USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 523 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 35 ASN : amide:sc= 0 X(o=-0.93,f=-0.94) USER MOD Set 1.2: A 39 LYS NZ :NH3+ -127:sc= -0.931 (180deg=-1.73!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= -0.214 (180deg=-0.827) USER MOD Single : A 5 SER OG : rot 150:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -173:sc=-0.00338 (180deg=-0.0475) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0685 USER MOD Single : A 26 ASN : amide:sc= -6.81! C(o=-6.8!,f=-14!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0446 USER MOD Single : A 54 THR OG1 : rot 68:sc= 0.414 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl -168:sc=-0.000944 (180deg=-0.359) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 65 GLN : amide:sc= -1.35 K(o=-1.3,f=-14!) USER MOD Single : A 70 SER OG : rot 180:sc= -0.201 USER MOD Single : A 76 LYS NZ :NH3+ -148:sc= -0.224 (180deg=-1.2) USER MOD Single : A 79 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.17) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.448 5.485 1.994 1.00 0.00 N ATOM 2 CA MET A 1 -15.091 5.660 0.696 1.00 0.00 C ATOM 3 C MET A 1 -14.051 5.776 -0.414 1.00 0.00 C ATOM 4 O MET A 1 -13.380 6.799 -0.545 1.00 0.00 O ATOM 5 CB MET A 1 -15.982 6.903 0.708 1.00 0.00 C ATOM 6 CG MET A 1 -15.268 8.158 1.186 1.00 0.00 C ATOM 7 SD MET A 1 -16.409 9.494 1.589 1.00 0.00 S ATOM 8 CE MET A 1 -16.099 10.625 0.235 1.00 0.00 C ATOM 0 H1 MET A 1 -15.030 5.929 2.733 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.346 4.470 2.197 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.509 5.931 1.979 1.00 0.00 H new ATOM 0 HA MET A 1 -15.707 4.782 0.502 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.366 7.074 -0.297 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.842 6.717 1.351 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.670 7.919 2.065 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.578 8.496 0.413 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.733 11.505 0.344 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.052 10.928 0.246 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.323 10.131 -0.710 1.00 0.00 H new ATOM 16 N ALA A 2 -13.925 4.720 -1.213 1.00 0.00 N ATOM 17 CA ALA A 2 -12.968 4.704 -2.312 1.00 0.00 C ATOM 18 C ALA A 2 -13.072 3.410 -3.111 1.00 0.00 C ATOM 19 O ALA A 2 -13.749 2.467 -2.700 1.00 0.00 O ATOM 20 CB ALA A 2 -11.553 4.888 -1.784 1.00 0.00 C ATOM 0 H ALA A 2 -14.474 3.865 -1.119 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.205 5.533 -2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.849 4.874 -2.616 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.480 5.843 -1.263 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.314 4.079 -1.093 1.00 0.00 H new ATOM 26 N ARG A 3 -12.398 3.372 -4.257 1.00 0.00 N ATOM 27 CA ARG A 3 -12.418 2.193 -5.115 1.00 0.00 C ATOM 28 C ARG A 3 -11.545 1.083 -4.533 1.00 0.00 C ATOM 29 O ARG A 3 -11.056 1.189 -3.410 1.00 0.00 O ATOM 30 CB ARG A 3 -11.934 2.552 -6.521 1.00 0.00 C ATOM 31 CG ARG A 3 -12.721 3.680 -7.166 1.00 0.00 C ATOM 32 CD ARG A 3 -11.879 4.441 -8.179 1.00 0.00 C ATOM 33 NE ARG A 3 -12.616 5.545 -8.785 1.00 0.00 N ATOM 34 CZ ARG A 3 -13.565 5.380 -9.700 1.00 0.00 C ATOM 35 NH1 ARG A 3 -13.891 4.161 -10.109 1.00 0.00 N ATOM 36 NH2 ARG A 3 -14.192 6.434 -10.205 1.00 0.00 N ATOM 0 H ARG A 3 -11.832 4.143 -4.612 1.00 0.00 H new ATOM 0 HA ARG A 3 -13.445 1.833 -5.172 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -10.883 2.835 -6.473 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -11.997 1.667 -7.155 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -13.604 3.273 -7.658 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -13.073 4.366 -6.396 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -10.985 4.828 -7.690 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -11.545 3.757 -8.959 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.390 6.495 -8.490 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -13.413 3.348 -9.721 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.620 4.037 -10.812 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.946 7.373 -9.891 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.920 6.306 -10.907 1.00 0.00 H new ATOM 47 N GLY A 4 -11.358 0.019 -5.308 1.00 0.00 N ATOM 48 CA GLY A 4 -10.546 -1.095 -4.853 1.00 0.00 C ATOM 49 C GLY A 4 -10.276 -2.102 -5.952 1.00 0.00 C ATOM 50 O GLY A 4 -10.782 -1.967 -7.066 1.00 0.00 O ATOM 0 H GLY A 4 -11.754 -0.092 -6.242 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.598 -0.717 -4.470 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.049 -1.593 -4.024 1.00 0.00 H new ATOM 54 N SER A 5 -9.475 -3.117 -5.641 1.00 0.00 N ATOM 55 CA SER A 5 -9.133 -4.148 -6.613 1.00 0.00 C ATOM 56 C SER A 5 -9.046 -5.517 -5.944 1.00 0.00 C ATOM 57 O SER A 5 -9.610 -6.496 -6.432 1.00 0.00 O ATOM 58 CB SER A 5 -7.806 -3.816 -7.296 1.00 0.00 C ATOM 59 OG SER A 5 -7.989 -3.586 -8.682 1.00 0.00 O ATOM 0 H SER A 5 -9.051 -3.247 -4.722 1.00 0.00 H new ATOM 0 HA SER A 5 -9.921 -4.179 -7.365 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.366 -2.933 -6.833 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.103 -4.636 -7.150 1.00 0.00 H new ATOM 0 HG SER A 5 -7.317 -2.947 -8.999 1.00 0.00 H new ATOM 64 N VAL A 6 -8.333 -5.576 -4.823 1.00 0.00 N ATOM 65 CA VAL A 6 -8.171 -6.823 -4.085 1.00 0.00 C ATOM 66 C VAL A 6 -9.522 -7.464 -3.786 1.00 0.00 C ATOM 67 O VAL A 6 -10.507 -6.771 -3.534 1.00 0.00 O ATOM 68 CB VAL A 6 -7.417 -6.598 -2.761 1.00 0.00 C ATOM 69 CG1 VAL A 6 -5.932 -6.395 -3.020 1.00 0.00 C ATOM 70 CG2 VAL A 6 -8.003 -5.412 -2.010 1.00 0.00 C ATOM 0 H VAL A 6 -7.859 -4.775 -4.407 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.587 -7.492 -4.717 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.535 -7.486 -2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.416 -6.238 -2.073 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.525 -7.278 -3.513 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.790 -5.524 -3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.459 -5.267 -1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.917 -4.515 -2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.054 -5.603 -1.791 1.00 0.00 H new ATOM 80 N SER A 7 -9.559 -8.792 -3.814 1.00 0.00 N ATOM 81 CA SER A 7 -10.791 -9.528 -3.550 1.00 0.00 C ATOM 82 C SER A 7 -11.314 -9.224 -2.148 1.00 0.00 C ATOM 83 O SER A 7 -10.691 -8.483 -1.389 1.00 0.00 O ATOM 84 CB SER A 7 -10.554 -11.032 -3.703 1.00 0.00 C ATOM 85 OG SER A 7 -11.516 -11.613 -4.567 1.00 0.00 O ATOM 0 H SER A 7 -8.751 -9.381 -4.017 1.00 0.00 H new ATOM 0 HA SER A 7 -11.539 -9.210 -4.276 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.553 -11.208 -4.097 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.601 -11.512 -2.726 1.00 0.00 H new ATOM 0 HG SER A 7 -11.343 -12.574 -4.650 1.00 0.00 H new ATOM 90 N ASP A 8 -12.461 -9.803 -1.814 1.00 0.00 N ATOM 91 CA ASP A 8 -13.070 -9.597 -0.506 1.00 0.00 C ATOM 92 C ASP A 8 -12.136 -10.066 0.607 1.00 0.00 C ATOM 93 O ASP A 8 -11.893 -9.341 1.571 1.00 0.00 O ATOM 94 CB ASP A 8 -14.403 -10.340 -0.416 1.00 0.00 C ATOM 95 CG ASP A 8 -15.592 -9.419 -0.610 1.00 0.00 C ATOM 96 OD1 ASP A 8 -16.152 -9.399 -1.726 1.00 0.00 O ATOM 97 OD2 ASP A 8 -15.965 -8.720 0.355 1.00 0.00 O ATOM 0 H ASP A 8 -12.989 -10.420 -2.432 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.250 -8.529 -0.381 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.429 -11.127 -1.170 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.479 -10.828 0.556 1.00 0.00 H new ATOM 101 N GLU A 9 -11.619 -11.282 0.465 1.00 0.00 N ATOM 102 CA GLU A 9 -10.714 -11.848 1.459 1.00 0.00 C ATOM 103 C GLU A 9 -9.569 -10.887 1.761 1.00 0.00 C ATOM 104 O GLU A 9 -9.393 -10.452 2.899 1.00 0.00 O ATOM 105 CB GLU A 9 -10.157 -13.186 0.971 1.00 0.00 C ATOM 106 CG GLU A 9 -11.055 -14.370 1.285 1.00 0.00 C ATOM 107 CD GLU A 9 -10.367 -15.702 1.056 1.00 0.00 C ATOM 108 OE1 GLU A 9 -10.215 -16.097 -0.119 1.00 0.00 O ATOM 109 OE2 GLU A 9 -9.981 -16.349 2.052 1.00 0.00 O ATOM 0 H GLU A 9 -11.811 -11.894 -0.328 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.279 -12.012 2.376 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.002 -13.134 -0.107 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.180 -13.351 1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.382 -14.308 2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.950 -14.317 0.665 1.00 0.00 H new ATOM 114 N GLU A 10 -8.791 -10.559 0.733 1.00 0.00 N ATOM 115 CA GLU A 10 -7.662 -9.651 0.889 1.00 0.00 C ATOM 116 C GLU A 10 -8.128 -8.282 1.373 1.00 0.00 C ATOM 117 O GLU A 10 -7.738 -7.825 2.448 1.00 0.00 O ATOM 118 CB GLU A 10 -6.909 -9.507 -0.435 1.00 0.00 C ATOM 119 CG GLU A 10 -5.612 -10.298 -0.488 1.00 0.00 C ATOM 120 CD GLU A 10 -5.806 -11.759 -0.130 1.00 0.00 C ATOM 121 OE1 GLU A 10 -6.889 -12.304 -0.431 1.00 0.00 O ATOM 122 OE2 GLU A 10 -4.877 -12.357 0.451 1.00 0.00 O ATOM 0 H GLU A 10 -8.923 -10.909 -0.216 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.990 -10.072 1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.557 -9.833 -1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.689 -8.453 -0.605 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.187 -10.226 -1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.891 -9.852 0.197 1.00 0.00 H new ATOM 127 N MET A 11 -8.963 -7.629 0.572 1.00 0.00 N ATOM 128 CA MET A 11 -9.483 -6.312 0.918 1.00 0.00 C ATOM 129 C MET A 11 -9.764 -6.214 2.414 1.00 0.00 C ATOM 130 O MET A 11 -9.464 -5.203 3.048 1.00 0.00 O ATOM 131 CB MET A 11 -10.759 -6.018 0.128 1.00 0.00 C ATOM 132 CG MET A 11 -11.222 -4.575 0.233 1.00 0.00 C ATOM 133 SD MET A 11 -9.905 -3.396 -0.121 1.00 0.00 S ATOM 134 CE MET A 11 -10.729 -2.306 -1.281 1.00 0.00 C ATOM 0 H MET A 11 -9.294 -7.991 -0.322 1.00 0.00 H new ATOM 0 HA MET A 11 -8.726 -5.572 0.659 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.591 -6.261 -0.921 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.555 -6.673 0.483 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.047 -4.411 -0.460 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.607 -4.393 1.236 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.009 -1.597 -1.688 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.157 -2.895 -2.092 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.523 -1.763 -0.769 1.00 0.00 H new ATOM 142 N MET A 12 -10.343 -7.272 2.973 1.00 0.00 N ATOM 143 CA MET A 12 -10.664 -7.306 4.395 1.00 0.00 C ATOM 144 C MET A 12 -9.393 -7.346 5.239 1.00 0.00 C ATOM 145 O MET A 12 -9.244 -6.577 6.187 1.00 0.00 O ATOM 146 CB MET A 12 -11.539 -8.519 4.714 1.00 0.00 C ATOM 147 CG MET A 12 -11.781 -8.721 6.201 1.00 0.00 C ATOM 148 SD MET A 12 -13.330 -9.577 6.544 1.00 0.00 S ATOM 149 CE MET A 12 -12.740 -11.241 6.839 1.00 0.00 C ATOM 0 H MET A 12 -10.599 -8.117 2.463 1.00 0.00 H new ATOM 0 HA MET A 12 -11.213 -6.397 4.639 1.00 0.00 H new ATOM 0 HB2 MET A 12 -12.499 -8.406 4.210 1.00 0.00 H new ATOM 0 HB3 MET A 12 -11.068 -9.413 4.306 1.00 0.00 H new ATOM 0 HG2 MET A 12 -10.954 -9.291 6.625 1.00 0.00 H new ATOM 0 HG3 MET A 12 -11.789 -7.751 6.699 1.00 0.00 H new ATOM 0 HE1 MET A 12 -13.585 -11.892 7.065 1.00 0.00 H new ATOM 0 HE2 MET A 12 -12.227 -11.608 5.950 1.00 0.00 H new ATOM 0 HE3 MET A 12 -12.048 -11.238 7.682 1.00 0.00 H new ATOM 157 N GLU A 13 -8.482 -8.248 4.885 1.00 0.00 N ATOM 158 CA GLU A 13 -7.225 -8.387 5.612 1.00 0.00 C ATOM 159 C GLU A 13 -6.347 -7.153 5.421 1.00 0.00 C ATOM 160 O GLU A 13 -5.979 -6.485 6.387 1.00 0.00 O ATOM 161 CB GLU A 13 -6.477 -9.636 5.144 1.00 0.00 C ATOM 162 CG GLU A 13 -6.762 -10.868 5.988 1.00 0.00 C ATOM 163 CD GLU A 13 -8.159 -11.417 5.765 1.00 0.00 C ATOM 164 OE1 GLU A 13 -9.078 -11.015 6.508 1.00 0.00 O ATOM 165 OE2 GLU A 13 -8.331 -12.247 4.848 1.00 0.00 O ATOM 0 H GLU A 13 -8.591 -8.892 4.101 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.456 -8.486 6.673 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.747 -9.845 4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.406 -9.435 5.160 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.030 -11.641 5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.637 -10.619 7.042 1.00 0.00 H new ATOM 170 N LEU A 14 -6.015 -6.860 4.169 1.00 0.00 N ATOM 171 CA LEU A 14 -5.179 -5.707 3.850 1.00 0.00 C ATOM 172 C LEU A 14 -5.671 -4.459 4.576 1.00 0.00 C ATOM 173 O LEU A 14 -4.887 -3.735 5.189 1.00 0.00 O ATOM 174 CB LEU A 14 -5.169 -5.462 2.340 1.00 0.00 C ATOM 175 CG LEU A 14 -5.134 -6.710 1.457 1.00 0.00 C ATOM 176 CD1 LEU A 14 -4.907 -6.330 0.003 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.054 -7.671 1.934 1.00 0.00 C ATOM 0 H LEU A 14 -6.311 -7.404 3.358 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.164 -5.922 4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.055 -4.883 2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.303 -4.846 2.098 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.099 -7.212 1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.885 -7.231 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.716 -5.682 -0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.957 -5.804 -0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.044 -8.553 1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.083 -7.178 1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.261 -7.970 2.961 1.00 0.00 H new ATOM 188 N ARG A 15 -6.976 -4.216 4.504 1.00 0.00 N ATOM 189 CA ARG A 15 -7.574 -3.056 5.155 1.00 0.00 C ATOM 190 C ARG A 15 -7.340 -3.099 6.662 1.00 0.00 C ATOM 191 O ARG A 15 -6.941 -2.103 7.266 1.00 0.00 O ATOM 192 CB ARG A 15 -9.074 -2.997 4.862 1.00 0.00 C ATOM 193 CG ARG A 15 -9.827 -2.014 5.742 1.00 0.00 C ATOM 194 CD ARG A 15 -10.911 -2.708 6.554 1.00 0.00 C ATOM 195 NE ARG A 15 -10.730 -2.510 7.989 1.00 0.00 N ATOM 196 CZ ARG A 15 -10.936 -1.350 8.603 1.00 0.00 C ATOM 197 NH1 ARG A 15 -11.327 -0.289 7.909 1.00 0.00 N ATOM 198 NH2 ARG A 15 -10.751 -1.248 9.912 1.00 0.00 N ATOM 0 H ARG A 15 -7.639 -4.806 4.002 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.098 -2.160 4.756 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.221 -2.723 3.817 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.501 -3.991 4.994 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.128 -1.518 6.415 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.276 -1.239 5.121 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.888 -2.327 6.256 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.904 -3.775 6.331 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.429 -3.306 8.551 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.470 -0.363 6.902 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.485 0.601 8.383 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.450 -2.061 10.449 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.910 -0.357 10.382 1.00 0.00 H new ATOM 209 N GLU A 16 -7.591 -4.258 7.262 1.00 0.00 N ATOM 210 CA GLU A 16 -7.409 -4.428 8.700 1.00 0.00 C ATOM 211 C GLU A 16 -6.035 -3.929 9.137 1.00 0.00 C ATOM 212 O GLU A 16 -5.925 -3.067 10.008 1.00 0.00 O ATOM 213 CB GLU A 16 -7.576 -5.899 9.086 1.00 0.00 C ATOM 214 CG GLU A 16 -8.910 -6.208 9.744 1.00 0.00 C ATOM 215 CD GLU A 16 -8.815 -6.269 11.256 1.00 0.00 C ATOM 216 OE1 GLU A 16 -8.118 -7.170 11.771 1.00 0.00 O ATOM 217 OE2 GLU A 16 -9.437 -5.418 11.924 1.00 0.00 O ATOM 0 H GLU A 16 -7.920 -5.092 6.776 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.170 -3.837 9.210 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.470 -6.515 8.193 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.771 -6.181 9.765 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.636 -5.446 9.460 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.284 -7.161 9.369 1.00 0.00 H new ATOM 222 N ALA A 17 -4.989 -4.478 8.526 1.00 0.00 N ATOM 223 CA ALA A 17 -3.623 -4.087 8.849 1.00 0.00 C ATOM 224 C ALA A 17 -3.393 -2.608 8.564 1.00 0.00 C ATOM 225 O ALA A 17 -2.967 -1.855 9.440 1.00 0.00 O ATOM 226 CB ALA A 17 -2.632 -4.939 8.070 1.00 0.00 C ATOM 0 H ALA A 17 -5.063 -5.195 7.804 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.466 -4.252 9.915 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.616 -4.636 8.321 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.772 -5.988 8.329 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.797 -4.804 7.001 1.00 0.00 H new ATOM 232 N PHE A 18 -3.674 -2.197 7.331 1.00 0.00 N ATOM 233 CA PHE A 18 -3.495 -0.807 6.929 1.00 0.00 C ATOM 234 C PHE A 18 -3.965 0.143 8.028 1.00 0.00 C ATOM 235 O PHE A 18 -3.203 0.986 8.501 1.00 0.00 O ATOM 236 CB PHE A 18 -4.262 -0.525 5.635 1.00 0.00 C ATOM 237 CG PHE A 18 -4.169 0.904 5.182 1.00 0.00 C ATOM 238 CD1 PHE A 18 -4.981 1.876 5.746 1.00 0.00 C ATOM 239 CD2 PHE A 18 -3.272 1.275 4.194 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.898 3.192 5.332 1.00 0.00 C ATOM 241 CE2 PHE A 18 -3.186 2.589 3.776 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.999 3.549 4.345 1.00 0.00 C ATOM 0 H PHE A 18 -4.026 -2.807 6.594 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.432 -0.639 6.758 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.879 -1.173 4.847 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.311 -0.784 5.780 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.686 1.602 6.517 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.633 0.529 3.745 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.535 3.941 5.779 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.483 2.865 3.004 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.933 4.577 4.019 1.00 0.00 H new ATOM 251 N ALA A 19 -5.223 -0.003 8.429 1.00 0.00 N ATOM 252 CA ALA A 19 -5.794 0.839 9.473 1.00 0.00 C ATOM 253 C ALA A 19 -4.898 0.869 10.705 1.00 0.00 C ATOM 254 O ALA A 19 -4.627 1.933 11.264 1.00 0.00 O ATOM 255 CB ALA A 19 -7.187 0.350 9.842 1.00 0.00 C ATOM 0 H ALA A 19 -5.866 -0.696 8.047 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.868 1.855 9.086 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.602 0.988 10.623 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.830 0.387 8.963 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.128 -0.676 10.205 1.00 0.00 H new ATOM 261 N LYS A 20 -4.439 -0.304 11.127 1.00 0.00 N ATOM 262 CA LYS A 20 -3.571 -0.414 12.294 1.00 0.00 C ATOM 263 C LYS A 20 -2.339 0.472 12.141 1.00 0.00 C ATOM 264 O LYS A 20 -1.773 0.941 13.129 1.00 0.00 O ATOM 265 CB LYS A 20 -3.144 -1.868 12.504 1.00 0.00 C ATOM 266 CG LYS A 20 -4.299 -2.854 12.456 1.00 0.00 C ATOM 267 CD LYS A 20 -4.306 -3.765 13.672 1.00 0.00 C ATOM 268 CE LYS A 20 -2.961 -4.448 13.863 1.00 0.00 C ATOM 269 NZ LYS A 20 -2.997 -5.443 14.972 1.00 0.00 N ATOM 0 H LYS A 20 -4.654 -1.194 10.677 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.133 -0.078 13.166 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.415 -2.138 11.740 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.643 -1.955 13.468 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.242 -2.309 12.403 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.227 -3.456 11.550 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.550 -3.185 14.562 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.085 -4.519 13.559 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.672 -4.946 12.938 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.199 -3.697 14.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.062 -5.887 15.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.248 -4.964 15.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.706 -6.174 14.760 1.00 0.00 H new ATOM 279 N VAL A 21 -1.928 0.697 10.897 1.00 0.00 N ATOM 280 CA VAL A 21 -0.764 1.529 10.614 1.00 0.00 C ATOM 281 C VAL A 21 -1.178 2.866 10.013 1.00 0.00 C ATOM 282 O VAL A 21 -0.332 3.668 9.617 1.00 0.00 O ATOM 283 CB VAL A 21 0.208 0.823 9.650 1.00 0.00 C ATOM 284 CG1 VAL A 21 1.535 0.546 10.338 1.00 0.00 C ATOM 285 CG2 VAL A 21 -0.406 -0.464 9.121 1.00 0.00 C ATOM 0 H VAL A 21 -2.384 0.315 10.069 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.259 1.703 11.564 1.00 0.00 H new ATOM 0 HB VAL A 21 0.396 1.484 8.803 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.209 0.047 9.642 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.980 1.487 10.662 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.369 -0.095 11.204 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.295 -0.949 8.442 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.625 -1.132 9.954 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.329 -0.235 8.588 1.00 0.00 H new ATOM 295 N ASP A 22 -2.484 3.101 9.948 1.00 0.00 N ATOM 296 CA ASP A 22 -3.011 4.344 9.396 1.00 0.00 C ATOM 297 C ASP A 22 -3.539 5.250 10.504 1.00 0.00 C ATOM 298 O ASP A 22 -4.639 5.794 10.406 1.00 0.00 O ATOM 299 CB ASP A 22 -4.123 4.049 8.390 1.00 0.00 C ATOM 300 CG ASP A 22 -4.597 5.295 7.667 1.00 0.00 C ATOM 301 OD1 ASP A 22 -5.824 5.449 7.491 1.00 0.00 O ATOM 302 OD2 ASP A 22 -3.741 6.118 7.280 1.00 0.00 O ATOM 0 H ASP A 22 -3.197 2.447 10.271 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.197 4.860 8.886 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.765 3.323 7.660 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.965 3.591 8.908 1.00 0.00 H new ATOM 306 N THR A 23 -2.746 5.408 11.560 1.00 0.00 N ATOM 307 CA THR A 23 -3.134 6.246 12.689 1.00 0.00 C ATOM 308 C THR A 23 -2.840 7.715 12.408 1.00 0.00 C ATOM 309 O THR A 23 -2.968 8.562 13.292 1.00 0.00 O ATOM 310 CB THR A 23 -2.403 5.824 13.977 1.00 0.00 C ATOM 311 OG1 THR A 23 -1.114 5.291 13.658 1.00 0.00 O ATOM 312 CG2 THR A 23 -3.211 4.788 14.744 1.00 0.00 C ATOM 0 H THR A 23 -1.831 4.967 11.657 1.00 0.00 H new ATOM 0 HA THR A 23 -4.207 6.114 12.829 1.00 0.00 H new ATOM 0 HB THR A 23 -2.284 6.707 14.606 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.656 5.027 14.483 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.674 4.506 15.650 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.180 5.208 15.013 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.358 3.907 14.120 1.00 0.00 H new ATOM 320 N ASP A 24 -2.449 8.010 11.174 1.00 0.00 N ATOM 321 CA ASP A 24 -2.139 9.378 10.777 1.00 0.00 C ATOM 322 C ASP A 24 -3.352 10.285 10.962 1.00 0.00 C ATOM 323 O ASP A 24 -3.220 11.506 11.040 1.00 0.00 O ATOM 324 CB ASP A 24 -1.677 9.417 9.319 1.00 0.00 C ATOM 325 CG ASP A 24 -0.754 8.265 8.974 1.00 0.00 C ATOM 326 OD1 ASP A 24 0.458 8.508 8.794 1.00 0.00 O ATOM 327 OD2 ASP A 24 -1.243 7.119 8.884 1.00 0.00 O ATOM 0 H ASP A 24 -2.339 7.320 10.431 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.334 9.741 11.415 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.548 9.390 8.664 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.164 10.360 9.128 1.00 0.00 H new ATOM 331 N GLY A 25 -4.532 9.680 11.033 1.00 0.00 N ATOM 332 CA GLY A 25 -5.751 10.448 11.207 1.00 0.00 C ATOM 333 C GLY A 25 -6.172 11.165 9.940 1.00 0.00 C ATOM 334 O GLY A 25 -7.082 11.993 9.960 1.00 0.00 O ATOM 0 H GLY A 25 -4.667 8.671 10.973 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.553 9.783 11.528 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.606 11.179 12.003 1.00 0.00 H new ATOM 338 N ASN A 26 -5.507 10.848 8.834 1.00 0.00 N ATOM 339 CA ASN A 26 -5.815 11.470 7.551 1.00 0.00 C ATOM 340 C ASN A 26 -6.395 10.450 6.577 1.00 0.00 C ATOM 341 O ASN A 26 -7.020 10.812 5.582 1.00 0.00 O ATOM 342 CB ASN A 26 -4.557 12.105 6.954 1.00 0.00 C ATOM 343 CG ASN A 26 -3.358 11.179 7.011 1.00 0.00 C ATOM 344 OD1 ASN A 26 -3.458 9.997 6.684 1.00 0.00 O ATOM 345 ND2 ASN A 26 -2.217 11.714 7.429 1.00 0.00 N ATOM 0 H ASN A 26 -4.751 10.164 8.800 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.560 12.247 7.721 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.750 12.381 5.917 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.328 13.025 7.492 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.376 11.140 7.489 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.181 12.699 7.690 1.00 0.00 H new ATOM 351 N GLY A 27 -6.183 9.171 6.872 1.00 0.00 N ATOM 352 CA GLY A 27 -6.692 8.117 6.014 1.00 0.00 C ATOM 353 C GLY A 27 -5.586 7.371 5.294 1.00 0.00 C ATOM 354 O GLY A 27 -5.714 6.181 5.006 1.00 0.00 O ATOM 0 H GLY A 27 -5.668 8.846 7.690 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.271 7.413 6.612 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.373 8.547 5.280 1.00 0.00 H new ATOM 358 N TYR A 28 -4.496 8.072 5.001 1.00 0.00 N ATOM 359 CA TYR A 28 -3.364 7.470 4.307 1.00 0.00 C ATOM 360 C TYR A 28 -2.188 7.264 5.257 1.00 0.00 C ATOM 361 O TYR A 28 -1.970 8.057 6.174 1.00 0.00 O ATOM 362 CB TYR A 28 -2.935 8.348 3.130 1.00 0.00 C ATOM 363 CG TYR A 28 -3.003 9.830 3.423 1.00 0.00 C ATOM 364 CD1 TYR A 28 -4.090 10.590 3.012 1.00 0.00 C ATOM 365 CD2 TYR A 28 -1.979 10.470 4.110 1.00 0.00 C ATOM 366 CE1 TYR A 28 -4.157 11.944 3.277 1.00 0.00 C ATOM 367 CE2 TYR A 28 -2.038 11.823 4.381 1.00 0.00 C ATOM 368 CZ TYR A 28 -3.128 12.555 3.963 1.00 0.00 C ATOM 369 OH TYR A 28 -3.190 13.904 4.229 1.00 0.00 O ATOM 0 H TYR A 28 -4.373 9.057 5.233 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.678 6.496 3.931 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.915 8.089 2.847 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.570 8.126 2.272 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.897 10.114 2.476 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.122 9.900 4.438 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.009 12.520 2.949 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.234 12.305 4.918 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.387 14.178 4.720 1.00 0.00 H new ATOM 378 N ILE A 29 -1.433 6.195 5.030 1.00 0.00 N ATOM 379 CA ILE A 29 -0.277 5.886 5.864 1.00 0.00 C ATOM 380 C ILE A 29 1.006 6.436 5.251 1.00 0.00 C ATOM 381 O ILE A 29 0.989 7.016 4.167 1.00 0.00 O ATOM 382 CB ILE A 29 -0.125 4.367 6.071 1.00 0.00 C ATOM 383 CG1 ILE A 29 0.230 3.683 4.749 1.00 0.00 C ATOM 384 CG2 ILE A 29 -1.402 3.780 6.652 1.00 0.00 C ATOM 385 CD1 ILE A 29 0.278 2.173 4.844 1.00 0.00 C ATOM 0 H ILE A 29 -1.600 5.528 4.276 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.447 6.362 6.830 1.00 0.00 H new ATOM 0 HB ILE A 29 0.686 4.191 6.778 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.502 3.968 3.993 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.199 4.049 4.409 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.278 2.706 6.792 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.614 4.249 7.613 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.231 3.963 5.968 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.535 1.755 3.871 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.030 1.878 5.576 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.697 1.797 5.154 1.00 0.00 H new ATOM 396 N SER A 30 2.118 6.247 5.955 1.00 0.00 N ATOM 397 CA SER A 30 3.412 6.727 5.481 1.00 0.00 C ATOM 398 C SER A 30 4.208 5.595 4.838 1.00 0.00 C ATOM 399 O SER A 30 3.875 4.421 4.993 1.00 0.00 O ATOM 400 CB SER A 30 4.208 7.333 6.638 1.00 0.00 C ATOM 401 OG SER A 30 3.739 8.631 6.956 1.00 0.00 O ATOM 0 H SER A 30 2.149 5.766 6.854 1.00 0.00 H new ATOM 0 HA SER A 30 3.235 7.496 4.729 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.128 6.690 7.514 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.264 7.380 6.372 1.00 0.00 H new ATOM 0 HG SER A 30 4.263 8.995 7.700 1.00 0.00 H new ATOM 406 N PHE A 31 5.262 5.960 4.115 1.00 0.00 N ATOM 407 CA PHE A 31 6.106 4.977 3.446 1.00 0.00 C ATOM 408 C PHE A 31 6.477 3.841 4.396 1.00 0.00 C ATOM 409 O PHE A 31 6.213 2.673 4.116 1.00 0.00 O ATOM 410 CB PHE A 31 7.375 5.643 2.911 1.00 0.00 C ATOM 411 CG PHE A 31 7.355 5.864 1.424 1.00 0.00 C ATOM 412 CD1 PHE A 31 6.528 6.824 0.864 1.00 0.00 C ATOM 413 CD2 PHE A 31 8.163 5.110 0.588 1.00 0.00 C ATOM 414 CE1 PHE A 31 6.507 7.030 -0.502 1.00 0.00 C ATOM 415 CE2 PHE A 31 8.146 5.312 -0.779 1.00 0.00 C ATOM 416 CZ PHE A 31 7.317 6.272 -1.325 1.00 0.00 C ATOM 0 H PHE A 31 5.552 6.928 3.978 1.00 0.00 H new ATOM 0 HA PHE A 31 5.543 4.560 2.611 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.511 6.602 3.411 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.236 5.025 3.167 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.892 7.419 1.503 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.813 4.357 1.009 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.858 7.782 -0.926 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.781 4.719 -1.420 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.302 6.430 -2.393 1.00 0.00 H new ATOM 425 N ASN A 32 7.090 4.195 5.521 1.00 0.00 N ATOM 426 CA ASN A 32 7.498 3.207 6.513 1.00 0.00 C ATOM 427 C ASN A 32 6.321 2.327 6.920 1.00 0.00 C ATOM 428 O ASN A 32 6.435 1.103 6.963 1.00 0.00 O ATOM 429 CB ASN A 32 8.080 3.901 7.745 1.00 0.00 C ATOM 430 CG ASN A 32 9.504 4.372 7.525 1.00 0.00 C ATOM 431 OD1 ASN A 32 9.750 5.554 7.284 1.00 0.00 O ATOM 432 ND2 ASN A 32 10.453 3.445 7.607 1.00 0.00 N ATOM 0 H ASN A 32 7.315 5.159 5.768 1.00 0.00 H new ATOM 0 HA ASN A 32 8.264 2.574 6.065 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.455 4.754 8.007 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.054 3.215 8.591 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.430 3.702 7.468 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.204 2.477 7.809 1.00 0.00 H new ATOM 438 N GLU A 33 5.190 2.960 7.216 1.00 0.00 N ATOM 439 CA GLU A 33 3.992 2.233 7.620 1.00 0.00 C ATOM 440 C GLU A 33 3.550 1.262 6.529 1.00 0.00 C ATOM 441 O GLU A 33 3.124 0.142 6.812 1.00 0.00 O ATOM 442 CB GLU A 33 2.858 3.211 7.938 1.00 0.00 C ATOM 443 CG GLU A 33 3.219 4.239 8.996 1.00 0.00 C ATOM 444 CD GLU A 33 4.357 3.782 9.888 1.00 0.00 C ATOM 445 OE1 GLU A 33 4.157 2.817 10.655 1.00 0.00 O ATOM 446 OE2 GLU A 33 5.445 4.390 9.821 1.00 0.00 O ATOM 0 H GLU A 33 5.078 3.973 7.184 1.00 0.00 H new ATOM 0 HA GLU A 33 4.231 1.660 8.516 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.570 3.729 7.024 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.987 2.648 8.273 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.497 5.174 8.509 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.342 4.447 9.609 1.00 0.00 H new ATOM 451 N LEU A 34 3.655 1.699 5.278 1.00 0.00 N ATOM 452 CA LEU A 34 3.266 0.871 4.142 1.00 0.00 C ATOM 453 C LEU A 34 4.037 -0.445 4.140 1.00 0.00 C ATOM 454 O LEU A 34 3.451 -1.520 4.265 1.00 0.00 O ATOM 455 CB LEU A 34 3.510 1.620 2.831 1.00 0.00 C ATOM 456 CG LEU A 34 3.647 0.756 1.579 1.00 0.00 C ATOM 457 CD1 LEU A 34 2.309 0.135 1.210 1.00 0.00 C ATOM 458 CD2 LEU A 34 4.194 1.576 0.421 1.00 0.00 C ATOM 0 H LEU A 34 4.007 2.623 5.025 1.00 0.00 H new ATOM 0 HA LEU A 34 2.203 0.649 4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.688 2.319 2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.418 2.214 2.939 1.00 0.00 H new ATOM 0 HG LEU A 34 4.351 -0.048 1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.426 -0.477 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.958 -0.488 2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.582 0.924 1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.285 0.943 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.516 2.402 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.175 1.971 0.686 1.00 0.00 H new ATOM 469 N ASN A 35 5.356 -0.352 3.999 1.00 0.00 N ATOM 470 CA ASN A 35 6.207 -1.535 3.981 1.00 0.00 C ATOM 471 C ASN A 35 5.865 -2.469 5.138 1.00 0.00 C ATOM 472 O ASN A 35 5.661 -3.667 4.943 1.00 0.00 O ATOM 473 CB ASN A 35 7.681 -1.130 4.058 1.00 0.00 C ATOM 474 CG ASN A 35 8.597 -2.317 4.289 1.00 0.00 C ATOM 475 OD1 ASN A 35 8.602 -3.271 3.510 1.00 0.00 O ATOM 476 ND2 ASN A 35 9.375 -2.263 5.363 1.00 0.00 N ATOM 0 H ASN A 35 5.857 0.530 3.896 1.00 0.00 H new ATOM 0 HA ASN A 35 6.030 -2.064 3.045 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.966 -0.630 3.133 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.815 -0.409 4.864 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.011 -3.033 5.571 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.337 -1.452 5.980 1.00 0.00 H new ATOM 482 N ASP A 36 5.803 -1.912 6.342 1.00 0.00 N ATOM 483 CA ASP A 36 5.483 -2.694 7.532 1.00 0.00 C ATOM 484 C ASP A 36 4.101 -3.326 7.410 1.00 0.00 C ATOM 485 O ASP A 36 3.870 -4.436 7.890 1.00 0.00 O ATOM 486 CB ASP A 36 5.547 -1.813 8.780 1.00 0.00 C ATOM 487 CG ASP A 36 6.653 -2.232 9.729 1.00 0.00 C ATOM 488 OD1 ASP A 36 7.790 -2.449 9.257 1.00 0.00 O ATOM 489 OD2 ASP A 36 6.382 -2.343 10.942 1.00 0.00 O ATOM 0 H ASP A 36 5.970 -0.922 6.521 1.00 0.00 H new ATOM 0 HA ASP A 36 6.221 -3.491 7.622 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.702 -0.776 8.482 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.590 -1.855 9.301 1.00 0.00 H new ATOM 493 N LEU A 37 3.184 -2.612 6.767 1.00 0.00 N ATOM 494 CA LEU A 37 1.823 -3.102 6.583 1.00 0.00 C ATOM 495 C LEU A 37 1.795 -4.288 5.624 1.00 0.00 C ATOM 496 O LEU A 37 1.016 -5.225 5.801 1.00 0.00 O ATOM 497 CB LEU A 37 0.923 -1.984 6.054 1.00 0.00 C ATOM 498 CG LEU A 37 -0.186 -2.412 5.092 1.00 0.00 C ATOM 499 CD1 LEU A 37 -1.132 -3.391 5.770 1.00 0.00 C ATOM 500 CD2 LEU A 37 -0.948 -1.198 4.581 1.00 0.00 C ATOM 0 H LEU A 37 3.358 -1.691 6.364 1.00 0.00 H new ATOM 0 HA LEU A 37 1.450 -3.433 7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.464 -1.481 6.905 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.550 -1.249 5.550 1.00 0.00 H new ATOM 0 HG LEU A 37 0.273 -2.913 4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.915 -3.685 5.070 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.577 -4.275 6.085 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.584 -2.917 6.641 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.733 -1.522 3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.395 -0.668 5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.263 -0.533 4.056 1.00 0.00 H new ATOM 511 N PHE A 38 2.653 -4.242 4.610 1.00 0.00 N ATOM 512 CA PHE A 38 2.729 -5.313 3.623 1.00 0.00 C ATOM 513 C PHE A 38 3.140 -6.628 4.278 1.00 0.00 C ATOM 514 O PHE A 38 2.523 -7.669 4.050 1.00 0.00 O ATOM 515 CB PHE A 38 3.722 -4.948 2.518 1.00 0.00 C ATOM 516 CG PHE A 38 3.076 -4.734 1.178 1.00 0.00 C ATOM 517 CD1 PHE A 38 2.570 -3.494 0.829 1.00 0.00 C ATOM 518 CD2 PHE A 38 2.976 -5.776 0.270 1.00 0.00 C ATOM 519 CE1 PHE A 38 1.977 -3.293 -0.404 1.00 0.00 C ATOM 520 CE2 PHE A 38 2.383 -5.582 -0.964 1.00 0.00 C ATOM 521 CZ PHE A 38 1.882 -4.340 -1.301 1.00 0.00 C ATOM 0 H PHE A 38 3.305 -3.474 4.450 1.00 0.00 H new ATOM 0 HA PHE A 38 1.739 -5.440 3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.255 -4.041 2.804 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.465 -5.741 2.432 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.639 -2.674 1.528 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.365 -6.750 0.529 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.589 -2.320 -0.665 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.312 -6.401 -1.664 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.417 -4.187 -2.264 1.00 0.00 H new ATOM 530 N LYS A 39 4.187 -6.574 5.095 1.00 0.00 N ATOM 531 CA LYS A 39 4.683 -7.758 5.785 1.00 0.00 C ATOM 532 C LYS A 39 3.771 -8.130 6.950 1.00 0.00 C ATOM 533 O LYS A 39 3.580 -9.308 7.249 1.00 0.00 O ATOM 534 CB LYS A 39 6.107 -7.520 6.292 1.00 0.00 C ATOM 535 CG LYS A 39 6.960 -6.694 5.344 1.00 0.00 C ATOM 536 CD LYS A 39 8.432 -6.766 5.714 1.00 0.00 C ATOM 537 CE LYS A 39 8.669 -6.326 7.151 1.00 0.00 C ATOM 538 NZ LYS A 39 8.225 -4.922 7.380 1.00 0.00 N ATOM 0 H LYS A 39 4.709 -5.721 5.295 1.00 0.00 H new ATOM 0 HA LYS A 39 4.692 -8.585 5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.061 -7.017 7.258 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.591 -8.483 6.457 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.822 -7.052 4.324 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.629 -5.656 5.365 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.792 -7.786 5.581 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.009 -6.134 5.039 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.134 -6.992 7.828 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.729 -6.415 7.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.004 -4.376 7.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.951 -4.492 6.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.410 -4.917 8.026 1.00 0.00 H new ATOM 548 N ALA A 40 3.211 -7.118 7.603 1.00 0.00 N ATOM 549 CA ALA A 40 2.317 -7.338 8.733 1.00 0.00 C ATOM 550 C ALA A 40 1.017 -7.997 8.284 1.00 0.00 C ATOM 551 O ALA A 40 0.365 -8.697 9.058 1.00 0.00 O ATOM 552 CB ALA A 40 2.028 -6.024 9.443 1.00 0.00 C ATOM 0 H ALA A 40 3.361 -6.137 7.369 1.00 0.00 H new ATOM 0 HA ALA A 40 2.814 -8.012 9.431 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.359 -6.205 10.284 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.961 -5.594 9.807 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.556 -5.330 8.747 1.00 0.00 H new ATOM 558 N ALA A 41 0.645 -7.764 7.029 1.00 0.00 N ATOM 559 CA ALA A 41 -0.578 -8.335 6.478 1.00 0.00 C ATOM 560 C ALA A 41 -0.315 -9.708 5.866 1.00 0.00 C ATOM 561 O ALA A 41 -1.166 -10.258 5.166 1.00 0.00 O ATOM 562 CB ALA A 41 -1.176 -7.398 5.439 1.00 0.00 C ATOM 0 H ALA A 41 1.172 -7.185 6.376 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.291 -8.459 7.293 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.089 -7.837 5.036 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.409 -6.440 5.904 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.460 -7.245 4.632 1.00 0.00 H new ATOM 568 N CYS A 42 0.866 -10.253 6.135 1.00 0.00 N ATOM 569 CA CYS A 42 1.241 -11.561 5.609 1.00 0.00 C ATOM 570 C CYS A 42 0.995 -11.633 4.105 1.00 0.00 C ATOM 571 O CYS A 42 0.271 -12.506 3.625 1.00 0.00 O ATOM 572 CB CYS A 42 0.455 -12.664 6.320 1.00 0.00 C ATOM 573 SG CYS A 42 0.895 -12.878 8.061 1.00 0.00 S ATOM 0 H CYS A 42 1.580 -9.810 6.714 1.00 0.00 H new ATOM 0 HA CYS A 42 2.305 -11.708 5.792 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.609 -12.440 6.250 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.617 -13.606 5.797 1.00 0.00 H new ATOM 0 HG CYS A 42 0.176 -13.831 8.576 1.00 0.00 H new ATOM 578 N LEU A 43 1.601 -10.710 3.367 1.00 0.00 N ATOM 579 CA LEU A 43 1.447 -10.668 1.916 1.00 0.00 C ATOM 580 C LEU A 43 2.518 -11.511 1.231 1.00 0.00 C ATOM 581 O LEU A 43 3.547 -11.848 1.816 1.00 0.00 O ATOM 582 CB LEU A 43 1.522 -9.224 1.418 1.00 0.00 C ATOM 583 CG LEU A 43 0.201 -8.456 1.383 1.00 0.00 C ATOM 584 CD1 LEU A 43 -0.801 -9.072 2.347 1.00 0.00 C ATOM 585 CD2 LEU A 43 0.428 -6.988 1.714 1.00 0.00 C ATOM 0 H LEU A 43 2.203 -9.981 3.748 1.00 0.00 H new ATOM 0 HA LEU A 43 0.470 -11.082 1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.220 -8.678 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.943 -9.229 0.413 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.208 -8.522 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.735 -8.512 2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.987 -10.108 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.400 -9.038 3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.523 -6.457 1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.860 -6.902 2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.110 -6.552 0.984 1.00 0.00 H new ATOM 596 N PRO A 44 2.271 -11.860 -0.041 1.00 0.00 N ATOM 597 CA PRO A 44 3.203 -12.665 -0.835 1.00 0.00 C ATOM 598 C PRO A 44 4.475 -11.902 -1.188 1.00 0.00 C ATOM 599 O PRO A 44 5.585 -12.401 -0.993 1.00 0.00 O ATOM 600 CB PRO A 44 2.405 -12.986 -2.101 1.00 0.00 C ATOM 601 CG PRO A 44 1.411 -11.882 -2.212 1.00 0.00 C ATOM 602 CD PRO A 44 1.065 -11.493 -0.802 1.00 0.00 C ATOM 0 HA PRO A 44 3.542 -13.547 -0.292 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.052 -13.026 -2.977 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.913 -13.956 -2.024 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.827 -11.036 -2.759 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.524 -12.208 -2.755 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.847 -10.428 -0.721 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.185 -12.026 -0.442 1.00 0.00 H new ATOM 607 N LEU A 45 4.308 -10.689 -1.705 1.00 0.00 N ATOM 608 CA LEU A 45 5.444 -9.857 -2.084 1.00 0.00 C ATOM 609 C LEU A 45 6.438 -9.734 -0.934 1.00 0.00 C ATOM 610 O LEU A 45 6.063 -9.610 0.233 1.00 0.00 O ATOM 611 CB LEU A 45 4.963 -8.467 -2.508 1.00 0.00 C ATOM 612 CG LEU A 45 4.036 -8.420 -3.722 1.00 0.00 C ATOM 613 CD1 LEU A 45 4.358 -7.214 -4.592 1.00 0.00 C ATOM 614 CD2 LEU A 45 4.144 -9.706 -4.527 1.00 0.00 C ATOM 0 H LEU A 45 3.397 -10.261 -1.871 1.00 0.00 H new ATOM 0 HA LEU A 45 5.948 -10.334 -2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.447 -8.010 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.837 -7.851 -2.719 1.00 0.00 H new ATOM 0 HG LEU A 45 3.010 -8.323 -3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.688 -7.196 -5.452 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.227 -6.301 -4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.390 -7.279 -4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.477 -9.654 -5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.170 -9.835 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.863 -10.552 -3.900 1.00 0.00 H new ATOM 625 N PRO A 46 7.736 -9.769 -1.267 1.00 0.00 N ATOM 626 CA PRO A 46 8.811 -9.661 -0.275 1.00 0.00 C ATOM 627 C PRO A 46 8.903 -8.265 0.331 1.00 0.00 C ATOM 628 O PRO A 46 8.012 -7.436 0.143 1.00 0.00 O ATOM 629 CB PRO A 46 10.072 -9.978 -1.083 1.00 0.00 C ATOM 630 CG PRO A 46 9.723 -9.619 -2.487 1.00 0.00 C ATOM 631 CD PRO A 46 8.255 -9.915 -2.636 1.00 0.00 C ATOM 0 HA PRO A 46 8.652 -10.328 0.572 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.926 -9.401 -0.727 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.342 -11.031 -0.999 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.931 -8.568 -2.685 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.312 -10.200 -3.197 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.773 -9.221 -3.324 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.085 -10.919 -3.025 1.00 0.00 H new ATOM 636 N GLY A 47 9.987 -8.010 1.057 1.00 0.00 N ATOM 637 CA GLY A 47 10.175 -6.712 1.679 1.00 0.00 C ATOM 638 C GLY A 47 10.744 -5.687 0.719 1.00 0.00 C ATOM 639 O GLY A 47 10.341 -4.522 0.732 1.00 0.00 O ATOM 0 H GLY A 47 10.738 -8.679 1.226 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.220 -6.355 2.063 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.844 -6.815 2.534 1.00 0.00 H new ATOM 643 N TYR A 48 11.685 -6.117 -0.114 1.00 0.00 N ATOM 644 CA TYR A 48 12.315 -5.226 -1.082 1.00 0.00 C ATOM 645 C TYR A 48 11.328 -4.825 -2.174 1.00 0.00 C ATOM 646 O TYR A 48 11.306 -3.675 -2.612 1.00 0.00 O ATOM 647 CB TYR A 48 13.538 -5.900 -1.706 1.00 0.00 C ATOM 648 CG TYR A 48 13.208 -7.163 -2.471 1.00 0.00 C ATOM 649 CD1 TYR A 48 13.193 -8.399 -1.837 1.00 0.00 C ATOM 650 CD2 TYR A 48 12.916 -7.119 -3.829 1.00 0.00 C ATOM 651 CE1 TYR A 48 12.893 -9.555 -2.533 1.00 0.00 C ATOM 652 CE2 TYR A 48 12.614 -8.269 -4.532 1.00 0.00 C ATOM 653 CZ TYR A 48 12.604 -9.484 -3.880 1.00 0.00 C ATOM 654 OH TYR A 48 12.305 -10.632 -4.577 1.00 0.00 O ATOM 0 H TYR A 48 12.029 -7.077 -0.139 1.00 0.00 H new ATOM 0 HA TYR A 48 12.634 -4.326 -0.557 1.00 0.00 H new ATOM 0 HB2 TYR A 48 14.028 -5.195 -2.378 1.00 0.00 H new ATOM 0 HB3 TYR A 48 14.253 -6.138 -0.918 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.420 -8.458 -0.783 1.00 0.00 H new ATOM 0 HD2 TYR A 48 12.925 -6.169 -4.343 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.885 -10.508 -2.025 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.387 -8.217 -5.587 1.00 0.00 H new ATOM 0 HH TYR A 48 12.125 -10.408 -5.514 1.00 0.00 H new ATOM 663 N ARG A 49 10.516 -5.781 -2.609 1.00 0.00 N ATOM 664 CA ARG A 49 9.527 -5.529 -3.650 1.00 0.00 C ATOM 665 C ARG A 49 8.639 -4.343 -3.281 1.00 0.00 C ATOM 666 O ARG A 49 8.435 -3.433 -4.086 1.00 0.00 O ATOM 667 CB ARG A 49 8.666 -6.773 -3.878 1.00 0.00 C ATOM 668 CG ARG A 49 9.198 -7.691 -4.965 1.00 0.00 C ATOM 669 CD ARG A 49 8.502 -7.442 -6.295 1.00 0.00 C ATOM 670 NE ARG A 49 9.335 -6.671 -7.213 1.00 0.00 N ATOM 671 CZ ARG A 49 8.879 -6.122 -8.334 1.00 0.00 C ATOM 672 NH1 ARG A 49 7.606 -6.259 -8.673 1.00 0.00 N ATOM 673 NH2 ARG A 49 9.700 -5.434 -9.118 1.00 0.00 N ATOM 0 H ARG A 49 10.523 -6.738 -2.257 1.00 0.00 H new ATOM 0 HA ARG A 49 10.059 -5.290 -4.571 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.596 -7.332 -2.945 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.655 -6.462 -4.140 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.271 -7.537 -5.080 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.055 -8.730 -4.667 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.245 -8.397 -6.754 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.567 -6.910 -6.121 1.00 0.00 H new ATOM 0 HE ARG A 49 10.321 -6.547 -6.981 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.972 -6.787 -8.073 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.259 -5.836 -9.534 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.681 -5.327 -8.860 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.350 -5.013 -9.978 1.00 0.00 H new ATOM 684 N VAL A 50 8.115 -4.360 -2.060 1.00 0.00 N ATOM 685 CA VAL A 50 7.251 -3.287 -1.585 1.00 0.00 C ATOM 686 C VAL A 50 8.014 -1.972 -1.478 1.00 0.00 C ATOM 687 O VAL A 50 7.665 -0.985 -2.125 1.00 0.00 O ATOM 688 CB VAL A 50 6.638 -3.625 -0.212 1.00 0.00 C ATOM 689 CG1 VAL A 50 5.639 -2.557 0.206 1.00 0.00 C ATOM 690 CG2 VAL A 50 5.982 -4.997 -0.246 1.00 0.00 C ATOM 0 H VAL A 50 8.274 -5.105 -1.382 1.00 0.00 H new ATOM 0 HA VAL A 50 6.450 -3.180 -2.316 1.00 0.00 H new ATOM 0 HB VAL A 50 7.438 -3.648 0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.217 -2.814 1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.143 -1.593 0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.839 -2.498 -0.532 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.554 -5.220 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.193 -5.004 -0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.728 -5.751 -0.496 1.00 0.00 H new ATOM 700 N ARG A 51 9.059 -1.966 -0.656 1.00 0.00 N ATOM 701 CA ARG A 51 9.874 -0.773 -0.464 1.00 0.00 C ATOM 702 C ARG A 51 10.329 -0.203 -1.803 1.00 0.00 C ATOM 703 O ARG A 51 10.414 1.012 -1.976 1.00 0.00 O ATOM 704 CB ARG A 51 11.091 -1.094 0.407 1.00 0.00 C ATOM 705 CG ARG A 51 11.961 0.115 0.706 1.00 0.00 C ATOM 706 CD ARG A 51 13.393 -0.101 0.243 1.00 0.00 C ATOM 707 NE ARG A 51 14.354 0.087 1.327 1.00 0.00 N ATOM 708 CZ ARG A 51 14.689 1.276 1.814 1.00 0.00 C ATOM 709 NH1 ARG A 51 14.144 2.377 1.317 1.00 0.00 N ATOM 710 NH2 ARG A 51 15.571 1.365 2.801 1.00 0.00 N ATOM 0 H ARG A 51 9.361 -2.775 -0.112 1.00 0.00 H new ATOM 0 HA ARG A 51 9.263 -0.024 0.040 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.750 -1.527 1.347 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.695 -1.851 -0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.546 0.994 0.212 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.950 0.316 1.777 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.495 -1.108 -0.161 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.620 0.592 -0.567 1.00 0.00 H new ATOM 0 HE ARG A 51 14.792 -0.741 1.732 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.465 2.312 0.558 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.403 3.289 1.693 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.992 0.520 3.186 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.828 2.279 3.175 1.00 0.00 H new ATOM 721 N GLU A 52 10.623 -1.091 -2.749 1.00 0.00 N ATOM 722 CA GLU A 52 11.071 -0.676 -4.073 1.00 0.00 C ATOM 723 C GLU A 52 9.924 -0.058 -4.867 1.00 0.00 C ATOM 724 O GLU A 52 10.031 1.066 -5.359 1.00 0.00 O ATOM 725 CB GLU A 52 11.651 -1.868 -4.837 1.00 0.00 C ATOM 726 CG GLU A 52 12.159 -1.514 -6.224 1.00 0.00 C ATOM 727 CD GLU A 52 12.916 -2.654 -6.877 1.00 0.00 C ATOM 728 OE1 GLU A 52 12.702 -3.816 -6.472 1.00 0.00 O ATOM 729 OE2 GLU A 52 13.721 -2.385 -7.792 1.00 0.00 O ATOM 0 H GLU A 52 10.559 -2.101 -2.623 1.00 0.00 H new ATOM 0 HA GLU A 52 11.849 0.077 -3.945 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.469 -2.296 -4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.886 -2.639 -4.926 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.316 -1.234 -6.855 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.810 -0.642 -6.157 1.00 0.00 H new ATOM 734 N ILE A 53 8.829 -0.800 -4.988 1.00 0.00 N ATOM 735 CA ILE A 53 7.662 -0.326 -5.722 1.00 0.00 C ATOM 736 C ILE A 53 7.280 1.087 -5.293 1.00 0.00 C ATOM 737 O ILE A 53 6.913 1.922 -6.120 1.00 0.00 O ATOM 738 CB ILE A 53 6.452 -1.257 -5.518 1.00 0.00 C ATOM 739 CG1 ILE A 53 6.697 -2.605 -6.200 1.00 0.00 C ATOM 740 CG2 ILE A 53 5.188 -0.607 -6.058 1.00 0.00 C ATOM 741 CD1 ILE A 53 5.970 -3.756 -5.543 1.00 0.00 C ATOM 0 H ILE A 53 8.725 -1.732 -4.587 1.00 0.00 H new ATOM 0 HA ILE A 53 7.933 -0.322 -6.778 1.00 0.00 H new ATOM 0 HB ILE A 53 6.321 -1.430 -4.450 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.386 -2.537 -7.242 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.767 -2.814 -6.199 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.341 -1.277 -5.907 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.008 0.330 -5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.308 -0.408 -7.123 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.190 -4.679 -6.079 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.299 -3.851 -4.508 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.896 -3.570 -5.567 1.00 0.00 H new ATOM 752 N THR A 54 7.370 1.349 -3.993 1.00 0.00 N ATOM 753 CA THR A 54 7.035 2.661 -3.453 1.00 0.00 C ATOM 754 C THR A 54 8.095 3.694 -3.819 1.00 0.00 C ATOM 755 O THR A 54 7.796 4.704 -4.454 1.00 0.00 O ATOM 756 CB THR A 54 6.887 2.617 -1.921 1.00 0.00 C ATOM 757 OG1 THR A 54 6.658 1.270 -1.490 1.00 0.00 O ATOM 758 CG2 THR A 54 5.739 3.503 -1.462 1.00 0.00 C ATOM 0 H THR A 54 7.672 0.670 -3.294 1.00 0.00 H new ATOM 0 HA THR A 54 6.082 2.950 -3.895 1.00 0.00 H new ATOM 0 HB THR A 54 7.811 2.989 -1.478 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.464 0.735 -1.647 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.654 3.455 -0.376 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.930 4.532 -1.766 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.809 3.157 -1.914 1.00 0.00 H new ATOM 766 N GLU A 55 9.335 3.432 -3.416 1.00 0.00 N ATOM 767 CA GLU A 55 10.438 4.340 -3.704 1.00 0.00 C ATOM 768 C GLU A 55 10.491 4.680 -5.190 1.00 0.00 C ATOM 769 O GLU A 55 10.847 5.794 -5.571 1.00 0.00 O ATOM 770 CB GLU A 55 11.766 3.721 -3.263 1.00 0.00 C ATOM 771 CG GLU A 55 12.472 4.505 -2.170 1.00 0.00 C ATOM 772 CD GLU A 55 13.695 5.243 -2.678 1.00 0.00 C ATOM 773 OE1 GLU A 55 14.809 4.945 -2.198 1.00 0.00 O ATOM 774 OE2 GLU A 55 13.540 6.117 -3.556 1.00 0.00 O ATOM 0 H GLU A 55 9.600 2.599 -2.890 1.00 0.00 H new ATOM 0 HA GLU A 55 10.271 5.261 -3.145 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.584 2.706 -2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.426 3.645 -4.127 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.775 5.221 -1.734 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.769 3.823 -1.373 1.00 0.00 H new ATOM 779 N ASN A 56 10.135 3.710 -6.025 1.00 0.00 N ATOM 780 CA ASN A 56 10.142 3.904 -7.471 1.00 0.00 C ATOM 781 C ASN A 56 8.819 4.494 -7.947 1.00 0.00 C ATOM 782 O ASN A 56 8.746 5.101 -9.017 1.00 0.00 O ATOM 783 CB ASN A 56 10.408 2.576 -8.184 1.00 0.00 C ATOM 784 CG ASN A 56 11.874 2.385 -8.521 1.00 0.00 C ATOM 785 OD1 ASN A 56 12.735 2.423 -7.642 1.00 0.00 O ATOM 786 ND2 ASN A 56 12.163 2.175 -9.800 1.00 0.00 N ATOM 0 H ASN A 56 9.838 2.781 -5.726 1.00 0.00 H new ATOM 0 HA ASN A 56 10.940 4.605 -7.714 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.073 1.754 -7.552 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.819 2.534 -9.100 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.132 2.037 -10.088 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.416 2.152 -10.494 1.00 0.00 H new ATOM 792 N LEU A 57 7.774 4.313 -7.146 1.00 0.00 N ATOM 793 CA LEU A 57 6.452 4.828 -7.485 1.00 0.00 C ATOM 794 C LEU A 57 6.464 6.351 -7.560 1.00 0.00 C ATOM 795 O LEU A 57 6.170 6.934 -8.604 1.00 0.00 O ATOM 796 CB LEU A 57 5.423 4.365 -6.452 1.00 0.00 C ATOM 797 CG LEU A 57 4.422 3.311 -6.927 1.00 0.00 C ATOM 798 CD1 LEU A 57 3.441 2.968 -5.818 1.00 0.00 C ATOM 799 CD2 LEU A 57 3.682 3.799 -8.164 1.00 0.00 C ATOM 0 H LEU A 57 7.817 3.814 -6.258 1.00 0.00 H new ATOM 0 HA LEU A 57 6.176 4.437 -8.464 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.958 3.967 -5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.866 5.237 -6.107 1.00 0.00 H new ATOM 0 HG LEU A 57 4.972 2.407 -7.189 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.737 2.217 -6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.986 2.576 -4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.896 3.865 -5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.974 3.037 -8.489 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.144 4.717 -7.928 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.397 3.993 -8.963 1.00 0.00 H new ATOM 810 N MET A 58 6.808 6.992 -6.447 1.00 0.00 N ATOM 811 CA MET A 58 6.861 8.448 -6.389 1.00 0.00 C ATOM 812 C MET A 58 8.193 8.964 -6.922 1.00 0.00 C ATOM 813 O MET A 58 8.377 10.168 -7.099 1.00 0.00 O ATOM 814 CB MET A 58 6.652 8.929 -4.951 1.00 0.00 C ATOM 815 CG MET A 58 7.616 8.306 -3.955 1.00 0.00 C ATOM 816 SD MET A 58 9.019 9.375 -3.583 1.00 0.00 S ATOM 817 CE MET A 58 9.103 9.217 -1.801 1.00 0.00 C ATOM 0 H MET A 58 7.054 6.526 -5.574 1.00 0.00 H new ATOM 0 HA MET A 58 6.062 8.842 -7.016 1.00 0.00 H new ATOM 0 HB2 MET A 58 6.761 10.013 -4.920 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.630 8.702 -4.646 1.00 0.00 H new ATOM 0 HG2 MET A 58 7.082 8.079 -3.032 1.00 0.00 H new ATOM 0 HG3 MET A 58 7.981 7.359 -4.353 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.775 9.975 -1.400 1.00 0.00 H new ATOM 0 HE2 MET A 58 8.108 9.352 -1.376 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.477 8.227 -1.541 1.00 0.00 H new ATOM 825 N ALA A 59 9.121 8.046 -7.176 1.00 0.00 N ATOM 826 CA ALA A 59 10.435 8.410 -7.691 1.00 0.00 C ATOM 827 C ALA A 59 10.317 9.400 -8.845 1.00 0.00 C ATOM 828 O ALA A 59 11.230 10.186 -9.097 1.00 0.00 O ATOM 829 CB ALA A 59 11.190 7.166 -8.135 1.00 0.00 C ATOM 0 H ALA A 59 8.986 7.045 -7.033 1.00 0.00 H new ATOM 0 HA ALA A 59 10.992 8.893 -6.888 1.00 0.00 H new ATOM 0 HB1 ALA A 59 12.170 7.452 -8.518 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.314 6.493 -7.286 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.628 6.660 -8.920 1.00 0.00 H new ATOM 835 N THR A 60 9.187 9.356 -9.544 1.00 0.00 N ATOM 836 CA THR A 60 8.952 10.248 -10.672 1.00 0.00 C ATOM 837 C THR A 60 7.963 11.349 -10.306 1.00 0.00 C ATOM 838 O THR A 60 8.274 12.534 -10.409 1.00 0.00 O ATOM 839 CB THR A 60 8.416 9.479 -11.895 1.00 0.00 C ATOM 840 OG1 THR A 60 7.505 8.458 -11.470 1.00 0.00 O ATOM 841 CG2 THR A 60 9.557 8.851 -12.681 1.00 0.00 C ATOM 0 H THR A 60 8.421 8.712 -9.348 1.00 0.00 H new ATOM 0 HA THR A 60 9.913 10.696 -10.926 1.00 0.00 H new ATOM 0 HB THR A 60 7.895 10.185 -12.542 1.00 0.00 H new ATOM 0 HG1 THR A 60 7.167 7.975 -12.253 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.155 8.313 -13.540 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.234 9.632 -13.027 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.101 8.157 -12.041 1.00 0.00 H new ATOM 849 N GLY A 61 6.771 10.948 -9.876 1.00 0.00 N ATOM 850 CA GLY A 61 5.755 11.913 -9.501 1.00 0.00 C ATOM 851 C GLY A 61 4.415 11.264 -9.214 1.00 0.00 C ATOM 852 O GLY A 61 3.373 11.757 -9.646 1.00 0.00 O ATOM 0 H GLY A 61 6.491 9.972 -9.781 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.086 12.460 -8.618 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.638 12.642 -10.303 1.00 0.00 H new ATOM 856 N ASP A 62 4.443 10.154 -8.485 1.00 0.00 N ATOM 857 CA ASP A 62 3.220 9.436 -8.141 1.00 0.00 C ATOM 858 C ASP A 62 2.650 9.934 -6.817 1.00 0.00 C ATOM 859 O ASP A 62 1.490 10.341 -6.742 1.00 0.00 O ATOM 860 CB ASP A 62 3.494 7.933 -8.057 1.00 0.00 C ATOM 861 CG ASP A 62 3.519 7.272 -9.422 1.00 0.00 C ATOM 862 OD1 ASP A 62 4.342 7.685 -10.267 1.00 0.00 O ATOM 863 OD2 ASP A 62 2.716 6.342 -9.646 1.00 0.00 O ATOM 0 H ASP A 62 5.297 9.732 -8.121 1.00 0.00 H new ATOM 0 HA ASP A 62 2.486 9.623 -8.925 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.449 7.768 -7.559 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.728 7.461 -7.442 1.00 0.00 H new ATOM 867 N LEU A 63 3.473 9.901 -5.774 1.00 0.00 N ATOM 868 CA LEU A 63 3.051 10.349 -4.452 1.00 0.00 C ATOM 869 C LEU A 63 3.452 11.802 -4.215 1.00 0.00 C ATOM 870 O LEU A 63 3.655 12.223 -3.076 1.00 0.00 O ATOM 871 CB LEU A 63 3.661 9.457 -3.370 1.00 0.00 C ATOM 872 CG LEU A 63 3.346 7.965 -3.473 1.00 0.00 C ATOM 873 CD1 LEU A 63 3.047 7.581 -4.914 1.00 0.00 C ATOM 874 CD2 LEU A 63 4.499 7.136 -2.927 1.00 0.00 C ATOM 0 H LEU A 63 4.436 9.569 -5.819 1.00 0.00 H new ATOM 0 HA LEU A 63 1.964 10.278 -4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.744 9.582 -3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.319 9.814 -2.398 1.00 0.00 H new ATOM 0 HG LEU A 63 2.461 7.759 -2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.825 6.515 -4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.188 8.149 -5.271 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.913 7.803 -5.537 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.256 6.077 -3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.402 7.347 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.666 7.390 -1.880 1.00 0.00 H new ATOM 885 N ASP A 64 3.563 12.563 -5.298 1.00 0.00 N ATOM 886 CA ASP A 64 3.937 13.970 -5.209 1.00 0.00 C ATOM 887 C ASP A 64 2.780 14.806 -4.671 1.00 0.00 C ATOM 888 O ASP A 64 2.936 15.998 -4.403 1.00 0.00 O ATOM 889 CB ASP A 64 4.367 14.493 -6.580 1.00 0.00 C ATOM 890 CG ASP A 64 3.184 14.825 -7.469 1.00 0.00 C ATOM 891 OD1 ASP A 64 2.261 13.990 -7.565 1.00 0.00 O ATOM 892 OD2 ASP A 64 3.183 15.920 -8.069 1.00 0.00 O ATOM 0 H ASP A 64 3.399 12.229 -6.248 1.00 0.00 H new ATOM 0 HA ASP A 64 4.775 14.055 -4.518 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.981 15.384 -6.450 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.989 13.746 -7.072 1.00 0.00 H new ATOM 896 N GLN A 65 1.620 14.174 -4.518 1.00 0.00 N ATOM 897 CA GLN A 65 0.438 14.861 -4.014 1.00 0.00 C ATOM 898 C GLN A 65 0.626 15.272 -2.557 1.00 0.00 C ATOM 899 O GLN A 65 0.012 16.231 -2.087 1.00 0.00 O ATOM 900 CB GLN A 65 -0.795 13.966 -4.148 1.00 0.00 C ATOM 901 CG GLN A 65 -0.966 12.989 -2.996 1.00 0.00 C ATOM 902 CD GLN A 65 0.008 11.829 -3.064 1.00 0.00 C ATOM 903 OE1 GLN A 65 1.138 11.924 -2.584 1.00 0.00 O ATOM 904 NE2 GLN A 65 -0.425 10.726 -3.663 1.00 0.00 N ATOM 0 H GLN A 65 1.475 13.188 -4.736 1.00 0.00 H new ATOM 0 HA GLN A 65 0.291 15.761 -4.611 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.684 14.594 -4.216 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.728 13.406 -5.081 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.829 13.518 -2.053 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.985 12.603 -3.000 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.369 10.691 -4.047 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.187 9.913 -3.739 1.00 0.00 H new ATOM 911 N ASP A 66 1.477 14.540 -1.847 1.00 0.00 N ATOM 912 CA ASP A 66 1.747 14.829 -0.443 1.00 0.00 C ATOM 913 C ASP A 66 2.958 14.043 0.051 1.00 0.00 C ATOM 914 O ASP A 66 3.718 14.519 0.894 1.00 0.00 O ATOM 915 CB ASP A 66 0.524 14.494 0.413 1.00 0.00 C ATOM 916 CG ASP A 66 -0.038 15.712 1.120 1.00 0.00 C ATOM 917 OD1 ASP A 66 -0.140 16.778 0.477 1.00 0.00 O ATOM 918 OD2 ASP A 66 -0.377 15.599 2.317 1.00 0.00 O ATOM 0 H ASP A 66 1.992 13.742 -2.220 1.00 0.00 H new ATOM 0 HA ASP A 66 1.965 15.893 -0.352 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.249 14.055 -0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.797 13.741 1.153 1.00 0.00 H new ATOM 922 N GLY A 67 3.131 12.837 -0.481 1.00 0.00 N ATOM 923 CA GLY A 67 4.250 12.004 -0.082 1.00 0.00 C ATOM 924 C GLY A 67 3.811 10.760 0.665 1.00 0.00 C ATOM 925 O GLY A 67 4.566 9.794 0.774 1.00 0.00 O ATOM 0 H GLY A 67 2.516 12.422 -1.181 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.815 11.712 -0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.924 12.584 0.549 1.00 0.00 H new ATOM 929 N ARG A 68 2.587 10.783 1.181 1.00 0.00 N ATOM 930 CA ARG A 68 2.049 9.650 1.924 1.00 0.00 C ATOM 931 C ARG A 68 1.501 8.589 0.974 1.00 0.00 C ATOM 932 O ARG A 68 1.733 8.644 -0.234 1.00 0.00 O ATOM 933 CB ARG A 68 0.946 10.114 2.877 1.00 0.00 C ATOM 934 CG ARG A 68 1.281 11.400 3.615 1.00 0.00 C ATOM 935 CD ARG A 68 2.642 11.319 4.288 1.00 0.00 C ATOM 936 NE ARG A 68 2.704 12.135 5.497 1.00 0.00 N ATOM 937 CZ ARG A 68 3.839 12.452 6.112 1.00 0.00 C ATOM 938 NH1 ARG A 68 4.999 12.025 5.632 1.00 0.00 N ATOM 939 NH2 ARG A 68 3.814 13.198 7.209 1.00 0.00 N ATOM 0 H ARG A 68 1.949 11.574 1.098 1.00 0.00 H new ATOM 0 HA ARG A 68 2.860 9.211 2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.026 10.259 2.311 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.752 9.327 3.606 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.269 12.236 2.915 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.515 11.601 4.364 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.861 10.281 4.540 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.412 11.647 3.590 1.00 0.00 H new ATOM 0 HE ARG A 68 1.829 12.481 5.891 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.022 11.452 4.789 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.868 12.270 6.106 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.924 13.529 7.581 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.685 13.441 7.681 1.00 0.00 H new ATOM 950 N ILE A 69 0.777 7.623 1.529 1.00 0.00 N ATOM 951 CA ILE A 69 0.196 6.549 0.732 1.00 0.00 C ATOM 952 C ILE A 69 -1.151 6.113 1.296 1.00 0.00 C ATOM 953 O ILE A 69 -1.228 5.579 2.402 1.00 0.00 O ATOM 954 CB ILE A 69 1.133 5.329 0.664 1.00 0.00 C ATOM 955 CG1 ILE A 69 2.555 5.767 0.307 1.00 0.00 C ATOM 956 CG2 ILE A 69 0.614 4.318 -0.348 1.00 0.00 C ATOM 957 CD1 ILE A 69 3.584 4.671 0.467 1.00 0.00 C ATOM 0 H ILE A 69 0.579 7.562 2.528 1.00 0.00 H new ATOM 0 HA ILE A 69 0.054 6.943 -0.274 1.00 0.00 H new ATOM 0 HB ILE A 69 1.156 4.854 1.645 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.569 6.120 -0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.835 6.612 0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.287 3.461 -0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.381 3.985 -0.052 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.564 4.782 -1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.568 5.054 0.196 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.598 4.334 1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.329 3.834 -0.183 1.00 0.00 H new ATOM 968 N SER A 70 -2.211 6.341 0.527 1.00 0.00 N ATOM 969 CA SER A 70 -3.557 5.972 0.950 1.00 0.00 C ATOM 970 C SER A 70 -3.848 4.511 0.621 1.00 0.00 C ATOM 971 O SER A 70 -3.234 3.929 -0.274 1.00 0.00 O ATOM 972 CB SER A 70 -4.591 6.875 0.277 1.00 0.00 C ATOM 973 OG SER A 70 -5.243 6.200 -0.785 1.00 0.00 O ATOM 0 H SER A 70 -2.164 6.780 -0.393 1.00 0.00 H new ATOM 0 HA SER A 70 -3.621 6.102 2.030 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.327 7.200 1.012 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.102 7.772 -0.104 1.00 0.00 H new ATOM 0 HG SER A 70 -5.900 6.798 -1.198 1.00 0.00 H new ATOM 978 N PHE A 71 -4.790 3.923 1.352 1.00 0.00 N ATOM 979 CA PHE A 71 -5.164 2.529 1.140 1.00 0.00 C ATOM 980 C PHE A 71 -5.324 2.231 -0.347 1.00 0.00 C ATOM 981 O PHE A 71 -4.975 1.146 -0.815 1.00 0.00 O ATOM 982 CB PHE A 71 -6.465 2.211 1.878 1.00 0.00 C ATOM 983 CG PHE A 71 -6.750 0.740 1.983 1.00 0.00 C ATOM 984 CD1 PHE A 71 -8.051 0.266 1.923 1.00 0.00 C ATOM 985 CD2 PHE A 71 -5.717 -0.170 2.141 1.00 0.00 C ATOM 986 CE1 PHE A 71 -8.317 -1.087 2.019 1.00 0.00 C ATOM 987 CE2 PHE A 71 -5.976 -1.524 2.237 1.00 0.00 C ATOM 988 CZ PHE A 71 -7.278 -1.983 2.176 1.00 0.00 C ATOM 0 H PHE A 71 -5.308 4.390 2.096 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.367 1.900 1.536 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.418 2.636 2.880 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.294 2.698 1.364 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.867 0.962 1.800 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.698 0.183 2.190 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -9.336 -1.443 1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.162 -2.223 2.360 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.483 -3.041 2.251 1.00 0.00 H new ATOM 997 N ASP A 72 -5.855 3.198 -1.087 1.00 0.00 N ATOM 998 CA ASP A 72 -6.061 3.040 -2.521 1.00 0.00 C ATOM 999 C ASP A 72 -4.759 2.656 -3.218 1.00 0.00 C ATOM 1000 O ASP A 72 -4.707 1.674 -3.957 1.00 0.00 O ATOM 1001 CB ASP A 72 -6.615 4.331 -3.124 1.00 0.00 C ATOM 1002 CG ASP A 72 -8.044 4.603 -2.697 1.00 0.00 C ATOM 1003 OD1 ASP A 72 -8.477 4.030 -1.674 1.00 0.00 O ATOM 1004 OD2 ASP A 72 -8.730 5.388 -3.385 1.00 0.00 O ATOM 0 H ASP A 72 -6.151 4.101 -0.716 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.784 2.238 -2.673 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.984 5.168 -2.825 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.569 4.270 -4.211 1.00 0.00 H new ATOM 1008 N GLU A 73 -3.712 3.439 -2.978 1.00 0.00 N ATOM 1009 CA GLU A 73 -2.412 3.181 -3.585 1.00 0.00 C ATOM 1010 C GLU A 73 -1.904 1.791 -3.213 1.00 0.00 C ATOM 1011 O GLU A 73 -1.423 1.044 -4.067 1.00 0.00 O ATOM 1012 CB GLU A 73 -1.399 4.241 -3.143 1.00 0.00 C ATOM 1013 CG GLU A 73 -1.174 5.333 -4.175 1.00 0.00 C ATOM 1014 CD GLU A 73 -1.978 6.586 -3.884 1.00 0.00 C ATOM 1015 OE1 GLU A 73 -2.458 7.219 -4.848 1.00 0.00 O ATOM 1016 OE2 GLU A 73 -2.127 6.932 -2.694 1.00 0.00 O ATOM 0 H GLU A 73 -3.739 4.256 -2.368 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.529 3.229 -4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.743 4.696 -2.214 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.448 3.755 -2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.114 5.585 -4.206 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.441 4.955 -5.162 1.00 0.00 H new ATOM 1021 N PHE A 74 -2.013 1.450 -1.933 1.00 0.00 N ATOM 1022 CA PHE A 74 -1.563 0.151 -1.447 1.00 0.00 C ATOM 1023 C PHE A 74 -2.180 -0.980 -2.266 1.00 0.00 C ATOM 1024 O PHE A 74 -1.473 -1.855 -2.764 1.00 0.00 O ATOM 1025 CB PHE A 74 -1.925 -0.017 0.030 1.00 0.00 C ATOM 1026 CG PHE A 74 -1.737 -1.419 0.538 1.00 0.00 C ATOM 1027 CD1 PHE A 74 -2.680 -2.398 0.274 1.00 0.00 C ATOM 1028 CD2 PHE A 74 -0.614 -1.756 1.279 1.00 0.00 C ATOM 1029 CE1 PHE A 74 -2.509 -3.689 0.739 1.00 0.00 C ATOM 1030 CE2 PHE A 74 -0.438 -3.045 1.745 1.00 0.00 C ATOM 1031 CZ PHE A 74 -1.387 -4.011 1.477 1.00 0.00 C ATOM 0 H PHE A 74 -2.409 2.055 -1.214 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.479 0.105 -1.556 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.314 0.662 0.625 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.964 0.278 0.177 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.559 -2.150 -0.302 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.130 -1.004 1.494 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.251 -4.444 0.525 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.442 -3.297 2.319 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.252 -5.018 1.844 1.00 0.00 H new ATOM 1040 N ILE A 75 -3.502 -0.952 -2.399 1.00 0.00 N ATOM 1041 CA ILE A 75 -4.215 -1.973 -3.157 1.00 0.00 C ATOM 1042 C ILE A 75 -3.706 -2.046 -4.592 1.00 0.00 C ATOM 1043 O ILE A 75 -3.259 -3.097 -5.052 1.00 0.00 O ATOM 1044 CB ILE A 75 -5.731 -1.706 -3.173 1.00 0.00 C ATOM 1045 CG1 ILE A 75 -6.289 -1.719 -1.749 1.00 0.00 C ATOM 1046 CG2 ILE A 75 -6.441 -2.738 -4.037 1.00 0.00 C ATOM 1047 CD1 ILE A 75 -6.059 -3.027 -1.023 1.00 0.00 C ATOM 0 H ILE A 75 -4.101 -0.234 -1.992 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.029 -2.925 -2.659 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.907 -0.719 -3.602 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.830 -0.911 -1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.359 -1.516 -1.785 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.512 -2.536 -4.039 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.060 -2.683 -5.057 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.260 -3.735 -3.635 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.480 -2.965 -0.020 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.542 -3.837 -1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.989 -3.223 -0.956 1.00 0.00 H new ATOM 1058 N LYS A 76 -3.777 -0.922 -5.297 1.00 0.00 N ATOM 1059 CA LYS A 76 -3.322 -0.855 -6.681 1.00 0.00 C ATOM 1060 C LYS A 76 -1.897 -1.384 -6.811 1.00 0.00 C ATOM 1061 O LYS A 76 -1.534 -1.974 -7.829 1.00 0.00 O ATOM 1062 CB LYS A 76 -3.393 0.584 -7.194 1.00 0.00 C ATOM 1063 CG LYS A 76 -3.836 0.693 -8.643 1.00 0.00 C ATOM 1064 CD LYS A 76 -5.257 1.221 -8.753 1.00 0.00 C ATOM 1065 CE LYS A 76 -5.313 2.722 -8.513 1.00 0.00 C ATOM 1066 NZ LYS A 76 -5.739 3.045 -7.122 1.00 0.00 N ATOM 0 H LYS A 76 -4.146 -0.044 -4.932 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.979 -1.481 -7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.083 1.150 -6.568 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.412 1.048 -7.087 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.158 1.354 -9.183 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.773 -0.286 -9.119 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -5.655 0.994 -9.742 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.893 0.712 -8.029 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.332 3.157 -8.703 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -6.006 3.178 -9.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.272 3.938 -7.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -6.343 2.281 -6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.900 3.142 -6.516 1.00 0.00 H new ATOM 1076 N ILE A 77 -1.095 -1.169 -5.774 1.00 0.00 N ATOM 1077 CA ILE A 77 0.290 -1.626 -5.771 1.00 0.00 C ATOM 1078 C ILE A 77 0.372 -3.128 -5.523 1.00 0.00 C ATOM 1079 O ILE A 77 1.171 -3.828 -6.146 1.00 0.00 O ATOM 1080 CB ILE A 77 1.122 -0.893 -4.703 1.00 0.00 C ATOM 1081 CG1 ILE A 77 1.243 0.592 -5.049 1.00 0.00 C ATOM 1082 CG2 ILE A 77 2.500 -1.528 -4.578 1.00 0.00 C ATOM 1083 CD1 ILE A 77 1.431 1.481 -3.840 1.00 0.00 C ATOM 0 H ILE A 77 -1.380 -0.681 -4.925 1.00 0.00 H new ATOM 0 HA ILE A 77 0.700 -1.400 -6.756 1.00 0.00 H new ATOM 0 HB ILE A 77 0.613 -0.982 -3.743 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.085 0.731 -5.727 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.347 0.906 -5.585 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.077 -0.999 -3.819 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.394 -2.574 -4.290 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.017 -1.466 -5.535 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.509 2.520 -4.161 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.577 1.371 -3.171 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.342 1.194 -3.315 1.00 0.00 H new ATOM 1094 N PHE A 78 -0.460 -3.618 -4.610 1.00 0.00 N ATOM 1095 CA PHE A 78 -0.482 -5.037 -4.279 1.00 0.00 C ATOM 1096 C PHE A 78 -1.012 -5.861 -5.451 1.00 0.00 C ATOM 1097 O PHE A 78 -0.521 -6.956 -5.726 1.00 0.00 O ATOM 1098 CB PHE A 78 -1.345 -5.281 -3.039 1.00 0.00 C ATOM 1099 CG PHE A 78 -1.434 -6.728 -2.645 1.00 0.00 C ATOM 1100 CD1 PHE A 78 -0.317 -7.546 -2.706 1.00 0.00 C ATOM 1101 CD2 PHE A 78 -2.635 -7.269 -2.216 1.00 0.00 C ATOM 1102 CE1 PHE A 78 -0.397 -8.878 -2.344 1.00 0.00 C ATOM 1103 CE2 PHE A 78 -2.720 -8.600 -1.852 1.00 0.00 C ATOM 1104 CZ PHE A 78 -1.599 -9.405 -1.917 1.00 0.00 C ATOM 0 H PHE A 78 -1.128 -3.053 -4.086 1.00 0.00 H new ATOM 0 HA PHE A 78 0.540 -5.351 -4.069 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.938 -4.710 -2.205 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.350 -4.901 -3.225 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.626 -7.139 -3.040 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.514 -6.644 -2.165 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.480 -9.506 -2.395 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.661 -9.010 -1.517 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.663 -10.445 -1.634 1.00 0.00 H new ATOM 1113 N HIS A 79 -2.017 -5.325 -6.136 1.00 0.00 N ATOM 1114 CA HIS A 79 -2.613 -6.009 -7.277 1.00 0.00 C ATOM 1115 C HIS A 79 -1.754 -5.834 -8.525 1.00 0.00 C ATOM 1116 O HIS A 79 -1.660 -6.735 -9.358 1.00 0.00 O ATOM 1117 CB HIS A 79 -4.023 -5.478 -7.536 1.00 0.00 C ATOM 1118 CG HIS A 79 -5.061 -6.555 -7.633 1.00 0.00 C ATOM 1119 ND1 HIS A 79 -5.625 -6.952 -8.827 1.00 0.00 N ATOM 1120 CD2 HIS A 79 -5.633 -7.321 -6.675 1.00 0.00 C ATOM 1121 CE1 HIS A 79 -6.502 -7.913 -8.599 1.00 0.00 C ATOM 1122 NE2 HIS A 79 -6.525 -8.156 -7.301 1.00 0.00 N ATOM 0 H HIS A 79 -2.435 -4.420 -5.921 1.00 0.00 H new ATOM 0 HA HIS A 79 -2.670 -7.072 -7.043 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.297 -4.792 -6.734 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.021 -4.902 -8.462 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.426 -7.283 -5.616 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.099 -8.415 -9.347 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -7.111 -8.851 -6.839 1.00 0.00 H new ATOM 1129 N GLY A 80 -1.128 -4.667 -8.649 1.00 0.00 N ATOM 1130 CA GLY A 80 -0.285 -4.396 -9.799 1.00 0.00 C ATOM 1131 C GLY A 80 -1.024 -3.657 -10.896 1.00 0.00 C ATOM 1132 O GLY A 80 -1.027 -4.087 -12.051 1.00 0.00 O ATOM 0 H GLY A 80 -1.190 -3.905 -7.974 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.576 -3.807 -9.484 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.100 -5.336 -10.194 1.00 0.00 H new ATOM 1136 N LEU A 81 -1.653 -2.543 -10.538 1.00 0.00 N ATOM 1137 CA LEU A 81 -2.401 -1.742 -11.502 1.00 0.00 C ATOM 1138 C LEU A 81 -2.195 -0.253 -11.249 1.00 0.00 C ATOM 1139 O LEU A 81 -1.511 0.139 -10.303 1.00 0.00 O ATOM 1140 CB LEU A 81 -3.890 -2.083 -11.431 1.00 0.00 C ATOM 1141 CG LEU A 81 -4.291 -3.459 -11.964 1.00 0.00 C ATOM 1142 CD1 LEU A 81 -5.133 -4.204 -10.940 1.00 0.00 C ATOM 1143 CD2 LEU A 81 -5.044 -3.323 -13.280 1.00 0.00 C ATOM 0 H LEU A 81 -1.660 -2.173 -9.587 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.028 -1.976 -12.499 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.209 -2.011 -10.391 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.442 -1.325 -11.987 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.384 -4.035 -12.146 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.409 -5.181 -11.337 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.559 -4.334 -10.022 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.035 -3.632 -10.725 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.321 -4.312 -13.644 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.944 -2.728 -13.124 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.407 -2.831 -14.015 1.00 0.00 H new ATOM 1154 N LYS A 82 -2.792 0.575 -12.099 1.00 0.00 N ATOM 1155 CA LYS A 82 -2.679 2.023 -11.967 1.00 0.00 C ATOM 1156 C LYS A 82 -4.001 2.633 -11.516 1.00 0.00 C ATOM 1157 O LYS A 82 -4.028 3.708 -10.916 1.00 0.00 O ATOM 1158 CB LYS A 82 -2.244 2.644 -13.296 1.00 0.00 C ATOM 1159 CG LYS A 82 -1.032 1.970 -13.915 1.00 0.00 C ATOM 1160 CD LYS A 82 0.159 1.991 -12.974 1.00 0.00 C ATOM 1161 CE LYS A 82 1.475 1.964 -13.737 1.00 0.00 C ATOM 1162 NZ LYS A 82 2.042 3.329 -13.915 1.00 0.00 N ATOM 0 H LYS A 82 -3.360 0.268 -12.888 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.925 2.236 -11.210 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.075 2.595 -13.999 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -2.021 3.699 -13.139 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.278 0.939 -14.169 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.770 2.474 -14.846 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.116 2.885 -12.352 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.109 1.133 -12.303 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.192 1.340 -13.203 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.319 1.506 -14.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.938 3.267 -14.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.370 3.918 -14.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.215 3.757 -12.983 1.00 0.00 H new TER 1172 LYS A 82