USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 641 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 77 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 8 ASN : amide:sc= -3.17 K(o=-5.6,f=-7!) USER MOD Set 2.2: A 10 LYS NZ :NH3+ -152:sc= -2.41 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= -0.321 (180deg=-1.56!) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0345 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -159:sc= -0.0896 (180deg=-0.791) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -7.75! C(o=-7.8!,f=-9.1!) USER MOD Single : A 23 THR OG1 : rot 92:sc= 1.06 USER MOD Single : A 27 THR OG1 : rot -59:sc= -2.03 USER MOD Single : A 28 LYS NZ :NH3+ -157:sc= 0.536 (180deg=0.274) USER MOD Single : A 29 THR OG1 : rot -179:sc= -3.48! USER MOD Single : A 30 LYS NZ :NH3+ 156:sc= -0.0388 (180deg=-0.821) USER MOD Single : A 33 GLN : amide:sc= -0.087 X(o=-0.087,f=-0.54) USER MOD Single : A 34 SER OG : rot 170:sc= 0 USER MOD Single : A 36 SER OG : rot -55:sc= 0.00967 USER MOD Single : A 37 CYS SG : rot 79:sc= -6.65! USER MOD Single : A 40 SER OG : rot -41:sc= 0.013 USER MOD Single : A 41 GLN : amide:sc= -2.49 X(o=-2.5,f=-2.6) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -54:sc= 0.138 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -4.76! C(o=-4.8!,f=-14!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 133:sc= -0.0832 (180deg=-0.58) USER MOD Single : A 56 THR OG1 : rot -79:sc= 0.64 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 22:sc= -5.63! USER MOD Single : A 63 LYS NZ :NH3+ -156:sc= -0.0402 (180deg=-0.373) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -3.5! C(o=-3.5!,f=-3.4!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -160:sc= -0.0125 (180deg=-0.493) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.596 -19.789 3.347 1.00 0.00 N ATOM 2 CA MET A 1 -1.209 -19.397 3.728 1.00 0.00 C ATOM 3 C MET A 1 -0.407 -19.087 2.468 1.00 0.00 C ATOM 4 O MET A 1 0.561 -19.778 2.150 1.00 0.00 O ATOM 5 CB MET A 1 -0.550 -20.540 4.507 1.00 0.00 C ATOM 6 CG MET A 1 -0.582 -21.831 3.679 1.00 0.00 C ATOM 7 SD MET A 1 -0.627 -23.259 4.791 1.00 0.00 S ATOM 8 CE MET A 1 1.145 -23.323 5.150 1.00 0.00 C ATOM 0 H1 MET A 1 -2.962 -20.480 4.033 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.206 -18.947 3.344 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.588 -20.214 2.398 1.00 0.00 H new ATOM 0 HA MET A 1 -1.237 -18.509 4.360 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.480 -20.279 4.748 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.070 -20.693 5.453 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.456 -21.836 3.027 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.296 -21.885 3.035 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.348 -24.148 5.833 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.699 -23.474 4.223 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.457 -22.386 5.611 1.00 0.00 H new ATOM 20 N VAL A 2 -0.813 -18.039 1.757 1.00 0.00 N ATOM 21 CA VAL A 2 -0.123 -17.640 0.534 1.00 0.00 C ATOM 22 C VAL A 2 0.944 -16.599 0.846 1.00 0.00 C ATOM 23 O VAL A 2 0.681 -15.590 1.499 1.00 0.00 O ATOM 24 CB VAL A 2 -1.133 -17.107 -0.508 1.00 0.00 C ATOM 25 CG1 VAL A 2 -2.547 -17.108 0.079 1.00 0.00 C ATOM 26 CG2 VAL A 2 -0.778 -15.677 -0.943 1.00 0.00 C ATOM 0 H VAL A 2 -1.611 -17.454 2.004 1.00 0.00 H new ATOM 0 HA VAL A 2 0.369 -18.514 0.107 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.089 -17.764 -1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.250 -16.731 -0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.825 -18.125 0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.575 -16.469 0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.506 -15.328 -1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.794 -15.018 -0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.217 -15.668 -1.387 1.00 0.00 H new ATOM 36 N SER A 3 2.146 -16.865 0.362 1.00 0.00 N ATOM 37 CA SER A 3 3.273 -15.967 0.564 1.00 0.00 C ATOM 38 C SER A 3 3.467 -15.105 -0.672 1.00 0.00 C ATOM 39 O SER A 3 3.342 -15.586 -1.797 1.00 0.00 O ATOM 40 CB SER A 3 4.544 -16.773 0.834 1.00 0.00 C ATOM 41 OG SER A 3 4.884 -17.517 -0.328 1.00 0.00 O ATOM 0 H SER A 3 2.368 -17.702 -0.178 1.00 0.00 H new ATOM 0 HA SER A 3 3.069 -15.328 1.423 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.362 -16.105 1.104 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.390 -17.445 1.678 1.00 0.00 H new ATOM 0 HG SER A 3 5.699 -18.034 -0.159 1.00 0.00 H new ATOM 47 N LEU A 4 3.760 -13.829 -0.465 1.00 0.00 N ATOM 48 CA LEU A 4 3.955 -12.916 -1.583 1.00 0.00 C ATOM 49 C LEU A 4 5.182 -12.051 -1.365 1.00 0.00 C ATOM 50 O LEU A 4 5.793 -12.070 -0.298 1.00 0.00 O ATOM 51 CB LEU A 4 2.731 -12.017 -1.743 1.00 0.00 C ATOM 52 CG LEU A 4 1.501 -12.879 -2.012 1.00 0.00 C ATOM 53 CD1 LEU A 4 0.246 -12.007 -1.940 1.00 0.00 C ATOM 54 CD2 LEU A 4 1.605 -13.528 -3.400 1.00 0.00 C ATOM 0 H LEU A 4 3.867 -13.405 0.457 1.00 0.00 H new ATOM 0 HA LEU A 4 4.097 -13.511 -2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.582 -11.423 -0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.885 -11.317 -2.564 1.00 0.00 H new ATOM 0 HG LEU A 4 1.442 -13.666 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.635 -12.620 -2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.169 -11.561 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.308 -11.217 -2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.722 -14.141 -3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.670 -12.751 -4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.496 -14.154 -3.443 1.00 0.00 H new ATOM 66 N THR A 5 5.525 -11.287 -2.390 1.00 0.00 N ATOM 67 CA THR A 5 6.681 -10.394 -2.318 1.00 0.00 C ATOM 68 C THR A 5 6.324 -9.008 -2.829 1.00 0.00 C ATOM 69 O THR A 5 5.921 -8.843 -3.980 1.00 0.00 O ATOM 70 CB THR A 5 7.844 -10.944 -3.150 1.00 0.00 C ATOM 71 OG1 THR A 5 8.388 -12.085 -2.502 1.00 0.00 O ATOM 72 CG2 THR A 5 8.930 -9.866 -3.295 1.00 0.00 C ATOM 0 H THR A 5 5.025 -11.264 -3.279 1.00 0.00 H new ATOM 0 HA THR A 5 6.981 -10.329 -1.272 1.00 0.00 H new ATOM 0 HB THR A 5 7.483 -11.225 -4.139 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.131 -12.440 -3.033 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.756 -10.259 -3.887 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.511 -8.992 -3.793 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.294 -9.581 -2.308 1.00 0.00 H new ATOM 80 N PHE A 6 6.496 -8.013 -1.973 1.00 0.00 N ATOM 81 CA PHE A 6 6.213 -6.640 -2.353 1.00 0.00 C ATOM 82 C PHE A 6 7.517 -5.951 -2.740 1.00 0.00 C ATOM 83 O PHE A 6 8.397 -5.764 -1.899 1.00 0.00 O ATOM 84 CB PHE A 6 5.560 -5.897 -1.186 1.00 0.00 C ATOM 85 CG PHE A 6 4.164 -6.429 -0.951 1.00 0.00 C ATOM 86 CD1 PHE A 6 3.972 -7.771 -0.596 1.00 0.00 C ATOM 87 CD2 PHE A 6 3.062 -5.576 -1.069 1.00 0.00 C ATOM 88 CE1 PHE A 6 2.680 -8.257 -0.366 1.00 0.00 C ATOM 89 CE2 PHE A 6 1.771 -6.062 -0.836 1.00 0.00 C ATOM 90 CZ PHE A 6 1.580 -7.402 -0.487 1.00 0.00 C ATOM 0 H PHE A 6 6.828 -8.130 -1.016 1.00 0.00 H new ATOM 0 HA PHE A 6 5.528 -6.631 -3.201 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.161 -6.019 -0.285 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.520 -4.829 -1.401 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.822 -8.431 -0.500 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.208 -4.541 -1.340 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.532 -9.292 -0.095 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.921 -5.401 -0.926 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.583 -7.777 -0.311 1.00 0.00 H new ATOM 100 N LYS A 7 7.654 -5.595 -4.017 1.00 0.00 N ATOM 101 CA LYS A 7 8.878 -4.951 -4.492 1.00 0.00 C ATOM 102 C LYS A 7 8.631 -3.495 -4.869 1.00 0.00 C ATOM 103 O LYS A 7 7.571 -3.142 -5.388 1.00 0.00 O ATOM 104 CB LYS A 7 9.441 -5.723 -5.694 1.00 0.00 C ATOM 105 CG LYS A 7 8.637 -5.395 -6.963 1.00 0.00 C ATOM 106 CD LYS A 7 9.337 -4.281 -7.755 1.00 0.00 C ATOM 107 CE LYS A 7 10.352 -4.896 -8.722 1.00 0.00 C ATOM 108 NZ LYS A 7 11.192 -3.817 -9.315 1.00 0.00 N ATOM 0 H LYS A 7 6.942 -5.739 -4.733 1.00 0.00 H new ATOM 0 HA LYS A 7 9.606 -4.965 -3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.489 -5.464 -5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.402 -6.794 -5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.540 -6.287 -7.582 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.628 -5.082 -6.694 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.601 -3.697 -8.308 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.840 -3.596 -7.072 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.982 -5.614 -8.197 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.834 -5.443 -9.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.881 -4.235 -9.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.585 -3.148 -9.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.697 -3.314 -8.557 1.00 0.00 H new ATOM 122 N ASN A 8 9.626 -2.652 -4.601 1.00 0.00 N ATOM 123 CA ASN A 8 9.528 -1.227 -4.909 1.00 0.00 C ATOM 124 C ASN A 8 10.526 -0.840 -5.998 1.00 0.00 C ATOM 125 O ASN A 8 11.101 -1.703 -6.659 1.00 0.00 O ATOM 126 CB ASN A 8 9.805 -0.404 -3.651 1.00 0.00 C ATOM 127 CG ASN A 8 11.099 -0.878 -2.996 1.00 0.00 C ATOM 128 OD1 ASN A 8 11.914 -1.539 -3.638 1.00 0.00 O ATOM 129 ND2 ASN A 8 11.336 -0.578 -1.748 1.00 0.00 N ATOM 0 H ASN A 8 10.508 -2.931 -4.172 1.00 0.00 H new ATOM 0 HA ASN A 8 8.519 -1.022 -5.268 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.882 0.653 -3.907 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.975 -0.503 -2.951 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.199 -0.892 -1.303 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.659 -0.030 -1.218 1.00 0.00 H new ATOM 136 N PHE A 9 10.722 0.463 -6.178 1.00 0.00 N ATOM 137 CA PHE A 9 11.649 0.955 -7.192 1.00 0.00 C ATOM 138 C PHE A 9 13.084 0.939 -6.669 1.00 0.00 C ATOM 139 O PHE A 9 14.013 1.341 -7.370 1.00 0.00 O ATOM 140 CB PHE A 9 11.265 2.383 -7.600 1.00 0.00 C ATOM 141 CG PHE A 9 10.255 2.347 -8.725 1.00 0.00 C ATOM 142 CD1 PHE A 9 9.226 1.397 -8.718 1.00 0.00 C ATOM 143 CD2 PHE A 9 10.349 3.267 -9.777 1.00 0.00 C ATOM 144 CE1 PHE A 9 8.293 1.367 -9.762 1.00 0.00 C ATOM 145 CE2 PHE A 9 9.416 3.237 -10.821 1.00 0.00 C ATOM 146 CZ PHE A 9 8.388 2.286 -10.813 1.00 0.00 C ATOM 0 H PHE A 9 10.255 1.192 -5.639 1.00 0.00 H new ATOM 0 HA PHE A 9 11.588 0.299 -8.060 1.00 0.00 H new ATOM 0 HB2 PHE A 9 10.849 2.915 -6.744 1.00 0.00 H new ATOM 0 HB3 PHE A 9 12.153 2.931 -7.915 1.00 0.00 H new ATOM 0 HD1 PHE A 9 9.152 0.687 -7.907 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.142 4.000 -9.783 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.500 0.634 -9.756 1.00 0.00 H new ATOM 0 HE2 PHE A 9 9.489 3.947 -11.632 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.668 2.262 -11.618 1.00 0.00 H new ATOM 156 N LYS A 10 13.261 0.470 -5.437 1.00 0.00 N ATOM 157 CA LYS A 10 14.590 0.404 -4.836 1.00 0.00 C ATOM 158 C LYS A 10 15.162 -0.998 -4.991 1.00 0.00 C ATOM 159 O LYS A 10 16.186 -1.336 -4.397 1.00 0.00 O ATOM 160 CB LYS A 10 14.516 0.772 -3.351 1.00 0.00 C ATOM 161 CG LYS A 10 14.326 2.290 -3.202 1.00 0.00 C ATOM 162 CD LYS A 10 13.349 2.584 -2.057 1.00 0.00 C ATOM 163 CE LYS A 10 11.910 2.414 -2.551 1.00 0.00 C ATOM 164 NZ LYS A 10 11.022 2.099 -1.397 1.00 0.00 N ATOM 0 H LYS A 10 12.507 0.132 -4.839 1.00 0.00 H new ATOM 0 HA LYS A 10 15.241 1.114 -5.346 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.689 0.244 -2.876 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.428 0.458 -2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.286 2.768 -3.004 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.946 2.711 -4.133 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.539 1.910 -1.222 1.00 0.00 H new ATOM 0 HD3 LYS A 10 13.500 3.599 -1.689 1.00 0.00 H new ATOM 0 HE2 LYS A 10 11.573 3.326 -3.044 1.00 0.00 H new ATOM 0 HE3 LYS A 10 11.860 1.615 -3.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.210 1.539 -1.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 11.554 1.554 -0.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.682 2.984 -0.969 1.00 0.00 H new ATOM 178 N LYS A 11 14.485 -1.808 -5.798 1.00 0.00 N ATOM 179 CA LYS A 11 14.918 -3.179 -6.040 1.00 0.00 C ATOM 180 C LYS A 11 15.017 -3.957 -4.731 1.00 0.00 C ATOM 181 O LYS A 11 15.955 -4.728 -4.527 1.00 0.00 O ATOM 182 CB LYS A 11 16.278 -3.184 -6.747 1.00 0.00 C ATOM 183 CG LYS A 11 16.128 -2.621 -8.172 1.00 0.00 C ATOM 184 CD LYS A 11 17.105 -1.460 -8.377 1.00 0.00 C ATOM 185 CE LYS A 11 17.022 -0.972 -9.824 1.00 0.00 C ATOM 186 NZ LYS A 11 17.425 -2.072 -10.744 1.00 0.00 N ATOM 0 H LYS A 11 13.636 -1.539 -6.295 1.00 0.00 H new ATOM 0 HA LYS A 11 14.177 -3.662 -6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.993 -2.585 -6.183 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.673 -4.199 -6.787 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.321 -3.405 -8.905 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.105 -2.280 -8.332 1.00 0.00 H new ATOM 0 HD2 LYS A 11 16.867 -0.645 -7.693 1.00 0.00 H new ATOM 0 HD3 LYS A 11 18.121 -1.781 -8.148 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.007 -0.647 -10.052 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.672 -0.109 -9.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.712 -1.671 -11.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.222 -2.596 -10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.622 -2.718 -10.886 1.00 0.00 H new ATOM 200 N GLU A 12 14.040 -3.754 -3.851 1.00 0.00 N ATOM 201 CA GLU A 12 14.019 -4.447 -2.564 1.00 0.00 C ATOM 202 C GLU A 12 12.758 -5.296 -2.440 1.00 0.00 C ATOM 203 O GLU A 12 11.671 -4.862 -2.816 1.00 0.00 O ATOM 204 CB GLU A 12 14.064 -3.431 -1.421 1.00 0.00 C ATOM 205 CG GLU A 12 15.199 -2.436 -1.666 1.00 0.00 C ATOM 206 CD GLU A 12 15.481 -1.643 -0.394 1.00 0.00 C ATOM 207 OE1 GLU A 12 14.541 -1.104 0.165 1.00 0.00 O ATOM 208 OE2 GLU A 12 16.634 -1.587 0.002 1.00 0.00 O ATOM 0 H GLU A 12 13.256 -3.119 -4.003 1.00 0.00 H new ATOM 0 HA GLU A 12 14.893 -5.096 -2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.113 -2.904 -1.352 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.214 -3.943 -0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.098 -2.967 -1.980 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.930 -1.757 -2.476 1.00 0.00 H new ATOM 215 N LYS A 13 12.913 -6.508 -1.917 1.00 0.00 N ATOM 216 CA LYS A 13 11.791 -7.417 -1.754 1.00 0.00 C ATOM 217 C LYS A 13 11.350 -7.477 -0.296 1.00 0.00 C ATOM 218 O LYS A 13 12.175 -7.612 0.608 1.00 0.00 O ATOM 219 CB LYS A 13 12.208 -8.810 -2.210 1.00 0.00 C ATOM 220 CG LYS A 13 12.978 -8.702 -3.531 1.00 0.00 C ATOM 221 CD LYS A 13 12.729 -9.954 -4.374 1.00 0.00 C ATOM 222 CE LYS A 13 13.807 -10.073 -5.454 1.00 0.00 C ATOM 223 NZ LYS A 13 13.557 -9.061 -6.520 1.00 0.00 N ATOM 0 H LYS A 13 13.808 -6.881 -1.599 1.00 0.00 H new ATOM 0 HA LYS A 13 10.957 -7.055 -2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.831 -9.282 -1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.329 -9.441 -2.339 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.660 -7.814 -4.077 1.00 0.00 H new ATOM 0 HG3 LYS A 13 14.044 -8.590 -3.334 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.738 -10.840 -3.739 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.743 -9.903 -4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.794 -9.920 -5.017 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.800 -11.076 -5.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.289 -9.142 -7.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.622 -9.227 -6.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.585 -8.107 -6.107 1.00 0.00 H new ATOM 237 N VAL A 14 10.043 -7.385 -0.080 1.00 0.00 N ATOM 238 CA VAL A 14 9.487 -7.437 1.272 1.00 0.00 C ATOM 239 C VAL A 14 8.467 -8.570 1.378 1.00 0.00 C ATOM 240 O VAL A 14 7.264 -8.351 1.235 1.00 0.00 O ATOM 241 CB VAL A 14 8.817 -6.105 1.614 1.00 0.00 C ATOM 242 CG1 VAL A 14 8.258 -6.162 3.038 1.00 0.00 C ATOM 243 CG2 VAL A 14 9.846 -4.977 1.517 1.00 0.00 C ATOM 0 H VAL A 14 9.349 -7.274 -0.819 1.00 0.00 H new ATOM 0 HA VAL A 14 10.297 -7.621 1.977 1.00 0.00 H new ATOM 0 HB VAL A 14 8.004 -5.919 0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.781 -5.212 3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.524 -6.965 3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.070 -6.349 3.740 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.369 -4.028 1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.659 -5.165 2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.244 -4.934 0.503 1.00 0.00 H new ATOM 253 N PRO A 15 8.930 -9.772 1.611 1.00 0.00 N ATOM 254 CA PRO A 15 8.048 -10.974 1.725 1.00 0.00 C ATOM 255 C PRO A 15 6.898 -10.781 2.713 1.00 0.00 C ATOM 256 O PRO A 15 7.047 -10.120 3.739 1.00 0.00 O ATOM 257 CB PRO A 15 8.994 -12.080 2.202 1.00 0.00 C ATOM 258 CG PRO A 15 10.355 -11.649 1.765 1.00 0.00 C ATOM 259 CD PRO A 15 10.349 -10.121 1.789 1.00 0.00 C ATOM 0 HA PRO A 15 7.559 -11.198 0.777 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.947 -12.198 3.285 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.727 -13.042 1.765 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.121 -12.045 2.431 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.579 -12.021 0.765 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.741 -9.734 2.730 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.966 -9.706 0.992 1.00 0.00 H new ATOM 267 N LEU A 16 5.754 -11.380 2.388 1.00 0.00 N ATOM 268 CA LEU A 16 4.571 -11.292 3.240 1.00 0.00 C ATOM 269 C LEU A 16 3.725 -12.555 3.108 1.00 0.00 C ATOM 270 O LEU A 16 3.963 -13.387 2.235 1.00 0.00 O ATOM 271 CB LEU A 16 3.713 -10.086 2.841 1.00 0.00 C ATOM 272 CG LEU A 16 4.306 -8.795 3.411 1.00 0.00 C ATOM 273 CD1 LEU A 16 3.494 -7.596 2.898 1.00 0.00 C ATOM 274 CD2 LEU A 16 4.260 -8.825 4.947 1.00 0.00 C ATOM 0 H LEU A 16 5.622 -11.932 1.540 1.00 0.00 H new ATOM 0 HA LEU A 16 4.908 -11.180 4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.654 -10.018 1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.695 -10.219 3.208 1.00 0.00 H new ATOM 0 HG LEU A 16 5.344 -8.705 3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.912 -6.674 3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.535 -7.568 1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.457 -7.695 3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.684 -7.902 5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.226 -8.920 5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.837 -9.675 5.312 1.00 0.00 H new ATOM 286 N ASP A 17 2.724 -12.672 3.973 1.00 0.00 N ATOM 287 CA ASP A 17 1.815 -13.815 3.951 1.00 0.00 C ATOM 288 C ASP A 17 0.391 -13.332 4.187 1.00 0.00 C ATOM 289 O ASP A 17 0.144 -12.527 5.086 1.00 0.00 O ATOM 290 CB ASP A 17 2.196 -14.823 5.034 1.00 0.00 C ATOM 291 CG ASP A 17 3.648 -15.253 4.861 1.00 0.00 C ATOM 292 OD1 ASP A 17 4.516 -14.546 5.347 1.00 0.00 O ATOM 293 OD2 ASP A 17 3.873 -16.282 4.247 1.00 0.00 O ATOM 0 H ASP A 17 2.520 -11.987 4.701 1.00 0.00 H new ATOM 0 HA ASP A 17 1.886 -14.302 2.978 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.055 -14.380 6.020 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.542 -15.693 4.979 1.00 0.00 H new ATOM 298 N LEU A 18 -0.542 -13.810 3.371 1.00 0.00 N ATOM 299 CA LEU A 18 -1.938 -13.392 3.499 1.00 0.00 C ATOM 300 C LEU A 18 -2.894 -14.565 3.341 1.00 0.00 C ATOM 301 O LEU A 18 -2.478 -15.699 3.100 1.00 0.00 O ATOM 302 CB LEU A 18 -2.257 -12.348 2.430 1.00 0.00 C ATOM 303 CG LEU A 18 -1.528 -11.032 2.749 1.00 0.00 C ATOM 304 CD1 LEU A 18 -0.562 -10.687 1.613 1.00 0.00 C ATOM 305 CD2 LEU A 18 -2.554 -9.908 2.908 1.00 0.00 C ATOM 0 H LEU A 18 -0.363 -14.479 2.622 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.069 -12.974 4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.952 -12.714 1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.333 -12.177 2.386 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.965 -11.146 3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.048 -9.754 1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.170 -11.487 1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.119 -10.574 0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.039 -8.974 3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.118 -9.796 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.237 -10.152 3.721 1.00 0.00 H new ATOM 317 N GLU A 19 -4.186 -14.270 3.470 1.00 0.00 N ATOM 318 CA GLU A 19 -5.222 -15.284 3.333 1.00 0.00 C ATOM 319 C GLU A 19 -6.229 -14.853 2.269 1.00 0.00 C ATOM 320 O GLU A 19 -6.448 -13.659 2.068 1.00 0.00 O ATOM 321 CB GLU A 19 -5.938 -15.478 4.673 1.00 0.00 C ATOM 322 CG GLU A 19 -4.987 -16.150 5.666 1.00 0.00 C ATOM 323 CD GLU A 19 -5.670 -16.300 7.021 1.00 0.00 C ATOM 324 OE1 GLU A 19 -6.467 -15.441 7.360 1.00 0.00 O ATOM 325 OE2 GLU A 19 -5.386 -17.273 7.701 1.00 0.00 O ATOM 0 H GLU A 19 -4.538 -13.334 3.670 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.763 -16.226 3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.269 -14.516 5.064 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.830 -16.090 4.536 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.687 -17.128 5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.079 -15.557 5.771 1.00 0.00 H new ATOM 332 N PRO A 20 -6.847 -15.786 1.590 1.00 0.00 N ATOM 333 CA PRO A 20 -7.849 -15.468 0.535 1.00 0.00 C ATOM 334 C PRO A 20 -8.897 -14.484 1.037 1.00 0.00 C ATOM 335 O PRO A 20 -9.495 -13.742 0.258 1.00 0.00 O ATOM 336 CB PRO A 20 -8.498 -16.820 0.195 1.00 0.00 C ATOM 337 CG PRO A 20 -7.940 -17.825 1.160 1.00 0.00 C ATOM 338 CD PRO A 20 -6.664 -17.231 1.750 1.00 0.00 C ATOM 0 HA PRO A 20 -7.385 -14.995 -0.331 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.583 -16.761 0.283 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.277 -17.107 -0.833 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.662 -18.043 1.947 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.727 -18.766 0.653 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.542 -17.506 2.798 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.777 -17.583 1.223 1.00 0.00 H new ATOM 346 N SER A 21 -9.118 -14.495 2.345 1.00 0.00 N ATOM 347 CA SER A 21 -10.107 -13.607 2.949 1.00 0.00 C ATOM 348 C SER A 21 -9.493 -12.253 3.283 1.00 0.00 C ATOM 349 O SER A 21 -10.183 -11.234 3.263 1.00 0.00 O ATOM 350 CB SER A 21 -10.674 -14.242 4.218 1.00 0.00 C ATOM 351 OG SER A 21 -11.259 -15.497 3.894 1.00 0.00 O ATOM 0 H SER A 21 -8.632 -15.102 3.004 1.00 0.00 H new ATOM 0 HA SER A 21 -10.911 -13.454 2.229 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.883 -14.376 4.956 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.420 -13.585 4.666 1.00 0.00 H new ATOM 0 HG SER A 21 -11.622 -15.908 4.706 1.00 0.00 H new ATOM 357 N ASN A 22 -8.196 -12.236 3.572 1.00 0.00 N ATOM 358 CA ASN A 22 -7.530 -10.985 3.880 1.00 0.00 C ATOM 359 C ASN A 22 -7.647 -10.065 2.680 1.00 0.00 C ATOM 360 O ASN A 22 -7.979 -10.511 1.582 1.00 0.00 O ATOM 361 CB ASN A 22 -6.057 -11.230 4.212 1.00 0.00 C ATOM 362 CG ASN A 22 -5.923 -11.755 5.638 1.00 0.00 C ATOM 363 OD1 ASN A 22 -5.125 -12.655 5.897 1.00 0.00 O ATOM 364 ND2 ASN A 22 -6.659 -11.240 6.585 1.00 0.00 N ATOM 0 H ASN A 22 -7.597 -13.061 3.598 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.001 -10.525 4.749 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.632 -11.948 3.510 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.492 -10.304 4.102 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.573 -11.584 7.542 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.320 -10.494 6.368 1.00 0.00 H new ATOM 371 N THR A 23 -7.393 -8.782 2.880 1.00 0.00 N ATOM 372 CA THR A 23 -7.502 -7.839 1.780 1.00 0.00 C ATOM 373 C THR A 23 -6.462 -6.735 1.869 1.00 0.00 C ATOM 374 O THR A 23 -5.893 -6.466 2.927 1.00 0.00 O ATOM 375 CB THR A 23 -8.910 -7.232 1.749 1.00 0.00 C ATOM 376 OG1 THR A 23 -8.832 -5.862 1.380 1.00 0.00 O ATOM 377 CG2 THR A 23 -9.545 -7.356 3.130 1.00 0.00 C ATOM 0 H THR A 23 -7.116 -8.376 3.774 1.00 0.00 H new ATOM 0 HA THR A 23 -7.318 -8.388 0.857 1.00 0.00 H new ATOM 0 HB THR A 23 -9.520 -7.765 1.020 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.934 -5.778 0.409 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.546 -6.925 3.110 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.608 -8.408 3.408 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.935 -6.824 3.860 1.00 0.00 H new ATOM 385 N ILE A 24 -6.232 -6.107 0.726 1.00 0.00 N ATOM 386 CA ILE A 24 -5.275 -5.028 0.603 1.00 0.00 C ATOM 387 C ILE A 24 -5.240 -4.167 1.852 1.00 0.00 C ATOM 388 O ILE A 24 -4.174 -3.757 2.301 1.00 0.00 O ATOM 389 CB ILE A 24 -5.672 -4.169 -0.597 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.951 -5.054 -1.823 1.00 0.00 C ATOM 391 CG2 ILE A 24 -4.561 -3.183 -0.916 1.00 0.00 C ATOM 392 CD1 ILE A 24 -4.925 -6.185 -1.912 1.00 0.00 C ATOM 0 H ILE A 24 -6.709 -6.336 -0.146 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.281 -5.453 0.467 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.580 -3.621 -0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.956 -5.471 -1.757 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.916 -4.451 -2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.850 -2.574 -1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.388 -2.539 -0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.647 -3.728 -1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.138 -6.801 -2.785 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.924 -5.762 -2.001 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.981 -6.799 -1.013 1.00 0.00 H new ATOM 404 N LEU A 25 -6.403 -3.892 2.410 1.00 0.00 N ATOM 405 CA LEU A 25 -6.474 -3.078 3.606 1.00 0.00 C ATOM 406 C LEU A 25 -5.409 -3.524 4.597 1.00 0.00 C ATOM 407 O LEU A 25 -4.703 -2.705 5.180 1.00 0.00 O ATOM 408 CB LEU A 25 -7.866 -3.224 4.227 1.00 0.00 C ATOM 409 CG LEU A 25 -7.971 -2.454 5.552 1.00 0.00 C ATOM 410 CD1 LEU A 25 -7.227 -3.189 6.679 1.00 0.00 C ATOM 411 CD2 LEU A 25 -7.402 -1.037 5.390 1.00 0.00 C ATOM 0 H LEU A 25 -7.303 -4.217 2.058 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.298 -2.033 3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.618 -2.855 3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.081 -4.279 4.399 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.025 -2.389 5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.318 -2.622 7.605 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.661 -4.179 6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.174 -3.288 6.416 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.483 -0.502 6.336 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.354 -1.097 5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.965 -0.504 4.623 1.00 0.00 H new ATOM 423 N GLU A 26 -5.313 -4.835 4.785 1.00 0.00 N ATOM 424 CA GLU A 26 -4.349 -5.402 5.718 1.00 0.00 C ATOM 425 C GLU A 26 -2.956 -5.515 5.102 1.00 0.00 C ATOM 426 O GLU A 26 -1.968 -5.146 5.736 1.00 0.00 O ATOM 427 CB GLU A 26 -4.857 -6.779 6.182 1.00 0.00 C ATOM 428 CG GLU A 26 -3.917 -7.891 5.720 1.00 0.00 C ATOM 429 CD GLU A 26 -4.408 -9.236 6.243 1.00 0.00 C ATOM 430 OE1 GLU A 26 -5.381 -9.241 6.980 1.00 0.00 O ATOM 431 OE2 GLU A 26 -3.804 -10.238 5.902 1.00 0.00 O ATOM 0 H GLU A 26 -5.891 -5.524 4.304 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.257 -4.734 6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.938 -6.794 7.269 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.857 -6.955 5.786 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.869 -7.910 4.631 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.906 -7.698 6.080 1.00 0.00 H new ATOM 438 N THR A 27 -2.866 -6.026 3.878 1.00 0.00 N ATOM 439 CA THR A 27 -1.560 -6.163 3.246 1.00 0.00 C ATOM 440 C THR A 27 -0.843 -4.822 3.293 1.00 0.00 C ATOM 441 O THR A 27 0.344 -4.745 3.609 1.00 0.00 O ATOM 442 CB THR A 27 -1.719 -6.675 1.804 1.00 0.00 C ATOM 443 OG1 THR A 27 -0.822 -7.754 1.590 1.00 0.00 O ATOM 444 CG2 THR A 27 -1.420 -5.564 0.801 1.00 0.00 C ATOM 0 H THR A 27 -3.657 -6.344 3.318 1.00 0.00 H new ATOM 0 HA THR A 27 -0.958 -6.895 3.785 1.00 0.00 H new ATOM 0 HB THR A 27 -2.747 -7.007 1.661 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.097 -7.451 1.744 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.538 -5.947 -0.213 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.111 -4.736 0.959 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.397 -5.214 0.940 1.00 0.00 H new ATOM 452 N LYS A 28 -1.588 -3.770 2.998 1.00 0.00 N ATOM 453 CA LYS A 28 -1.042 -2.424 3.028 1.00 0.00 C ATOM 454 C LYS A 28 -0.600 -2.067 4.445 1.00 0.00 C ATOM 455 O LYS A 28 0.482 -1.517 4.641 1.00 0.00 O ATOM 456 CB LYS A 28 -2.094 -1.431 2.546 1.00 0.00 C ATOM 457 CG LYS A 28 -2.049 -1.341 1.018 1.00 0.00 C ATOM 458 CD LYS A 28 -2.740 -0.060 0.576 1.00 0.00 C ATOM 459 CE LYS A 28 -2.621 0.098 -0.941 1.00 0.00 C ATOM 460 NZ LYS A 28 -2.926 1.507 -1.320 1.00 0.00 N ATOM 0 H LYS A 28 -2.572 -3.822 2.735 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.176 -2.378 2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.085 -1.747 2.873 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.911 -0.450 2.984 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.016 -1.350 0.671 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.542 -2.207 0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.790 -0.084 0.867 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.290 0.798 1.076 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.616 -0.168 -1.267 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.309 -0.582 -1.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.227 1.541 -2.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.688 1.872 -0.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.075 2.092 -1.196 1.00 0.00 H new ATOM 474 N THR A 29 -1.437 -2.390 5.433 1.00 0.00 N ATOM 475 CA THR A 29 -1.102 -2.098 6.821 1.00 0.00 C ATOM 476 C THR A 29 0.197 -2.797 7.203 1.00 0.00 C ATOM 477 O THR A 29 1.188 -2.150 7.540 1.00 0.00 O ATOM 478 CB THR A 29 -2.233 -2.564 7.747 1.00 0.00 C ATOM 479 OG1 THR A 29 -3.452 -2.591 7.022 1.00 0.00 O ATOM 480 CG2 THR A 29 -2.366 -1.599 8.924 1.00 0.00 C ATOM 0 H THR A 29 -2.339 -2.847 5.298 1.00 0.00 H new ATOM 0 HA THR A 29 -0.974 -1.021 6.931 1.00 0.00 H new ATOM 0 HB THR A 29 -2.005 -3.562 8.122 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.179 -2.875 7.615 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.170 -1.933 9.579 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.430 -1.574 9.482 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.593 -0.600 8.552 1.00 0.00 H new ATOM 488 N LYS A 30 0.184 -4.124 7.141 1.00 0.00 N ATOM 489 CA LYS A 30 1.369 -4.900 7.475 1.00 0.00 C ATOM 490 C LYS A 30 2.569 -4.369 6.703 1.00 0.00 C ATOM 491 O LYS A 30 3.555 -3.931 7.295 1.00 0.00 O ATOM 492 CB LYS A 30 1.145 -6.375 7.134 1.00 0.00 C ATOM 493 CG LYS A 30 2.389 -7.189 7.510 1.00 0.00 C ATOM 494 CD LYS A 30 2.462 -7.361 9.033 1.00 0.00 C ATOM 495 CE LYS A 30 3.406 -8.516 9.372 1.00 0.00 C ATOM 496 NZ LYS A 30 4.614 -8.443 8.504 1.00 0.00 N ATOM 0 H LYS A 30 -0.626 -4.679 6.865 1.00 0.00 H new ATOM 0 HA LYS A 30 1.561 -4.809 8.544 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.275 -6.754 7.671 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.935 -6.484 6.070 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.355 -8.165 7.027 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.286 -6.686 7.149 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.816 -6.440 9.497 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.469 -7.559 9.435 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.696 -8.466 10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.898 -9.469 9.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.406 -8.931 8.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.414 -8.900 7.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.867 -7.447 8.344 1.00 0.00 H new ATOM 510 N LEU A 31 2.477 -4.407 5.378 1.00 0.00 N ATOM 511 CA LEU A 31 3.562 -3.921 4.539 1.00 0.00 C ATOM 512 C LEU A 31 4.099 -2.603 5.084 1.00 0.00 C ATOM 513 O LEU A 31 5.259 -2.256 4.866 1.00 0.00 O ATOM 514 CB LEU A 31 3.053 -3.715 3.111 1.00 0.00 C ATOM 515 CG LEU A 31 4.196 -3.231 2.213 1.00 0.00 C ATOM 516 CD1 LEU A 31 5.291 -4.302 2.147 1.00 0.00 C ATOM 517 CD2 LEU A 31 3.647 -2.960 0.805 1.00 0.00 C ATOM 0 H LEU A 31 1.670 -4.766 4.868 1.00 0.00 H new ATOM 0 HA LEU A 31 4.365 -4.658 4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.645 -4.648 2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.242 -2.986 3.106 1.00 0.00 H new ATOM 0 HG LEU A 31 4.622 -2.315 2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.102 -3.954 1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.675 -4.492 3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.875 -5.223 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.455 -2.615 0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.223 -3.878 0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.873 -2.195 0.857 1.00 0.00 H new ATOM 529 N ALA A 32 3.245 -1.876 5.795 1.00 0.00 N ATOM 530 CA ALA A 32 3.642 -0.596 6.372 1.00 0.00 C ATOM 531 C ALA A 32 4.419 -0.816 7.666 1.00 0.00 C ATOM 532 O ALA A 32 5.409 -0.136 7.934 1.00 0.00 O ATOM 533 CB ALA A 32 2.400 0.265 6.644 1.00 0.00 C ATOM 0 H ALA A 32 2.280 -2.148 5.985 1.00 0.00 H new ATOM 0 HA ALA A 32 4.286 -0.077 5.662 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.706 1.219 7.075 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.869 0.443 5.709 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.743 -0.254 7.342 1.00 0.00 H new ATOM 539 N GLN A 33 3.960 -1.775 8.459 1.00 0.00 N ATOM 540 CA GLN A 33 4.610 -2.092 9.725 1.00 0.00 C ATOM 541 C GLN A 33 5.854 -2.938 9.486 1.00 0.00 C ATOM 542 O GLN A 33 6.690 -3.100 10.375 1.00 0.00 O ATOM 543 CB GLN A 33 3.642 -2.846 10.639 1.00 0.00 C ATOM 544 CG GLN A 33 2.442 -1.954 10.960 1.00 0.00 C ATOM 545 CD GLN A 33 1.538 -2.643 11.978 1.00 0.00 C ATOM 546 OE1 GLN A 33 2.025 -3.219 12.951 1.00 0.00 O ATOM 547 NE2 GLN A 33 0.245 -2.617 11.810 1.00 0.00 N ATOM 0 H GLN A 33 3.142 -2.346 8.249 1.00 0.00 H new ATOM 0 HA GLN A 33 4.904 -1.159 10.206 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.307 -3.763 10.154 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.148 -3.138 11.559 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.785 -0.997 11.354 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.882 -1.741 10.049 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.155 -2.139 11.003 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.366 -3.075 12.486 1.00 0.00 H new ATOM 556 N SER A 34 5.965 -3.474 8.278 1.00 0.00 N ATOM 557 CA SER A 34 7.106 -4.304 7.920 1.00 0.00 C ATOM 558 C SER A 34 8.301 -3.421 7.619 1.00 0.00 C ATOM 559 O SER A 34 9.399 -3.641 8.133 1.00 0.00 O ATOM 560 CB SER A 34 6.772 -5.159 6.697 1.00 0.00 C ATOM 561 OG SER A 34 7.877 -6.000 6.397 1.00 0.00 O ATOM 0 H SER A 34 5.281 -3.349 7.532 1.00 0.00 H new ATOM 0 HA SER A 34 7.344 -4.963 8.755 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.884 -5.761 6.891 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.544 -4.520 5.844 1.00 0.00 H new ATOM 0 HG SER A 34 7.613 -6.659 5.721 1.00 0.00 H new ATOM 567 N ILE A 35 8.074 -2.405 6.796 1.00 0.00 N ATOM 568 CA ILE A 35 9.125 -1.476 6.446 1.00 0.00 C ATOM 569 C ILE A 35 9.116 -0.314 7.432 1.00 0.00 C ATOM 570 O ILE A 35 10.078 0.450 7.513 1.00 0.00 O ATOM 571 CB ILE A 35 8.921 -0.980 5.017 1.00 0.00 C ATOM 572 CG1 ILE A 35 7.669 -0.102 4.943 1.00 0.00 C ATOM 573 CG2 ILE A 35 8.755 -2.183 4.087 1.00 0.00 C ATOM 574 CD1 ILE A 35 7.363 0.248 3.480 1.00 0.00 C ATOM 0 H ILE A 35 7.172 -2.209 6.363 1.00 0.00 H new ATOM 0 HA ILE A 35 10.094 -1.973 6.499 1.00 0.00 H new ATOM 0 HB ILE A 35 9.787 -0.392 4.711 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.821 -0.624 5.386 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.819 0.810 5.521 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.609 -1.835 3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.649 -2.805 4.134 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.889 -2.767 4.399 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.471 0.873 3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.207 0.788 3.051 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.193 -0.668 2.914 1.00 0.00 H new ATOM 586 N SER A 36 8.025 -0.212 8.200 1.00 0.00 N ATOM 587 CA SER A 36 7.895 0.837 9.216 1.00 0.00 C ATOM 588 C SER A 36 7.270 2.112 8.652 1.00 0.00 C ATOM 589 O SER A 36 7.479 3.199 9.190 1.00 0.00 O ATOM 590 CB SER A 36 9.261 1.164 9.827 1.00 0.00 C ATOM 591 OG SER A 36 9.080 1.628 11.158 1.00 0.00 O ATOM 0 H SER A 36 7.224 -0.840 8.137 1.00 0.00 H new ATOM 0 HA SER A 36 7.230 0.450 9.988 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.896 0.278 9.821 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.767 1.923 9.230 1.00 0.00 H new ATOM 0 HG SER A 36 8.456 2.384 11.159 1.00 0.00 H new ATOM 597 N CYS A 37 6.484 1.974 7.591 1.00 0.00 N ATOM 598 CA CYS A 37 5.813 3.126 6.992 1.00 0.00 C ATOM 599 C CYS A 37 4.310 2.984 7.182 1.00 0.00 C ATOM 600 O CYS A 37 3.853 2.041 7.825 1.00 0.00 O ATOM 601 CB CYS A 37 6.145 3.237 5.499 1.00 0.00 C ATOM 602 SG CYS A 37 5.030 2.180 4.539 1.00 0.00 S ATOM 0 H CYS A 37 6.295 1.084 7.129 1.00 0.00 H new ATOM 0 HA CYS A 37 6.163 4.033 7.484 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.050 4.273 5.172 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.180 2.942 5.325 1.00 0.00 H new ATOM 0 HG CYS A 37 3.880 2.771 4.405 1.00 0.00 H new ATOM 608 N GLU A 38 3.545 3.917 6.626 1.00 0.00 N ATOM 609 CA GLU A 38 2.093 3.863 6.747 1.00 0.00 C ATOM 610 C GLU A 38 1.465 3.489 5.405 1.00 0.00 C ATOM 611 O GLU A 38 2.088 3.630 4.352 1.00 0.00 O ATOM 612 CB GLU A 38 1.552 5.212 7.231 1.00 0.00 C ATOM 613 CG GLU A 38 1.451 6.176 6.052 1.00 0.00 C ATOM 614 CD GLU A 38 1.274 7.604 6.558 1.00 0.00 C ATOM 615 OE1 GLU A 38 0.691 7.769 7.616 1.00 0.00 O ATOM 616 OE2 GLU A 38 1.725 8.512 5.879 1.00 0.00 O ATOM 0 H GLU A 38 3.901 4.711 6.093 1.00 0.00 H new ATOM 0 HA GLU A 38 1.830 3.099 7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.572 5.079 7.690 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.209 5.625 7.996 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.349 6.108 5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.609 5.900 5.417 1.00 0.00 H new ATOM 623 N GLU A 39 0.231 3.008 5.458 1.00 0.00 N ATOM 624 CA GLU A 39 -0.486 2.605 4.249 1.00 0.00 C ATOM 625 C GLU A 39 -1.023 3.820 3.500 1.00 0.00 C ATOM 626 O GLU A 39 -1.364 3.743 2.320 1.00 0.00 O ATOM 627 CB GLU A 39 -1.651 1.667 4.601 1.00 0.00 C ATOM 628 CG GLU A 39 -2.453 2.214 5.788 1.00 0.00 C ATOM 629 CD GLU A 39 -3.064 3.565 5.434 1.00 0.00 C ATOM 630 OE1 GLU A 39 -3.738 3.642 4.419 1.00 0.00 O ATOM 631 OE2 GLU A 39 -2.851 4.504 6.183 1.00 0.00 O ATOM 0 H GLU A 39 -0.297 2.886 6.322 1.00 0.00 H new ATOM 0 HA GLU A 39 0.220 2.079 3.606 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.305 1.552 3.737 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.266 0.676 4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.240 1.511 6.059 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.804 2.317 6.658 1.00 0.00 H new ATOM 638 N SER A 40 -1.134 4.923 4.219 1.00 0.00 N ATOM 639 CA SER A 40 -1.679 6.162 3.662 1.00 0.00 C ATOM 640 C SER A 40 -0.898 6.692 2.455 1.00 0.00 C ATOM 641 O SER A 40 -1.393 7.571 1.749 1.00 0.00 O ATOM 642 CB SER A 40 -1.721 7.237 4.750 1.00 0.00 C ATOM 643 OG SER A 40 -2.751 8.169 4.447 1.00 0.00 O ATOM 0 H SER A 40 -0.854 4.992 5.197 1.00 0.00 H new ATOM 0 HA SER A 40 -2.681 5.925 3.306 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.902 6.780 5.723 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.760 7.747 4.812 1.00 0.00 H new ATOM 0 HG SER A 40 -2.745 8.362 3.486 1.00 0.00 H new ATOM 649 N GLN A 41 0.306 6.183 2.210 1.00 0.00 N ATOM 650 CA GLN A 41 1.094 6.658 1.071 1.00 0.00 C ATOM 651 C GLN A 41 1.418 5.502 0.143 1.00 0.00 C ATOM 652 O GLN A 41 1.671 5.689 -1.047 1.00 0.00 O ATOM 653 CB GLN A 41 2.393 7.310 1.560 1.00 0.00 C ATOM 654 CG GLN A 41 2.645 6.924 3.010 1.00 0.00 C ATOM 655 CD GLN A 41 3.935 7.569 3.507 1.00 0.00 C ATOM 656 OE1 GLN A 41 3.902 8.643 4.105 1.00 0.00 O ATOM 657 NE2 GLN A 41 5.076 6.972 3.293 1.00 0.00 N ATOM 0 H GLN A 41 0.752 5.457 2.770 1.00 0.00 H new ATOM 0 HA GLN A 41 0.508 7.399 0.527 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.229 6.990 0.938 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.324 8.394 1.469 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.807 7.243 3.630 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.713 5.840 3.099 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.100 6.081 2.797 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.943 7.396 3.622 1.00 0.00 H new ATOM 666 N ILE A 42 1.418 4.310 0.708 1.00 0.00 N ATOM 667 CA ILE A 42 1.717 3.112 -0.037 1.00 0.00 C ATOM 668 C ILE A 42 0.694 2.878 -1.143 1.00 0.00 C ATOM 669 O ILE A 42 -0.468 3.271 -1.037 1.00 0.00 O ATOM 670 CB ILE A 42 1.734 1.939 0.949 1.00 0.00 C ATOM 671 CG1 ILE A 42 3.173 1.502 1.204 1.00 0.00 C ATOM 672 CG2 ILE A 42 0.926 0.757 0.419 1.00 0.00 C ATOM 673 CD1 ILE A 42 3.204 0.600 2.433 1.00 0.00 C ATOM 0 H ILE A 42 1.211 4.150 1.694 1.00 0.00 H new ATOM 0 HA ILE A 42 2.687 3.211 -0.523 1.00 0.00 H new ATOM 0 HB ILE A 42 1.278 2.273 1.881 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.565 0.971 0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.810 2.373 1.359 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.958 -0.059 1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.108 1.064 0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.351 0.421 -0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.229 0.281 2.625 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.827 1.148 3.296 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.579 -0.275 2.258 1.00 0.00 H new ATOM 685 N LYS A 43 1.150 2.215 -2.194 1.00 0.00 N ATOM 686 CA LYS A 43 0.302 1.886 -3.334 1.00 0.00 C ATOM 687 C LYS A 43 0.575 0.450 -3.758 1.00 0.00 C ATOM 688 O LYS A 43 1.713 0.092 -4.058 1.00 0.00 O ATOM 689 CB LYS A 43 0.590 2.837 -4.496 1.00 0.00 C ATOM 690 CG LYS A 43 0.463 4.291 -4.020 1.00 0.00 C ATOM 691 CD LYS A 43 -0.109 5.156 -5.145 1.00 0.00 C ATOM 692 CE LYS A 43 -0.133 6.619 -4.704 1.00 0.00 C ATOM 693 NZ LYS A 43 -0.785 7.446 -5.759 1.00 0.00 N ATOM 0 H LYS A 43 2.113 1.890 -2.283 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.745 1.992 -3.051 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.592 2.658 -4.885 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.107 2.650 -5.313 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.185 4.342 -3.145 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.439 4.671 -3.717 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.496 5.047 -6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.117 4.825 -5.396 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.675 6.717 -3.763 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.882 6.973 -4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.801 8.442 -5.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.250 7.361 -6.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.759 7.113 -5.908 1.00 0.00 H new ATOM 707 N LEU A 44 -0.465 -0.378 -3.760 1.00 0.00 N ATOM 708 CA LEU A 44 -0.302 -1.781 -4.127 1.00 0.00 C ATOM 709 C LEU A 44 -0.625 -2.006 -5.603 1.00 0.00 C ATOM 710 O LEU A 44 -1.783 -1.948 -6.016 1.00 0.00 O ATOM 711 CB LEU A 44 -1.213 -2.655 -3.250 1.00 0.00 C ATOM 712 CG LEU A 44 -0.363 -3.560 -2.347 1.00 0.00 C ATOM 713 CD1 LEU A 44 0.489 -4.502 -3.217 1.00 0.00 C ATOM 714 CD2 LEU A 44 0.544 -2.696 -1.450 1.00 0.00 C ATOM 0 H LEU A 44 -1.417 -0.107 -3.515 1.00 0.00 H new ATOM 0 HA LEU A 44 0.739 -2.060 -3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.859 -2.023 -2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.863 -3.263 -3.879 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.017 -4.158 -1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.092 -5.144 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.165 -5.118 -3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.144 -3.912 -3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.145 -3.342 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.201 -2.089 -2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.072 -2.044 -0.830 1.00 0.00 H new ATOM 726 N ILE A 45 0.420 -2.249 -6.393 1.00 0.00 N ATOM 727 CA ILE A 45 0.272 -2.468 -7.824 1.00 0.00 C ATOM 728 C ILE A 45 0.282 -3.956 -8.145 1.00 0.00 C ATOM 729 O ILE A 45 1.258 -4.654 -7.871 1.00 0.00 O ATOM 730 CB ILE A 45 1.440 -1.812 -8.567 1.00 0.00 C ATOM 731 CG1 ILE A 45 1.471 -0.282 -8.372 1.00 0.00 C ATOM 732 CG2 ILE A 45 1.326 -2.117 -10.062 1.00 0.00 C ATOM 733 CD1 ILE A 45 0.640 0.162 -7.176 1.00 0.00 C ATOM 0 H ILE A 45 1.383 -2.299 -6.060 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.677 -2.033 -8.137 1.00 0.00 H new ATOM 0 HB ILE A 45 2.361 -2.223 -8.155 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.502 0.045 -8.237 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.098 0.205 -9.273 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.156 -1.651 -10.593 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.356 -3.196 -10.217 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.384 -1.722 -10.443 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.692 1.246 -7.079 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.397 -0.140 -7.322 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.029 -0.303 -6.270 1.00 0.00 H new ATOM 745 N TYR A 46 -0.800 -4.426 -8.752 1.00 0.00 N ATOM 746 CA TYR A 46 -0.902 -5.827 -9.142 1.00 0.00 C ATOM 747 C TYR A 46 -0.884 -5.922 -10.658 1.00 0.00 C ATOM 748 O TYR A 46 -1.848 -5.551 -11.327 1.00 0.00 O ATOM 749 CB TYR A 46 -2.196 -6.434 -8.598 1.00 0.00 C ATOM 750 CG TYR A 46 -2.297 -7.888 -9.004 1.00 0.00 C ATOM 751 CD1 TYR A 46 -1.325 -8.805 -8.583 1.00 0.00 C ATOM 752 CD2 TYR A 46 -3.368 -8.321 -9.798 1.00 0.00 C ATOM 753 CE1 TYR A 46 -1.423 -10.152 -8.955 1.00 0.00 C ATOM 754 CE2 TYR A 46 -3.465 -9.668 -10.170 1.00 0.00 C ATOM 755 CZ TYR A 46 -2.493 -10.583 -9.748 1.00 0.00 C ATOM 756 OH TYR A 46 -2.590 -11.910 -10.114 1.00 0.00 O ATOM 0 H TYR A 46 -1.617 -3.861 -8.984 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.059 -6.380 -8.729 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.218 -6.349 -7.512 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.055 -5.881 -8.979 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.499 -8.473 -7.971 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.119 -7.616 -10.123 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.673 -10.858 -8.630 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.290 -10.001 -10.783 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.392 -12.040 -10.663 1.00 0.00 H new ATOM 766 N SER A 47 0.224 -6.410 -11.196 1.00 0.00 N ATOM 767 CA SER A 47 0.365 -6.535 -12.636 1.00 0.00 C ATOM 768 C SER A 47 0.242 -5.171 -13.307 1.00 0.00 C ATOM 769 O SER A 47 -0.282 -5.061 -14.416 1.00 0.00 O ATOM 770 CB SER A 47 -0.702 -7.481 -13.188 1.00 0.00 C ATOM 771 OG SER A 47 -0.308 -7.931 -14.478 1.00 0.00 O ATOM 0 H SER A 47 1.033 -6.724 -10.660 1.00 0.00 H new ATOM 0 HA SER A 47 1.353 -6.943 -12.851 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.833 -8.331 -12.518 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.663 -6.970 -13.246 1.00 0.00 H new ATOM 0 HG SER A 47 -0.119 -7.158 -15.051 1.00 0.00 H new ATOM 777 N GLY A 48 0.730 -4.133 -12.631 1.00 0.00 N ATOM 778 CA GLY A 48 0.666 -2.786 -13.186 1.00 0.00 C ATOM 779 C GLY A 48 -0.718 -2.184 -12.981 1.00 0.00 C ATOM 780 O GLY A 48 -1.174 -1.370 -13.784 1.00 0.00 O ATOM 0 H GLY A 48 1.168 -4.198 -11.712 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.417 -2.155 -12.710 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.902 -2.814 -14.250 1.00 0.00 H new ATOM 784 N LYS A 49 -1.389 -2.596 -11.906 1.00 0.00 N ATOM 785 CA LYS A 49 -2.730 -2.093 -11.618 1.00 0.00 C ATOM 786 C LYS A 49 -2.845 -1.658 -10.163 1.00 0.00 C ATOM 787 O LYS A 49 -2.621 -2.449 -9.248 1.00 0.00 O ATOM 788 CB LYS A 49 -3.764 -3.183 -11.910 1.00 0.00 C ATOM 789 CG LYS A 49 -5.183 -2.593 -11.864 1.00 0.00 C ATOM 790 CD LYS A 49 -5.481 -1.795 -13.143 1.00 0.00 C ATOM 791 CE LYS A 49 -5.345 -2.696 -14.377 1.00 0.00 C ATOM 792 NZ LYS A 49 -6.320 -2.261 -15.417 1.00 0.00 N ATOM 0 H LYS A 49 -1.031 -3.269 -11.228 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.917 -1.228 -12.255 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.575 -3.620 -12.890 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.672 -3.987 -11.180 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.912 -3.395 -11.752 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.285 -1.945 -10.993 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.489 -1.382 -13.095 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.794 -0.952 -13.222 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.330 -2.643 -14.770 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.527 -3.735 -14.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.229 -2.871 -16.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.286 -2.333 -15.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.126 -1.275 -15.684 1.00 0.00 H new ATOM 806 N VAL A 50 -3.200 -0.395 -9.958 1.00 0.00 N ATOM 807 CA VAL A 50 -3.342 0.137 -8.609 1.00 0.00 C ATOM 808 C VAL A 50 -4.496 -0.548 -7.880 1.00 0.00 C ATOM 809 O VAL A 50 -5.647 -0.123 -7.986 1.00 0.00 O ATOM 810 CB VAL A 50 -3.599 1.644 -8.668 1.00 0.00 C ATOM 811 CG1 VAL A 50 -3.509 2.233 -7.260 1.00 0.00 C ATOM 812 CG2 VAL A 50 -2.548 2.304 -9.564 1.00 0.00 C ATOM 0 H VAL A 50 -3.393 0.275 -10.703 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.418 -0.055 -8.064 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.593 1.828 -9.075 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.692 3.307 -7.302 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.256 1.762 -6.620 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.515 2.050 -6.852 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.729 3.378 -9.607 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.554 2.120 -9.155 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.611 1.885 -10.568 1.00 0.00 H new ATOM 822 N LEU A 51 -4.183 -1.608 -7.139 1.00 0.00 N ATOM 823 CA LEU A 51 -5.202 -2.338 -6.399 1.00 0.00 C ATOM 824 C LEU A 51 -6.048 -1.386 -5.568 1.00 0.00 C ATOM 825 O LEU A 51 -5.730 -0.204 -5.434 1.00 0.00 O ATOM 826 CB LEU A 51 -4.553 -3.360 -5.465 1.00 0.00 C ATOM 827 CG LEU A 51 -3.848 -4.453 -6.274 1.00 0.00 C ATOM 828 CD1 LEU A 51 -3.093 -5.390 -5.316 1.00 0.00 C ATOM 829 CD2 LEU A 51 -4.884 -5.253 -7.080 1.00 0.00 C ATOM 0 H LEU A 51 -3.238 -1.977 -7.037 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.836 -2.850 -7.123 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.836 -2.862 -4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.311 -3.807 -4.822 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.140 -3.995 -6.964 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.590 -6.169 -5.890 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.354 -4.818 -4.755 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.799 -5.848 -4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.378 -6.029 -7.654 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.599 -5.714 -6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.411 -4.584 -7.760 1.00 0.00 H new ATOM 841 N GLN A 52 -7.121 -1.921 -5.004 1.00 0.00 N ATOM 842 CA GLN A 52 -8.021 -1.131 -4.170 1.00 0.00 C ATOM 843 C GLN A 52 -7.904 -1.570 -2.712 1.00 0.00 C ATOM 844 O GLN A 52 -7.378 -2.642 -2.415 1.00 0.00 O ATOM 845 CB GLN A 52 -9.470 -1.296 -4.642 1.00 0.00 C ATOM 846 CG GLN A 52 -9.505 -1.481 -6.160 1.00 0.00 C ATOM 847 CD GLN A 52 -8.969 -0.232 -6.852 1.00 0.00 C ATOM 848 OE1 GLN A 52 -7.852 0.205 -6.575 1.00 0.00 O ATOM 849 NE2 GLN A 52 -9.704 0.374 -7.745 1.00 0.00 N ATOM 0 H GLN A 52 -7.391 -2.899 -5.108 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.739 -0.082 -4.254 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.926 -2.156 -4.151 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -10.055 -0.421 -4.360 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.907 -2.348 -6.443 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.526 -1.678 -6.487 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.630 0.012 -7.975 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.353 1.209 -8.213 1.00 0.00 H new ATOM 858 N ASP A 53 -8.390 -0.728 -1.812 1.00 0.00 N ATOM 859 CA ASP A 53 -8.333 -1.025 -0.384 1.00 0.00 C ATOM 860 C ASP A 53 -9.455 -1.972 0.031 1.00 0.00 C ATOM 861 O ASP A 53 -9.441 -2.513 1.137 1.00 0.00 O ATOM 862 CB ASP A 53 -8.463 0.273 0.406 1.00 0.00 C ATOM 863 CG ASP A 53 -7.283 1.191 0.104 1.00 0.00 C ATOM 864 OD1 ASP A 53 -7.139 1.578 -1.044 1.00 0.00 O ATOM 865 OD2 ASP A 53 -6.542 1.493 1.024 1.00 0.00 O ATOM 0 H ASP A 53 -8.827 0.164 -2.042 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.378 -1.507 -0.175 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.397 0.772 0.149 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.501 0.056 1.473 1.00 0.00 H new ATOM 870 N SER A 54 -10.439 -2.144 -0.845 1.00 0.00 N ATOM 871 CA SER A 54 -11.583 -3.004 -0.538 1.00 0.00 C ATOM 872 C SER A 54 -11.525 -4.333 -1.289 1.00 0.00 C ATOM 873 O SER A 54 -12.514 -5.066 -1.325 1.00 0.00 O ATOM 874 CB SER A 54 -12.879 -2.279 -0.900 1.00 0.00 C ATOM 875 OG SER A 54 -12.974 -1.081 -0.141 1.00 0.00 O ATOM 0 H SER A 54 -10.471 -1.705 -1.765 1.00 0.00 H new ATOM 0 HA SER A 54 -11.551 -3.222 0.529 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.896 -2.050 -1.966 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.737 -2.920 -0.698 1.00 0.00 H new ATOM 0 HG SER A 54 -13.803 -0.612 -0.372 1.00 0.00 H new ATOM 881 N LYS A 55 -10.381 -4.653 -1.890 1.00 0.00 N ATOM 882 CA LYS A 55 -10.258 -5.906 -2.626 1.00 0.00 C ATOM 883 C LYS A 55 -9.564 -6.964 -1.781 1.00 0.00 C ATOM 884 O LYS A 55 -8.692 -6.655 -0.969 1.00 0.00 O ATOM 885 CB LYS A 55 -9.458 -5.684 -3.910 1.00 0.00 C ATOM 886 CG LYS A 55 -10.295 -4.870 -4.903 1.00 0.00 C ATOM 887 CD LYS A 55 -11.180 -5.807 -5.733 1.00 0.00 C ATOM 888 CE LYS A 55 -11.898 -5.002 -6.818 1.00 0.00 C ATOM 889 NZ LYS A 55 -10.900 -4.500 -7.804 1.00 0.00 N ATOM 0 H LYS A 55 -9.542 -4.074 -1.882 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.262 -6.252 -2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.529 -5.159 -3.686 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.184 -6.643 -4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.915 -4.152 -4.366 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.640 -4.298 -5.560 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.573 -6.590 -6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.908 -6.301 -5.090 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.638 -5.626 -7.319 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.436 -4.166 -6.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.241 -4.687 -8.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.769 -3.476 -7.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.992 -4.986 -7.658 1.00 0.00 H new ATOM 903 N THR A 56 -9.948 -8.217 -1.988 1.00 0.00 N ATOM 904 CA THR A 56 -9.343 -9.321 -1.255 1.00 0.00 C ATOM 905 C THR A 56 -8.370 -10.059 -2.153 1.00 0.00 C ATOM 906 O THR A 56 -8.547 -10.109 -3.370 1.00 0.00 O ATOM 907 CB THR A 56 -10.411 -10.287 -0.740 1.00 0.00 C ATOM 908 OG1 THR A 56 -11.254 -10.685 -1.812 1.00 0.00 O ATOM 909 CG2 THR A 56 -11.236 -9.605 0.344 1.00 0.00 C ATOM 0 H THR A 56 -10.671 -8.493 -2.653 1.00 0.00 H new ATOM 0 HA THR A 56 -8.809 -8.913 -0.397 1.00 0.00 H new ATOM 0 HB THR A 56 -9.929 -11.170 -0.320 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.907 -9.978 -1.994 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.997 -10.294 0.710 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.584 -9.313 1.168 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.718 -8.719 -0.069 1.00 0.00 H new ATOM 917 N VAL A 57 -7.337 -10.624 -1.550 1.00 0.00 N ATOM 918 CA VAL A 57 -6.334 -11.352 -2.322 1.00 0.00 C ATOM 919 C VAL A 57 -7.025 -12.233 -3.356 1.00 0.00 C ATOM 920 O VAL A 57 -6.538 -12.401 -4.474 1.00 0.00 O ATOM 921 CB VAL A 57 -5.456 -12.205 -1.388 1.00 0.00 C ATOM 922 CG1 VAL A 57 -5.137 -13.560 -2.034 1.00 0.00 C ATOM 923 CG2 VAL A 57 -4.143 -11.464 -1.111 1.00 0.00 C ATOM 0 H VAL A 57 -7.169 -10.596 -0.544 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.691 -10.638 -2.837 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.999 -12.375 -0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.516 -14.148 -1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.065 -14.096 -2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.603 -13.400 -2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.519 -12.065 -0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.617 -11.292 -2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.359 -10.507 -0.636 1.00 0.00 H new ATOM 933 N SER A 58 -8.167 -12.784 -2.971 1.00 0.00 N ATOM 934 CA SER A 58 -8.932 -13.640 -3.864 1.00 0.00 C ATOM 935 C SER A 58 -9.423 -12.836 -5.061 1.00 0.00 C ATOM 936 O SER A 58 -9.474 -13.338 -6.183 1.00 0.00 O ATOM 937 CB SER A 58 -10.125 -14.221 -3.114 1.00 0.00 C ATOM 938 OG SER A 58 -10.669 -15.303 -3.859 1.00 0.00 O ATOM 0 H SER A 58 -8.583 -12.654 -2.049 1.00 0.00 H new ATOM 0 HA SER A 58 -8.294 -14.450 -4.217 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.816 -14.564 -2.127 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.883 -13.452 -2.962 1.00 0.00 H new ATOM 0 HG SER A 58 -11.435 -15.679 -3.378 1.00 0.00 H new ATOM 944 N GLU A 59 -9.774 -11.580 -4.809 1.00 0.00 N ATOM 945 CA GLU A 59 -10.250 -10.702 -5.866 1.00 0.00 C ATOM 946 C GLU A 59 -9.066 -10.136 -6.638 1.00 0.00 C ATOM 947 O GLU A 59 -9.132 -9.955 -7.854 1.00 0.00 O ATOM 948 CB GLU A 59 -11.069 -9.559 -5.266 1.00 0.00 C ATOM 949 CG GLU A 59 -12.429 -10.089 -4.809 1.00 0.00 C ATOM 950 CD GLU A 59 -13.216 -8.982 -4.116 1.00 0.00 C ATOM 951 OE1 GLU A 59 -13.642 -8.067 -4.802 1.00 0.00 O ATOM 952 OE2 GLU A 59 -13.380 -9.065 -2.911 1.00 0.00 O ATOM 0 H GLU A 59 -9.737 -11.150 -3.885 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.882 -11.274 -6.545 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.536 -9.120 -4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.205 -8.768 -6.004 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.989 -10.463 -5.666 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.291 -10.929 -4.128 1.00 0.00 H new ATOM 959 N CYS A 60 -7.980 -9.868 -5.920 1.00 0.00 N ATOM 960 CA CYS A 60 -6.778 -9.332 -6.547 1.00 0.00 C ATOM 961 C CYS A 60 -6.209 -10.341 -7.540 1.00 0.00 C ATOM 962 O CYS A 60 -5.576 -9.967 -8.527 1.00 0.00 O ATOM 963 CB CYS A 60 -5.736 -9.008 -5.477 1.00 0.00 C ATOM 964 SG CYS A 60 -6.573 -8.385 -3.998 1.00 0.00 S ATOM 0 H CYS A 60 -7.908 -10.012 -4.913 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.035 -8.418 -7.083 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.158 -9.900 -5.234 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.032 -8.264 -5.851 1.00 0.00 H new ATOM 0 HG CYS A 60 -7.810 -8.786 -3.998 1.00 0.00 H new ATOM 970 N GLY A 61 -6.452 -11.623 -7.276 1.00 0.00 N ATOM 971 CA GLY A 61 -5.972 -12.681 -8.158 1.00 0.00 C ATOM 972 C GLY A 61 -4.625 -13.228 -7.699 1.00 0.00 C ATOM 973 O GLY A 61 -4.010 -14.038 -8.393 1.00 0.00 O ATOM 0 H GLY A 61 -6.975 -11.951 -6.464 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.702 -13.490 -8.188 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.882 -12.295 -9.174 1.00 0.00 H new ATOM 977 N LEU A 62 -4.165 -12.787 -6.532 1.00 0.00 N ATOM 978 CA LEU A 62 -2.886 -13.252 -6.014 1.00 0.00 C ATOM 979 C LEU A 62 -2.962 -14.716 -5.619 1.00 0.00 C ATOM 980 O LEU A 62 -4.018 -15.219 -5.235 1.00 0.00 O ATOM 981 CB LEU A 62 -2.471 -12.424 -4.797 1.00 0.00 C ATOM 982 CG LEU A 62 -2.079 -11.018 -5.241 1.00 0.00 C ATOM 983 CD1 LEU A 62 -2.232 -10.049 -4.068 1.00 0.00 C ATOM 984 CD2 LEU A 62 -0.623 -11.017 -5.720 1.00 0.00 C ATOM 0 H LEU A 62 -4.652 -12.118 -5.936 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.144 -13.135 -6.804 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.292 -12.374 -4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.634 -12.902 -4.288 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.729 -10.703 -6.058 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.952 -9.045 -4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.269 -10.047 -3.731 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.585 -10.364 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.345 -10.012 -6.037 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.028 -11.334 -4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.516 -11.705 -6.559 1.00 0.00 H new ATOM 996 N LYS A 63 -1.824 -15.387 -5.711 1.00 0.00 N ATOM 997 CA LYS A 63 -1.739 -16.796 -5.356 1.00 0.00 C ATOM 998 C LYS A 63 -0.615 -17.019 -4.348 1.00 0.00 C ATOM 999 O LYS A 63 -0.194 -16.087 -3.662 1.00 0.00 O ATOM 1000 CB LYS A 63 -1.522 -17.642 -6.617 1.00 0.00 C ATOM 1001 CG LYS A 63 -0.289 -17.151 -7.381 1.00 0.00 C ATOM 1002 CD LYS A 63 0.982 -17.700 -6.729 1.00 0.00 C ATOM 1003 CE LYS A 63 2.123 -17.704 -7.748 1.00 0.00 C ATOM 1004 NZ LYS A 63 1.897 -18.789 -8.745 1.00 0.00 N ATOM 0 H LYS A 63 -0.945 -14.978 -6.029 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.676 -17.105 -4.892 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.395 -18.689 -6.343 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.402 -17.584 -7.258 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.343 -17.473 -8.421 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.264 -16.061 -7.386 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.253 -17.090 -5.867 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.806 -18.711 -6.361 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.178 -16.739 -8.252 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.076 -17.854 -7.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.806 -19.067 -9.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.469 -19.611 -8.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.258 -18.447 -9.491 1.00 0.00 H new ATOM 1018 N ASP A 64 -0.142 -18.255 -4.247 1.00 0.00 N ATOM 1019 CA ASP A 64 0.921 -18.585 -3.303 1.00 0.00 C ATOM 1020 C ASP A 64 2.299 -18.304 -3.890 1.00 0.00 C ATOM 1021 O ASP A 64 2.648 -18.801 -4.960 1.00 0.00 O ATOM 1022 CB ASP A 64 0.826 -20.059 -2.910 1.00 0.00 C ATOM 1023 CG ASP A 64 0.683 -20.924 -4.157 1.00 0.00 C ATOM 1024 OD1 ASP A 64 -0.131 -20.585 -5.000 1.00 0.00 O ATOM 1025 OD2 ASP A 64 1.390 -21.914 -4.252 1.00 0.00 O ATOM 0 H ASP A 64 -0.475 -19.042 -4.803 1.00 0.00 H new ATOM 0 HA ASP A 64 0.792 -17.956 -2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.716 -20.353 -2.354 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.028 -20.214 -2.251 1.00 0.00 H new ATOM 1030 N GLY A 65 3.087 -17.522 -3.160 1.00 0.00 N ATOM 1031 CA GLY A 65 4.446 -17.197 -3.592 1.00 0.00 C ATOM 1032 C GLY A 65 4.481 -16.153 -4.713 1.00 0.00 C ATOM 1033 O GLY A 65 5.549 -15.862 -5.251 1.00 0.00 O ATOM 0 H GLY A 65 2.813 -17.103 -2.272 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.014 -16.826 -2.739 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.941 -18.106 -3.933 1.00 0.00 H new ATOM 1037 N ASP A 66 3.328 -15.594 -5.074 1.00 0.00 N ATOM 1038 CA ASP A 66 3.293 -14.595 -6.143 1.00 0.00 C ATOM 1039 C ASP A 66 4.100 -13.356 -5.754 1.00 0.00 C ATOM 1040 O ASP A 66 4.798 -13.345 -4.737 1.00 0.00 O ATOM 1041 CB ASP A 66 1.841 -14.186 -6.455 1.00 0.00 C ATOM 1042 CG ASP A 66 1.581 -14.207 -7.962 1.00 0.00 C ATOM 1043 OD1 ASP A 66 2.536 -14.323 -8.712 1.00 0.00 O ATOM 1044 OD2 ASP A 66 0.427 -14.099 -8.344 1.00 0.00 O ATOM 0 H ASP A 66 2.424 -15.808 -4.654 1.00 0.00 H new ATOM 0 HA ASP A 66 3.737 -15.042 -7.032 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.152 -14.865 -5.953 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.648 -13.188 -6.062 1.00 0.00 H new ATOM 1049 N GLN A 67 3.986 -12.310 -6.566 1.00 0.00 N ATOM 1050 CA GLN A 67 4.692 -11.058 -6.308 1.00 0.00 C ATOM 1051 C GLN A 67 3.764 -9.880 -6.567 1.00 0.00 C ATOM 1052 O GLN A 67 3.003 -9.885 -7.536 1.00 0.00 O ATOM 1053 CB GLN A 67 5.922 -10.951 -7.211 1.00 0.00 C ATOM 1054 CG GLN A 67 6.724 -12.251 -7.145 1.00 0.00 C ATOM 1055 CD GLN A 67 7.999 -12.119 -7.970 1.00 0.00 C ATOM 1056 OE1 GLN A 67 8.556 -11.026 -8.082 1.00 0.00 O ATOM 1057 NE2 GLN A 67 8.497 -13.172 -8.558 1.00 0.00 N ATOM 0 H GLN A 67 3.411 -12.304 -7.409 1.00 0.00 H new ATOM 0 HA GLN A 67 5.013 -11.043 -5.267 1.00 0.00 H new ATOM 0 HB2 GLN A 67 5.615 -10.753 -8.238 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.544 -10.112 -6.897 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.973 -12.482 -6.109 1.00 0.00 H new ATOM 0 HG3 GLN A 67 6.122 -13.079 -7.520 1.00 0.00 H new ATOM 0 HE21 GLN A 67 8.034 -14.076 -8.464 1.00 0.00 H new ATOM 0 HE22 GLN A 67 9.350 -13.091 -9.112 1.00 0.00 H new ATOM 1066 N VAL A 68 3.814 -8.877 -5.695 1.00 0.00 N ATOM 1067 CA VAL A 68 2.957 -7.709 -5.844 1.00 0.00 C ATOM 1068 C VAL A 68 3.795 -6.438 -5.935 1.00 0.00 C ATOM 1069 O VAL A 68 4.511 -6.087 -5.001 1.00 0.00 O ATOM 1070 CB VAL A 68 2.002 -7.618 -4.644 1.00 0.00 C ATOM 1071 CG1 VAL A 68 0.601 -7.218 -5.116 1.00 0.00 C ATOM 1072 CG2 VAL A 68 1.928 -8.978 -3.944 1.00 0.00 C ATOM 0 H VAL A 68 4.434 -8.850 -4.885 1.00 0.00 H new ATOM 0 HA VAL A 68 2.381 -7.810 -6.764 1.00 0.00 H new ATOM 0 HB VAL A 68 2.377 -6.865 -3.950 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.068 -7.156 -4.258 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.647 -6.248 -5.611 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.226 -7.965 -5.816 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.250 -8.913 -3.093 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.560 -9.728 -4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.921 -9.263 -3.596 1.00 0.00 H new ATOM 1082 N VAL A 69 3.689 -5.744 -7.058 1.00 0.00 N ATOM 1083 CA VAL A 69 4.431 -4.511 -7.239 1.00 0.00 C ATOM 1084 C VAL A 69 3.822 -3.433 -6.361 1.00 0.00 C ATOM 1085 O VAL A 69 2.608 -3.382 -6.191 1.00 0.00 O ATOM 1086 CB VAL A 69 4.388 -4.080 -8.706 1.00 0.00 C ATOM 1087 CG1 VAL A 69 5.172 -2.778 -8.880 1.00 0.00 C ATOM 1088 CG2 VAL A 69 5.018 -5.173 -9.573 1.00 0.00 C ATOM 0 H VAL A 69 3.102 -6.012 -7.848 1.00 0.00 H new ATOM 0 HA VAL A 69 5.472 -4.668 -6.956 1.00 0.00 H new ATOM 0 HB VAL A 69 3.353 -3.923 -9.009 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.141 -2.472 -9.926 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.727 -2.000 -8.260 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.208 -2.934 -8.578 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.989 -4.869 -10.619 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.053 -5.327 -9.268 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.461 -6.102 -9.449 1.00 0.00 H new ATOM 1098 N PHE A 70 4.665 -2.587 -5.792 1.00 0.00 N ATOM 1099 CA PHE A 70 4.177 -1.522 -4.920 1.00 0.00 C ATOM 1100 C PHE A 70 5.157 -0.354 -4.869 1.00 0.00 C ATOM 1101 O PHE A 70 6.277 -0.446 -5.371 1.00 0.00 O ATOM 1102 CB PHE A 70 3.947 -2.073 -3.507 1.00 0.00 C ATOM 1103 CG PHE A 70 5.219 -1.965 -2.696 1.00 0.00 C ATOM 1104 CD1 PHE A 70 6.257 -2.887 -2.889 1.00 0.00 C ATOM 1105 CD2 PHE A 70 5.361 -0.939 -1.754 1.00 0.00 C ATOM 1106 CE1 PHE A 70 7.433 -2.782 -2.140 1.00 0.00 C ATOM 1107 CE2 PHE A 70 6.538 -0.835 -1.005 1.00 0.00 C ATOM 1108 CZ PHE A 70 7.574 -1.756 -1.197 1.00 0.00 C ATOM 0 H PHE A 70 5.677 -2.612 -5.913 1.00 0.00 H new ATOM 0 HA PHE A 70 3.235 -1.154 -5.327 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.146 -1.519 -3.018 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.628 -3.114 -3.561 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.148 -3.678 -3.616 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.562 -0.228 -1.606 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.233 -3.492 -2.289 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.647 -0.044 -0.278 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.482 -1.676 -0.618 1.00 0.00 H new ATOM 1118 N MET A 71 4.722 0.741 -4.252 1.00 0.00 N ATOM 1119 CA MET A 71 5.561 1.930 -4.128 1.00 0.00 C ATOM 1120 C MET A 71 5.115 2.767 -2.930 1.00 0.00 C ATOM 1121 O MET A 71 3.938 2.771 -2.567 1.00 0.00 O ATOM 1122 CB MET A 71 5.471 2.770 -5.412 1.00 0.00 C ATOM 1123 CG MET A 71 6.739 2.582 -6.251 1.00 0.00 C ATOM 1124 SD MET A 71 8.154 3.295 -5.375 1.00 0.00 S ATOM 1125 CE MET A 71 8.009 4.973 -6.034 1.00 0.00 C ATOM 0 H MET A 71 3.797 0.830 -3.831 1.00 0.00 H new ATOM 0 HA MET A 71 6.594 1.617 -3.976 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.596 2.474 -5.990 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.345 3.823 -5.160 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.910 1.522 -6.438 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.620 3.062 -7.222 1.00 0.00 H new ATOM 0 HE1 MET A 71 8.800 5.597 -5.618 1.00 0.00 H new ATOM 0 HE2 MET A 71 8.101 4.947 -7.120 1.00 0.00 H new ATOM 0 HE3 MET A 71 7.038 5.388 -5.762 1.00 0.00 H new ATOM 1135 N VAL A 72 6.061 3.478 -2.320 1.00 0.00 N ATOM 1136 CA VAL A 72 5.754 4.319 -1.166 1.00 0.00 C ATOM 1137 C VAL A 72 5.673 5.783 -1.584 1.00 0.00 C ATOM 1138 O VAL A 72 6.439 6.238 -2.433 1.00 0.00 O ATOM 1139 CB VAL A 72 6.833 4.154 -0.094 1.00 0.00 C ATOM 1140 CG1 VAL A 72 6.376 4.835 1.198 1.00 0.00 C ATOM 1141 CG2 VAL A 72 7.063 2.664 0.170 1.00 0.00 C ATOM 0 H VAL A 72 7.041 3.489 -2.604 1.00 0.00 H new ATOM 0 HA VAL A 72 4.791 4.010 -0.760 1.00 0.00 H new ATOM 0 HB VAL A 72 7.761 4.611 -0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.144 4.718 1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.209 5.896 1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.449 4.377 1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.832 2.544 0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.135 2.208 0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.387 2.177 -0.750 1.00 0.00 H new ATOM 1151 N SER A 73 4.739 6.516 -0.984 1.00 0.00 N ATOM 1152 CA SER A 73 4.565 7.932 -1.306 1.00 0.00 C ATOM 1153 C SER A 73 4.936 8.805 -0.110 1.00 0.00 C ATOM 1154 O SER A 73 5.136 8.307 0.997 1.00 0.00 O ATOM 1155 CB SER A 73 3.116 8.202 -1.713 1.00 0.00 C ATOM 1156 OG SER A 73 3.061 9.390 -2.492 1.00 0.00 O ATOM 0 H SER A 73 4.095 6.158 -0.278 1.00 0.00 H new ATOM 0 HA SER A 73 5.225 8.180 -2.137 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.724 7.360 -2.284 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.490 8.305 -0.827 1.00 0.00 H new ATOM 0 HG SER A 73 2.134 9.565 -2.756 1.00 0.00 H new ATOM 1162 N GLN A 74 5.031 10.110 -0.344 1.00 0.00 N ATOM 1163 CA GLN A 74 5.382 11.045 0.718 1.00 0.00 C ATOM 1164 C GLN A 74 4.246 11.162 1.729 1.00 0.00 C ATOM 1165 O GLN A 74 3.107 10.789 1.445 1.00 0.00 O ATOM 1166 CB GLN A 74 5.683 12.421 0.124 1.00 0.00 C ATOM 1167 CG GLN A 74 6.856 12.310 -0.852 1.00 0.00 C ATOM 1168 CD GLN A 74 6.397 11.647 -2.146 1.00 0.00 C ATOM 1169 OE1 GLN A 74 5.570 12.202 -2.869 1.00 0.00 O ATOM 1170 NE2 GLN A 74 6.887 10.485 -2.482 1.00 0.00 N ATOM 0 H GLN A 74 4.871 10.542 -1.254 1.00 0.00 H new ATOM 0 HA GLN A 74 6.268 10.668 1.228 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.803 12.807 -0.391 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.923 13.127 0.919 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.258 13.301 -1.064 1.00 0.00 H new ATOM 0 HG3 GLN A 74 7.661 11.729 -0.402 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.572 10.027 -1.881 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.585 10.034 -3.346 1.00 0.00 H new ATOM 1179 N LYS A 75 4.565 11.681 2.910 1.00 0.00 N ATOM 1180 CA LYS A 75 3.566 11.843 3.960 1.00 0.00 C ATOM 1181 C LYS A 75 2.447 12.771 3.500 1.00 0.00 C ATOM 1182 O LYS A 75 1.373 12.317 3.103 1.00 0.00 O ATOM 1183 CB LYS A 75 4.224 12.416 5.216 1.00 0.00 C ATOM 1184 CG LYS A 75 5.203 11.388 5.793 1.00 0.00 C ATOM 1185 CD LYS A 75 6.369 12.110 6.470 1.00 0.00 C ATOM 1186 CE LYS A 75 7.200 11.099 7.256 1.00 0.00 C ATOM 1187 NZ LYS A 75 8.393 11.778 7.836 1.00 0.00 N ATOM 0 H LYS A 75 5.502 11.995 3.163 1.00 0.00 H new ATOM 0 HA LYS A 75 3.139 10.866 4.185 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.750 13.340 4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.464 12.666 5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.692 10.748 6.512 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.575 10.740 4.999 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.989 12.605 5.722 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.993 12.886 7.137 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.598 10.657 8.050 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.514 10.285 6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.959 11.089 8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.971 12.179 7.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.083 12.540 8.472 1.00 0.00 H new ATOM 1201 N LYS A 76 2.704 14.074 3.557 1.00 0.00 N ATOM 1202 CA LYS A 76 1.710 15.058 3.145 1.00 0.00 C ATOM 1203 C LYS A 76 1.649 15.156 1.624 1.00 0.00 C ATOM 1204 O LYS A 76 2.661 14.991 0.940 1.00 0.00 O ATOM 1205 CB LYS A 76 2.056 16.427 3.733 1.00 0.00 C ATOM 1206 CG LYS A 76 3.362 16.934 3.118 1.00 0.00 C ATOM 1207 CD LYS A 76 3.860 18.149 3.902 1.00 0.00 C ATOM 1208 CE LYS A 76 4.915 18.893 3.079 1.00 0.00 C ATOM 1209 NZ LYS A 76 5.887 17.914 2.517 1.00 0.00 N ATOM 0 H LYS A 76 3.586 14.471 3.882 1.00 0.00 H new ATOM 0 HA LYS A 76 0.736 14.739 3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.250 17.134 3.534 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.156 16.354 4.816 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.114 16.145 3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.204 17.202 2.073 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.027 18.814 4.130 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.284 17.831 4.854 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.437 19.450 2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.434 19.619 3.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.765 18.407 2.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.096 17.185 3.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.479 17.466 1.672 1.00 0.00 H new ATOM 1223 N SER A 77 0.458 15.427 1.100 1.00 0.00 N ATOM 1224 CA SER A 77 0.276 15.545 -0.342 1.00 0.00 C ATOM 1225 C SER A 77 0.984 16.789 -0.869 1.00 0.00 C ATOM 1226 O SER A 77 1.883 17.326 -0.222 1.00 0.00 O ATOM 1227 CB SER A 77 -1.213 15.624 -0.675 1.00 0.00 C ATOM 1228 OG SER A 77 -1.719 16.889 -0.272 1.00 0.00 O ATOM 0 H SER A 77 -0.390 15.568 1.648 1.00 0.00 H new ATOM 0 HA SER A 77 0.708 14.665 -0.818 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.366 15.483 -1.745 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.754 14.825 -0.168 1.00 0.00 H new ATOM 0 HG SER A 77 -2.674 16.943 -0.486 1.00 0.00 H new ATOM 1234 N THR A 78 0.570 17.243 -2.048 1.00 0.00 N ATOM 1235 CA THR A 78 1.171 18.426 -2.654 1.00 0.00 C ATOM 1236 C THR A 78 2.690 18.294 -2.697 1.00 0.00 C ATOM 1237 O THR A 78 3.351 19.048 -2.002 1.00 0.00 O ATOM 1238 CB THR A 78 0.786 19.673 -1.856 1.00 0.00 C ATOM 1239 OG1 THR A 78 -0.598 19.621 -1.537 1.00 0.00 O ATOM 1240 CG2 THR A 78 1.073 20.925 -2.688 1.00 0.00 C ATOM 0 H THR A 78 -0.173 16.814 -2.599 1.00 0.00 H new ATOM 0 HA THR A 78 0.798 18.518 -3.674 1.00 0.00 H new ATOM 0 HB THR A 78 1.370 19.710 -0.937 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.846 20.419 -1.024 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.798 21.812 -2.117 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.135 20.965 -2.931 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.491 20.891 -3.609 1.00 0.00 H new TER 1248 THR A 78