USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 736 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 NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 70 HIS HD1 : A 70 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 59 GLN : amide:sc= 0.836 K(o=0.84,f=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.151 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN :FLIP amide:sc= -0.708 F(o=-2.1,f=-0.71) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 35:sc= 0.516 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HE2:sc= -3.59! C(o=-3.6!,f=-4.4!) USER MOD Single : A 35 ASN : amide:sc= -1.32 K(o=-1.3,f=-3.3) USER MOD Single : A 36 ASN : amide:sc= -0.937 K(o=-0.94,f=-4!) USER MOD Single : A 38 LYS NZ :NH3+ 140:sc= -0.288 (180deg=-1.2) USER MOD Single : A 39 GLN : amide:sc= -0.0411 X(o=-0.041,f=-0.36) USER MOD Single : A 45 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0114) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.651) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.837 USER MOD Single : A 55 TYR OH : rot 30:sc= 0.145 USER MOD Single : A 56 HIS : no HD1:sc= -3.77 K(o=-3.8,f=-6.4!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 89:sc= 0.259 USER MOD Single : A 77 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.113) USER MOD Single : A 79 ASN : amide:sc= -0.119 K(o=-0.12,f=-0.62) USER MOD Single : A 80 GLN : amide:sc= -2.33! C(o=-2.3!,f=-3!) USER MOD Single : A 81 LYS NZ :NH3+ -155:sc= -0.0992 (180deg=-0.658) USER MOD Single : A 84 SER OG : rot 36:sc= 0.64 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0518 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.380 0.130 -66.416 1.00 0.00 N ATOM 2 CA GLY A 1 0.544 1.416 -65.765 1.00 0.00 C ATOM 3 C GLY A 1 -0.185 1.492 -64.438 1.00 0.00 C ATOM 4 O GLY A 1 -1.403 1.664 -64.400 1.00 0.00 O ATOM 0 H1 GLY A 1 0.897 0.129 -67.318 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.755 -0.621 -65.801 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.630 -0.042 -66.596 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.605 1.605 -65.604 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.176 2.203 -66.424 1.00 0.00 H new ATOM 8 N SER A 2 0.562 1.361 -63.347 1.00 0.00 N ATOM 9 CA SER A 2 -0.021 1.409 -62.011 1.00 0.00 C ATOM 10 C SER A 2 1.012 1.859 -60.983 1.00 0.00 C ATOM 11 O SER A 2 2.212 1.873 -61.258 1.00 0.00 O ATOM 12 CB SER A 2 -0.579 0.038 -61.625 1.00 0.00 C ATOM 13 OG SER A 2 -1.189 0.077 -60.347 1.00 0.00 O ATOM 0 H SER A 2 1.572 1.221 -63.362 1.00 0.00 H new ATOM 0 HA SER A 2 -0.835 2.134 -62.023 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.307 -0.284 -62.369 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.225 -0.698 -61.625 1.00 0.00 H new ATOM 0 HG SER A 2 -1.539 -0.811 -60.124 1.00 0.00 H new ATOM 19 N SER A 3 0.537 2.225 -59.797 1.00 0.00 N ATOM 20 CA SER A 3 1.418 2.679 -58.727 1.00 0.00 C ATOM 21 C SER A 3 1.831 1.514 -57.833 1.00 0.00 C ATOM 22 O SER A 3 1.021 0.646 -57.512 1.00 0.00 O ATOM 23 CB SER A 3 0.727 3.759 -57.892 1.00 0.00 C ATOM 24 OG SER A 3 0.872 5.036 -58.488 1.00 0.00 O ATOM 0 H SER A 3 -0.453 2.216 -59.553 1.00 0.00 H new ATOM 0 HA SER A 3 2.314 3.101 -59.182 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.332 3.521 -57.788 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.150 3.773 -56.888 1.00 0.00 H new ATOM 0 HG SER A 3 0.420 5.708 -57.936 1.00 0.00 H new ATOM 30 N GLY A 4 3.100 1.504 -57.433 1.00 0.00 N ATOM 31 CA GLY A 4 3.600 0.442 -56.580 1.00 0.00 C ATOM 32 C GLY A 4 4.436 0.968 -55.430 1.00 0.00 C ATOM 33 O GLY A 4 4.998 2.060 -55.511 1.00 0.00 O ATOM 0 H GLY A 4 3.790 2.212 -57.685 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.760 -0.128 -56.184 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.199 -0.247 -57.176 1.00 0.00 H new ATOM 37 N SER A 5 4.519 0.189 -54.356 1.00 0.00 N ATOM 38 CA SER A 5 5.288 0.585 -53.182 1.00 0.00 C ATOM 39 C SER A 5 5.639 -0.629 -52.328 1.00 0.00 C ATOM 40 O SER A 5 4.792 -1.484 -52.067 1.00 0.00 O ATOM 41 CB SER A 5 4.503 1.600 -52.350 1.00 0.00 C ATOM 42 OG SER A 5 5.140 1.842 -51.107 1.00 0.00 O ATOM 0 H SER A 5 4.063 -0.720 -54.275 1.00 0.00 H new ATOM 0 HA SER A 5 6.214 1.047 -53.524 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.411 2.535 -52.903 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.492 1.230 -52.178 1.00 0.00 H new ATOM 0 HG SER A 5 4.620 2.495 -50.595 1.00 0.00 H new ATOM 48 N SER A 6 6.893 -0.698 -51.894 1.00 0.00 N ATOM 49 CA SER A 6 7.359 -1.808 -51.072 1.00 0.00 C ATOM 50 C SER A 6 8.795 -1.579 -50.611 1.00 0.00 C ATOM 51 O SER A 6 9.531 -0.793 -51.205 1.00 0.00 O ATOM 52 CB SER A 6 7.264 -3.122 -51.851 1.00 0.00 C ATOM 53 OG SER A 6 7.400 -4.237 -50.988 1.00 0.00 O ATOM 0 H SER A 6 7.605 0.003 -52.098 1.00 0.00 H new ATOM 0 HA SER A 6 6.720 -1.869 -50.191 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.306 -3.173 -52.368 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.041 -3.153 -52.615 1.00 0.00 H new ATOM 0 HG SER A 6 7.334 -5.064 -51.509 1.00 0.00 H new ATOM 59 N GLY A 7 9.186 -2.273 -49.547 1.00 0.00 N ATOM 60 CA GLY A 7 10.532 -2.132 -49.023 1.00 0.00 C ATOM 61 C GLY A 7 10.857 -3.172 -47.969 1.00 0.00 C ATOM 62 O GLY A 7 10.191 -4.205 -47.880 1.00 0.00 O ATOM 0 H GLY A 7 8.595 -2.930 -49.038 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.247 -2.213 -49.841 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.649 -1.137 -48.595 1.00 0.00 H new ATOM 66 N LEU A 8 11.883 -2.903 -47.170 1.00 0.00 N ATOM 67 CA LEU A 8 12.296 -3.824 -46.117 1.00 0.00 C ATOM 68 C LEU A 8 12.825 -3.065 -44.905 1.00 0.00 C ATOM 69 O LEU A 8 13.523 -2.061 -45.047 1.00 0.00 O ATOM 70 CB LEU A 8 13.367 -4.781 -46.642 1.00 0.00 C ATOM 71 CG LEU A 8 14.775 -4.201 -46.784 1.00 0.00 C ATOM 72 CD1 LEU A 8 15.556 -4.375 -45.491 1.00 0.00 C ATOM 73 CD2 LEU A 8 15.508 -4.856 -47.945 1.00 0.00 C ATOM 0 H LEU A 8 12.445 -2.054 -47.231 1.00 0.00 H new ATOM 0 HA LEU A 8 11.423 -4.399 -45.808 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.416 -5.641 -45.974 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.048 -5.151 -47.616 1.00 0.00 H new ATOM 0 HG LEU A 8 14.689 -3.134 -46.992 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.555 -3.957 -45.610 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.040 -3.858 -44.682 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.633 -5.436 -45.252 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.508 -4.431 -48.030 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.584 -5.929 -47.768 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.958 -4.678 -48.869 1.00 0.00 H new ATOM 85 N GLU A 9 12.490 -3.553 -43.715 1.00 0.00 N ATOM 86 CA GLU A 9 12.934 -2.920 -42.478 1.00 0.00 C ATOM 87 C GLU A 9 12.979 -3.931 -41.336 1.00 0.00 C ATOM 88 O GLU A 9 12.340 -4.980 -41.398 1.00 0.00 O ATOM 89 CB GLU A 9 12.006 -1.760 -42.112 1.00 0.00 C ATOM 90 CG GLU A 9 12.435 -0.428 -42.704 1.00 0.00 C ATOM 91 CD GLU A 9 11.923 -0.226 -44.117 1.00 0.00 C ATOM 92 OE1 GLU A 9 10.738 -0.528 -44.367 1.00 0.00 O ATOM 93 OE2 GLU A 9 12.708 0.233 -44.972 1.00 0.00 O ATOM 0 H GLU A 9 11.913 -4.384 -43.581 1.00 0.00 H new ATOM 0 HA GLU A 9 13.941 -2.534 -42.638 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.997 -1.991 -42.453 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.963 -1.669 -41.027 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.071 0.381 -42.071 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.523 -0.368 -42.704 1.00 0.00 H new ATOM 100 N GLU A 10 13.738 -3.604 -40.295 1.00 0.00 N ATOM 101 CA GLU A 10 13.868 -4.484 -39.139 1.00 0.00 C ATOM 102 C GLU A 10 13.119 -3.916 -37.936 1.00 0.00 C ATOM 103 O GLU A 10 12.649 -2.779 -37.964 1.00 0.00 O ATOM 104 CB GLU A 10 15.343 -4.686 -38.786 1.00 0.00 C ATOM 105 CG GLU A 10 16.041 -3.414 -38.336 1.00 0.00 C ATOM 106 CD GLU A 10 17.452 -3.666 -37.841 1.00 0.00 C ATOM 107 OE1 GLU A 10 18.160 -4.486 -38.462 1.00 0.00 O ATOM 108 OE2 GLU A 10 17.847 -3.044 -36.833 1.00 0.00 O ATOM 0 H GLU A 10 14.272 -2.737 -40.228 1.00 0.00 H new ATOM 0 HA GLU A 10 13.429 -5.448 -39.397 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.420 -5.432 -37.995 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.864 -5.088 -39.655 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.072 -2.708 -39.166 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.459 -2.947 -37.541 1.00 0.00 H new ATOM 115 N PHE A 11 13.012 -4.717 -36.882 1.00 0.00 N ATOM 116 CA PHE A 11 12.319 -4.296 -35.669 1.00 0.00 C ATOM 117 C PHE A 11 13.186 -4.537 -34.436 1.00 0.00 C ATOM 118 O PHE A 11 14.335 -4.964 -34.545 1.00 0.00 O ATOM 119 CB PHE A 11 10.993 -5.045 -35.528 1.00 0.00 C ATOM 120 CG PHE A 11 11.119 -6.530 -35.722 1.00 0.00 C ATOM 121 CD1 PHE A 11 11.091 -7.080 -36.993 1.00 0.00 C ATOM 122 CD2 PHE A 11 11.264 -7.374 -34.633 1.00 0.00 C ATOM 123 CE1 PHE A 11 11.207 -8.446 -37.175 1.00 0.00 C ATOM 124 CE2 PHE A 11 11.381 -8.740 -34.809 1.00 0.00 C ATOM 125 CZ PHE A 11 11.351 -9.276 -36.081 1.00 0.00 C ATOM 0 H PHE A 11 13.396 -5.661 -36.842 1.00 0.00 H new ATOM 0 HA PHE A 11 12.118 -3.228 -35.747 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.578 -4.850 -34.539 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.283 -4.651 -36.255 1.00 0.00 H new ATOM 0 HD1 PHE A 11 10.977 -6.435 -37.852 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.286 -6.960 -33.636 1.00 0.00 H new ATOM 0 HE1 PHE A 11 11.185 -8.863 -38.171 1.00 0.00 H new ATOM 0 HE2 PHE A 11 11.496 -9.387 -33.952 1.00 0.00 H new ATOM 0 HZ PHE A 11 11.440 -10.343 -36.220 1.00 0.00 H new ATOM 135 N LYS A 12 12.626 -4.259 -33.264 1.00 0.00 N ATOM 136 CA LYS A 12 13.345 -4.445 -32.009 1.00 0.00 C ATOM 137 C LYS A 12 12.436 -4.169 -30.815 1.00 0.00 C ATOM 138 O LYS A 12 11.330 -3.654 -30.972 1.00 0.00 O ATOM 139 CB LYS A 12 14.567 -3.525 -31.956 1.00 0.00 C ATOM 140 CG LYS A 12 14.225 -2.076 -31.656 1.00 0.00 C ATOM 141 CD LYS A 12 14.053 -1.268 -32.931 1.00 0.00 C ATOM 142 CE LYS A 12 12.590 -1.170 -33.336 1.00 0.00 C ATOM 143 NZ LYS A 12 12.368 -0.115 -34.363 1.00 0.00 N ATOM 0 H LYS A 12 11.676 -3.904 -33.157 1.00 0.00 H new ATOM 0 HA LYS A 12 13.676 -5.482 -31.959 1.00 0.00 H new ATOM 0 HB2 LYS A 12 15.255 -3.892 -31.195 1.00 0.00 H new ATOM 0 HB3 LYS A 12 15.091 -3.576 -32.910 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.307 -2.032 -31.070 1.00 0.00 H new ATOM 0 HG3 LYS A 12 15.014 -1.634 -31.047 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.459 -0.267 -32.786 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.624 -1.731 -33.736 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.256 -2.132 -33.725 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.983 -0.954 -32.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.359 -0.080 -34.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.663 0.807 -33.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.927 -0.334 -35.212 1.00 0.00 H new ATOM 157 N ASN A 13 12.911 -4.514 -29.623 1.00 0.00 N ATOM 158 CA ASN A 13 12.141 -4.303 -28.403 1.00 0.00 C ATOM 159 C ASN A 13 13.049 -3.868 -27.256 1.00 0.00 C ATOM 160 O ASN A 13 14.265 -4.048 -27.311 1.00 0.00 O ATOM 161 CB ASN A 13 11.393 -5.581 -28.020 1.00 0.00 C ATOM 162 CG ASN A 13 10.418 -6.024 -29.094 1.00 0.00 C ATOM 163 OD1 ASN A 13 10.947 -6.546 -30.194 1.00 0.00 O flip ATOM 164 ND2 ASN A 13 9.203 -5.899 -28.935 1.00 0.00 N flip ATOM 0 H ASN A 13 13.826 -4.941 -29.476 1.00 0.00 H new ATOM 0 HA ASN A 13 11.418 -3.510 -28.591 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.113 -6.378 -27.835 1.00 0.00 H new ATOM 0 HB3 ASN A 13 10.853 -5.417 -27.088 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.841 -5.492 -28.073 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.559 -6.202 -29.666 1.00 0.00 H new ATOM 171 N SER A 14 12.447 -3.297 -26.217 1.00 0.00 N ATOM 172 CA SER A 14 13.201 -2.833 -25.058 1.00 0.00 C ATOM 173 C SER A 14 12.262 -2.344 -23.960 1.00 0.00 C ATOM 174 O SER A 14 11.082 -2.092 -24.204 1.00 0.00 O ATOM 175 CB SER A 14 14.160 -1.712 -25.461 1.00 0.00 C ATOM 176 OG SER A 14 13.463 -0.639 -26.070 1.00 0.00 O ATOM 0 H SER A 14 11.440 -3.145 -26.154 1.00 0.00 H new ATOM 0 HA SER A 14 13.778 -3.673 -24.672 1.00 0.00 H new ATOM 0 HB2 SER A 14 14.693 -1.351 -24.581 1.00 0.00 H new ATOM 0 HB3 SER A 14 14.910 -2.101 -26.150 1.00 0.00 H new ATOM 0 HG SER A 14 14.098 0.065 -26.317 1.00 0.00 H new ATOM 182 N SER A 15 12.794 -2.213 -22.749 1.00 0.00 N ATOM 183 CA SER A 15 12.004 -1.758 -21.611 1.00 0.00 C ATOM 184 C SER A 15 12.905 -1.398 -20.433 1.00 0.00 C ATOM 185 O SER A 15 13.589 -2.256 -19.875 1.00 0.00 O ATOM 186 CB SER A 15 11.005 -2.838 -21.193 1.00 0.00 C ATOM 187 OG SER A 15 11.669 -4.037 -20.836 1.00 0.00 O ATOM 0 H SER A 15 13.770 -2.416 -22.531 1.00 0.00 H new ATOM 0 HA SER A 15 11.457 -0.865 -21.913 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.412 -2.482 -20.350 1.00 0.00 H new ATOM 0 HB3 SER A 15 10.312 -3.033 -22.011 1.00 0.00 H new ATOM 0 HG SER A 15 12.522 -3.822 -20.403 1.00 0.00 H new ATOM 193 N LYS A 16 12.898 -0.123 -20.060 1.00 0.00 N ATOM 194 CA LYS A 16 13.712 0.353 -18.947 1.00 0.00 C ATOM 195 C LYS A 16 12.942 1.362 -18.102 1.00 0.00 C ATOM 196 O LYS A 16 11.873 1.830 -18.496 1.00 0.00 O ATOM 197 CB LYS A 16 15.004 0.988 -19.469 1.00 0.00 C ATOM 198 CG LYS A 16 16.139 -0.005 -19.651 1.00 0.00 C ATOM 199 CD LYS A 16 17.248 0.570 -20.517 1.00 0.00 C ATOM 200 CE LYS A 16 18.122 -0.528 -21.104 1.00 0.00 C ATOM 201 NZ LYS A 16 19.062 -1.089 -20.094 1.00 0.00 N ATOM 0 H LYS A 16 12.338 0.600 -20.512 1.00 0.00 H new ATOM 0 HA LYS A 16 13.962 -0.503 -18.320 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.801 1.474 -20.423 1.00 0.00 H new ATOM 0 HB3 LYS A 16 15.322 1.767 -18.776 1.00 0.00 H new ATOM 0 HG2 LYS A 16 16.543 -0.281 -18.677 1.00 0.00 H new ATOM 0 HG3 LYS A 16 15.756 -0.918 -20.107 1.00 0.00 H new ATOM 0 HD2 LYS A 16 16.813 1.160 -21.323 1.00 0.00 H new ATOM 0 HD3 LYS A 16 17.862 1.247 -19.922 1.00 0.00 H new ATOM 0 HE2 LYS A 16 17.490 -1.326 -21.494 1.00 0.00 H new ATOM 0 HE3 LYS A 16 18.689 -0.130 -21.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 19.640 -1.834 -20.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 19.683 -0.333 -19.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.521 -1.492 -19.302 1.00 0.00 H new ATOM 215 N LEU A 17 13.492 1.695 -16.940 1.00 0.00 N ATOM 216 CA LEU A 17 12.858 2.651 -16.039 1.00 0.00 C ATOM 217 C LEU A 17 13.873 3.238 -15.064 1.00 0.00 C ATOM 218 O LEU A 17 14.668 2.512 -14.468 1.00 0.00 O ATOM 219 CB LEU A 17 11.722 1.978 -15.266 1.00 0.00 C ATOM 220 CG LEU A 17 12.145 1.028 -14.145 1.00 0.00 C ATOM 221 CD1 LEU A 17 10.934 0.576 -13.343 1.00 0.00 C ATOM 222 CD2 LEU A 17 12.888 -0.172 -14.715 1.00 0.00 C ATOM 0 H LEU A 17 14.376 1.317 -16.599 1.00 0.00 H new ATOM 0 HA LEU A 17 12.449 3.463 -16.641 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.090 2.756 -14.837 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.107 1.422 -15.974 1.00 0.00 H new ATOM 0 HG LEU A 17 12.819 1.563 -13.476 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.254 -0.099 -12.550 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.444 1.445 -12.904 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.235 0.058 -14.000 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.182 -0.837 -13.903 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.238 -0.708 -15.406 1.00 0.00 H new ATOM 0 HD23 LEU A 17 13.778 0.169 -15.244 1.00 0.00 H new ATOM 234 N VAL A 18 13.840 4.558 -14.906 1.00 0.00 N ATOM 235 CA VAL A 18 14.755 5.243 -14.001 1.00 0.00 C ATOM 236 C VAL A 18 14.000 5.908 -12.856 1.00 0.00 C ATOM 237 O VAL A 18 12.985 6.571 -13.070 1.00 0.00 O ATOM 238 CB VAL A 18 15.585 6.308 -14.742 1.00 0.00 C ATOM 239 CG1 VAL A 18 16.497 7.044 -13.772 1.00 0.00 C ATOM 240 CG2 VAL A 18 16.390 5.670 -15.864 1.00 0.00 C ATOM 0 H VAL A 18 13.189 5.174 -15.393 1.00 0.00 H new ATOM 0 HA VAL A 18 15.427 4.486 -13.597 1.00 0.00 H new ATOM 0 HB VAL A 18 14.902 7.034 -15.183 1.00 0.00 H new ATOM 0 HG11 VAL A 18 17.076 7.792 -14.313 1.00 0.00 H new ATOM 0 HG12 VAL A 18 15.895 7.534 -13.007 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.175 6.333 -13.300 1.00 0.00 H new ATOM 0 HG21 VAL A 18 16.970 6.437 -16.377 1.00 0.00 H new ATOM 0 HG22 VAL A 18 17.065 4.922 -15.448 1.00 0.00 H new ATOM 0 HG23 VAL A 18 15.712 5.193 -16.572 1.00 0.00 H new ATOM 250 N ALA A 19 14.503 5.728 -11.639 1.00 0.00 N ATOM 251 CA ALA A 19 13.878 6.313 -10.460 1.00 0.00 C ATOM 252 C ALA A 19 14.920 6.663 -9.402 1.00 0.00 C ATOM 253 O ALA A 19 15.908 5.950 -9.232 1.00 0.00 O ATOM 254 CB ALA A 19 12.839 5.361 -9.885 1.00 0.00 C ATOM 0 H ALA A 19 15.342 5.181 -11.444 1.00 0.00 H new ATOM 0 HA ALA A 19 13.382 7.235 -10.763 1.00 0.00 H new ATOM 0 HB1 ALA A 19 12.380 5.811 -9.005 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.071 5.165 -10.634 1.00 0.00 H new ATOM 0 HB3 ALA A 19 13.320 4.424 -9.604 1.00 0.00 H new ATOM 260 N ALA A 20 14.691 7.765 -8.695 1.00 0.00 N ATOM 261 CA ALA A 20 15.610 8.208 -7.654 1.00 0.00 C ATOM 262 C ALA A 20 14.855 8.612 -6.392 1.00 0.00 C ATOM 263 O ALA A 20 13.722 9.088 -6.460 1.00 0.00 O ATOM 264 CB ALA A 20 16.459 9.366 -8.157 1.00 0.00 C ATOM 0 H ALA A 20 13.878 8.367 -8.824 1.00 0.00 H new ATOM 0 HA ALA A 20 16.265 7.374 -7.403 1.00 0.00 H new ATOM 0 HB1 ALA A 20 17.141 9.687 -7.369 1.00 0.00 H new ATOM 0 HB2 ALA A 20 17.034 9.045 -9.026 1.00 0.00 H new ATOM 0 HB3 ALA A 20 15.812 10.197 -8.437 1.00 0.00 H new ATOM 270 N ALA A 21 15.490 8.419 -5.240 1.00 0.00 N ATOM 271 CA ALA A 21 14.879 8.764 -3.963 1.00 0.00 C ATOM 272 C ALA A 21 15.695 9.826 -3.233 1.00 0.00 C ATOM 273 O ALA A 21 16.810 10.151 -3.639 1.00 0.00 O ATOM 274 CB ALA A 21 14.729 7.522 -3.097 1.00 0.00 C ATOM 0 H ALA A 21 16.428 8.025 -5.166 1.00 0.00 H new ATOM 0 HA ALA A 21 13.890 9.177 -4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.271 7.795 -2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 21 14.098 6.796 -3.609 1.00 0.00 H new ATOM 0 HB3 ALA A 21 15.711 7.085 -2.915 1.00 0.00 H new ATOM 280 N GLU A 22 15.131 10.362 -2.156 1.00 0.00 N ATOM 281 CA GLU A 22 15.807 11.388 -1.371 1.00 0.00 C ATOM 282 C GLU A 22 15.644 11.126 0.123 1.00 0.00 C ATOM 283 O GLU A 22 14.896 10.237 0.532 1.00 0.00 O ATOM 284 CB GLU A 22 15.258 12.773 -1.720 1.00 0.00 C ATOM 285 CG GLU A 22 13.757 12.900 -1.523 1.00 0.00 C ATOM 286 CD GLU A 22 13.248 14.301 -1.802 1.00 0.00 C ATOM 287 OE1 GLU A 22 13.502 15.199 -0.972 1.00 0.00 O ATOM 288 OE2 GLU A 22 12.597 14.500 -2.848 1.00 0.00 O ATOM 0 H GLU A 22 14.208 10.103 -1.807 1.00 0.00 H new ATOM 0 HA GLU A 22 16.869 11.354 -1.614 1.00 0.00 H new ATOM 0 HB2 GLU A 22 15.761 13.519 -1.105 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.500 12.999 -2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.247 12.195 -2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.504 12.623 -0.500 1.00 0.00 H new ATOM 295 N LYS A 23 16.350 11.906 0.935 1.00 0.00 N ATOM 296 CA LYS A 23 16.284 11.761 2.385 1.00 0.00 C ATOM 297 C LYS A 23 15.844 13.065 3.043 1.00 0.00 C ATOM 298 O LYS A 23 16.399 13.473 4.062 1.00 0.00 O ATOM 299 CB LYS A 23 17.646 11.333 2.937 1.00 0.00 C ATOM 300 CG LYS A 23 18.110 9.979 2.427 1.00 0.00 C ATOM 301 CD LYS A 23 17.278 8.849 3.009 1.00 0.00 C ATOM 302 CE LYS A 23 17.857 8.350 4.324 1.00 0.00 C ATOM 303 NZ LYS A 23 17.189 7.102 4.786 1.00 0.00 N ATOM 0 H LYS A 23 16.975 12.645 0.613 1.00 0.00 H new ATOM 0 HA LYS A 23 15.547 10.992 2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 23 18.389 12.086 2.673 1.00 0.00 H new ATOM 0 HB3 LYS A 23 17.595 11.304 4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 23 18.045 9.957 1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 23 19.158 9.831 2.686 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.256 9.193 3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 23 17.230 8.026 2.296 1.00 0.00 H new ATOM 0 HE2 LYS A 23 18.925 8.167 4.205 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.749 9.123 5.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.612 6.794 5.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.174 7.282 4.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.314 6.357 4.072 1.00 0.00 H new ATOM 317 N GLU A 24 14.843 13.712 2.454 1.00 0.00 N ATOM 318 CA GLU A 24 14.330 14.969 2.985 1.00 0.00 C ATOM 319 C GLU A 24 12.827 14.880 3.236 1.00 0.00 C ATOM 320 O GLU A 24 12.036 14.770 2.300 1.00 0.00 O ATOM 321 CB GLU A 24 14.628 16.117 2.018 1.00 0.00 C ATOM 322 CG GLU A 24 14.770 17.466 2.701 1.00 0.00 C ATOM 323 CD GLU A 24 16.143 17.668 3.314 1.00 0.00 C ATOM 324 OE1 GLU A 24 16.694 16.693 3.866 1.00 0.00 O ATOM 325 OE2 GLU A 24 16.664 18.801 3.242 1.00 0.00 O ATOM 0 H GLU A 24 14.372 13.387 1.610 1.00 0.00 H new ATOM 0 HA GLU A 24 14.830 15.163 3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.547 15.895 1.476 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.829 16.175 1.279 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.580 18.258 1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 24 14.012 17.557 3.479 1.00 0.00 H new ATOM 332 N ARG A 25 12.443 14.927 4.508 1.00 0.00 N ATOM 333 CA ARG A 25 11.036 14.849 4.884 1.00 0.00 C ATOM 334 C ARG A 25 10.223 15.927 4.173 1.00 0.00 C ATOM 335 O ARG A 25 10.301 17.107 4.517 1.00 0.00 O ATOM 336 CB ARG A 25 10.883 14.996 6.399 1.00 0.00 C ATOM 337 CG ARG A 25 9.544 14.507 6.926 1.00 0.00 C ATOM 338 CD ARG A 25 9.361 14.857 8.394 1.00 0.00 C ATOM 339 NE ARG A 25 10.333 14.176 9.245 1.00 0.00 N ATOM 340 CZ ARG A 25 10.154 13.969 10.545 1.00 0.00 C ATOM 341 NH1 ARG A 25 9.046 14.388 11.140 1.00 0.00 N ATOM 342 NH2 ARG A 25 11.085 13.341 11.252 1.00 0.00 N ATOM 0 H ARG A 25 13.086 15.019 5.295 1.00 0.00 H new ATOM 0 HA ARG A 25 10.658 13.873 4.580 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.682 14.442 6.892 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.009 16.045 6.668 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.738 14.951 6.342 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.474 13.427 6.797 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.458 15.935 8.524 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.353 14.587 8.708 1.00 0.00 H new ATOM 0 HE ARG A 25 11.197 13.841 8.818 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.328 14.871 10.600 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.911 14.228 12.138 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.939 13.017 10.797 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.947 13.182 12.250 1.00 0.00 H new ATOM 356 N LEU A 26 9.445 15.514 3.179 1.00 0.00 N ATOM 357 CA LEU A 26 8.617 16.443 2.418 1.00 0.00 C ATOM 358 C LEU A 26 7.327 16.762 3.166 1.00 0.00 C ATOM 359 O LEU A 26 7.065 17.915 3.509 1.00 0.00 O ATOM 360 CB LEU A 26 8.291 15.859 1.042 1.00 0.00 C ATOM 361 CG LEU A 26 9.465 15.736 0.070 1.00 0.00 C ATOM 362 CD1 LEU A 26 10.140 14.381 0.216 1.00 0.00 C ATOM 363 CD2 LEU A 26 8.996 15.948 -1.362 1.00 0.00 C ATOM 0 H LEU A 26 9.370 14.541 2.881 1.00 0.00 H new ATOM 0 HA LEU A 26 9.179 17.368 2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.857 14.869 1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.525 16.480 0.578 1.00 0.00 H new ATOM 0 HG LEU A 26 10.194 16.510 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.973 14.312 -0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.511 14.267 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.420 13.591 0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.845 15.857 -2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.247 15.197 -1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.560 16.942 -1.459 1.00 0.00 H new ATOM 375 N ASP A 27 6.526 15.733 3.418 1.00 0.00 N ATOM 376 CA ASP A 27 5.264 15.902 4.129 1.00 0.00 C ATOM 377 C ASP A 27 5.473 15.807 5.637 1.00 0.00 C ATOM 378 O ASP A 27 6.586 15.572 6.107 1.00 0.00 O ATOM 379 CB ASP A 27 4.252 14.848 3.674 1.00 0.00 C ATOM 380 CG ASP A 27 3.423 15.314 2.493 1.00 0.00 C ATOM 381 OD1 ASP A 27 3.304 16.542 2.299 1.00 0.00 O ATOM 382 OD2 ASP A 27 2.893 14.450 1.764 1.00 0.00 O ATOM 0 H ASP A 27 6.728 14.773 3.140 1.00 0.00 H new ATOM 0 HA ASP A 27 4.874 16.893 3.896 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.780 13.933 3.405 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.590 14.602 4.504 1.00 0.00 H new ATOM 387 N LYS A 28 4.395 15.992 6.391 1.00 0.00 N ATOM 388 CA LYS A 28 4.458 15.927 7.846 1.00 0.00 C ATOM 389 C LYS A 28 4.294 14.491 8.335 1.00 0.00 C ATOM 390 O LYS A 28 5.242 13.881 8.831 1.00 0.00 O ATOM 391 CB LYS A 28 3.376 16.814 8.465 1.00 0.00 C ATOM 392 CG LYS A 28 3.709 17.291 9.868 1.00 0.00 C ATOM 393 CD LYS A 28 4.543 18.561 9.842 1.00 0.00 C ATOM 394 CE LYS A 28 5.973 18.280 9.407 1.00 0.00 C ATOM 395 NZ LYS A 28 6.907 19.355 9.842 1.00 0.00 N ATOM 0 H LYS A 28 3.466 16.188 6.018 1.00 0.00 H new ATOM 0 HA LYS A 28 5.438 16.289 8.158 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.218 17.681 7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.437 16.262 8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.787 17.472 10.420 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.251 16.509 10.400 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.089 19.281 9.161 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.546 19.016 10.832 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.298 17.326 9.823 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.010 18.184 8.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.871 19.126 9.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.612 20.261 9.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.891 19.430 10.879 1.00 0.00 H new ATOM 409 N HIS A 29 3.086 13.956 8.190 1.00 0.00 N ATOM 410 CA HIS A 29 2.799 12.591 8.615 1.00 0.00 C ATOM 411 C HIS A 29 4.005 11.685 8.386 1.00 0.00 C ATOM 412 O HIS A 29 4.343 11.361 7.247 1.00 0.00 O ATOM 413 CB HIS A 29 1.586 12.044 7.861 1.00 0.00 C ATOM 414 CG HIS A 29 1.734 12.093 6.372 1.00 0.00 C ATOM 415 ND1 HIS A 29 1.661 13.263 5.646 1.00 0.00 N ATOM 416 CD2 HIS A 29 1.955 11.106 5.471 1.00 0.00 C ATOM 417 CE1 HIS A 29 1.828 12.994 4.363 1.00 0.00 C ATOM 418 NE2 HIS A 29 2.009 11.692 4.230 1.00 0.00 N ATOM 0 H HIS A 29 2.291 14.447 7.782 1.00 0.00 H new ATOM 0 HA HIS A 29 2.577 12.609 9.682 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.414 11.012 8.167 1.00 0.00 H new ATOM 0 HB3 HIS A 29 0.702 12.614 8.149 1.00 0.00 H new ATOM 0 HD1 HIS A 29 1.503 14.191 6.038 1.00 0.00 H new ATOM 0 HD2 HIS A 29 2.068 10.054 5.688 1.00 0.00 H new ATOM 0 HE1 HIS A 29 1.818 13.716 3.560 1.00 0.00 H new ATOM 426 N LEU A 30 4.650 11.281 9.474 1.00 0.00 N ATOM 427 CA LEU A 30 5.820 10.413 9.392 1.00 0.00 C ATOM 428 C LEU A 30 5.410 8.944 9.396 1.00 0.00 C ATOM 429 O LEU A 30 5.987 8.126 8.681 1.00 0.00 O ATOM 430 CB LEU A 30 6.769 10.692 10.559 1.00 0.00 C ATOM 431 CG LEU A 30 6.115 11.162 11.859 1.00 0.00 C ATOM 432 CD1 LEU A 30 7.024 10.881 13.045 1.00 0.00 C ATOM 433 CD2 LEU A 30 5.779 12.644 11.781 1.00 0.00 C ATOM 0 H LEU A 30 4.383 11.540 10.424 1.00 0.00 H new ATOM 0 HA LEU A 30 6.334 10.625 8.454 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.333 9.783 10.768 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.488 11.448 10.244 1.00 0.00 H new ATOM 0 HG LEU A 30 5.188 10.607 11.999 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.542 11.222 13.961 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.214 9.810 13.112 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.968 11.409 12.913 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.314 12.961 12.715 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.692 13.216 11.617 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.089 12.818 10.955 1.00 0.00 H new ATOM 445 N GLY A 31 4.406 8.617 10.204 1.00 0.00 N ATOM 446 CA GLY A 31 3.934 7.247 10.284 1.00 0.00 C ATOM 447 C GLY A 31 5.051 6.238 10.109 1.00 0.00 C ATOM 448 O GLY A 31 5.981 6.186 10.915 1.00 0.00 O ATOM 0 H GLY A 31 3.911 9.276 10.805 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.452 7.088 11.249 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.176 7.082 9.518 1.00 0.00 H new ATOM 452 N ILE A 32 4.959 5.433 9.056 1.00 0.00 N ATOM 453 CA ILE A 32 5.970 4.420 8.779 1.00 0.00 C ATOM 454 C ILE A 32 6.189 4.257 7.279 1.00 0.00 C ATOM 455 O ILE A 32 5.248 4.265 6.485 1.00 0.00 O ATOM 456 CB ILE A 32 5.580 3.057 9.381 1.00 0.00 C ATOM 457 CG1 ILE A 32 5.455 3.163 10.902 1.00 0.00 C ATOM 458 CG2 ILE A 32 6.605 1.998 9.001 1.00 0.00 C ATOM 459 CD1 ILE A 32 4.452 2.198 11.495 1.00 0.00 C ATOM 0 H ILE A 32 4.195 5.462 8.381 1.00 0.00 H new ATOM 0 HA ILE A 32 6.895 4.762 9.243 1.00 0.00 H new ATOM 0 HB ILE A 32 4.612 2.761 8.976 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.431 2.982 11.352 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.167 4.181 11.165 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.316 1.040 9.434 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.649 1.907 7.916 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.585 2.287 9.381 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.416 2.329 12.576 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.466 2.393 11.073 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.750 1.175 11.263 1.00 0.00 H new ATOM 471 N PRO A 33 7.460 4.104 6.880 1.00 0.00 N ATOM 472 CA PRO A 33 7.832 3.934 5.472 1.00 0.00 C ATOM 473 C PRO A 33 7.392 2.584 4.915 1.00 0.00 C ATOM 474 O PRO A 33 7.131 1.645 5.668 1.00 0.00 O ATOM 475 CB PRO A 33 9.360 4.029 5.495 1.00 0.00 C ATOM 476 CG PRO A 33 9.744 3.618 6.874 1.00 0.00 C ATOM 477 CD PRO A 33 8.632 4.085 7.771 1.00 0.00 C ATOM 0 HA PRO A 33 7.354 4.676 4.832 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.809 3.375 4.747 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.697 5.042 5.275 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.869 2.537 6.938 1.00 0.00 H new ATOM 0 HG3 PRO A 33 10.694 4.067 7.164 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.485 3.410 8.614 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.838 5.072 8.186 1.00 0.00 H new ATOM 485 N CYS A 34 7.311 2.493 3.592 1.00 0.00 N ATOM 486 CA CYS A 34 6.903 1.258 2.933 1.00 0.00 C ATOM 487 C CYS A 34 7.958 0.171 3.112 1.00 0.00 C ATOM 488 O CYS A 34 9.142 0.462 3.275 1.00 0.00 O ATOM 489 CB CYS A 34 6.658 1.507 1.443 1.00 0.00 C ATOM 490 SG CYS A 34 5.808 0.140 0.591 1.00 0.00 S ATOM 0 H CYS A 34 7.523 3.261 2.954 1.00 0.00 H new ATOM 0 HA CYS A 34 5.976 0.919 3.395 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.066 2.415 1.330 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.615 1.687 0.953 1.00 0.00 H new ATOM 495 N ASN A 35 7.519 -1.083 3.081 1.00 0.00 N ATOM 496 CA ASN A 35 8.425 -2.215 3.240 1.00 0.00 C ATOM 497 C ASN A 35 8.872 -2.748 1.882 1.00 0.00 C ATOM 498 O ASN A 35 9.865 -3.468 1.783 1.00 0.00 O ATOM 499 CB ASN A 35 7.748 -3.329 4.040 1.00 0.00 C ATOM 500 CG ASN A 35 8.703 -4.454 4.387 1.00 0.00 C ATOM 501 OD1 ASN A 35 9.066 -5.261 3.531 1.00 0.00 O ATOM 502 ND2 ASN A 35 9.116 -4.513 5.648 1.00 0.00 N ATOM 0 H ASN A 35 6.541 -1.341 2.947 1.00 0.00 H new ATOM 0 HA ASN A 35 9.305 -1.871 3.783 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.333 -2.913 4.958 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.913 -3.729 3.465 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.760 -5.248 5.940 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.789 -3.823 6.324 1.00 0.00 H new ATOM 509 N ASN A 36 8.132 -2.389 0.838 1.00 0.00 N ATOM 510 CA ASN A 36 8.452 -2.832 -0.514 1.00 0.00 C ATOM 511 C ASN A 36 9.261 -1.773 -1.256 1.00 0.00 C ATOM 512 O ASN A 36 10.465 -1.929 -1.466 1.00 0.00 O ATOM 513 CB ASN A 36 7.170 -3.145 -1.288 1.00 0.00 C ATOM 514 CG ASN A 36 7.374 -4.223 -2.334 1.00 0.00 C ATOM 515 OD1 ASN A 36 8.077 -5.206 -2.099 1.00 0.00 O ATOM 516 ND2 ASN A 36 6.758 -4.044 -3.496 1.00 0.00 N ATOM 0 H ASN A 36 7.307 -1.793 0.902 1.00 0.00 H new ATOM 0 HA ASN A 36 9.054 -3.738 -0.440 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.396 -3.462 -0.590 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.810 -2.237 -1.772 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.858 -4.737 -4.238 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.185 -3.214 -3.647 1.00 0.00 H new ATOM 523 N CYS A 37 8.593 -0.694 -1.651 1.00 0.00 N ATOM 524 CA CYS A 37 9.248 0.392 -2.369 1.00 0.00 C ATOM 525 C CYS A 37 10.117 1.220 -1.427 1.00 0.00 C ATOM 526 O CYS A 37 11.079 1.860 -1.853 1.00 0.00 O ATOM 527 CB CYS A 37 8.207 1.289 -3.041 1.00 0.00 C ATOM 528 SG CYS A 37 7.292 2.360 -1.885 1.00 0.00 S ATOM 0 H CYS A 37 7.597 -0.549 -1.485 1.00 0.00 H new ATOM 0 HA CYS A 37 9.888 -0.046 -3.135 1.00 0.00 H new ATOM 0 HB2 CYS A 37 8.705 1.914 -3.782 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.496 0.662 -3.579 1.00 0.00 H new ATOM 533 N LYS A 38 9.773 1.203 -0.144 1.00 0.00 N ATOM 534 CA LYS A 38 10.520 1.951 0.860 1.00 0.00 C ATOM 535 C LYS A 38 10.367 3.453 0.646 1.00 0.00 C ATOM 536 O LYS A 38 11.337 4.204 0.740 1.00 0.00 O ATOM 537 CB LYS A 38 12.001 1.567 0.813 1.00 0.00 C ATOM 538 CG LYS A 38 12.245 0.071 0.919 1.00 0.00 C ATOM 539 CD LYS A 38 12.214 -0.398 2.364 1.00 0.00 C ATOM 540 CE LYS A 38 13.592 -0.329 3.002 1.00 0.00 C ATOM 541 NZ LYS A 38 13.910 1.041 3.491 1.00 0.00 N ATOM 0 H LYS A 38 8.980 0.678 0.226 1.00 0.00 H new ATOM 0 HA LYS A 38 10.115 1.699 1.840 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.433 1.932 -0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.524 2.071 1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.488 -0.464 0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.211 -0.173 0.477 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.517 0.218 2.933 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.843 -1.422 2.407 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.643 -1.032 3.833 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.344 -0.639 2.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.401 0.978 4.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.522 1.522 2.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.029 1.581 3.608 1.00 0.00 H new ATOM 555 N GLN A 39 9.143 3.883 0.358 1.00 0.00 N ATOM 556 CA GLN A 39 8.864 5.297 0.132 1.00 0.00 C ATOM 557 C GLN A 39 8.687 6.035 1.455 1.00 0.00 C ATOM 558 O GLN A 39 7.825 5.687 2.262 1.00 0.00 O ATOM 559 CB GLN A 39 7.609 5.459 -0.728 1.00 0.00 C ATOM 560 CG GLN A 39 7.322 6.900 -1.118 1.00 0.00 C ATOM 561 CD GLN A 39 6.625 7.013 -2.460 1.00 0.00 C ATOM 562 OE1 GLN A 39 7.048 6.409 -3.445 1.00 0.00 O ATOM 563 NE2 GLN A 39 5.549 7.790 -2.504 1.00 0.00 N ATOM 0 H GLN A 39 8.329 3.274 0.276 1.00 0.00 H new ATOM 0 HA GLN A 39 9.715 5.730 -0.394 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.719 4.861 -1.633 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.752 5.061 -0.185 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.702 7.364 -0.351 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.258 7.457 -1.151 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.233 8.272 -1.662 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.038 7.904 -3.379 1.00 0.00 H new ATOM 572 N PHE A 40 9.509 7.057 1.671 1.00 0.00 N ATOM 573 CA PHE A 40 9.445 7.844 2.896 1.00 0.00 C ATOM 574 C PHE A 40 9.804 9.302 2.626 1.00 0.00 C ATOM 575 O PHE A 40 10.838 9.613 2.035 1.00 0.00 O ATOM 576 CB PHE A 40 10.388 7.262 3.952 1.00 0.00 C ATOM 577 CG PHE A 40 9.889 7.430 5.359 1.00 0.00 C ATOM 578 CD1 PHE A 40 8.593 7.077 5.695 1.00 0.00 C ATOM 579 CD2 PHE A 40 10.718 7.941 6.345 1.00 0.00 C ATOM 580 CE1 PHE A 40 8.131 7.230 6.989 1.00 0.00 C ATOM 581 CE2 PHE A 40 10.262 8.096 7.640 1.00 0.00 C ATOM 582 CZ PHE A 40 8.967 7.741 7.962 1.00 0.00 C ATOM 0 H PHE A 40 10.227 7.359 1.013 1.00 0.00 H new ATOM 0 HA PHE A 40 8.422 7.803 3.270 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.535 6.201 3.751 1.00 0.00 H new ATOM 0 HB3 PHE A 40 11.363 7.741 3.861 1.00 0.00 H new ATOM 0 HD1 PHE A 40 7.935 6.677 4.937 1.00 0.00 H new ATOM 0 HD2 PHE A 40 11.731 8.221 6.098 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.118 6.950 7.238 1.00 0.00 H new ATOM 0 HE2 PHE A 40 10.918 8.495 8.400 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.608 7.863 8.973 1.00 0.00 H new ATOM 592 N PRO A 41 8.930 10.218 3.068 1.00 0.00 N ATOM 593 CA PRO A 41 7.696 9.859 3.773 1.00 0.00 C ATOM 594 C PRO A 41 6.679 9.189 2.856 1.00 0.00 C ATOM 595 O PRO A 41 6.828 9.202 1.633 1.00 0.00 O ATOM 596 CB PRO A 41 7.164 11.207 4.266 1.00 0.00 C ATOM 597 CG PRO A 41 7.733 12.208 3.320 1.00 0.00 C ATOM 598 CD PRO A 41 9.079 11.675 2.914 1.00 0.00 C ATOM 0 HA PRO A 41 7.877 9.139 4.571 1.00 0.00 H new ATOM 0 HB2 PRO A 41 6.074 11.229 4.258 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.479 11.406 5.290 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.086 12.337 2.452 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.827 13.185 3.795 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.326 11.947 1.888 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.874 12.067 3.548 1.00 0.00 H new ATOM 606 N ILE A 42 5.646 8.605 3.453 1.00 0.00 N ATOM 607 CA ILE A 42 4.603 7.931 2.688 1.00 0.00 C ATOM 608 C ILE A 42 3.431 8.866 2.413 1.00 0.00 C ATOM 609 O ILE A 42 2.476 8.923 3.187 1.00 0.00 O ATOM 610 CB ILE A 42 4.086 6.680 3.423 1.00 0.00 C ATOM 611 CG1 ILE A 42 5.083 5.528 3.278 1.00 0.00 C ATOM 612 CG2 ILE A 42 2.721 6.277 2.886 1.00 0.00 C ATOM 613 CD1 ILE A 42 4.589 4.224 3.866 1.00 0.00 C ATOM 0 H ILE A 42 5.508 8.585 4.463 1.00 0.00 H new ATOM 0 HA ILE A 42 5.052 7.628 1.742 1.00 0.00 H new ATOM 0 HB ILE A 42 3.983 6.915 4.482 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.304 5.380 2.221 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.019 5.805 3.763 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.369 5.391 3.415 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.015 7.094 3.036 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.799 6.056 1.821 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.346 3.452 3.727 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.395 4.355 4.931 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.669 3.924 3.364 1.00 0.00 H new ATOM 625 N GLU A 43 3.511 9.597 1.306 1.00 0.00 N ATOM 626 CA GLU A 43 2.456 10.530 0.929 1.00 0.00 C ATOM 627 C GLU A 43 1.088 9.857 0.990 1.00 0.00 C ATOM 628 O GLU A 43 0.166 10.355 1.635 1.00 0.00 O ATOM 629 CB GLU A 43 2.705 11.075 -0.479 1.00 0.00 C ATOM 630 CG GLU A 43 4.070 11.721 -0.648 1.00 0.00 C ATOM 631 CD GLU A 43 4.095 13.163 -0.180 1.00 0.00 C ATOM 632 OE1 GLU A 43 3.182 13.926 -0.557 1.00 0.00 O ATOM 633 OE2 GLU A 43 5.029 13.528 0.565 1.00 0.00 O ATOM 0 H GLU A 43 4.295 9.561 0.655 1.00 0.00 H new ATOM 0 HA GLU A 43 2.468 11.357 1.639 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.606 10.261 -1.197 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.934 11.807 -0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.810 11.149 -0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.360 11.679 -1.698 1.00 0.00 H new ATOM 640 N GLY A 44 0.963 8.719 0.312 1.00 0.00 N ATOM 641 CA GLY A 44 -0.295 7.996 0.302 1.00 0.00 C ATOM 642 C GLY A 44 -0.653 7.435 1.663 1.00 0.00 C ATOM 643 O GLY A 44 0.049 7.675 2.646 1.00 0.00 O ATOM 0 H GLY A 44 1.711 8.286 -0.230 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.090 8.662 -0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.236 7.181 -0.419 1.00 0.00 H new ATOM 647 N LYS A 45 -1.750 6.688 1.724 1.00 0.00 N ATOM 648 CA LYS A 45 -2.201 6.091 2.975 1.00 0.00 C ATOM 649 C LYS A 45 -1.103 5.234 3.597 1.00 0.00 C ATOM 650 O LYS A 45 -0.060 5.006 2.984 1.00 0.00 O ATOM 651 CB LYS A 45 -3.452 5.241 2.737 1.00 0.00 C ATOM 652 CG LYS A 45 -4.750 6.016 2.884 1.00 0.00 C ATOM 653 CD LYS A 45 -5.173 6.126 4.339 1.00 0.00 C ATOM 654 CE LYS A 45 -6.274 7.159 4.524 1.00 0.00 C ATOM 655 NZ LYS A 45 -5.742 8.549 4.482 1.00 0.00 N ATOM 0 H LYS A 45 -2.344 6.482 0.921 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.443 6.898 3.666 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.405 4.813 1.736 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.454 4.408 3.440 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.628 7.014 2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.536 5.523 2.312 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.521 5.155 4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.312 6.397 4.950 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.025 7.034 3.744 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.774 6.990 5.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.503 9.219 4.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.973 8.647 5.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.378 8.753 3.529 1.00 0.00 H new ATOM 669 N CYS A 46 -1.346 4.762 4.815 1.00 0.00 N ATOM 670 CA CYS A 46 -0.377 3.930 5.519 1.00 0.00 C ATOM 671 C CYS A 46 -0.972 2.565 5.851 1.00 0.00 C ATOM 672 O CYS A 46 -1.784 2.437 6.768 1.00 0.00 O ATOM 673 CB CYS A 46 0.086 4.623 6.801 1.00 0.00 C ATOM 674 SG CYS A 46 1.365 5.875 6.543 1.00 0.00 S ATOM 0 H CYS A 46 -2.205 4.941 5.335 1.00 0.00 H new ATOM 0 HA CYS A 46 0.482 3.783 4.864 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.774 5.091 7.279 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.464 3.870 7.492 1.00 0.00 H new ATOM 0 HG CYS A 46 1.689 6.406 7.685 1.00 0.00 H new ATOM 680 N TYR A 47 -0.564 1.549 5.099 1.00 0.00 N ATOM 681 CA TYR A 47 -1.060 0.195 5.310 1.00 0.00 C ATOM 682 C TYR A 47 -0.036 -0.649 6.063 1.00 0.00 C ATOM 683 O TYR A 47 1.164 -0.378 6.018 1.00 0.00 O ATOM 684 CB TYR A 47 -1.393 -0.464 3.970 1.00 0.00 C ATOM 685 CG TYR A 47 -2.314 0.363 3.101 1.00 0.00 C ATOM 686 CD1 TYR A 47 -1.872 1.541 2.511 1.00 0.00 C ATOM 687 CD2 TYR A 47 -3.625 -0.033 2.870 1.00 0.00 C ATOM 688 CE1 TYR A 47 -2.710 2.300 1.717 1.00 0.00 C ATOM 689 CE2 TYR A 47 -4.469 0.719 2.076 1.00 0.00 C ATOM 690 CZ TYR A 47 -4.007 1.885 1.502 1.00 0.00 C ATOM 691 OH TYR A 47 -4.844 2.637 0.711 1.00 0.00 O ATOM 0 H TYR A 47 0.109 1.638 4.338 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.967 0.258 5.912 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.467 -0.652 3.427 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.856 -1.433 4.156 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.856 1.869 2.676 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.991 -0.945 3.319 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.351 3.214 1.267 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.485 0.396 1.906 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.722 2.205 0.661 1.00 0.00 H new ATOM 701 N LYS A 48 -0.519 -1.675 6.755 1.00 0.00 N ATOM 702 CA LYS A 48 0.351 -2.562 7.518 1.00 0.00 C ATOM 703 C LYS A 48 -0.222 -3.975 7.570 1.00 0.00 C ATOM 704 O LYS A 48 -1.438 -4.164 7.530 1.00 0.00 O ATOM 705 CB LYS A 48 0.542 -2.025 8.938 1.00 0.00 C ATOM 706 CG LYS A 48 -0.651 -2.269 9.846 1.00 0.00 C ATOM 707 CD LYS A 48 -0.396 -1.753 11.253 1.00 0.00 C ATOM 708 CE LYS A 48 0.222 -2.825 12.137 1.00 0.00 C ATOM 709 NZ LYS A 48 1.709 -2.808 12.073 1.00 0.00 N ATOM 0 H LYS A 48 -1.510 -1.913 6.803 1.00 0.00 H new ATOM 0 HA LYS A 48 1.318 -2.600 7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.424 -2.490 9.378 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.738 -0.954 8.889 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.531 -1.778 9.431 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.869 -3.336 9.883 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.267 -0.889 11.210 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.334 -1.414 11.693 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.099 -2.675 13.168 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.143 -3.805 11.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.099 -3.137 12.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.031 -3.436 11.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.037 -1.839 11.886 1.00 0.00 H new ATOM 723 N CYS A 49 0.661 -4.963 7.661 1.00 0.00 N ATOM 724 CA CYS A 49 0.244 -6.359 7.719 1.00 0.00 C ATOM 725 C CYS A 49 0.054 -6.810 9.165 1.00 0.00 C ATOM 726 O CYS A 49 0.970 -6.715 9.982 1.00 0.00 O ATOM 727 CB CYS A 49 1.276 -7.251 7.027 1.00 0.00 C ATOM 728 SG CYS A 49 0.744 -8.982 6.822 1.00 0.00 S ATOM 0 H CYS A 49 1.671 -4.823 7.696 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.710 -6.449 7.200 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.502 -6.833 6.046 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.201 -7.232 7.603 1.00 0.00 H new ATOM 733 N THR A 50 -1.142 -7.301 9.474 1.00 0.00 N ATOM 734 CA THR A 50 -1.454 -7.765 10.819 1.00 0.00 C ATOM 735 C THR A 50 -1.048 -9.223 11.006 1.00 0.00 C ATOM 736 O THR A 50 -1.364 -9.839 12.022 1.00 0.00 O ATOM 737 CB THR A 50 -2.955 -7.618 11.131 1.00 0.00 C ATOM 738 OG1 THR A 50 -3.695 -8.656 10.479 1.00 0.00 O ATOM 739 CG2 THR A 50 -3.471 -6.260 10.680 1.00 0.00 C ATOM 0 H THR A 50 -1.911 -7.387 8.810 1.00 0.00 H new ATOM 0 HA THR A 50 -0.885 -7.141 11.508 1.00 0.00 H new ATOM 0 HB THR A 50 -3.089 -7.700 12.210 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.648 -8.556 10.684 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.533 -6.179 10.911 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.926 -5.473 11.200 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.324 -6.154 9.605 1.00 0.00 H new ATOM 747 N GLU A 51 -0.345 -9.768 10.017 1.00 0.00 N ATOM 748 CA GLU A 51 0.104 -11.154 10.074 1.00 0.00 C ATOM 749 C GLU A 51 1.628 -11.233 10.071 1.00 0.00 C ATOM 750 O GLU A 51 2.212 -12.191 10.579 1.00 0.00 O ATOM 751 CB GLU A 51 -0.461 -11.945 8.892 1.00 0.00 C ATOM 752 CG GLU A 51 -1.979 -12.008 8.871 1.00 0.00 C ATOM 753 CD GLU A 51 -2.501 -13.275 8.224 1.00 0.00 C ATOM 754 OE1 GLU A 51 -2.486 -14.331 8.891 1.00 0.00 O ATOM 755 OE2 GLU A 51 -2.925 -13.212 7.051 1.00 0.00 O ATOM 0 H GLU A 51 -0.075 -9.271 9.168 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.263 -11.590 11.003 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.112 -11.493 7.963 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.064 -12.960 8.922 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.356 -11.944 9.892 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.367 -11.143 8.333 1.00 0.00 H new ATOM 762 N CYS A 52 2.266 -10.220 9.495 1.00 0.00 N ATOM 763 CA CYS A 52 3.721 -10.173 9.424 1.00 0.00 C ATOM 764 C CYS A 52 4.295 -9.345 10.570 1.00 0.00 C ATOM 765 O CYS A 52 3.562 -8.891 11.449 1.00 0.00 O ATOM 766 CB CYS A 52 4.169 -9.589 8.083 1.00 0.00 C ATOM 767 SG CYS A 52 4.042 -10.751 6.686 1.00 0.00 S ATOM 0 H CYS A 52 1.797 -9.420 9.070 1.00 0.00 H new ATOM 0 HA CYS A 52 4.097 -11.192 9.512 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.567 -8.707 7.864 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.203 -9.256 8.171 1.00 0.00 H new ATOM 772 N ILE A 53 5.610 -9.152 10.552 1.00 0.00 N ATOM 773 CA ILE A 53 6.282 -8.377 11.588 1.00 0.00 C ATOM 774 C ILE A 53 6.963 -7.146 10.999 1.00 0.00 C ATOM 775 O ILE A 53 7.640 -7.230 9.975 1.00 0.00 O ATOM 776 CB ILE A 53 7.331 -9.223 12.333 1.00 0.00 C ATOM 777 CG1 ILE A 53 6.676 -10.465 12.943 1.00 0.00 C ATOM 778 CG2 ILE A 53 8.013 -8.394 13.411 1.00 0.00 C ATOM 779 CD1 ILE A 53 5.449 -10.156 13.771 1.00 0.00 C ATOM 0 H ILE A 53 6.231 -9.521 9.832 1.00 0.00 H new ATOM 0 HA ILE A 53 5.514 -8.062 12.294 1.00 0.00 H new ATOM 0 HB ILE A 53 8.088 -9.547 11.619 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.400 -11.151 12.142 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.405 -10.981 13.568 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.752 -9.006 13.928 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.508 -7.538 12.953 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.268 -8.043 14.125 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.038 -11.082 14.172 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.722 -9.495 14.593 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.702 -9.668 13.146 1.00 0.00 H new ATOM 791 N GLU A 54 6.780 -6.005 11.655 1.00 0.00 N ATOM 792 CA GLU A 54 7.379 -4.756 11.196 1.00 0.00 C ATOM 793 C GLU A 54 7.198 -4.588 9.690 1.00 0.00 C ATOM 794 O GLU A 54 8.120 -4.178 8.985 1.00 0.00 O ATOM 795 CB GLU A 54 8.867 -4.719 11.549 1.00 0.00 C ATOM 796 CG GLU A 54 9.141 -4.794 13.042 1.00 0.00 C ATOM 797 CD GLU A 54 10.423 -4.088 13.436 1.00 0.00 C ATOM 798 OE1 GLU A 54 10.422 -2.840 13.484 1.00 0.00 O ATOM 799 OE2 GLU A 54 11.428 -4.782 13.697 1.00 0.00 O ATOM 0 H GLU A 54 6.223 -5.919 12.505 1.00 0.00 H new ATOM 0 HA GLU A 54 6.873 -3.933 11.700 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.370 -5.550 11.054 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.303 -3.801 11.154 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.305 -4.351 13.584 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.199 -5.839 13.345 1.00 0.00 H new ATOM 806 N TYR A 55 6.003 -4.906 9.205 1.00 0.00 N ATOM 807 CA TYR A 55 5.701 -4.793 7.783 1.00 0.00 C ATOM 808 C TYR A 55 4.680 -3.689 7.529 1.00 0.00 C ATOM 809 O TYR A 55 3.602 -3.674 8.125 1.00 0.00 O ATOM 810 CB TYR A 55 5.174 -6.124 7.245 1.00 0.00 C ATOM 811 CG TYR A 55 5.466 -6.343 5.777 1.00 0.00 C ATOM 812 CD1 TYR A 55 6.641 -6.962 5.368 1.00 0.00 C ATOM 813 CD2 TYR A 55 4.569 -5.930 4.801 1.00 0.00 C ATOM 814 CE1 TYR A 55 6.913 -7.163 4.029 1.00 0.00 C ATOM 815 CE2 TYR A 55 4.832 -6.129 3.459 1.00 0.00 C ATOM 816 CZ TYR A 55 6.005 -6.745 3.078 1.00 0.00 C ATOM 817 OH TYR A 55 6.271 -6.944 1.743 1.00 0.00 O ATOM 0 H TYR A 55 5.228 -5.244 9.775 1.00 0.00 H new ATOM 0 HA TYR A 55 6.623 -4.537 7.261 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.615 -6.939 7.820 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.096 -6.169 7.403 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.354 -7.291 6.110 1.00 0.00 H new ATOM 0 HD2 TYR A 55 3.650 -5.445 5.096 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.832 -7.645 3.728 1.00 0.00 H new ATOM 0 HE2 TYR A 55 4.122 -5.804 2.713 1.00 0.00 H new ATOM 0 HH TYR A 55 6.821 -7.748 1.635 1.00 0.00 H new ATOM 827 N HIS A 56 5.027 -2.764 6.640 1.00 0.00 N ATOM 828 CA HIS A 56 4.141 -1.655 6.304 1.00 0.00 C ATOM 829 C HIS A 56 4.257 -1.294 4.827 1.00 0.00 C ATOM 830 O HIS A 56 5.360 -1.196 4.286 1.00 0.00 O ATOM 831 CB HIS A 56 4.468 -0.435 7.167 1.00 0.00 C ATOM 832 CG HIS A 56 4.604 -0.751 8.624 1.00 0.00 C ATOM 833 ND1 HIS A 56 5.754 -1.274 9.176 1.00 0.00 N ATOM 834 CD2 HIS A 56 3.727 -0.613 9.646 1.00 0.00 C ATOM 835 CE1 HIS A 56 5.578 -1.446 10.474 1.00 0.00 C ATOM 836 NE2 HIS A 56 4.356 -1.053 10.785 1.00 0.00 N ATOM 0 H HIS A 56 5.916 -2.760 6.139 1.00 0.00 H new ATOM 0 HA HIS A 56 3.116 -1.968 6.503 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.397 0.012 6.812 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.685 0.312 7.037 1.00 0.00 H new ATOM 0 HD2 HIS A 56 2.720 -0.228 9.578 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.309 -1.841 11.164 1.00 0.00 H new ATOM 0 HE2 HIS A 56 3.946 -1.073 11.719 1.00 0.00 H new ATOM 844 N LEU A 57 3.114 -1.098 4.179 1.00 0.00 N ATOM 845 CA LEU A 57 3.088 -0.748 2.763 1.00 0.00 C ATOM 846 C LEU A 57 2.521 0.653 2.558 1.00 0.00 C ATOM 847 O LEU A 57 2.168 1.338 3.519 1.00 0.00 O ATOM 848 CB LEU A 57 2.256 -1.767 1.981 1.00 0.00 C ATOM 849 CG LEU A 57 2.988 -3.035 1.541 1.00 0.00 C ATOM 850 CD1 LEU A 57 2.054 -3.946 0.760 1.00 0.00 C ATOM 851 CD2 LEU A 57 4.212 -2.683 0.709 1.00 0.00 C ATOM 0 H LEU A 57 2.193 -1.175 4.611 1.00 0.00 H new ATOM 0 HA LEU A 57 4.113 -0.763 2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.404 -2.058 2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.857 -1.276 1.094 1.00 0.00 H new ATOM 0 HG LEU A 57 3.321 -3.567 2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.592 -4.843 0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.209 -4.226 1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.691 -3.423 -0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.720 -3.598 0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.903 -2.128 -0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.891 -2.071 1.302 1.00 0.00 H new ATOM 863 N CYS A 58 2.433 1.072 1.300 1.00 0.00 N ATOM 864 CA CYS A 58 1.906 2.391 0.968 1.00 0.00 C ATOM 865 C CYS A 58 0.770 2.283 -0.044 1.00 0.00 C ATOM 866 O CYS A 58 0.699 1.325 -0.813 1.00 0.00 O ATOM 867 CB CYS A 58 3.019 3.281 0.411 1.00 0.00 C ATOM 868 SG CYS A 58 3.734 2.686 -1.155 1.00 0.00 S ATOM 0 H CYS A 58 2.720 0.517 0.493 1.00 0.00 H new ATOM 0 HA CYS A 58 1.514 2.840 1.881 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.624 4.286 0.259 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.813 3.359 1.154 1.00 0.00 H new ATOM 873 N GLN A 59 -0.116 3.274 -0.039 1.00 0.00 N ATOM 874 CA GLN A 59 -1.249 3.291 -0.957 1.00 0.00 C ATOM 875 C GLN A 59 -0.822 2.861 -2.356 1.00 0.00 C ATOM 876 O GLN A 59 -1.563 2.172 -3.056 1.00 0.00 O ATOM 877 CB GLN A 59 -1.871 4.688 -1.007 1.00 0.00 C ATOM 878 CG GLN A 59 -2.801 4.897 -2.191 1.00 0.00 C ATOM 879 CD GLN A 59 -4.146 4.224 -2.002 1.00 0.00 C ATOM 880 OE1 GLN A 59 -5.102 4.841 -1.532 1.00 0.00 O ATOM 881 NE2 GLN A 59 -4.228 2.950 -2.369 1.00 0.00 N ATOM 0 H GLN A 59 -0.071 4.075 0.590 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.992 2.583 -0.590 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.425 4.863 -0.085 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.074 5.430 -1.046 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -2.952 5.965 -2.345 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.328 4.508 -3.093 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.411 2.477 -2.754 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.108 2.445 -2.266 1.00 0.00 H new ATOM 890 N GLU A 60 0.377 3.272 -2.756 1.00 0.00 N ATOM 891 CA GLU A 60 0.901 2.929 -4.073 1.00 0.00 C ATOM 892 C GLU A 60 1.037 1.417 -4.228 1.00 0.00 C ATOM 893 O GLU A 60 0.303 0.791 -4.994 1.00 0.00 O ATOM 894 CB GLU A 60 2.258 3.599 -4.297 1.00 0.00 C ATOM 895 CG GLU A 60 2.525 3.964 -5.748 1.00 0.00 C ATOM 896 CD GLU A 60 3.942 4.454 -5.975 1.00 0.00 C ATOM 897 OE1 GLU A 60 4.204 5.648 -5.721 1.00 0.00 O ATOM 898 OE2 GLU A 60 4.789 3.643 -6.407 1.00 0.00 O ATOM 0 H GLU A 60 1.003 3.842 -2.188 1.00 0.00 H new ATOM 0 HA GLU A 60 0.196 3.292 -4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.313 4.501 -3.688 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.046 2.931 -3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.340 3.094 -6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.823 4.737 -6.059 1.00 0.00 H new ATOM 905 N CYS A 61 1.981 0.836 -3.496 1.00 0.00 N ATOM 906 CA CYS A 61 2.216 -0.602 -3.551 1.00 0.00 C ATOM 907 C CYS A 61 0.916 -1.374 -3.341 1.00 0.00 C ATOM 908 O CYS A 61 0.713 -2.440 -3.922 1.00 0.00 O ATOM 909 CB CYS A 61 3.243 -1.014 -2.495 1.00 0.00 C ATOM 910 SG CYS A 61 4.953 -0.531 -2.893 1.00 0.00 S ATOM 0 H CYS A 61 2.596 1.339 -2.857 1.00 0.00 H new ATOM 0 HA CYS A 61 2.606 -0.843 -4.540 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.964 -0.569 -1.540 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.203 -2.096 -2.367 1.00 0.00 H new ATOM 915 N PHE A 62 0.039 -0.827 -2.506 1.00 0.00 N ATOM 916 CA PHE A 62 -1.241 -1.463 -2.217 1.00 0.00 C ATOM 917 C PHE A 62 -2.073 -1.614 -3.488 1.00 0.00 C ATOM 918 O PHE A 62 -2.799 -2.594 -3.655 1.00 0.00 O ATOM 919 CB PHE A 62 -2.018 -0.649 -1.180 1.00 0.00 C ATOM 920 CG PHE A 62 -3.126 -1.419 -0.520 1.00 0.00 C ATOM 921 CD1 PHE A 62 -2.851 -2.324 0.492 1.00 0.00 C ATOM 922 CD2 PHE A 62 -4.442 -1.239 -0.913 1.00 0.00 C ATOM 923 CE1 PHE A 62 -3.868 -3.034 1.102 1.00 0.00 C ATOM 924 CE2 PHE A 62 -5.463 -1.946 -0.308 1.00 0.00 C ATOM 925 CZ PHE A 62 -5.176 -2.845 0.700 1.00 0.00 C ATOM 0 H PHE A 62 0.191 0.055 -2.017 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.041 -2.456 -1.814 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.326 -0.296 -0.415 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.437 0.234 -1.663 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.830 -2.477 0.808 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.672 -0.538 -1.701 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.640 -3.735 1.891 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.485 -1.796 -0.623 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.973 -3.399 1.173 1.00 0.00 H new ATOM 935 N ASP A 63 -1.960 -0.636 -4.380 1.00 0.00 N ATOM 936 CA ASP A 63 -2.700 -0.659 -5.637 1.00 0.00 C ATOM 937 C ASP A 63 -2.437 -1.953 -6.399 1.00 0.00 C ATOM 938 O ASP A 63 -3.288 -2.426 -7.153 1.00 0.00 O ATOM 939 CB ASP A 63 -2.317 0.544 -6.501 1.00 0.00 C ATOM 940 CG ASP A 63 -2.882 0.452 -7.904 1.00 0.00 C ATOM 941 OD1 ASP A 63 -4.110 0.262 -8.039 1.00 0.00 O ATOM 942 OD2 ASP A 63 -2.098 0.570 -8.868 1.00 0.00 O ATOM 0 H ASP A 63 -1.364 0.182 -4.256 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.764 -0.606 -5.405 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.676 1.457 -6.027 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.231 0.619 -6.554 1.00 0.00 H new ATOM 947 N SER A 64 -1.252 -2.522 -6.199 1.00 0.00 N ATOM 948 CA SER A 64 -0.874 -3.759 -6.871 1.00 0.00 C ATOM 949 C SER A 64 -1.554 -4.960 -6.220 1.00 0.00 C ATOM 950 O SER A 64 -1.701 -6.015 -6.839 1.00 0.00 O ATOM 951 CB SER A 64 0.644 -3.939 -6.839 1.00 0.00 C ATOM 952 OG SER A 64 1.028 -5.152 -7.463 1.00 0.00 O ATOM 0 H SER A 64 -0.537 -2.145 -5.576 1.00 0.00 H new ATOM 0 HA SER A 64 -1.203 -3.695 -7.908 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.123 -3.100 -7.343 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.992 -3.932 -5.806 1.00 0.00 H new ATOM 0 HG SER A 64 2.003 -5.242 -7.430 1.00 0.00 H new ATOM 958 N TYR A 65 -1.966 -4.792 -4.969 1.00 0.00 N ATOM 959 CA TYR A 65 -2.628 -5.862 -4.232 1.00 0.00 C ATOM 960 C TYR A 65 -1.751 -7.110 -4.178 1.00 0.00 C ATOM 961 O TYR A 65 -2.235 -8.230 -4.345 1.00 0.00 O ATOM 962 CB TYR A 65 -3.973 -6.199 -4.878 1.00 0.00 C ATOM 963 CG TYR A 65 -5.084 -5.249 -4.492 1.00 0.00 C ATOM 964 CD1 TYR A 65 -5.017 -3.900 -4.821 1.00 0.00 C ATOM 965 CD2 TYR A 65 -6.201 -5.699 -3.799 1.00 0.00 C ATOM 966 CE1 TYR A 65 -6.029 -3.028 -4.470 1.00 0.00 C ATOM 967 CE2 TYR A 65 -7.219 -4.834 -3.446 1.00 0.00 C ATOM 968 CZ TYR A 65 -7.128 -3.500 -3.783 1.00 0.00 C ATOM 969 OH TYR A 65 -8.139 -2.635 -3.432 1.00 0.00 O ATOM 0 H TYR A 65 -1.853 -3.925 -4.444 1.00 0.00 H new ATOM 0 HA TYR A 65 -2.799 -5.515 -3.213 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.859 -6.190 -5.962 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.258 -7.213 -4.596 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.159 -3.527 -5.360 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.275 -6.743 -3.532 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.960 -1.983 -4.732 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.081 -5.201 -2.909 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.839 -3.127 -2.954 1.00 0.00 H new ATOM 979 N CYS A 66 -0.459 -6.907 -3.943 1.00 0.00 N ATOM 980 CA CYS A 66 0.487 -8.014 -3.866 1.00 0.00 C ATOM 981 C CYS A 66 0.435 -8.680 -2.495 1.00 0.00 C ATOM 982 O CYS A 66 0.097 -9.858 -2.377 1.00 0.00 O ATOM 983 CB CYS A 66 1.906 -7.521 -4.153 1.00 0.00 C ATOM 984 SG CYS A 66 3.111 -8.845 -4.404 1.00 0.00 S ATOM 0 H CYS A 66 -0.043 -5.986 -3.803 1.00 0.00 H new ATOM 0 HA CYS A 66 0.207 -8.751 -4.619 1.00 0.00 H new ATOM 0 HB2 CYS A 66 1.887 -6.889 -5.041 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.237 -6.896 -3.324 1.00 0.00 H new ATOM 0 HG CYS A 66 4.280 -8.328 -4.642 1.00 0.00 H new ATOM 990 N HIS A 67 0.774 -7.918 -1.459 1.00 0.00 N ATOM 991 CA HIS A 67 0.767 -8.434 -0.095 1.00 0.00 C ATOM 992 C HIS A 67 -0.661 -8.596 0.417 1.00 0.00 C ATOM 993 O HIS A 67 -0.894 -9.231 1.447 1.00 0.00 O ATOM 994 CB HIS A 67 1.550 -7.502 0.829 1.00 0.00 C ATOM 995 CG HIS A 67 2.191 -8.206 1.986 1.00 0.00 C ATOM 996 ND1 HIS A 67 3.539 -8.122 2.264 1.00 0.00 N ATOM 997 CD2 HIS A 67 1.661 -9.008 2.939 1.00 0.00 C ATOM 998 CE1 HIS A 67 3.811 -8.844 3.337 1.00 0.00 C ATOM 999 NE2 HIS A 67 2.688 -9.391 3.766 1.00 0.00 N ATOM 0 H HIS A 67 1.057 -6.941 -1.539 1.00 0.00 H new ATOM 0 HA HIS A 67 1.245 -9.413 -0.101 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.322 -6.994 0.250 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.878 -6.732 1.209 1.00 0.00 H new ATOM 0 HD1 HIS A 67 4.220 -7.586 1.726 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.624 -9.293 3.032 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.785 -8.966 3.786 1.00 0.00 H new ATOM 1007 N LEU A 68 -1.613 -8.018 -0.307 1.00 0.00 N ATOM 1008 CA LEU A 68 -3.019 -8.097 0.075 1.00 0.00 C ATOM 1009 C LEU A 68 -3.379 -9.505 0.537 1.00 0.00 C ATOM 1010 O LEU A 68 -4.341 -9.698 1.281 1.00 0.00 O ATOM 1011 CB LEU A 68 -3.910 -7.689 -1.099 1.00 0.00 C ATOM 1012 CG LEU A 68 -4.286 -6.209 -1.175 1.00 0.00 C ATOM 1013 CD1 LEU A 68 -5.547 -5.936 -0.369 1.00 0.00 C ATOM 1014 CD2 LEU A 68 -3.137 -5.342 -0.682 1.00 0.00 C ATOM 0 H LEU A 68 -1.437 -7.490 -1.162 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.184 -7.409 0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.404 -7.963 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.828 -8.274 -1.053 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.485 -5.957 -2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.799 -4.878 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.369 -6.530 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.378 -6.204 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.422 -4.292 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.907 -5.596 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.258 -5.516 -1.302 1.00 0.00 H new ATOM 1026 N SER A 69 -2.600 -10.486 0.092 1.00 0.00 N ATOM 1027 CA SER A 69 -2.838 -11.877 0.459 1.00 0.00 C ATOM 1028 C SER A 69 -3.083 -12.009 1.959 1.00 0.00 C ATOM 1029 O SER A 69 -3.884 -12.834 2.399 1.00 0.00 O ATOM 1030 CB SER A 69 -1.648 -12.746 0.046 1.00 0.00 C ATOM 1031 OG SER A 69 -1.367 -12.603 -1.335 1.00 0.00 O ATOM 0 H SER A 69 -1.799 -10.343 -0.523 1.00 0.00 H new ATOM 0 HA SER A 69 -3.729 -12.219 -0.068 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.771 -12.467 0.630 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.862 -13.791 0.271 1.00 0.00 H new ATOM 0 HG SER A 69 -0.602 -13.167 -1.573 1.00 0.00 H new ATOM 1037 N HIS A 70 -2.385 -11.190 2.740 1.00 0.00 N ATOM 1038 CA HIS A 70 -2.526 -11.215 4.192 1.00 0.00 C ATOM 1039 C HIS A 70 -3.549 -10.182 4.656 1.00 0.00 C ATOM 1040 O HIS A 70 -4.139 -9.468 3.844 1.00 0.00 O ATOM 1041 CB HIS A 70 -1.177 -10.949 4.861 1.00 0.00 C ATOM 1042 CG HIS A 70 -0.329 -12.175 5.006 1.00 0.00 C ATOM 1043 ND1 HIS A 70 1.011 -12.130 5.327 1.00 0.00 N ATOM 1044 CD2 HIS A 70 -0.639 -13.486 4.874 1.00 0.00 C ATOM 1045 CE1 HIS A 70 1.489 -13.360 5.385 1.00 0.00 C ATOM 1046 NE2 HIS A 70 0.508 -14.202 5.114 1.00 0.00 N ATOM 0 H HIS A 70 -1.717 -10.502 2.392 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.878 -12.205 4.481 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.632 -10.207 4.278 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.348 -10.517 5.847 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.608 -13.893 4.626 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.509 -13.631 5.615 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.589 -15.218 5.087 1.00 0.00 H new ATOM 1054 N THR A 71 -3.756 -10.108 5.967 1.00 0.00 N ATOM 1055 CA THR A 71 -4.708 -9.164 6.539 1.00 0.00 C ATOM 1056 C THR A 71 -4.054 -7.812 6.799 1.00 0.00 C ATOM 1057 O THR A 71 -3.292 -7.654 7.753 1.00 0.00 O ATOM 1058 CB THR A 71 -5.304 -9.696 7.856 1.00 0.00 C ATOM 1059 OG1 THR A 71 -5.719 -11.056 7.692 1.00 0.00 O ATOM 1060 CG2 THR A 71 -6.488 -8.848 8.296 1.00 0.00 C ATOM 0 H THR A 71 -3.277 -10.691 6.653 1.00 0.00 H new ATOM 0 HA THR A 71 -5.509 -9.042 5.810 1.00 0.00 H new ATOM 0 HB THR A 71 -4.534 -9.642 8.625 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.095 -11.387 8.534 1.00 0.00 H new ATOM 0 HG21 THR A 71 -6.892 -9.243 9.228 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.162 -7.819 8.449 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.260 -8.873 7.527 1.00 0.00 H new ATOM 1068 N PHE A 72 -4.357 -6.839 5.946 1.00 0.00 N ATOM 1069 CA PHE A 72 -3.798 -5.500 6.084 1.00 0.00 C ATOM 1070 C PHE A 72 -4.823 -4.541 6.683 1.00 0.00 C ATOM 1071 O PHE A 72 -6.002 -4.875 6.811 1.00 0.00 O ATOM 1072 CB PHE A 72 -3.328 -4.978 4.725 1.00 0.00 C ATOM 1073 CG PHE A 72 -1.900 -5.321 4.412 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -1.424 -6.608 4.606 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -1.032 -4.357 3.924 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -0.110 -6.928 4.319 1.00 0.00 C ATOM 1077 CE2 PHE A 72 0.282 -4.671 3.635 1.00 0.00 C ATOM 1078 CZ PHE A 72 0.744 -5.957 3.833 1.00 0.00 C ATOM 0 H PHE A 72 -4.987 -6.953 5.152 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.944 -5.558 6.759 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.971 -5.387 3.946 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.447 -3.895 4.700 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.088 -7.370 4.986 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.387 -3.349 3.768 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.248 -7.935 4.474 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.948 -3.911 3.254 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.771 -6.203 3.608 1.00 0.00 H new ATOM 1088 N THR A 73 -4.366 -3.348 7.050 1.00 0.00 N ATOM 1089 CA THR A 73 -5.241 -2.341 7.636 1.00 0.00 C ATOM 1090 C THR A 73 -4.711 -0.935 7.380 1.00 0.00 C ATOM 1091 O THR A 73 -3.515 -0.677 7.520 1.00 0.00 O ATOM 1092 CB THR A 73 -5.399 -2.550 9.154 1.00 0.00 C ATOM 1093 OG1 THR A 73 -4.111 -2.681 9.767 1.00 0.00 O ATOM 1094 CG2 THR A 73 -6.233 -3.788 9.447 1.00 0.00 C ATOM 0 H THR A 73 -3.394 -3.056 6.951 1.00 0.00 H new ATOM 0 HA THR A 73 -6.214 -2.451 7.158 1.00 0.00 H new ATOM 0 HB THR A 73 -5.911 -1.681 9.566 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.780 -1.795 10.025 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.330 -3.914 10.525 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.222 -3.673 9.004 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.745 -4.665 9.022 1.00 0.00 H new ATOM 1102 N PHE A 74 -5.608 -0.029 7.005 1.00 0.00 N ATOM 1103 CA PHE A 74 -5.229 1.352 6.729 1.00 0.00 C ATOM 1104 C PHE A 74 -5.660 2.272 7.868 1.00 0.00 C ATOM 1105 O PHE A 74 -6.684 2.042 8.512 1.00 0.00 O ATOM 1106 CB PHE A 74 -5.856 1.822 5.414 1.00 0.00 C ATOM 1107 CG PHE A 74 -7.289 2.247 5.552 1.00 0.00 C ATOM 1108 CD1 PHE A 74 -8.315 1.325 5.419 1.00 0.00 C ATOM 1109 CD2 PHE A 74 -7.612 3.569 5.812 1.00 0.00 C ATOM 1110 CE1 PHE A 74 -9.636 1.713 5.545 1.00 0.00 C ATOM 1111 CE2 PHE A 74 -8.930 3.963 5.940 1.00 0.00 C ATOM 1112 CZ PHE A 74 -9.944 3.034 5.805 1.00 0.00 C ATOM 0 H PHE A 74 -6.602 -0.226 6.885 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.143 1.394 6.642 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.274 2.656 5.021 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.793 1.016 4.682 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.080 0.291 5.214 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.824 4.300 5.916 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.426 0.984 5.440 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.168 4.996 6.145 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.975 3.340 5.903 1.00 0.00 H new ATOM 1122 N ARG A 75 -4.871 3.313 8.110 1.00 0.00 N ATOM 1123 CA ARG A 75 -5.169 4.267 9.172 1.00 0.00 C ATOM 1124 C ARG A 75 -5.777 5.544 8.600 1.00 0.00 C ATOM 1125 O ARG A 75 -5.944 5.674 7.388 1.00 0.00 O ATOM 1126 CB ARG A 75 -3.899 4.601 9.958 1.00 0.00 C ATOM 1127 CG ARG A 75 -3.687 3.717 11.176 1.00 0.00 C ATOM 1128 CD ARG A 75 -3.049 4.489 12.320 1.00 0.00 C ATOM 1129 NE ARG A 75 -1.637 4.768 12.071 1.00 0.00 N ATOM 1130 CZ ARG A 75 -0.761 5.037 13.033 1.00 0.00 C ATOM 1131 NH1 ARG A 75 -1.149 5.062 14.300 1.00 0.00 N ATOM 1132 NH2 ARG A 75 0.507 5.280 12.727 1.00 0.00 N ATOM 0 H ARG A 75 -4.021 3.518 7.585 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.894 3.809 9.845 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.037 4.507 9.297 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.943 5.642 10.278 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.644 3.308 11.501 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.053 2.872 10.908 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.584 5.427 12.467 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.148 3.918 13.243 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.306 4.756 11.106 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.123 4.874 14.539 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.474 5.269 15.036 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.809 5.260 11.753 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.179 5.487 13.466 1.00 0.00 H new ATOM 1146 N GLU A 76 -6.105 6.483 9.482 1.00 0.00 N ATOM 1147 CA GLU A 76 -6.696 7.749 9.064 1.00 0.00 C ATOM 1148 C GLU A 76 -6.026 8.923 9.773 1.00 0.00 C ATOM 1149 O GLU A 76 -5.274 8.737 10.730 1.00 0.00 O ATOM 1150 CB GLU A 76 -8.199 7.756 9.353 1.00 0.00 C ATOM 1151 CG GLU A 76 -9.015 6.958 8.350 1.00 0.00 C ATOM 1152 CD GLU A 76 -10.502 7.000 8.642 1.00 0.00 C ATOM 1153 OE1 GLU A 76 -10.912 6.488 9.705 1.00 0.00 O ATOM 1154 OE2 GLU A 76 -11.255 7.545 7.809 1.00 0.00 O ATOM 0 H GLU A 76 -5.972 6.391 10.489 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.539 7.857 7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.370 7.353 10.351 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.554 8.786 9.360 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.834 7.348 7.348 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.677 5.922 8.355 1.00 0.00 H new ATOM 1161 N LYS A 77 -6.303 10.131 9.296 1.00 0.00 N ATOM 1162 CA LYS A 77 -5.729 11.336 9.883 1.00 0.00 C ATOM 1163 C LYS A 77 -5.876 11.326 11.401 1.00 0.00 C ATOM 1164 O LYS A 77 -6.667 10.560 11.952 1.00 0.00 O ATOM 1165 CB LYS A 77 -6.403 12.582 9.302 1.00 0.00 C ATOM 1166 CG LYS A 77 -7.911 12.596 9.482 1.00 0.00 C ATOM 1167 CD LYS A 77 -8.551 13.750 8.729 1.00 0.00 C ATOM 1168 CE LYS A 77 -10.061 13.767 8.912 1.00 0.00 C ATOM 1169 NZ LYS A 77 -10.446 14.061 10.320 1.00 0.00 N ATOM 0 H LYS A 77 -6.922 10.302 8.504 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.667 11.358 9.639 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.980 13.468 9.776 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.172 12.648 8.239 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.329 11.653 9.129 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.151 12.674 10.542 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.130 14.692 9.080 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.313 13.670 7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.498 14.516 8.252 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.473 12.802 8.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.471 14.231 10.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.199 13.251 10.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.938 14.906 10.650 1.00 0.00 H new ATOM 1183 N ARG A 78 -5.111 12.181 12.071 1.00 0.00 N ATOM 1184 CA ARG A 78 -5.157 12.270 13.525 1.00 0.00 C ATOM 1185 C ARG A 78 -6.583 12.090 14.036 1.00 0.00 C ATOM 1186 O ARG A 78 -7.548 12.348 13.317 1.00 0.00 O ATOM 1187 CB ARG A 78 -4.603 13.617 13.993 1.00 0.00 C ATOM 1188 CG ARG A 78 -3.894 13.551 15.336 1.00 0.00 C ATOM 1189 CD ARG A 78 -2.431 13.167 15.175 1.00 0.00 C ATOM 1190 NE ARG A 78 -1.701 14.127 14.352 1.00 0.00 N ATOM 1191 CZ ARG A 78 -1.104 15.209 14.840 1.00 0.00 C ATOM 1192 NH1 ARG A 78 -1.151 15.467 16.139 1.00 0.00 N ATOM 1193 NH2 ARG A 78 -0.458 16.036 14.027 1.00 0.00 N ATOM 0 H ARG A 78 -4.452 12.822 11.630 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.539 11.469 13.932 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.908 13.995 13.243 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.422 14.334 14.059 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.965 14.518 15.834 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.394 12.825 15.977 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.963 13.102 16.157 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.364 12.177 14.724 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.646 13.958 13.348 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.646 14.834 16.767 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.692 16.298 16.511 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.420 15.841 13.027 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.000 16.866 14.403 1.00 0.00 H new ATOM 1207 N ASN A 79 -6.709 11.644 15.282 1.00 0.00 N ATOM 1208 CA ASN A 79 -8.017 11.429 15.889 1.00 0.00 C ATOM 1209 C ASN A 79 -8.772 10.313 15.172 1.00 0.00 C ATOM 1210 O ASN A 79 -9.965 10.435 14.898 1.00 0.00 O ATOM 1211 CB ASN A 79 -8.838 12.719 15.853 1.00 0.00 C ATOM 1212 CG ASN A 79 -9.996 12.695 16.832 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -9.849 12.259 17.974 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -11.156 13.164 16.387 1.00 0.00 N ATOM 0 H ASN A 79 -5.921 11.425 15.891 1.00 0.00 H new ATOM 0 HA ASN A 79 -7.864 11.133 16.927 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -8.190 13.565 16.082 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -9.221 12.874 14.845 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -11.971 13.173 17.000 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -11.232 13.516 15.432 1.00 0.00 H new ATOM 1221 N GLN A 80 -8.067 9.227 14.871 1.00 0.00 N ATOM 1222 CA GLN A 80 -8.670 8.090 14.186 1.00 0.00 C ATOM 1223 C GLN A 80 -8.020 6.783 14.625 1.00 0.00 C ATOM 1224 O GLN A 80 -7.174 6.767 15.519 1.00 0.00 O ATOM 1225 CB GLN A 80 -8.542 8.255 12.671 1.00 0.00 C ATOM 1226 CG GLN A 80 -9.163 9.538 12.143 1.00 0.00 C ATOM 1227 CD GLN A 80 -10.665 9.587 12.348 1.00 0.00 C ATOM 1228 OE1 GLN A 80 -11.202 10.574 12.850 1.00 0.00 O ATOM 1229 NE2 GLN A 80 -11.351 8.518 11.960 1.00 0.00 N ATOM 0 H GLN A 80 -7.078 9.111 15.091 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.726 8.055 14.452 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.487 8.234 12.400 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.014 7.404 12.180 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.704 10.391 12.642 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.942 9.634 11.080 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.864 7.722 11.548 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.364 8.493 12.074 1.00 0.00 H new ATOM 1238 N LYS A 81 -8.420 5.686 13.990 1.00 0.00 N ATOM 1239 CA LYS A 81 -7.877 4.373 14.313 1.00 0.00 C ATOM 1240 C LYS A 81 -7.863 3.472 13.082 1.00 0.00 C ATOM 1241 O LYS A 81 -8.583 3.717 12.114 1.00 0.00 O ATOM 1242 CB LYS A 81 -8.696 3.719 15.427 1.00 0.00 C ATOM 1243 CG LYS A 81 -10.190 3.700 15.153 1.00 0.00 C ATOM 1244 CD LYS A 81 -10.594 2.476 14.349 1.00 0.00 C ATOM 1245 CE LYS A 81 -12.070 2.154 14.526 1.00 0.00 C ATOM 1246 NZ LYS A 81 -12.397 1.810 15.938 1.00 0.00 N ATOM 0 H LYS A 81 -9.119 5.681 13.248 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.851 4.507 14.656 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.348 2.696 15.569 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.513 4.251 16.361 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -10.734 3.712 16.097 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.473 4.602 14.611 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.382 2.647 13.294 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.994 1.621 14.660 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.668 3.009 14.213 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.340 1.321 13.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.246 1.210 15.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.599 1.297 16.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.574 2.682 16.476 1.00 0.00 H new ATOM 1260 N TRP A 82 -7.042 2.429 13.127 1.00 0.00 N ATOM 1261 CA TRP A 82 -6.937 1.491 12.015 1.00 0.00 C ATOM 1262 C TRP A 82 -8.317 1.038 11.552 1.00 0.00 C ATOM 1263 O TRP A 82 -9.265 1.006 12.337 1.00 0.00 O ATOM 1264 CB TRP A 82 -6.099 0.278 12.422 1.00 0.00 C ATOM 1265 CG TRP A 82 -4.678 0.621 12.754 1.00 0.00 C ATOM 1266 CD1 TRP A 82 -4.162 0.865 13.995 1.00 0.00 C ATOM 1267 CD2 TRP A 82 -3.592 0.761 11.831 1.00 0.00 C ATOM 1268 NE1 TRP A 82 -2.821 1.148 13.899 1.00 0.00 N ATOM 1269 CE2 TRP A 82 -2.447 1.090 12.583 1.00 0.00 C ATOM 1270 CE3 TRP A 82 -3.476 0.639 10.444 1.00 0.00 C ATOM 1271 CZ2 TRP A 82 -1.204 1.298 11.991 1.00 0.00 C ATOM 1272 CZ3 TRP A 82 -2.241 0.846 9.859 1.00 0.00 C ATOM 1273 CH2 TRP A 82 -1.119 1.172 10.631 1.00 0.00 C ATOM 0 H TRP A 82 -6.440 2.211 13.921 1.00 0.00 H new ATOM 0 HA TRP A 82 -6.446 2.002 11.187 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -6.561 -0.200 13.286 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.109 -0.450 11.611 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -4.725 0.839 14.916 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -2.204 1.366 14.681 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -4.335 0.388 9.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -0.337 1.550 12.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -2.139 0.755 8.788 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -0.168 1.327 10.143 1.00 0.00 H new ATOM 1284 N ARG A 83 -8.423 0.690 10.274 1.00 0.00 N ATOM 1285 CA ARG A 83 -9.689 0.241 9.707 1.00 0.00 C ATOM 1286 C ARG A 83 -9.500 -1.043 8.903 1.00 0.00 C ATOM 1287 O ARG A 83 -8.562 -1.160 8.115 1.00 0.00 O ATOM 1288 CB ARG A 83 -10.288 1.329 8.815 1.00 0.00 C ATOM 1289 CG ARG A 83 -10.336 2.698 9.474 1.00 0.00 C ATOM 1290 CD ARG A 83 -11.494 3.531 8.946 1.00 0.00 C ATOM 1291 NE ARG A 83 -12.750 2.785 8.945 1.00 0.00 N ATOM 1292 CZ ARG A 83 -13.468 2.555 10.039 1.00 0.00 C ATOM 1293 NH1 ARG A 83 -13.057 3.012 11.214 1.00 0.00 N ATOM 1294 NH2 ARG A 83 -14.600 1.868 9.958 1.00 0.00 N ATOM 0 H ARG A 83 -7.648 0.710 9.612 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.374 0.037 10.530 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.704 1.397 7.897 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -11.298 1.037 8.529 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.434 2.580 10.553 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.398 3.223 9.294 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.605 4.426 9.558 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.269 3.863 7.933 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.094 2.421 8.057 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.188 3.542 11.280 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.610 2.834 12.052 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -14.920 1.516 9.056 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.151 1.692 10.798 1.00 0.00 H new ATOM 1308 N SER A 84 -10.396 -2.002 9.110 1.00 0.00 N ATOM 1309 CA SER A 84 -10.325 -3.278 8.409 1.00 0.00 C ATOM 1310 C SER A 84 -10.614 -3.098 6.921 1.00 0.00 C ATOM 1311 O SER A 84 -11.718 -2.712 6.534 1.00 0.00 O ATOM 1312 CB SER A 84 -11.317 -4.273 9.015 1.00 0.00 C ATOM 1313 OG SER A 84 -12.653 -3.839 8.830 1.00 0.00 O ATOM 0 H SER A 84 -11.180 -1.920 9.758 1.00 0.00 H new ATOM 0 HA SER A 84 -9.314 -3.669 8.521 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.182 -5.252 8.554 1.00 0.00 H new ATOM 0 HB3 SER A 84 -11.114 -4.391 10.079 1.00 0.00 H new ATOM 0 HG SER A 84 -12.736 -3.398 7.959 1.00 0.00 H new ATOM 1319 N LEU A 85 -9.614 -3.379 6.093 1.00 0.00 N ATOM 1320 CA LEU A 85 -9.759 -3.248 4.647 1.00 0.00 C ATOM 1321 C LEU A 85 -10.688 -4.324 4.093 1.00 0.00 C ATOM 1322 O LEU A 85 -11.019 -5.287 4.784 1.00 0.00 O ATOM 1323 CB LEU A 85 -8.392 -3.340 3.968 1.00 0.00 C ATOM 1324 CG LEU A 85 -7.424 -2.189 4.247 1.00 0.00 C ATOM 1325 CD1 LEU A 85 -5.985 -2.677 4.196 1.00 0.00 C ATOM 1326 CD2 LEU A 85 -7.642 -1.057 3.254 1.00 0.00 C ATOM 0 H LEU A 85 -8.695 -3.699 6.398 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.198 -2.272 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.917 -4.271 4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.547 -3.404 2.891 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.621 -1.809 5.249 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.311 -1.844 4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.837 -3.453 4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.774 -3.084 3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.945 -0.247 3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.473 -1.424 2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.664 -0.689 3.341 1.00 0.00 H new ATOM 1338 N GLU A 86 -11.103 -4.153 2.842 1.00 0.00 N ATOM 1339 CA GLU A 86 -11.993 -5.110 2.195 1.00 0.00 C ATOM 1340 C GLU A 86 -11.197 -6.227 1.526 1.00 0.00 C ATOM 1341 O GLU A 86 -10.275 -5.969 0.751 1.00 0.00 O ATOM 1342 CB GLU A 86 -12.872 -4.405 1.161 1.00 0.00 C ATOM 1343 CG GLU A 86 -12.083 -3.658 0.099 1.00 0.00 C ATOM 1344 CD GLU A 86 -12.976 -2.938 -0.894 1.00 0.00 C ATOM 1345 OE1 GLU A 86 -14.087 -2.526 -0.501 1.00 0.00 O ATOM 1346 OE2 GLU A 86 -12.563 -2.788 -2.063 1.00 0.00 O ATOM 0 H GLU A 86 -10.837 -3.361 2.256 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.630 -5.551 2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.510 -5.143 0.675 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.530 -3.703 1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.426 -2.935 0.582 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.445 -4.361 -0.436 1.00 0.00 H new ATOM 1353 N LYS A 87 -11.559 -7.468 1.831 1.00 0.00 N ATOM 1354 CA LYS A 87 -10.881 -8.626 1.259 1.00 0.00 C ATOM 1355 C LYS A 87 -11.151 -8.730 -0.238 1.00 0.00 C ATOM 1356 O LYS A 87 -12.041 -9.464 -0.668 1.00 0.00 O ATOM 1357 CB LYS A 87 -11.337 -9.907 1.961 1.00 0.00 C ATOM 1358 CG LYS A 87 -10.537 -10.233 3.211 1.00 0.00 C ATOM 1359 CD LYS A 87 -11.332 -11.103 4.170 1.00 0.00 C ATOM 1360 CE LYS A 87 -11.128 -12.582 3.880 1.00 0.00 C ATOM 1361 NZ LYS A 87 -9.863 -13.094 4.475 1.00 0.00 N ATOM 0 H LYS A 87 -12.319 -7.698 2.472 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.809 -8.499 1.408 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.389 -9.810 2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -11.261 -10.741 1.263 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.616 -10.745 2.932 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.248 -9.308 3.711 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.030 -10.887 5.195 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.391 -10.858 4.092 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.971 -13.149 4.275 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.113 -12.742 2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.760 -14.105 4.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.056 -12.570 4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.887 -12.965 5.507 1.00 0.00 H new ATOM 1375 N ARG A 88 -10.377 -7.993 -1.028 1.00 0.00 N ATOM 1376 CA ARG A 88 -10.533 -8.003 -2.477 1.00 0.00 C ATOM 1377 C ARG A 88 -9.216 -8.356 -3.163 1.00 0.00 C ATOM 1378 O ARG A 88 -8.139 -8.028 -2.666 1.00 0.00 O ATOM 1379 CB ARG A 88 -11.027 -6.641 -2.968 1.00 0.00 C ATOM 1380 CG ARG A 88 -12.541 -6.537 -3.051 1.00 0.00 C ATOM 1381 CD ARG A 88 -13.171 -6.455 -1.670 1.00 0.00 C ATOM 1382 NE ARG A 88 -14.626 -6.570 -1.724 1.00 0.00 N ATOM 1383 CZ ARG A 88 -15.375 -6.920 -0.684 1.00 0.00 C ATOM 1384 NH1 ARG A 88 -14.808 -7.188 0.485 1.00 0.00 N ATOM 1385 NH2 ARG A 88 -16.693 -7.002 -0.811 1.00 0.00 N ATOM 0 H ARG A 88 -9.635 -7.381 -0.688 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.271 -8.763 -2.732 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -10.654 -5.866 -2.299 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -10.603 -6.443 -3.953 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -12.815 -5.655 -3.630 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.938 -7.402 -3.582 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.768 -7.248 -1.040 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.899 -5.508 -1.203 1.00 0.00 H new ATOM 0 HE ARG A 88 -15.093 -6.371 -2.609 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.795 -7.126 0.587 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -15.385 -7.456 1.282 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -17.133 -6.796 -1.708 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.267 -7.271 -0.012 1.00 0.00 H new ATOM 1399 N ALA A 89 -9.311 -9.026 -4.306 1.00 0.00 N ATOM 1400 CA ALA A 89 -8.129 -9.422 -5.061 1.00 0.00 C ATOM 1401 C ALA A 89 -7.211 -10.303 -4.221 1.00 0.00 C ATOM 1402 O ALA A 89 -5.992 -10.130 -4.226 1.00 0.00 O ATOM 1403 CB ALA A 89 -7.379 -8.191 -5.550 1.00 0.00 C ATOM 0 H ALA A 89 -10.195 -9.306 -4.730 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.456 -10.002 -5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.498 -8.501 -6.112 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.031 -7.600 -6.193 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.070 -7.590 -4.695 1.00 0.00 H new ATOM 1409 N ASP A 90 -7.804 -11.249 -3.500 1.00 0.00 N ATOM 1410 CA ASP A 90 -7.040 -12.158 -2.655 1.00 0.00 C ATOM 1411 C ASP A 90 -6.510 -13.337 -3.465 1.00 0.00 C ATOM 1412 O ASP A 90 -7.209 -14.330 -3.663 1.00 0.00 O ATOM 1413 CB ASP A 90 -7.905 -12.665 -1.501 1.00 0.00 C ATOM 1414 CG ASP A 90 -7.095 -13.389 -0.444 1.00 0.00 C ATOM 1415 OD1 ASP A 90 -6.188 -14.163 -0.817 1.00 0.00 O ATOM 1416 OD2 ASP A 90 -7.367 -13.182 0.757 1.00 0.00 O ATOM 0 H ASP A 90 -8.812 -11.406 -3.484 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.191 -11.608 -2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.424 -11.823 -1.043 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.669 -13.337 -1.892 1.00 0.00 H new ATOM 1421 N GLU A 91 -5.271 -13.219 -3.932 1.00 0.00 N ATOM 1422 CA GLU A 91 -4.649 -14.275 -4.723 1.00 0.00 C ATOM 1423 C GLU A 91 -4.269 -15.462 -3.842 1.00 0.00 C ATOM 1424 O GLU A 91 -3.712 -15.292 -2.758 1.00 0.00 O ATOM 1425 CB GLU A 91 -3.408 -13.741 -5.441 1.00 0.00 C ATOM 1426 CG GLU A 91 -2.757 -14.755 -6.367 1.00 0.00 C ATOM 1427 CD GLU A 91 -1.650 -14.151 -7.208 1.00 0.00 C ATOM 1428 OE1 GLU A 91 -0.855 -13.358 -6.660 1.00 0.00 O ATOM 1429 OE2 GLU A 91 -1.578 -14.470 -8.413 1.00 0.00 O ATOM 0 H GLU A 91 -4.678 -12.403 -3.777 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.372 -14.612 -5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.684 -12.859 -6.019 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.679 -13.420 -4.698 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.351 -15.575 -5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.516 -15.181 -7.024 1.00 0.00 H new ATOM 1436 N VAL A 92 -4.575 -16.665 -4.317 1.00 0.00 N ATOM 1437 CA VAL A 92 -4.266 -17.881 -3.574 1.00 0.00 C ATOM 1438 C VAL A 92 -2.922 -18.460 -4.003 1.00 0.00 C ATOM 1439 O VAL A 92 -2.338 -19.286 -3.301 1.00 0.00 O ATOM 1440 CB VAL A 92 -5.358 -18.950 -3.767 1.00 0.00 C ATOM 1441 CG1 VAL A 92 -6.705 -18.430 -3.287 1.00 0.00 C ATOM 1442 CG2 VAL A 92 -5.432 -19.379 -5.225 1.00 0.00 C ATOM 0 H VAL A 92 -5.036 -16.824 -5.213 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.221 -17.605 -2.520 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.098 -19.823 -3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.464 -19.199 -3.431 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.641 -18.177 -2.229 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.976 -17.541 -3.857 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.209 -20.135 -5.343 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.668 -18.516 -5.847 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.472 -19.795 -5.531 1.00 0.00 H new ATOM 1452 N SER A 93 -2.437 -18.021 -5.160 1.00 0.00 N ATOM 1453 CA SER A 93 -1.163 -18.499 -5.685 1.00 0.00 C ATOM 1454 C SER A 93 -0.040 -18.267 -4.678 1.00 0.00 C ATOM 1455 O SER A 93 -0.090 -17.333 -3.879 1.00 0.00 O ATOM 1456 CB SER A 93 -0.835 -17.795 -7.003 1.00 0.00 C ATOM 1457 OG SER A 93 0.195 -18.473 -7.701 1.00 0.00 O ATOM 0 H SER A 93 -2.907 -17.335 -5.752 1.00 0.00 H new ATOM 0 HA SER A 93 -1.250 -19.570 -5.865 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.729 -17.746 -7.625 1.00 0.00 H new ATOM 0 HB3 SER A 93 -0.529 -16.768 -6.804 1.00 0.00 H new ATOM 0 HG SER A 93 0.385 -18.004 -8.540 1.00 0.00 H new ATOM 1463 N GLY A 94 0.974 -19.127 -4.724 1.00 0.00 N ATOM 1464 CA GLY A 94 2.095 -19.000 -3.812 1.00 0.00 C ATOM 1465 C GLY A 94 3.247 -18.219 -4.414 1.00 0.00 C ATOM 1466 O GLY A 94 3.977 -18.711 -5.274 1.00 0.00 O ATOM 0 H GLY A 94 1.038 -19.908 -5.376 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.763 -18.506 -2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 94 2.443 -19.993 -3.528 1.00 0.00 H new ATOM 1470 N PRO A 95 3.420 -16.969 -3.959 1.00 0.00 N ATOM 1471 CA PRO A 95 4.488 -16.091 -4.445 1.00 0.00 C ATOM 1472 C PRO A 95 5.869 -16.552 -3.992 1.00 0.00 C ATOM 1473 O PRO A 95 6.006 -17.591 -3.346 1.00 0.00 O ATOM 1474 CB PRO A 95 4.146 -14.736 -3.821 1.00 0.00 C ATOM 1475 CG PRO A 95 3.357 -15.069 -2.602 1.00 0.00 C ATOM 1476 CD PRO A 95 2.587 -16.317 -2.935 1.00 0.00 C ATOM 0 HA PRO A 95 4.537 -16.074 -5.534 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.047 -14.177 -3.569 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.570 -14.117 -4.509 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.012 -15.231 -1.746 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.683 -14.254 -2.338 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.455 -16.953 -2.060 1.00 0.00 H new ATOM 0 HD3 PRO A 95 1.592 -16.086 -3.314 1.00 0.00 H new ATOM 1484 N SER A 96 6.890 -15.773 -4.334 1.00 0.00 N ATOM 1485 CA SER A 96 8.262 -16.103 -3.965 1.00 0.00 C ATOM 1486 C SER A 96 8.877 -14.997 -3.113 1.00 0.00 C ATOM 1487 O SER A 96 9.332 -15.239 -1.995 1.00 0.00 O ATOM 1488 CB SER A 96 9.109 -16.330 -5.218 1.00 0.00 C ATOM 1489 OG SER A 96 8.995 -15.239 -6.115 1.00 0.00 O ATOM 0 H SER A 96 6.793 -14.908 -4.866 1.00 0.00 H new ATOM 0 HA SER A 96 8.243 -17.021 -3.378 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.153 -16.465 -4.935 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.792 -17.247 -5.714 1.00 0.00 H new ATOM 0 HG SER A 96 9.547 -15.408 -6.907 1.00 0.00 H new ATOM 1495 N SER A 97 8.887 -13.781 -3.652 1.00 0.00 N ATOM 1496 CA SER A 97 9.450 -12.637 -2.944 1.00 0.00 C ATOM 1497 C SER A 97 8.525 -11.428 -3.045 1.00 0.00 C ATOM 1498 O SER A 97 7.526 -11.454 -3.763 1.00 0.00 O ATOM 1499 CB SER A 97 10.828 -12.288 -3.510 1.00 0.00 C ATOM 1500 OG SER A 97 10.712 -11.560 -4.720 1.00 0.00 O ATOM 0 H SER A 97 8.512 -13.563 -4.575 1.00 0.00 H new ATOM 0 HA SER A 97 9.555 -12.906 -1.893 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.386 -11.701 -2.781 1.00 0.00 H new ATOM 0 HB3 SER A 97 11.395 -13.202 -3.685 1.00 0.00 H new ATOM 0 HG SER A 97 11.606 -11.347 -5.061 1.00 0.00 H new ATOM 1506 N GLY A 98 8.866 -10.368 -2.319 1.00 0.00 N ATOM 1507 CA GLY A 98 8.057 -9.163 -2.339 1.00 0.00 C ATOM 1508 C GLY A 98 8.883 -7.907 -2.145 1.00 0.00 C ATOM 1509 O GLY A 98 9.968 -7.809 -2.716 1.00 0.00 O ATOM 0 H GLY A 98 9.688 -10.322 -1.717 1.00 0.00 H new ATOM 0 HA2 GLY A 98 7.526 -9.102 -3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.302 -9.223 -1.555 1.00 0.00 H new TER 1513 GLY A 98 HETATM 1514 ZN ZN A 201 5.366 1.176 -1.477 1.00 0.00 ZN HETATM 1515 ZN ZN A 401 2.068 -10.373 5.461 1.00 0.00 ZN