CA ILE A 25 -0.607 7.333 -1.265 1.00 0.00 C ATOM 358 C ILE A 25 0.117 7.799 0.004 1.00 0.00 C ATOM 359 O ILE A 25 -0.506 8.025 1.040 1.00 0.00 O ATOM 360 CB ILE A 25 -0.603 5.810 -1.449 1.00 0.00 C ATOM 361 CG1 ILE A 25 -1.273 5.352 -2.746 1.00 0.00 C ATOM 362 CG2 ILE A 25 -1.164 5.079 -0.225 1.00 0.00 C ATOM 363 CD1 ILE A 25 -2.774 5.569 -2.737 1.00 0.00 C ATOM 0 H ILE A 25 0.516 7.333 -3.017 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.651 7.627 -1.156 1.00 0.00 H new ATOM 0 HB ILE A 25 0.446 5.529 -1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.837 5.892 -3.586 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.064 4.294 -2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.141 4.004 -0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.558 5.316 0.650 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.192 5.396 -0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.197 5.226 -3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.218 5.007 -1.915 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.987 6.630 -2.608 1.00 0.00 H new ATOM 375 N GLY A 26 1.433 8.008 -0.084 1.00 0.00 N ATOM 376 CA GLY A 26 2.215 8.605 0.986 1.00 0.00 C ATOM 377 C GLY A 26 1.583 9.886 1.535 1.00 0.00 C ATOM 378 O GLY A 26 1.751 10.196 2.711 1.00 0.00 O ATOM 0 H GLY A 26 1.983 7.764 -0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.326 7.884 1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.217 8.828 0.618 1.00 0.00 H new ATOM 382 N LYS A 27 0.862 10.644 0.699 1.00 0.00 N ATOM 383 CA LYS A 27 0.283 11.907 1.092 1.00 0.00 C ATOM 384 C LYS A 27 -0.953 11.759 1.995 1.00 0.00 C ATOM 385 O LYS A 27 -1.368 12.754 2.590 1.00 0.00 O ATOM 386 CB LYS A 27 0.013 12.719 -0.186 1.00 0.00 C ATOM 387 CG LYS A 27 -0.262 14.180 0.157 1.00 0.00 C ATOM 388 CD LYS A 27 -0.044 15.113 -1.041 1.00 0.00 C ATOM 389 CE LYS A 27 -0.312 16.564 -0.612 1.00 0.00 C ATOM 390 NZ LYS A 27 0.045 17.541 -1.662 1.00 0.00 N ATOM 0 H LYS A 27 0.671 10.386 -0.269 1.00 0.00 H new ATOM 0 HA LYS A 27 0.989 12.448 1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.871 12.652 -0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.840 12.298 -0.718 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.288 14.280 0.510 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.389 14.487 0.976 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.976 15.014 -1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.709 14.835 -1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.367 16.676 -0.360 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.257 16.783 0.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.155 18.504 -1.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.057 17.456 -1.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.516 17.352 -2.517 1.00 0.00 H new ATOM 404 N LEU A 28 -1.577 10.578 2.111 1.00 0.00 N ATOM 405 CA LEU A 28 -2.761 10.446 2.943 1.00 0.00 C ATOM 406 C LEU A 28 -2.456 10.589 4.428 1.00 0.00 C ATOM 407 O LEU A 28 -1.418 10.153 4.924 1.00 0.00 O ATOM 408 CB LEU A 28 -3.424 9.103 2.733 1.00 0.00 C ATOM 409 CG LEU A 28 -4.198 9.126 1.406 1.00 0.00 C ATOM 410 CD1 LEU A 28 -3.790 7.962 0.541 1.00 0.00 C ATOM 411 CD2 LEU A 28 -5.699 9.108 1.675 1.00 0.00 C ATOM 0 H LEU A 28 -1.281 9.720 1.645 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.425 11.255 2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.674 8.312 2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.101 8.884 3.559 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.957 10.044 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.347 7.992 -0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.722 8.022 0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.005 7.029 1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.239 9.125 0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.959 8.204 2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.974 9.983 2.264 1.00 0.00 H new ATOM 423 N GLN A 29 -3.431 11.138 5.150 1.00 0.00 N ATOM 424 CA GLN A 29 -3.332 11.343 6.577 1.00 0.00 C ATOM 425 C GLN A 29 -3.637 10.051 7.343 1.00 0.00 C ATOM 426 O GLN A 29 -4.797 9.713 7.563 1.00 0.00 O ATOM 427 CB GLN A 29 -4.196 12.550 6.982 1.00 0.00 C ATOM 428 CG GLN A 29 -5.699 12.299 6.786 1.00 0.00 C ATOM 429 CD GLN A 29 -6.480 13.573 6.476 1.00 0.00 C ATOM 430 OE1 GLN A 29 -6.138 14.656 6.937 1.00 0.00 O ATOM 431 NE2 GLN A 29 -7.535 13.459 5.672 1.00 0.00 N ATOM 0 H GLN A 29 -4.315 11.452 4.750 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.307 11.591 6.854 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.006 12.792 8.028 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.898 13.418 6.394 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.840 11.586 5.974 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.106 11.840 7.687 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.798 12.546 5.302 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.080 14.285 5.426 1.00 0.00 H new ATOM 440 N GLY A 30 -2.598 9.318 7.746 1.00 0.00 N ATOM 441 CA GLY A 30 -2.757 8.065 8.480 1.00 0.00 C ATOM 442 C GLY A 30 -1.715 7.007 8.145 1.00 0.00 C ATOM 443 O GLY A 30 -1.640 5.984 8.830 1.00 0.00 O ATOM 0 H GLY A 30 -1.627 9.576 7.573 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.714 8.275 9.549 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.748 7.660 8.275 1.00 0.00 H new ATOM 447 N VAL A 31 -0.922 7.245 7.100 1.00 0.00 N ATOM 448 CA VAL A 31 0.179 6.385 6.722 1.00 0.00 C ATOM 449 C VAL A 31 1.460 6.934 7.346 1.00 0.00 C ATOM 450 O VAL A 31 1.665 8.146 7.337 1.00 0.00 O ATOM 451 CB VAL A 31 0.259 6.347 5.184 1.00 0.00 C ATOM 452 CG1 VAL A 31 1.386 5.436 4.696 1.00 0.00 C ATOM 453 CG2 VAL A 31 -1.062 5.861 4.572 1.00 0.00 C ATOM 0 H VAL A 31 -1.035 8.054 6.489 1.00 0.00 H new ATOM 0 HA VAL A 31 0.036 5.366 7.082 1.00 0.00 H new ATOM 0 HB VAL A 31 0.461 7.368 4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.409 5.437 3.606 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.339 5.800 5.079 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.214 4.421 5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.975 5.845 3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.283 4.857 4.934 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.867 6.536 4.862 1.00 0.00 H new ATOM 463 N GLN A 32 2.315 6.058 7.886 1.00 0.00 N ATOM 464 CA GLN A 32 3.623 6.439 8.404 1.00 0.00 C ATOM 465 C GLN A 32 4.739 6.075 7.423 1.00 0.00 C ATOM 466 O GLN A 32 5.768 6.744 7.372 1.00 0.00 O ATOM 467 CB GLN A 32 3.859 5.810 9.778 1.00 0.00 C ATOM 468 CG GLN A 32 3.828 4.276 9.798 1.00 0.00 C ATOM 469 CD GLN A 32 4.949 3.698 10.650 1.00 0.00 C ATOM 470 OE1 GLN A 32 5.845 3.039 10.131 1.00 0.00 O ATOM 471 NE2 GLN A 32 4.899 3.940 11.953 1.00 0.00 N ATOM 0 H GLN A 32 2.113 5.062 7.974 1.00 0.00 H new ATOM 0 HA GLN A 32 3.639 7.523 8.521 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.826 6.145 10.154 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.102 6.184 10.468 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.867 3.937 10.184 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.914 3.898 8.779 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.134 4.493 12.340 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.625 3.573 12.568 1.00 0.00 H new ATOM 480 N ARG A 33 4.550 4.994 6.666 1.00 0.00 N ATOM 481 CA ARG A 33 5.524 4.468 5.733 1.00 0.00 C ATOM 482 C ARG A 33 4.750 3.739 4.643 1.00 0.00 C ATOM 483 O ARG A 33 3.601 3.341 4.826 1.00 0.00 O ATOM 484 CB ARG A 33 6.485 3.503 6.449 1.00 0.00 C ATOM 485 CG ARG A 33 7.925 4.012 6.540 1.00 0.00 C ATOM 486 CD ARG A 33 8.770 2.868 7.117 1.00 0.00 C ATOM 487 NE ARG A 33 10.170 3.263 7.330 1.00 0.00 N ATOM 488 CZ ARG A 33 11.120 2.428 7.784 1.00 0.00 C ATOM 489 NH1 ARG A 33 10.815 1.150 8.034 1.00 0.00 N ATOM 490 NH2 ARG A 33 12.366 2.871 7.981 1.00 0.00 N ATOM 0 H ARG A 33 3.687 4.451 6.692 1.00 0.00 H new ATOM 0 HA ARG A 33 6.126 5.271 5.307 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.112 3.316 7.456 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.481 2.547 5.925 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.293 4.305 5.557 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.983 4.894 7.178 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.339 2.542 8.063 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.734 2.015 6.439 1.00 0.00 H new ATOM 0 HE ARG A 33 10.435 4.226 7.121 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.865 0.813 7.880 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.533 0.512 8.379 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.598 3.845 7.787 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.085 2.235 8.326 1.00 0.00 H new ATOM 504 N ILE A 34 5.393 3.551 3.500 1.00 0.00 N ATOM 505 CA ILE A 34 4.835 2.913 2.344 1.00 0.00 C ATOM 506 C ILE A 34 6.049 2.427 1.567 1.00 0.00 C ATOM 507 O ILE A 34 7.086 3.092 1.591 1.00 0.00 O ATOM 508 CB ILE A 34 3.952 3.920 1.592 1.00 0.00 C ATOM 509 CG1 ILE A 34 3.339 3.220 0.377 1.00 0.00 C ATOM 510 CG2 ILE A 34 4.697 5.212 1.209 1.00 0.00 C ATOM 511 CD1 ILE A 34 2.178 4.019 -0.213 1.00 0.00 C ATOM 0 H ILE A 34 6.356 3.856 3.359 1.00 0.00 H new ATOM 0 HA ILE A 34 4.175 2.071 2.553 1.00 0.00 H new ATOM 0 HB ILE A 34 3.157 4.251 2.260 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.105 3.076 -0.385 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.988 2.230 0.667 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.018 5.881 0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.061 5.703 2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.541 4.968 0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.771 3.488 -1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.400 4.140 0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.534 5.000 -0.528 1.00 0.00 H new ATOM 523 N LYS A 35 5.958 1.238 0.980 1.00 0.00 N ATOM 524 CA LYS A 35 7.025 0.637 0.203 1.00 0.00 C ATOM 525 C LYS A 35 6.451 -0.164 -0.967 1.00 0.00 C ATOM 526 O LYS A 35 5.475 -0.868 -0.771 1.00 0.00 O ATOM 527 CB LYS A 35 7.958 -0.180 1.113 1.00 0.00 C ATOM 528 CG LYS A 35 9.171 0.587 1.652 1.00 0.00 C ATOM 529 CD LYS A 35 10.131 0.943 0.514 1.00 0.00 C ATOM 530 CE LYS A 35 11.472 1.468 1.047 1.00 0.00 C ATOM 531 NZ LYS A 35 12.590 1.100 0.154 1.00 0.00 N ATOM 0 H LYS A 35 5.121 0.657 1.035 1.00 0.00 H new ATOM 0 HA LYS A 35 7.641 1.419 -0.240 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.380 -0.556 1.957 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.313 -1.048 0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.840 1.496 2.154 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.689 -0.017 2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.305 0.063 -0.105 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.673 1.697 -0.126 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.426 2.552 1.146 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.652 1.064 2.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.481 1.470 0.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.648 0.064 0.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.429 1.507 -0.790 1.00 0.00 H new ATOM 545 N VAL A 36 7.001 -0.085 -2.179 1.00 0.00 N ATOM 546 CA VAL A 36 6.486 -0.864 -3.307 1.00 0.00 C ATOM 547 C VAL A 36 7.622 -1.558 -4.072 1.00 0.00 C ATOM 548 O VAL A 36 8.351 -0.939 -4.849 1.00 0.00 O ATOM 549 CB VAL A 36 5.569 0.008 -4.178 1.00 0.00 C ATOM 550 CG1 VAL A 36 5.108 -0.762 -5.425 1.00 0.00 C ATOM 551 CG2 VAL A 36 4.321 0.474 -3.417 1.00 0.00 C ATOM 0 H VAL A 36 7.800 0.508 -2.405 1.00 0.00 H new ATOM 0 HA VAL A 36 5.864 -1.679 -2.936 1.00 0.00 H new ATOM 0 HB VAL A 36 6.158 0.880 -4.464 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.460 -0.125 -6.027 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.977 -1.055 -6.014 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.559 -1.653 -5.120 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.703 1.087 -4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.750 -0.394 -3.088 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.622 1.061 -2.549 1.00 0.00 H new ATOM 561 N SER A 37 7.734 -2.874 -3.855 1.00 0.00 N ATOM 562 CA SER A 37 8.724 -3.766 -4.429 1.00 0.00 C ATOM 563 C SER A 37 8.282 -4.216 -5.822 1.00 0.00 C ATOM 564 O SER A 37 7.402 -5.068 -5.944 1.00 0.00 O ATOM 565 CB SER A 37 8.889 -4.977 -3.511 1.00 0.00 C ATOM 566 OG SER A 37 9.069 -4.580 -2.163 1.00 0.00 O ATOM 0 H SER A 37 7.091 -3.366 -3.234 1.00 0.00 H new ATOM 0 HA SER A 37 9.677 -3.245 -4.523 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.011 -5.618 -3.589 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.745 -5.568 -3.836 1.00 0.00 H new ATOM 0 HG SER A 37 9.170 -5.375 -1.599 1.00 0.00 H new ATOM 572 N LEU A 38 8.905 -3.673 -6.871 1.00 0.00 N ATOM 573 CA LEU A 38 8.617 -4.089 -8.238 1.00 0.00 C ATOM 574 C LEU A 38 8.965 -5.567 -8.443 1.00 0.00 C ATOM 575 O LEU A 38 8.177 -6.310 -9.021 1.00 0.00 O ATOM 576 CB LEU A 38 9.281 -3.185 -9.290 1.00 0.00 C ATOM 577 CG LEU A 38 10.737 -2.791 -8.999 1.00 0.00 C ATOM 578 CD1 LEU A 38 11.535 -2.747 -10.307 1.00 0.00 C ATOM 579 CD2 LEU A 38 10.787 -1.407 -8.345 1.00 0.00 C ATOM 0 H LEU A 38 9.613 -2.943 -6.795 1.00 0.00 H new ATOM 0 HA LEU A 38 7.544 -3.974 -8.388 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.246 -3.693 -10.254 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.689 -2.275 -9.387 1.00 0.00 H new ATOM 0 HG LEU A 38 11.169 -3.531 -8.325 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.567 -2.467 -10.094 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.515 -3.730 -10.778 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.091 -2.013 -10.980 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.824 -1.137 -8.143 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.345 -0.671 -9.017 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.228 -1.426 -7.409 1.00 0.00 H new ATOM 591 N ASP A 39 10.131 -5.997 -7.950 1.00 0.00 N ATOM 592 CA ASP A 39 10.704 -7.319 -8.169 1.00 0.00 C ATOM 593 C ASP A 39 9.689 -8.413 -7.889 1.00 0.00 C ATOM 594 O ASP A 39 9.394 -9.251 -8.737 1.00 0.00 O ATOM 595 CB ASP A 39 11.905 -7.545 -7.233 1.00 0.00 C ATOM 596 CG ASP A 39 12.873 -6.370 -7.196 1.00 0.00 C ATOM 597 OD1 ASP A 39 12.401 -5.280 -6.796 1.00 0.00 O ATOM 598 OD2 ASP A 39 14.048 -6.581 -7.563 1.00 0.00 O ATOM 0 H ASP A 39 10.721 -5.406 -7.365 1.00 0.00 H new ATOM 0 HA ASP A 39 11.016 -7.363 -9.213 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.539 -7.736 -6.224 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.442 -8.438 -7.552 1.00 0.00 H new ATOM 603 N ASN A 40 9.170 -8.394 -6.659 1.00 0.00 N ATOM 604 CA ASN A 40 8.243 -9.401 -6.180 1.00 0.00 C ATOM 605 C ASN A 40 6.793 -8.986 -6.478 1.00 0.00 C ATOM 606 O ASN A 40 5.863 -9.560 -5.921 1.00 0.00 O ATOM 607 CB ASN A 40 8.482 -9.671 -4.697 1.00 0.00 C ATOM 608 CG ASN A 40 8.232 -11.130 -4.314 1.00 0.00 C ATOM 609 OD1 ASN A 40 7.108 -11.549 -4.064 1.00 0.00 O ATOM 610 ND2 ASN A 40 9.300 -11.923 -4.240 1.00 0.00 N ATOM 0 H ASN A 40 9.387 -7.673 -5.971 1.00 0.00 H new ATOM 0 HA ASN A 40 8.418 -10.336 -6.712 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.508 -9.404 -4.444 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.831 -9.028 -4.105 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.191 -12.901 -3.971 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.226 -11.552 -4.453 1.00 0.00 H new ATOM 617 N GLN A 41 6.620 -7.947 -7.308 1.00 0.00 N ATOM 618 CA GLN A 41 5.389 -7.222 -7.577 1.00 0.00 C ATOM 619 C GLN A 41 4.473 -7.133 -6.343 1.00 0.00 C ATOM 620 O GLN A 41 3.355 -7.651 -6.312 1.00 0.00 O ATOM 621 CB GLN A 41 4.762 -7.719 -8.895 1.00 0.00 C ATOM 622 CG GLN A 41 4.661 -6.545 -9.879 1.00 0.00 C ATOM 623 CD GLN A 41 4.247 -6.946 -11.289 1.00 0.00 C ATOM 624 OE1 GLN A 41 3.604 -7.961 -11.525 1.00 0.00 O ATOM 625 NE2 GLN A 41 4.633 -6.127 -12.260 1.00 0.00 N ATOM 0 H GLN A 41 7.401 -7.570 -7.845 1.00 0.00 H new ATOM 0 HA GLN A 41 5.603 -6.169 -7.759 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.369 -8.517 -9.323 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.773 -8.137 -8.706 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.942 -5.823 -9.493 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.626 -6.040 -9.925 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.168 -5.288 -12.037 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.395 -6.337 -13.229 1.00 0.00 H new ATOM 634 N GLU A 42 4.982 -6.463 -5.302 1.00 0.00 N ATOM 635 CA GLU A 42 4.357 -6.403 -3.990 1.00 0.00 C ATOM 636 C GLU A 42 4.398 -4.978 -3.439 1.00 0.00 C ATOM 637 O GLU A 42 5.430 -4.310 -3.508 1.00 0.00 O ATOM 638 CB GLU A 42 5.065 -7.386 -3.047 1.00 0.00 C ATOM 639 CG GLU A 42 4.266 -7.586 -1.756 1.00 0.00 C ATOM 640 CD GLU A 42 4.966 -8.536 -0.797 1.00 0.00 C ATOM 641 OE1 GLU A 42 6.139 -8.264 -0.468 1.00 0.00 O ATOM 642 OE2 GLU A 42 4.283 -9.484 -0.353 1.00 0.00 O ATOM 0 H GLU A 42 5.856 -5.940 -5.357 1.00 0.00 H new ATOM 0 HA GLU A 42 3.309 -6.690 -4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.197 -8.345 -3.549 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.060 -7.012 -2.808 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.117 -6.623 -1.268 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.278 -7.977 -1.998 1.00 0.00 H new ATOM 649 N ALA A 43 3.279 -4.532 -2.865 1.00 0.00 N ATOM 650 CA ALA A 43 3.114 -3.248 -2.214 1.00 0.00 C ATOM 651 C ALA A 43 2.912 -3.442 -0.704 1.00 0.00 C ATOM 652 O ALA A 43 2.180 -4.324 -0.256 1.00 0.00 O ATOM 653 CB ALA A 43 1.986 -2.465 -2.896 1.00 0.00 C ATOM 0 H ALA A 43 2.426 -5.091 -2.845 1.00 0.00 H new ATOM 0 HA ALA A 43 4.017 -2.647 -2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.864 -1.500 -2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.235 -2.309 -3.946 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.056 -3.029 -2.824 1.00 0.00 H new ATOM 659 N THR A 44 3.621 -2.611 0.057 1.00 0.00 N ATOM 660 CA THR A 44 3.736 -2.496 1.498 1.00 0.00 C ATOM 661 C THR A 44 3.080 -1.179 1.878 1.00 0.00 C ATOM 662 O THR A 44 3.493 -0.136 1.374 1.00 0.00 O ATOM 663 CB THR A 44 5.232 -2.406 1.860 1.00 0.00 C ATOM 664 OG1 THR A 44 5.906 -3.541 1.357 1.00 0.00 O ATOM 665 CG2 THR A 44 5.455 -2.329 3.371 1.00 0.00 C ATOM 0 H THR A 44 4.207 -1.908 -0.393 1.00 0.00 H new ATOM 0 HA THR A 44 3.276 -3.343 2.007 1.00 0.00 H new ATOM 0 HB THR A 44 5.623 -1.492 1.413 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.874 -3.398 1.413 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.523 -2.267 3.578 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.956 -1.445 3.768 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.044 -3.220 3.845 1.00 0.00 H new ATOM 673 N ILE A 45 2.102 -1.208 2.777 1.00 0.00 N ATOM 674 CA ILE A 45 1.453 0.002 3.253 1.00 0.00 C ATOM 675 C ILE A 45 1.560 -0.035 4.767 1.00 0.00 C ATOM 676 O ILE A 45 1.058 -0.981 5.374 1.00 0.00 O ATOM 677 CB ILE A 45 -0.006 0.034 2.779 1.00 0.00 C ATOM 678 CG1 ILE A 45 -0.158 0.037 1.246 1.00 0.00 C ATOM 679 CG2 ILE A 45 -0.713 1.240 3.399 1.00 0.00 C ATOM 680 CD1 ILE A 45 0.066 1.418 0.632 1.00 0.00 C ATOM 0 H ILE A 45 1.741 -2.067 3.192 1.00 0.00 H new ATOM 0 HA ILE A 45 1.922 0.906 2.863 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.474 -0.891 3.116 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.552 -0.668 0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.156 -0.315 0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.750 1.266 3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.684 1.159 4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.209 2.156 3.090 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.054 1.359 -0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.661 2.120 1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.073 1.762 0.867 1.00 0.00 H new ATOM 692 N VAL A 46 2.251 0.943 5.361 1.00 0.00 N ATOM 693 CA VAL A 46 2.497 0.969 6.796 1.00 0.00 C ATOM 694 C VAL A 46 1.643 2.080 7.392 1.00 0.00 C ATOM 695 O VAL A 46 2.022 3.255 7.356 1.00 0.00 O ATOM 696 CB VAL A 46 3.994 1.140 7.087 1.00 0.00 C ATOM 697 CG1 VAL A 46 4.293 0.716 8.526 1.00 0.00 C ATOM 698 CG2 VAL A 46 4.837 0.322 6.103 1.00 0.00 C ATOM 0 H VAL A 46 2.652 1.734 4.857 1.00 0.00 H new ATOM 0 HA VAL A 46 2.215 0.024 7.260 1.00 0.00 H new ATOM 0 HB VAL A 46 4.256 2.191 6.963 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.357 0.839 8.728 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.719 1.336 9.215 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.016 -0.330 8.662 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.895 0.459 6.329 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.580 -0.733 6.194 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.637 0.658 5.086 1.00 0.00 H new ATOM 708 N TYR A 47 0.461 1.708 7.892 1.00 0.00 N ATOM 709 CA TYR A 47 -0.548 2.673 8.297 1.00 0.00 C ATOM 710 C TYR A 47 -0.969 2.481 9.744 1.00 0.00 C ATOM 711 O TYR A 47 -0.595 1.502 10.394 1.00 0.00 O ATOM 712 CB TYR A 47 -1.731 2.668 7.318 1.00 0.00 C ATOM 713 CG TYR A 47 -2.763 1.581 7.553 1.00 0.00 C ATOM 714 CD1 TYR A 47 -2.559 0.280 7.056 1.00 0.00 C ATOM 715 CD2 TYR A 47 -3.926 1.871 8.291 1.00 0.00 C ATOM 716 CE1 TYR A 47 -3.509 -0.724 7.313 1.00 0.00 C ATOM 717 CE2 TYR A 47 -4.861 0.860 8.562 1.00 0.00 C ATOM 718 CZ TYR A 47 -4.629 -0.446 8.111 1.00 0.00 C ATOM 719 OH TYR A 47 -5.464 -1.452 8.494 1.00 0.00 O ATOM 0 H TYR A 47 0.184 0.735 8.024 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.105 3.668 8.251 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.229 3.636 7.371 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.342 2.564 6.305 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.675 0.054 6.479 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.099 2.875 8.650 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.376 -1.711 6.895 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.758 1.089 9.118 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.188 -1.085 9.044 1.00 0.00 H new ATOM 729 N GLN A 48 -1.723 3.462 10.240 1.00 0.00 N ATOM 730 CA GLN A 48 -2.139 3.547 11.623 1.00 0.00 C ATOM 731 C GLN A 48 -3.642 3.236 11.723 1.00 0.00 C ATOM 732 O GLN A 48 -4.454 4.041 11.253 1.00 0.00 O ATOM 733 CB GLN A 48 -1.779 4.952 12.118 1.00 0.00 C ATOM 734 CG GLN A 48 -1.654 4.931 13.647 1.00 0.00 C ATOM 735 CD GLN A 48 -1.212 6.276 14.210 1.00 0.00 C ATOM 736 OE1 GLN A 48 -0.029 6.597 14.206 1.00 0.00 O ATOM 737 NE2 GLN A 48 -2.151 7.069 14.717 1.00 0.00 N ATOM 0 H GLN A 48 -2.065 4.235 9.669 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.633 2.817 12.255 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.841 5.280 11.669 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.545 5.665 11.813 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.614 4.655 14.084 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.937 4.164 13.940 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.128 6.775 14.706 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.895 7.972 15.117 1.00 0.00 H new ATOM 746 N PRO A 49 -4.034 2.081 12.297 1.00 0.00 N ATOM 747 CA PRO A 49 -5.408 1.598 12.275 1.00 0.00 C ATOM 748 C PRO A 49 -6.305 2.432 13.192 1.00 0.00 C ATOM 749 O PRO A 49 -6.623 2.028 14.305 1.00 0.00 O ATOM 750 CB PRO A 49 -5.336 0.124 12.685 1.00 0.00 C ATOM 751 CG PRO A 49 -4.120 0.095 13.606 1.00 0.00 C ATOM 752 CD PRO A 49 -3.175 1.087 12.928 1.00 0.00 C ATOM 0 HA PRO A 49 -5.860 1.694 11.288 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.242 -0.199 13.199 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.208 -0.531 11.823 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.371 0.402 14.621 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.684 -0.902 13.673 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.507 1.551 13.654 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.547 0.588 12.191 1.00 0.00 H new ATOM 760 N HIS A 50 -6.710 3.593 12.680 1.00 0.00 N ATOM 761 CA HIS A 50 -7.614 4.570 13.273 1.00 0.00 C ATOM 762 C HIS A 50 -7.707 5.766 12.326 1.00 0.00 C ATOM 763 O HIS A 50 -8.788 6.315 12.135 1.00 0.00 O ATOM 764 CB HIS A 50 -7.141 5.035 14.667 1.00 0.00 C ATOM 765 CG HIS A 50 -7.745 4.343 15.874 1.00 0.00 C ATOM 766 ND1 HIS A 50 -7.471 4.673 17.183 1.00 0.00 N ATOM 767 CD2 HIS A 50 -8.711 3.367 15.899 1.00 0.00 C ATOM 768 CE1 HIS A 50 -8.246 3.910 17.971 1.00 0.00 C ATOM 769 NE2 HIS A 50 -9.021 3.100 17.237 1.00 0.00 N ATOM 0 H HIS A 50 -6.385 3.897 11.762 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.590 4.104 13.412 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -6.059 4.912 14.714 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -7.345 6.102 14.753 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -9.154 2.890 15.037 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -8.245 3.945 19.050 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -9.701 2.424 17.584 1.00 0.00 H new ATOM 777 N LEU A 51 -6.577 6.184 11.742 1.00 0.00 N ATOM 778 CA LEU A 51 -6.553 7.375 10.903 1.00 0.00 C ATOM 779 C LEU A 51 -7.101 7.080 9.505 1.00 0.00 C ATOM 780 O LEU A 51 -7.909 7.846 8.987 1.00 0.00 O ATOM 781 CB LEU A 51 -5.150 7.969 10.849 1.00 0.00 C ATOM 782 CG LEU A 51 -4.654 8.456 12.224 1.00 0.00 C ATOM 783 CD1 LEU A 51 -3.176 8.854 12.149 1.00 0.00 C ATOM 784 CD2 LEU A 51 -5.442 9.670 12.738 1.00 0.00 C ATOM 0 H LEU A 51 -5.676 5.715 11.838 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.209 8.121 11.352 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.458 7.220 10.463 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.141 8.804 10.148 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.801 7.623 12.912 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.841 9.196 13.128 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.582 7.993 11.843 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.052 9.657 11.423 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.052 9.972 13.710 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.339 10.495 12.033 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.495 9.405 12.836 1.00 0.00 H new ATOM 796 N ILE A 52 -6.652 5.980 8.892 1.00 0.00 N ATOM 797 CA ILE A 52 -7.002 5.567 7.552 1.00 0.00 C ATOM 798 C ILE A 52 -7.185 4.041 7.565 1.00 0.00 C ATOM 799 O ILE A 52 -6.880 3.410 8.579 1.00 0.00 O ATOM 800 CB ILE A 52 -5.890 6.077 6.614 1.00 0.00 C ATOM 801 CG1 ILE A 52 -6.499 6.627 5.335 1.00 0.00 C ATOM 802 CG2 ILE A 52 -4.836 5.016 6.277 1.00 0.00 C ATOM 803 CD1 ILE A 52 -7.031 8.054 5.488 1.00 0.00 C ATOM 0 H ILE A 52 -6.007 5.333 9.346 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.941 5.985 7.188 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.370 6.867 7.156 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.748 6.608 4.545 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.312 5.975 5.017 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.086 5.446 5.613 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.356 4.675 7.195 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.315 4.171 5.783 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.453 8.389 4.540 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.804 8.074 6.256 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.216 8.717 5.777 1.00 0.00 H new ATOM 815 N SER A 53 -7.695 3.446 6.479 1.00 0.00 N ATOM 816 CA SER A 53 -8.060 2.034 6.414 1.00 0.00 C ATOM 817 C SER A 53 -7.469 1.360 5.174 1.00 0.00 C ATOM 818 O SER A 53 -7.245 2.017 4.155 1.00 0.00 O ATOM 819 CB SER A 53 -9.589 1.936 6.374 1.00 0.00 C ATOM 820 OG SER A 53 -10.068 2.498 5.164 1.00 0.00 O ATOM 0 H SER A 53 -7.867 3.946 5.607 1.00 0.00 H new ATOM 0 HA SER A 53 -7.661 1.522 7.290 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.899 0.894 6.451 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.020 2.461 7.227 1.00 0.00 H new ATOM 0 HG SER A 53 -11.046 2.434 5.138 1.00 0.00 H new ATOM 826 N VAL A 54 -7.294 0.031 5.235 1.00 0.00 N ATOM 827 CA VAL A 54 -6.966 -0.797 4.075 1.00 0.00 C ATOM 828 C VAL A 54 -7.857 -0.449 2.886 1.00 0.00 C ATOM 829 O VAL A 54 -7.385 -0.402 1.754 1.00 0.00 O ATOM 830 CB VAL A 54 -7.121 -2.292 4.407 1.00 0.00 C ATOM 831 CG1 VAL A 54 -7.036 -3.173 3.154 1.00 0.00 C ATOM 832 CG2 VAL A 54 -6.043 -2.766 5.384 1.00 0.00 C ATOM 0 H VAL A 54 -7.378 -0.500 6.102 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.928 -0.595 3.813 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.108 -2.392 4.859 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.151 -4.219 3.437 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.829 -2.896 2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.068 -3.031 2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.184 -3.826 5.595 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.058 -2.612 4.942 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.117 -2.198 6.311 1.00 0.00 H new ATOM 842 N GLU A 55 -9.156 -0.263 3.129 1.00 0.00 N ATOM 843 CA GLU A 55 -10.087 0.005 2.051 1.00 0.00 C ATOM 844 C GLU A 55 -9.690 1.292 1.337 1.00 0.00 C ATOM 845 O GLU A 55 -9.611 1.256 0.121 1.00 0.00 O ATOM 846 CB GLU A 55 -11.526 0.000 2.564 1.00 0.00 C ATOM 847 CG GLU A 55 -12.591 -0.248 1.484 1.00 0.00 C ATOM 848 CD GLU A 55 -12.646 0.801 0.380 1.00 0.00 C ATOM 849 OE1 GLU A 55 -12.746 1.997 0.716 1.00 0.00 O ATOM 850 OE2 GLU A 55 -12.580 0.370 -0.795 1.00 0.00 O ATOM 0 H GLU A 55 -9.577 -0.294 4.058 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.039 -0.792 1.309 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.621 -0.768 3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.730 0.957 3.043 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -12.407 -1.222 1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.568 -0.300 1.964 1.00 0.00 H new ATOM 857 N GLU A 56 -9.362 2.367 2.060 1.00 0.00 N ATOM 858 CA GLU A 56 -8.881 3.616 1.507 1.00 0.00 C ATOM 859 C GLU A 56 -7.631 3.315 0.697 1.00 0.00 C ATOM 860 O GLU A 56 -7.601 3.588 -0.496 1.00 0.00 O ATOM 861 CB GLU A 56 -8.605 4.640 2.630 1.00 0.00 C ATOM 862 CG GLU A 56 -9.387 5.940 2.391 1.00 0.00 C ATOM 863 CD GLU A 56 -8.887 6.655 1.143 1.00 0.00 C ATOM 864 OE1 GLU A 56 -7.654 6.800 1.042 1.00 0.00 O ATOM 865 OE2 GLU A 56 -9.724 7.027 0.293 1.00 0.00 O ATOM 0 H GLU A 56 -9.430 2.382 3.078 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.634 4.064 0.859 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.886 4.214 3.593 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.538 4.856 2.676 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.449 5.716 2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.284 6.595 3.256 1.00 0.00 H new ATOM 872 N MET A 57 -6.624 2.691 1.317 1.00 0.00 N ATOM 873 CA MET A 57 -5.410 2.307 0.633 1.00 0.00 C ATOM 874 C MET A 57 -5.701 1.624 -0.714 1.00 0.00 C ATOM 875 O MET A 57 -5.297 2.123 -1.759 1.00 0.00 O ATOM 876 CB MET A 57 -4.556 1.469 1.567 1.00 0.00 C ATOM 877 CG MET A 57 -4.181 2.171 2.880 1.00 0.00 C ATOM 878 SD MET A 57 -3.191 3.689 2.811 1.00 0.00 S ATOM 879 CE MET A 57 -4.488 4.940 2.687 1.00 0.00 C ATOM 0 H MET A 57 -6.639 2.443 2.306 1.00 0.00 H new ATOM 0 HA MET A 57 -4.840 3.199 0.373 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.090 0.548 1.801 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.642 1.184 1.047 1.00 0.00 H new ATOM 0 HG2 MET A 57 -5.107 2.405 3.405 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.640 1.452 3.495 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.104 5.898 3.038 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.804 5.035 1.648 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.339 4.643 3.300 1.00 0.00 H new ATOM 889 N LYS A 58 -6.438 0.511 -0.720 1.00 0.00 N ATOM 890 CA LYS A 58 -6.789 -0.164 -1.963 1.00 0.00 C ATOM 891 C LYS A 58 -7.599 0.726 -2.880 1.00 0.00 C ATOM 892 O LYS A 58 -7.293 0.795 -4.055 1.00 0.00 O ATOM 893 CB LYS A 58 -7.524 -1.479 -1.701 1.00 0.00 C ATOM 894 CG LYS A 58 -8.192 -2.137 -2.927 1.00 0.00 C ATOM 895 CD LYS A 58 -9.365 -3.061 -2.572 1.00 0.00 C ATOM 896 CE LYS A 58 -10.721 -2.336 -2.657 1.00 0.00 C ATOM 897 NZ LYS A 58 -10.887 -1.314 -1.602 1.00 0.00 N ATOM 0 H LYS A 58 -6.800 0.062 0.121 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.852 -0.395 -2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.816 -2.189 -1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.291 -1.300 -0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.548 -1.355 -3.598 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.443 -2.710 -3.473 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.369 -3.917 -3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.226 -3.451 -1.564 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.815 -1.862 -3.634 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.525 -3.067 -2.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.867 -0.965 -1.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.675 -1.735 -0.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.236 -0.522 -1.780 1.00 0.00 H new ATOM 911 N LYS A 59 -8.673 1.337 -2.400 1.00 0.00 N ATOM 912 CA LYS A 59 -9.557 2.124 -3.238 1.00 0.00 C ATOM 913 C LYS A 59 -8.708 3.136 -3.987 1.00 0.00 C ATOM 914 O LYS A 59 -8.784 3.218 -5.207 1.00 0.00 O ATOM 915 CB LYS A 59 -10.646 2.772 -2.380 1.00 0.00 C ATOM 916 CG LYS A 59 -11.931 3.126 -3.128 1.00 0.00 C ATOM 917 CD LYS A 59 -11.817 4.446 -3.904 1.00 0.00 C ATOM 918 CE LYS A 59 -13.093 4.742 -4.703 1.00 0.00 C ATOM 919 NZ LYS A 59 -14.297 4.771 -3.847 1.00 0.00 N ATOM 0 H LYS A 59 -8.953 1.299 -1.420 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.075 1.504 -3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.894 2.095 -1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.242 3.680 -1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.177 2.321 -3.821 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.754 3.197 -2.416 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.625 5.263 -3.208 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.965 4.398 -4.582 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.987 5.701 -5.210 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.218 3.985 -5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.098 5.154 -4.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.522 3.806 -3.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.119 5.374 -3.018 1.00 0.00 H new ATOM 933 N GLN A 60 -7.849 3.849 -3.259 1.00 0.00 N ATOM 934 CA GLN A 60 -6.941 4.792 -3.892 1.00 0.00 C ATOM 935 C GLN A 60 -6.003 4.087 -4.882 1.00 0.00 C ATOM 936 O GLN A 60 -5.827 4.550 -6.006 1.00 0.00 O ATOM 937 CB GLN A 60 -6.142 5.520 -2.820 1.00 0.00 C ATOM 938 CG GLN A 60 -7.018 6.375 -1.892 1.00 0.00 C ATOM 939 CD GLN A 60 -7.646 7.595 -2.554 1.00 0.00 C ATOM 940 OE1 GLN A 60 -7.185 8.061 -3.592 1.00 0.00 O ATOM 941 NE2 GLN A 60 -8.707 8.129 -1.963 1.00 0.00 N ATOM 0 H GLN A 60 -7.766 3.790 -2.244 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.528 5.514 -4.460 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.596 4.789 -2.223 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.400 6.158 -3.299 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.813 5.749 -1.487 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.413 6.707 -1.048 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.070 7.722 -1.101 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.160 8.947 -2.371 1.00 0.00 H new ATOM 950 N ILE A 61 -5.377 2.981 -4.469 1.00 0.00 N ATOM 951 CA ILE A 61 -4.417 2.264 -5.299 1.00 0.00 C ATOM 952 C ILE A 61 -5.103 1.622 -6.500 1.00 0.00 C ATOM 953 O ILE A 61 -4.842 2.023 -7.628 1.00 0.00 O ATOM 954 CB ILE A 61 -3.597 1.265 -4.474 1.00 0.00 C ATOM 955 CG1 ILE A 61 -2.737 2.107 -3.522 1.00 0.00 C ATOM 956 CG2 ILE A 61 -2.706 0.418 -5.400 1.00 0.00 C ATOM 957 CD1 ILE A 61 -1.914 1.267 -2.556 1.00 0.00 C ATOM 0 H ILE A 61 -5.524 2.562 -3.551 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.704 2.986 -5.697 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.238 0.576 -3.924 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.067 2.736 -4.108 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.384 2.774 -2.953 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.128 -0.288 -4.803 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.331 -0.130 -6.105 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.027 1.071 -5.948 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.329 1.923 -1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.580 0.657 -1.945 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.243 0.618 -3.119 1.00 0.00 H new ATOM 969 N GLU A 62 -5.966 0.628 -6.288 1.00 0.00 N ATOM 970 CA GLU A 62 -6.718 0.014 -7.359 1.00 0.00 C ATOM 971 C GLU A 62 -7.407 1.038 -8.272 1.00 0.00 C ATOM 972 O GLU A 62 -7.467 0.801 -9.476 1.00 0.00 O ATOM 973 CB GLU A 62 -7.693 -0.997 -6.738 1.00 0.00 C ATOM 974 CG GLU A 62 -7.355 -2.409 -7.204 1.00 0.00 C ATOM 975 CD GLU A 62 -8.122 -3.496 -6.469 1.00 0.00 C ATOM 976 OE1 GLU A 62 -9.099 -3.149 -5.767 1.00 0.00 O ATOM 977 OE2 GLU A 62 -7.679 -4.657 -6.602 1.00 0.00 O ATOM 0 H GLU A 62 -6.156 0.233 -5.367 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.035 -0.511 -8.026 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.641 -0.943 -5.651 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.716 -0.748 -7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.562 -2.489 -8.271 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.286 -2.579 -7.073 1.00 0.00 H new ATOM 984 N ALA A 63 -7.874 2.189 -7.757 1.00 0.00 N ATOM 985 CA ALA A 63 -8.434 3.224 -8.629 1.00 0.00 C ATOM 986 C ALA A 63 -7.468 3.658 -9.738 1.00 0.00 C ATOM 987 O ALA A 63 -7.920 4.020 -10.822 1.00 0.00 O ATOM 988 CB ALA A 63 -8.864 4.449 -7.827 1.00 0.00 C ATOM 0 H ALA A 63 -7.874 2.419 -6.763 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.305 2.772 -9.103 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.275 5.200 -8.502 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.623 4.160 -7.100 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.001 4.864 -7.306 1.00 0.00 H new ATOM 994 N MET A 64 -6.155 3.633 -9.487 1.00 0.00 N ATOM 995 CA MET A 64 -5.158 3.881 -10.514 1.00 0.00 C ATOM 996 C MET A 64 -5.354 2.924 -11.697 1.00 0.00 C ATOM 997 O MET A 64 -5.234 3.335 -12.849 1.00 0.00 O ATOM 998 CB MET A 64 -3.754 3.704 -9.938 1.00 0.00 C ATOM 999 CG MET A 64 -3.397 4.666 -8.802 1.00 0.00 C ATOM 1000 SD MET A 64 -3.364 6.426 -9.228 1.00 0.00 S ATOM 1001 CE MET A 64 -2.558 7.097 -7.754 1.00 0.00 C ATOM 0 H MET A 64 -5.762 3.440 -8.566 1.00 0.00 H new ATOM 0 HA MET A 64 -5.276 4.906 -10.866 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.653 2.682 -9.574 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.029 3.829 -10.742 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.113 4.522 -7.993 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.417 4.389 -8.413 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.215 7.826 -7.280 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.349 6.288 -7.054 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.624 7.581 -8.039 1.00 0.00 H new ATOM 1011 N GLY A 65 -5.630 1.647 -11.406 1.00 0.00 N ATOM 1012 CA GLY A 65 -5.918 0.626 -12.407 1.00 0.00 C ATOM 1013 C GLY A 65 -5.320 -0.724 -12.012 1.00 0.00 C ATOM 1014 O GLY A 65 -5.787 -1.768 -12.459 1.00 0.00 O ATOM 0 H GLY A 65 -5.659 1.293 -10.450 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.997 0.527 -12.528 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.516 0.936 -13.372 1.00 0.00 H new ATOM 1018 N PHE A 66 -4.266 -0.703 -11.195 1.00 0.00 N ATOM 1019 CA PHE A 66 -3.492 -1.883 -10.842 1.00 0.00 C ATOM 1020 C PHE A 66 -4.286 -2.755 -9.864 1.00 0.00 C ATOM 1021 O PHE A 66 -4.484 -2.312 -8.736 1.00 0.00 O ATOM 1022 CB PHE A 66 -2.196 -1.410 -10.178 1.00 0.00 C ATOM 1023 CG PHE A 66 -1.377 -0.476 -11.045 1.00 0.00 C ATOM 1024 CD1 PHE A 66 -0.688 -0.968 -12.169 1.00 0.00 C ATOM 1025 CD2 PHE A 66 -1.432 0.908 -10.810 1.00 0.00 C ATOM 1026 CE1 PHE A 66 -0.077 -0.073 -13.064 1.00 0.00 C ATOM 1027 CE2 PHE A 66 -0.831 1.803 -11.709 1.00 0.00 C ATOM 1028 CZ PHE A 66 -0.167 1.313 -12.843 1.00 0.00 C ATOM 0 H PHE A 66 -3.924 0.152 -10.755 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.273 -2.474 -11.731 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.440 -0.905 -9.243 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.590 -2.279 -9.922 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.629 -2.032 -12.344 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.939 1.285 -9.934 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.461 -0.449 -13.921 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.880 2.867 -11.528 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.276 2.001 -13.548 1.00 0.00 H new ATOM 1038 N PRO A 67 -4.725 -3.969 -10.236 1.00 0.00 N ATOM 1039 CA PRO A 67 -5.451 -4.834 -9.317 1.00 0.00 C ATOM 1040 C PRO A 67 -4.519 -5.230 -8.170 1.00 0.00 C ATOM 1041 O PRO A 67 -3.319 -5.410 -8.404 1.00 0.00 O ATOM 1042 CB PRO A 67 -5.884 -6.041 -10.151 1.00 0.00 C ATOM 1043 CG PRO A 67 -4.792 -6.136 -11.214 1.00 0.00 C ATOM 1044 CD PRO A 67 -4.428 -4.671 -11.475 1.00 0.00 C ATOM 0 HA PRO A 67 -6.321 -4.355 -8.867 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.941 -6.948 -9.549 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.868 -5.892 -10.596 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.934 -6.707 -10.860 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.151 -6.629 -12.117 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.376 -4.570 -11.741 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -5.007 -4.265 -12.304 1.00 0.00 H new ATOM 1052 N ALA A 68 -5.047 -5.345 -6.945 1.00 0.00 N ATOM 1053 CA ALA A 68 -4.231 -5.616 -5.771 1.00 0.00 C ATOM 1054 C ALA A 68 -4.810 -6.715 -4.883 1.00 0.00 C ATOM 1055 O ALA A 68 -5.975 -6.677 -4.495 1.00 0.00 O ATOM 1056 CB ALA A 68 -4.028 -4.350 -4.952 1.00 0.00 C ATOM 0 H ALA A 68 -6.044 -5.253 -6.748 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.270 -5.972 -6.144 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.415 -4.576 -4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.527 -3.598 -5.562 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.996 -3.968 -4.627 1.00 0.00 H new ATOM 1062 N PHE A 69 -3.960 -7.665 -4.489 1.00 0.00 N ATOM 1063 CA PHE A 69 -4.321 -8.756 -3.599 1.00 0.00 C ATOM 1064 C PHE A 69 -3.739 -8.474 -2.222 1.00 0.00 C ATOM 1065 O PHE A 69 -2.733 -9.076 -1.843 1.00 0.00 O ATOM 1066 CB PHE A 69 -3.842 -10.091 -4.159 1.00 0.00 C ATOM 1067 CG PHE A 69 -4.658 -10.642 -5.310 1.00 0.00 C ATOM 1068 CD1 PHE A 69 -4.556 -10.070 -6.592 1.00 0.00 C ATOM 1069 CD2 PHE A 69 -5.525 -11.733 -5.099 1.00 0.00 C ATOM 1070 CE1 PHE A 69 -5.317 -10.584 -7.656 1.00 0.00 C ATOM 1071 CE2 PHE A 69 -6.262 -12.265 -6.170 1.00 0.00 C ATOM 1072 CZ PHE A 69 -6.162 -11.688 -7.448 1.00 0.00 C ATOM 0 H PHE A 69 -2.985 -7.693 -4.788 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.405 -8.825 -3.514 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.809 -9.978 -4.489 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.840 -10.825 -3.353 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -3.892 -9.235 -6.758 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.623 -12.161 -4.112 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.253 -10.130 -8.634 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.906 -13.118 -6.012 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.734 -12.093 -8.270 1.00 0.00 H new ATOM 1082 N VAL A 70 -4.394 -7.566 -1.497 1.00 0.00 N ATOM 1083 CA VAL A 70 -4.263 -7.376 -0.055 1.00 0.00 C ATOM 1084 C VAL A 70 -4.478 -8.711 0.667 1.00 0.00 C ATOM 1085 O VAL A 70 -5.602 -9.202 0.723 1.00 0.00 O ATOM 1086 CB VAL A 70 -5.188 -6.254 0.439 1.00 0.00 C ATOM 1087 CG1 VAL A 70 -6.571 -6.266 -0.200 1.00 0.00 C ATOM 1088 CG2 VAL A 70 -5.301 -6.307 1.962 1.00 0.00 C ATOM 0 H VAL A 70 -5.058 -6.916 -1.918 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.251 -7.047 0.182 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.728 -5.316 0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.164 -5.444 0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.474 -6.151 -1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.066 -7.212 0.021 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.958 -5.509 2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.712 -7.271 2.263 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.313 -6.180 2.405 1.00 0.00 H new ATOM 1098 N LYS A 71 -3.411 -9.309 1.213 1.00 0.00 N ATOM 1099 CA LYS A 71 -3.505 -10.546 1.967 1.00 0.00 C ATOM 1100 C LYS A 71 -2.352 -10.713 2.960 1.00 0.00 C ATOM 1101 O LYS A 71 -1.590 -11.680 2.908 1.00 0.00 O ATOM 1102 CB LYS A 71 -3.746 -11.730 1.040 1.00 0.00 C ATOM 1103 CG LYS A 71 -2.603 -11.928 0.063 1.00 0.00 C ATOM 1104 CD LYS A 71 -3.069 -12.869 -1.060 1.00 0.00 C ATOM 1105 CE LYS A 71 -1.915 -13.293 -1.981 1.00 0.00 C ATOM 1106 NZ LYS A 71 -2.388 -14.049 -3.163 1.00 0.00 N ATOM 0 H LYS A 71 -2.462 -8.941 1.139 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.386 -10.500 2.607 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.876 -12.635 1.634 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.673 -11.575 0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.291 -10.970 -0.353 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.738 -12.350 0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.526 -13.756 -0.622 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.839 -12.373 -1.651 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.373 -12.407 -2.312 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.211 -13.906 -1.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.574 -14.313 -3.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.883 -14.909 -2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.040 -13.457 -3.716 1.00 0.00 H new ATOM 1120 N LYS A 72 -2.230 -9.769 3.891 1.00 0.00 N ATOM 1121 CA LYS A 72 -1.324 -9.874 5.021 1.00 0.00 C ATOM 1122 C LYS A 72 -1.850 -8.953 6.113 1.00 0.00 C ATOM 1123 O LYS A 72 -2.720 -8.124 5.852 1.00 0.00 O ATOM 1124 CB LYS A 72 0.097 -9.484 4.588 1.00 0.00 C ATOM 1125 CG LYS A 72 1.213 -10.297 5.259 1.00 0.00 C ATOM 1126 CD LYS A 72 1.318 -11.712 4.671 1.00 0.00 C ATOM 1127 CE LYS A 72 2.457 -12.462 5.377 1.00 0.00 C ATOM 1128 NZ LYS A 72 2.636 -13.838 4.874 1.00 0.00 N ATOM 0 H LYS A 72 -2.766 -8.901 3.877 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.275 -10.896 5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.179 -9.601 3.507 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.253 -8.428 4.807 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.165 -9.780 5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.022 -10.361 6.330 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.377 -12.246 4.803 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.508 -11.661 3.599 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.387 -11.908 5.245 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.255 -12.495 6.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.417 -14.296 5.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.760 -14.379 5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.857 -13.810 3.858 1.00 0.00 H new ATOM 1142 N ILE A 73 -1.300 -9.091 7.316 1.00 0.00 N ATOM 1143 CA ILE A 73 -1.570 -8.217 8.444 1.00 0.00 C ATOM 1144 C ILE A 73 -0.321 -8.252 9.322 1.00 0.00 C ATOM 1145 O ILE A 73 -0.331 -8.762 10.439 1.00 0.00 O ATOM 1146 CB ILE A 73 -2.887 -8.644 9.135 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -3.328 -7.677 10.247 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -2.864 -10.084 9.677 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -3.760 -6.311 9.701 1.00 0.00 C ATOM 0 H ILE A 73 -0.637 -9.835 7.535 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.746 -7.179 8.162 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.625 -8.604 8.334 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.154 -8.120 10.803 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.507 -7.540 10.951 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.821 -10.311 10.147 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.689 -10.779 8.856 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.066 -10.183 10.412 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.061 -5.668 10.528 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.927 -5.852 9.169 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.599 -6.441 9.018 1.00 0.00 H new