USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 480 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 51 HIS : no HD1:sc= -0.308 X(o=3.4,f=3.2) USER MOD Set 1.2: A 52 SER OG : rot 175:sc= 2.46 USER MOD Set 1.3: A 55 SER OG : rot -84:sc= 1.25 USER MOD Set 2.1: A 29 SER OG : rot -110:sc= -0.655 USER MOD Set 2.2: A 36 HIS : no HE2:sc= 0.482 K(o=-0.17,f=-8.8!) USER MOD Single : A 1 GLU N :NH3+ 150:sc= 1.85 (180deg=1.32!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0.491 X(o=0.49,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 1.09 K(o=1.1,f=-0.025) USER MOD Single : A 34 GLN : amide:sc= 0.347 K(o=0.35,f=-7.9!) USER MOD Single : A 40 TYR OH : rot -40:sc= 0.654 USER MOD Single : A 46 ASN : amide:sc= -1.19! K(o=-1.2!,f=-2) USER MOD Single : A 48 ASN : amide:sc= 1.25 K(o=1.3,f=-7!) USER MOD Single : A 49 ASN : amide:sc= -0.076 K(o=-0.076,f=-2.2) USER MOD Single : A 65 HIS : no HE2:sc= 0.0338 K(o=0.034,f=-3.8!) USER MOD Single : A 66 HIS : no HE2:sc= -0.203 K(o=-0.2,f=-1.7) USER MOD Single : A 67 HIS : no HE2:sc= 0.347 K(o=0.35,f=-4.3!) USER MOD Single : A 68 HIS : no HE2:sc= 0.672 K(o=0.67,f=-3.6!) USER MOD Single : A 69 HIS : no HD1:sc= -1.65 K(o=-0.6,f=-6.9!) USER MOD Single : A 70 HIS : no HE2:sc= 1.26 K(o=1.3,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 0.667 -8.094 7.694 1.00 1.00 N ATOM 2 CA GLU A 1 0.340 -9.423 7.134 1.00 1.00 C ATOM 3 C GLU A 1 -0.990 -9.986 7.685 1.00 1.00 C ATOM 4 O GLU A 1 -1.089 -11.180 7.985 1.00 1.00 O ATOM 5 CB GLU A 1 1.506 -10.406 7.368 1.00 1.00 C ATOM 6 CG GLU A 1 1.533 -11.526 6.317 1.00 1.00 C ATOM 7 CD GLU A 1 2.305 -12.758 6.793 1.00 1.00 C ATOM 8 OE1 GLU A 1 3.490 -12.626 7.165 1.00 1.00 O ATOM 9 OE2 GLU A 1 1.775 -13.894 6.721 1.00 1.00 O ATOM 0 H1 GLU A 1 1.700 -7.978 7.732 1.00 1.00 H new ATOM 0 H2 GLU A 1 0.257 -7.353 7.090 1.00 1.00 H new ATOM 0 H3 GLU A 1 0.274 -8.015 8.654 1.00 1.00 H new ATOM 0 HA GLU A 1 0.199 -9.299 6.060 1.00 1.00 H new ATOM 0 HB2 GLU A 1 2.450 -9.862 7.342 1.00 1.00 H new ATOM 0 HB3 GLU A 1 1.417 -10.844 8.362 1.00 1.00 H new ATOM 0 HG2 GLU A 1 0.511 -11.814 6.072 1.00 1.00 H new ATOM 0 HG3 GLU A 1 1.987 -11.149 5.400 1.00 1.00 H new ATOM 18 N ALA A 2 -2.016 -9.152 7.852 1.00 1.00 N ATOM 19 CA ALA A 2 -3.377 -9.495 8.258 1.00 1.00 C ATOM 20 C ALA A 2 -4.381 -8.466 7.699 1.00 1.00 C ATOM 21 O ALA A 2 -5.449 -8.272 8.279 1.00 1.00 O ATOM 22 CB ALA A 2 -3.437 -9.554 9.792 1.00 1.00 C ATOM 0 H ALA A 2 -1.910 -8.150 7.696 1.00 1.00 H new ATOM 0 HA ALA A 2 -3.650 -10.470 7.854 1.00 1.00 H new ATOM 0 HB1 ALA A 2 -4.449 -9.809 10.107 1.00 1.00 H new ATOM 0 HB2 ALA A 2 -2.742 -10.311 10.154 1.00 1.00 H new ATOM 0 HB3 ALA A 2 -3.163 -8.583 10.204 1.00 1.00 H new ATOM 28 N GLU A 3 -4.030 -7.775 6.611 1.00 1.00 N ATOM 29 CA GLU A 3 -4.778 -6.675 6.015 1.00 1.00 C ATOM 30 C GLU A 3 -5.472 -7.152 4.732 1.00 1.00 C ATOM 31 O GLU A 3 -6.685 -6.999 4.592 1.00 1.00 O ATOM 32 CB GLU A 3 -3.830 -5.480 5.745 1.00 1.00 C ATOM 33 CG GLU A 3 -2.937 -5.044 6.936 1.00 1.00 C ATOM 34 CD GLU A 3 -1.808 -6.034 7.286 1.00 1.00 C ATOM 35 OE1 GLU A 3 -1.437 -6.886 6.452 1.00 1.00 O ATOM 36 OE2 GLU A 3 -1.312 -6.082 8.430 1.00 1.00 O ATOM 0 H GLU A 3 -3.172 -7.982 6.099 1.00 1.00 H new ATOM 0 HA GLU A 3 -5.551 -6.337 6.706 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -3.184 -5.736 4.905 1.00 1.00 H new ATOM 0 HB3 GLU A 3 -4.432 -4.626 5.435 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -2.494 -4.075 6.706 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -3.567 -4.906 7.815 1.00 1.00 H new ATOM 43 N ALA A 4 -4.727 -7.805 3.829 1.00 1.00 N ATOM 44 CA ALA A 4 -5.174 -8.349 2.539 1.00 1.00 C ATOM 45 C ALA A 4 -6.215 -9.482 2.641 1.00 1.00 C ATOM 46 O ALA A 4 -6.458 -10.211 1.678 1.00 1.00 O ATOM 47 CB ALA A 4 -3.941 -8.848 1.778 1.00 1.00 C ATOM 0 H ALA A 4 -3.735 -7.978 3.990 1.00 1.00 H new ATOM 0 HA ALA A 4 -5.682 -7.540 2.015 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -4.248 -9.257 0.816 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -3.253 -8.018 1.617 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -3.444 -9.624 2.360 1.00 1.00 H new ATOM 53 N GLU A 5 -6.800 -9.691 3.816 1.00 1.00 N ATOM 54 CA GLU A 5 -7.794 -10.720 4.088 1.00 1.00 C ATOM 55 C GLU A 5 -9.139 -10.338 3.467 1.00 1.00 C ATOM 56 O GLU A 5 -9.973 -11.207 3.201 1.00 1.00 O ATOM 57 CB GLU A 5 -7.952 -10.917 5.608 1.00 1.00 C ATOM 58 CG GLU A 5 -6.629 -10.842 6.385 1.00 1.00 C ATOM 59 CD GLU A 5 -5.490 -11.590 5.696 1.00 1.00 C ATOM 60 OE1 GLU A 5 -5.659 -12.796 5.411 1.00 1.00 O ATOM 61 OE2 GLU A 5 -4.423 -10.998 5.426 1.00 1.00 O ATOM 0 H GLU A 5 -6.585 -9.125 4.637 1.00 1.00 H new ATOM 0 HA GLU A 5 -7.456 -11.656 3.643 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -8.633 -10.158 5.994 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -8.416 -11.886 5.793 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -6.346 -9.797 6.511 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -6.776 -11.255 7.383 1.00 1.00 H new ATOM 68 N PHE A 6 -9.323 -9.033 3.263 1.00 1.00 N ATOM 69 CA PHE A 6 -10.413 -8.347 2.605 1.00 1.00 C ATOM 70 C PHE A 6 -9.775 -7.371 1.603 1.00 1.00 C ATOM 71 O PHE A 6 -8.555 -7.352 1.429 1.00 1.00 O ATOM 72 CB PHE A 6 -11.269 -7.659 3.684 1.00 1.00 C ATOM 73 CG PHE A 6 -12.467 -6.895 3.155 1.00 1.00 C ATOM 74 CD1 PHE A 6 -13.573 -7.592 2.634 1.00 1.00 C ATOM 75 CD2 PHE A 6 -12.441 -5.488 3.104 1.00 1.00 C ATOM 76 CE1 PHE A 6 -14.644 -6.885 2.058 1.00 1.00 C ATOM 77 CE2 PHE A 6 -13.505 -4.784 2.518 1.00 1.00 C ATOM 78 CZ PHE A 6 -14.608 -5.481 1.996 1.00 1.00 C ATOM 0 H PHE A 6 -8.628 -8.365 3.596 1.00 1.00 H new ATOM 0 HA PHE A 6 -11.081 -9.010 2.055 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -11.620 -8.415 4.386 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -10.637 -6.971 4.245 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -13.600 -8.671 2.676 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -11.601 -4.949 3.517 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -15.494 -7.421 1.663 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -13.476 -3.706 2.468 1.00 1.00 H new ATOM 0 HZ PHE A 6 -15.427 -4.939 1.548 1.00 1.00 H new ATOM 88 N THR A 7 -10.589 -6.593 0.891 1.00 1.00 N ATOM 89 CA THR A 7 -10.071 -5.550 0.020 1.00 1.00 C ATOM 90 C THR A 7 -9.565 -4.404 0.900 1.00 1.00 C ATOM 91 O THR A 7 -10.348 -3.550 1.318 1.00 1.00 O ATOM 92 CB THR A 7 -11.160 -5.080 -0.957 1.00 1.00 C ATOM 93 OG1 THR A 7 -11.651 -6.197 -1.674 1.00 1.00 O ATOM 94 CG2 THR A 7 -10.615 -4.061 -1.962 1.00 1.00 C ATOM 0 H THR A 7 -11.606 -6.668 0.903 1.00 1.00 H new ATOM 0 HA THR A 7 -9.246 -5.929 -0.584 1.00 1.00 H new ATOM 0 HB THR A 7 -11.951 -4.606 -0.376 1.00 1.00 H new ATOM 0 HG1 THR A 7 -12.348 -5.905 -2.298 1.00 1.00 H new ATOM 0 HG21 THR A 7 -11.414 -3.752 -2.636 1.00 1.00 H new ATOM 0 HG22 THR A 7 -10.234 -3.191 -1.428 1.00 1.00 H new ATOM 0 HG23 THR A 7 -9.809 -4.514 -2.539 1.00 1.00 H new ATOM 102 N ASP A 8 -8.273 -4.417 1.219 1.00 1.00 N ATOM 103 CA ASP A 8 -7.636 -3.315 1.927 1.00 1.00 C ATOM 104 C ASP A 8 -7.475 -2.149 0.934 1.00 1.00 C ATOM 105 O ASP A 8 -7.573 -2.330 -0.291 1.00 1.00 O ATOM 106 CB ASP A 8 -6.279 -3.762 2.506 1.00 1.00 C ATOM 107 CG ASP A 8 -5.507 -2.554 3.043 1.00 1.00 C ATOM 108 OD1 ASP A 8 -6.066 -1.844 3.906 1.00 1.00 O ATOM 109 OD2 ASP A 8 -4.481 -2.204 2.421 1.00 1.00 O ATOM 0 H ASP A 8 -7.643 -5.188 0.995 1.00 1.00 H new ATOM 0 HA ASP A 8 -8.247 -2.992 2.770 1.00 1.00 H new ATOM 0 HB2 ASP A 8 -6.438 -4.486 3.306 1.00 1.00 H new ATOM 0 HB3 ASP A 8 -5.694 -4.263 1.735 1.00 1.00 H new ATOM 114 N ALA A 9 -7.191 -0.946 1.440 1.00 1.00 N ATOM 115 CA ALA A 9 -6.882 0.221 0.632 1.00 1.00 C ATOM 116 C ALA A 9 -5.767 -0.068 -0.374 1.00 1.00 C ATOM 117 O ALA A 9 -5.707 0.608 -1.391 1.00 1.00 O ATOM 118 CB ALA A 9 -6.466 1.397 1.514 1.00 1.00 C ATOM 0 H ALA A 9 -7.171 -0.760 2.443 1.00 1.00 H new ATOM 0 HA ALA A 9 -7.789 0.477 0.085 1.00 1.00 H new ATOM 0 HB1 ALA A 9 -6.239 2.260 0.887 1.00 1.00 H new ATOM 0 HB2 ALA A 9 -7.280 1.647 2.195 1.00 1.00 H new ATOM 0 HB3 ALA A 9 -5.582 1.125 2.090 1.00 1.00 H new ATOM 124 N CYS A 10 -4.898 -1.051 -0.145 1.00 1.00 N ATOM 125 CA CYS A 10 -3.834 -1.426 -1.062 1.00 1.00 C ATOM 126 C CYS A 10 -4.359 -1.696 -2.484 1.00 1.00 C ATOM 127 O CYS A 10 -3.640 -1.473 -3.459 1.00 1.00 O ATOM 128 CB CYS A 10 -3.113 -2.643 -0.476 1.00 1.00 C ATOM 129 SG CYS A 10 -3.953 -4.225 -0.693 1.00 1.00 S ATOM 0 H CYS A 10 -4.918 -1.618 0.702 1.00 1.00 H new ATOM 0 HA CYS A 10 -3.134 -0.597 -1.167 1.00 1.00 H new ATOM 0 HB2 CYS A 10 -2.125 -2.711 -0.931 1.00 1.00 H new ATOM 0 HB3 CYS A 10 -2.962 -2.475 0.590 1.00 1.00 H new ATOM 134 N VAL A 11 -5.599 -2.175 -2.627 1.00 1.00 N ATOM 135 CA VAL A 11 -6.194 -2.482 -3.925 1.00 1.00 C ATOM 136 C VAL A 11 -6.665 -1.189 -4.621 1.00 1.00 C ATOM 137 O VAL A 11 -6.713 -1.118 -5.850 1.00 1.00 O ATOM 138 CB VAL A 11 -7.342 -3.498 -3.718 1.00 1.00 C ATOM 139 CG1 VAL A 11 -7.881 -4.056 -5.046 1.00 1.00 C ATOM 140 CG2 VAL A 11 -6.901 -4.706 -2.865 1.00 1.00 C ATOM 0 H VAL A 11 -6.219 -2.361 -1.839 1.00 1.00 H new ATOM 0 HA VAL A 11 -5.454 -2.935 -4.585 1.00 1.00 H new ATOM 0 HB VAL A 11 -8.122 -2.935 -3.206 1.00 1.00 H new ATOM 0 HG11 VAL A 11 -8.685 -4.764 -4.844 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -8.263 -3.238 -5.656 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -7.077 -4.562 -5.581 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -7.739 -5.393 -2.746 1.00 1.00 H new ATOM 0 HG22 VAL A 11 -6.078 -5.220 -3.361 1.00 1.00 H new ATOM 0 HG23 VAL A 11 -6.574 -4.359 -1.885 1.00 1.00 H new ATOM 150 N LEU A 12 -6.999 -0.156 -3.844 1.00 1.00 N ATOM 151 CA LEU A 12 -7.411 1.165 -4.294 1.00 1.00 C ATOM 152 C LEU A 12 -6.265 1.939 -4.928 1.00 1.00 C ATOM 153 O LEU A 12 -5.190 2.030 -4.341 1.00 1.00 O ATOM 154 CB LEU A 12 -8.103 1.893 -3.135 1.00 1.00 C ATOM 155 CG LEU A 12 -8.227 3.423 -3.056 1.00 1.00 C ATOM 156 CD1 LEU A 12 -9.081 4.038 -4.173 1.00 1.00 C ATOM 157 CD2 LEU A 12 -8.884 3.727 -1.698 1.00 1.00 C ATOM 0 H LEU A 12 -6.987 -0.229 -2.827 1.00 1.00 H new ATOM 0 HA LEU A 12 -8.139 1.071 -5.100 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -9.118 1.498 -3.085 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -7.593 1.578 -2.225 1.00 1.00 H new ATOM 0 HG LEU A 12 -7.235 3.860 -3.169 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -9.120 5.120 -4.047 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -8.640 3.801 -5.141 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -10.091 3.631 -4.125 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -8.999 4.805 -1.583 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -9.863 3.250 -1.653 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -8.255 3.342 -0.895 1.00 1.00 H new ATOM 169 N PRO A 13 -6.474 2.508 -6.127 1.00 1.00 N ATOM 170 CA PRO A 13 -5.502 3.378 -6.769 1.00 1.00 C ATOM 171 C PRO A 13 -5.043 4.499 -5.831 1.00 1.00 C ATOM 172 O PRO A 13 -5.775 4.924 -4.934 1.00 1.00 O ATOM 173 CB PRO A 13 -6.208 3.944 -8.004 1.00 1.00 C ATOM 174 CG PRO A 13 -7.289 2.909 -8.329 1.00 1.00 C ATOM 175 CD PRO A 13 -7.633 2.287 -6.975 1.00 1.00 C ATOM 0 HA PRO A 13 -4.599 2.831 -7.038 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -6.643 4.923 -7.800 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -5.515 4.070 -8.836 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -8.162 3.375 -8.786 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -6.924 2.159 -9.031 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -8.523 2.749 -6.548 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -7.845 1.223 -7.077 1.00 1.00 H new ATOM 183 N ALA A 14 -3.839 5.009 -6.072 1.00 1.00 N ATOM 184 CA ALA A 14 -3.284 6.133 -5.335 1.00 1.00 C ATOM 185 C ALA A 14 -3.720 7.447 -5.994 1.00 1.00 C ATOM 186 O ALA A 14 -4.045 7.466 -7.181 1.00 1.00 O ATOM 187 CB ALA A 14 -1.760 6.009 -5.321 1.00 1.00 C ATOM 0 H ALA A 14 -3.216 4.647 -6.794 1.00 1.00 H new ATOM 0 HA ALA A 14 -3.650 6.130 -4.308 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -1.332 6.847 -4.771 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -1.475 5.074 -4.838 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -1.385 6.017 -6.344 1.00 1.00 H new ATOM 193 N VAL A 15 -3.651 8.547 -5.247 1.00 1.00 N ATOM 194 CA VAL A 15 -3.926 9.909 -5.697 1.00 1.00 C ATOM 195 C VAL A 15 -2.889 10.807 -5.026 1.00 1.00 C ATOM 196 O VAL A 15 -2.433 10.508 -3.922 1.00 1.00 O ATOM 197 CB VAL A 15 -5.374 10.300 -5.315 1.00 1.00 C ATOM 198 CG1 VAL A 15 -5.679 11.805 -5.371 1.00 1.00 C ATOM 199 CG2 VAL A 15 -6.393 9.584 -6.215 1.00 1.00 C ATOM 0 H VAL A 15 -3.389 8.510 -4.262 1.00 1.00 H new ATOM 0 HA VAL A 15 -3.852 10.009 -6.780 1.00 1.00 H new ATOM 0 HB VAL A 15 -5.462 9.988 -4.274 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -6.717 11.977 -5.087 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -5.022 12.335 -4.682 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -5.515 12.172 -6.384 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -7.402 9.876 -5.926 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -6.219 9.862 -7.254 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -6.282 8.505 -6.104 1.00 1.00 H new ATOM 209 N GLN A 16 -2.533 11.902 -5.698 1.00 1.00 N ATOM 210 CA GLN A 16 -1.657 12.931 -5.150 1.00 1.00 C ATOM 211 C GLN A 16 -2.435 13.714 -4.095 1.00 1.00 C ATOM 212 O GLN A 16 -2.135 13.605 -2.910 1.00 1.00 O ATOM 213 CB GLN A 16 -1.097 13.843 -6.260 1.00 1.00 C ATOM 214 CG GLN A 16 0.093 13.172 -6.954 1.00 1.00 C ATOM 215 CD GLN A 16 0.747 14.012 -8.043 1.00 1.00 C ATOM 216 OE1 GLN A 16 0.674 13.685 -9.218 1.00 1.00 O ATOM 217 NE2 GLN A 16 1.454 15.073 -7.686 1.00 1.00 N ATOM 0 H GLN A 16 -2.849 12.099 -6.647 1.00 1.00 H new ATOM 0 HA GLN A 16 -0.789 12.468 -4.680 1.00 1.00 H new ATOM 0 HB2 GLN A 16 -1.877 14.059 -6.990 1.00 1.00 H new ATOM 0 HB3 GLN A 16 -0.787 14.797 -5.833 1.00 1.00 H new ATOM 0 HG2 GLN A 16 0.844 12.926 -6.203 1.00 1.00 H new ATOM 0 HG3 GLN A 16 -0.241 12.231 -7.391 1.00 1.00 H new ATOM 0 HE21 GLN A 16 1.511 15.341 -6.703 1.00 1.00 H new ATOM 0 HE22 GLN A 16 1.942 15.623 -8.394 1.00 1.00 H new ATOM 226 N GLY A 17 -3.431 14.482 -4.530 1.00 1.00 N ATOM 227 CA GLY A 17 -4.246 15.356 -3.701 1.00 1.00 C ATOM 228 C GLY A 17 -4.342 16.739 -4.345 1.00 1.00 C ATOM 229 O GLY A 17 -3.647 16.994 -5.331 1.00 1.00 O ATOM 0 H GLY A 17 -3.701 14.511 -5.513 1.00 1.00 H new ATOM 0 HA2 GLY A 17 -5.243 14.932 -3.579 1.00 1.00 H new ATOM 0 HA3 GLY A 17 -3.810 15.438 -2.705 1.00 1.00 H new ATOM 233 N PRO A 18 -5.193 17.637 -3.825 1.00 1.00 N ATOM 234 CA PRO A 18 -5.424 18.952 -4.417 1.00 1.00 C ATOM 235 C PRO A 18 -4.304 19.962 -4.115 1.00 1.00 C ATOM 236 O PRO A 18 -4.290 21.053 -4.692 1.00 1.00 O ATOM 237 CB PRO A 18 -6.764 19.408 -3.827 1.00 1.00 C ATOM 238 CG PRO A 18 -6.810 18.730 -2.457 1.00 1.00 C ATOM 239 CD PRO A 18 -6.089 17.406 -2.701 1.00 1.00 C ATOM 0 HA PRO A 18 -5.438 18.893 -5.505 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -6.813 20.493 -3.738 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -7.602 19.101 -4.453 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -6.309 19.327 -1.695 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -7.834 18.575 -2.118 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -5.533 17.096 -1.816 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -6.800 16.611 -2.926 1.00 1.00 H new ATOM 247 N CYS A 19 -3.398 19.658 -3.183 1.00 1.00 N ATOM 248 CA CYS A 19 -2.325 20.549 -2.748 1.00 1.00 C ATOM 249 C CYS A 19 -1.223 20.685 -3.802 1.00 1.00 C ATOM 250 O CYS A 19 -1.361 20.243 -4.939 1.00 1.00 O ATOM 251 CB CYS A 19 -1.812 20.081 -1.381 1.00 1.00 C ATOM 252 SG CYS A 19 -3.109 20.323 -0.158 1.00 1.00 S ATOM 0 H CYS A 19 -3.392 18.761 -2.698 1.00 1.00 H new ATOM 0 HA CYS A 19 -2.716 21.560 -2.632 1.00 1.00 H new ATOM 0 HB2 CYS A 19 -1.527 19.030 -1.425 1.00 1.00 H new ATOM 0 HB3 CYS A 19 -0.920 20.642 -1.101 1.00 1.00 H new ATOM 257 N ARG A 20 -0.150 21.398 -3.451 1.00 1.00 N ATOM 258 CA ARG A 20 1.052 21.532 -4.277 1.00 1.00 C ATOM 259 C ARG A 20 2.342 21.212 -3.519 1.00 1.00 C ATOM 260 O ARG A 20 3.436 21.401 -4.043 1.00 1.00 O ATOM 261 CB ARG A 20 1.081 22.898 -4.965 1.00 1.00 C ATOM 262 CG ARG A 20 0.215 22.957 -6.242 1.00 1.00 C ATOM 263 CD ARG A 20 -0.958 23.943 -6.186 1.00 1.00 C ATOM 264 NE ARG A 20 -2.092 23.469 -5.364 1.00 1.00 N ATOM 265 CZ ARG A 20 -2.917 24.235 -4.635 1.00 1.00 C ATOM 266 NH1 ARG A 20 -2.682 25.538 -4.474 1.00 1.00 N ATOM 267 NH2 ARG A 20 -3.985 23.701 -4.059 1.00 1.00 N ATOM 0 H ARG A 20 -0.091 21.907 -2.569 1.00 1.00 H new ATOM 0 HA ARG A 20 0.999 20.773 -5.058 1.00 1.00 H new ATOM 0 HB2 ARG A 20 0.735 23.658 -4.264 1.00 1.00 H new ATOM 0 HB3 ARG A 20 2.111 23.146 -5.221 1.00 1.00 H new ATOM 0 HG2 ARG A 20 0.854 23.224 -7.084 1.00 1.00 H new ATOM 0 HG3 ARG A 20 -0.177 21.960 -6.443 1.00 1.00 H new ATOM 0 HD2 ARG A 20 -0.604 24.894 -5.787 1.00 1.00 H new ATOM 0 HD3 ARG A 20 -1.310 24.134 -7.200 1.00 1.00 H new ATOM 0 HE ARG A 20 -2.263 22.464 -5.350 1.00 1.00 H new ATOM 0 HH11 ARG A 20 -1.865 25.966 -4.909 1.00 1.00 H new ATOM 0 HH12 ARG A 20 -3.320 26.106 -3.916 1.00 1.00 H new ATOM 0 HH21 ARG A 20 -4.180 22.706 -4.170 1.00 1.00 H new ATOM 0 HH22 ARG A 20 -4.611 24.285 -3.505 1.00 1.00 H new ATOM 281 N GLY A 21 2.204 20.793 -2.269 1.00 1.00 N ATOM 282 CA GLY A 21 3.310 20.305 -1.460 1.00 1.00 C ATOM 283 C GLY A 21 3.358 18.824 -1.834 1.00 1.00 C ATOM 284 O GLY A 21 2.308 18.263 -2.158 1.00 1.00 O ATOM 0 H GLY A 21 1.308 20.783 -1.782 1.00 1.00 H new ATOM 0 HA2 GLY A 21 4.244 20.815 -1.698 1.00 1.00 H new ATOM 0 HA3 GLY A 21 3.130 20.450 -0.395 1.00 1.00 H new ATOM 288 N TRP A 22 4.507 18.159 -1.731 1.00 1.00 N ATOM 289 CA TRP A 22 4.666 16.798 -2.195 1.00 1.00 C ATOM 290 C TRP A 22 5.393 16.009 -1.118 1.00 1.00 C ATOM 291 O TRP A 22 6.480 16.374 -0.678 1.00 1.00 O ATOM 292 CB TRP A 22 5.404 16.805 -3.541 1.00 1.00 C ATOM 293 CG TRP A 22 4.736 17.569 -4.656 1.00 1.00 C ATOM 294 CD1 TRP A 22 5.359 18.490 -5.424 1.00 1.00 C ATOM 295 CD2 TRP A 22 3.337 17.568 -5.107 1.00 1.00 C ATOM 296 NE1 TRP A 22 4.457 19.074 -6.287 1.00 1.00 N ATOM 297 CE2 TRP A 22 3.189 18.566 -6.118 1.00 1.00 C ATOM 298 CE3 TRP A 22 2.163 16.873 -4.737 1.00 1.00 C ATOM 299 CZ2 TRP A 22 1.949 18.876 -6.702 1.00 1.00 C ATOM 300 CZ3 TRP A 22 0.909 17.193 -5.293 1.00 1.00 C ATOM 301 CH2 TRP A 22 0.800 18.187 -6.278 1.00 1.00 C ATOM 0 H TRP A 22 5.352 18.557 -1.321 1.00 1.00 H new ATOM 0 HA TRP A 22 3.704 16.315 -2.368 1.00 1.00 H new ATOM 0 HB2 TRP A 22 6.399 17.223 -3.386 1.00 1.00 H new ATOM 0 HB3 TRP A 22 5.539 15.773 -3.864 1.00 1.00 H new ATOM 0 HD1 TRP A 22 6.410 18.733 -5.369 1.00 1.00 H new ATOM 0 HE1 TRP A 22 4.699 19.794 -6.967 1.00 1.00 H new ATOM 0 HE3 TRP A 22 2.229 16.077 -4.010 1.00 1.00 H new ATOM 0 HZ2 TRP A 22 1.880 19.635 -7.468 1.00 1.00 H new ATOM 0 HZ3 TRP A 22 0.025 16.670 -4.959 1.00 1.00 H new ATOM 0 HH2 TRP A 22 -0.163 18.421 -6.708 1.00 1.00 H new ATOM 312 N GLU A 23 4.734 14.944 -0.704 1.00 1.00 N ATOM 313 CA GLU A 23 5.042 14.025 0.373 1.00 1.00 C ATOM 314 C GLU A 23 5.203 12.630 -0.271 1.00 1.00 C ATOM 315 O GLU A 23 4.235 12.125 -0.837 1.00 1.00 O ATOM 316 CB GLU A 23 3.851 14.135 1.352 1.00 1.00 C ATOM 317 CG GLU A 23 3.847 13.165 2.528 1.00 1.00 C ATOM 318 CD GLU A 23 4.984 13.384 3.524 1.00 1.00 C ATOM 319 OE1 GLU A 23 6.124 13.017 3.174 1.00 1.00 O ATOM 320 OE2 GLU A 23 4.690 13.619 4.715 1.00 1.00 O ATOM 0 H GLU A 23 3.869 14.672 -1.170 1.00 1.00 H new ATOM 0 HA GLU A 23 5.960 14.231 0.923 1.00 1.00 H new ATOM 0 HB2 GLU A 23 3.826 15.151 1.747 1.00 1.00 H new ATOM 0 HB3 GLU A 23 2.930 13.990 0.787 1.00 1.00 H new ATOM 0 HG2 GLU A 23 2.896 13.253 3.054 1.00 1.00 H new ATOM 0 HG3 GLU A 23 3.906 12.146 2.145 1.00 1.00 H new ATOM 327 N PRO A 24 6.390 11.998 -0.286 1.00 1.00 N ATOM 328 CA PRO A 24 6.580 10.655 -0.841 1.00 1.00 C ATOM 329 C PRO A 24 5.987 9.600 0.095 1.00 1.00 C ATOM 330 O PRO A 24 6.270 9.559 1.296 1.00 1.00 O ATOM 331 CB PRO A 24 8.097 10.497 -0.988 1.00 1.00 C ATOM 332 CG PRO A 24 8.664 11.396 0.111 1.00 1.00 C ATOM 333 CD PRO A 24 7.656 12.541 0.185 1.00 1.00 C ATOM 0 HA PRO A 24 6.074 10.523 -1.798 1.00 1.00 H new ATOM 0 HB2 PRO A 24 8.406 9.460 -0.856 1.00 1.00 H new ATOM 0 HB3 PRO A 24 8.438 10.808 -1.975 1.00 1.00 H new ATOM 0 HG2 PRO A 24 8.743 10.868 1.061 1.00 1.00 H new ATOM 0 HG3 PRO A 24 9.663 11.755 -0.138 1.00 1.00 H new ATOM 0 HD2 PRO A 24 7.564 12.914 1.205 1.00 1.00 H new ATOM 0 HD3 PRO A 24 7.974 13.380 -0.434 1.00 1.00 H new ATOM 341 N ARG A 25 5.181 8.699 -0.461 1.00 1.00 N ATOM 342 CA ARG A 25 4.631 7.550 0.256 1.00 1.00 C ATOM 343 C ARG A 25 4.776 6.306 -0.601 1.00 1.00 C ATOM 344 O ARG A 25 5.286 6.380 -1.719 1.00 1.00 O ATOM 345 CB ARG A 25 3.172 7.836 0.662 1.00 1.00 C ATOM 346 CG ARG A 25 3.047 8.865 1.793 1.00 1.00 C ATOM 347 CD ARG A 25 3.648 8.306 3.091 1.00 1.00 C ATOM 348 NE ARG A 25 3.459 9.233 4.213 1.00 1.00 N ATOM 349 CZ ARG A 25 4.259 10.273 4.493 1.00 1.00 C ATOM 350 NH1 ARG A 25 5.397 10.460 3.827 1.00 1.00 N ATOM 351 NH2 ARG A 25 3.891 11.139 5.429 1.00 1.00 N ATOM 0 H ARG A 25 4.887 8.747 -1.437 1.00 1.00 H new ATOM 0 HA ARG A 25 5.184 7.373 1.178 1.00 1.00 H new ATOM 0 HB2 ARG A 25 2.624 8.195 -0.209 1.00 1.00 H new ATOM 0 HB3 ARG A 25 2.700 6.904 0.974 1.00 1.00 H new ATOM 0 HG2 ARG A 25 3.559 9.786 1.514 1.00 1.00 H new ATOM 0 HG3 ARG A 25 1.998 9.118 1.949 1.00 1.00 H new ATOM 0 HD2 ARG A 25 3.183 7.349 3.326 1.00 1.00 H new ATOM 0 HD3 ARG A 25 4.712 8.117 2.949 1.00 1.00 H new ATOM 0 HE ARG A 25 2.659 9.075 4.826 1.00 1.00 H new ATOM 0 HH11 ARG A 25 5.671 9.808 3.092 1.00 1.00 H new ATOM 0 HH12 ARG A 25 5.995 11.256 4.052 1.00 1.00 H new ATOM 0 HH21 ARG A 25 3.009 11.009 5.925 1.00 1.00 H new ATOM 0 HH22 ARG A 25 4.490 11.934 5.652 1.00 1.00 H new ATOM 365 N TRP A 26 4.372 5.154 -0.072 1.00 1.00 N ATOM 366 CA TRP A 26 4.368 3.891 -0.801 1.00 1.00 C ATOM 367 C TRP A 26 2.920 3.484 -1.040 1.00 1.00 C ATOM 368 O TRP A 26 2.100 3.684 -0.152 1.00 1.00 O ATOM 369 CB TRP A 26 5.143 2.849 0.015 1.00 1.00 C ATOM 370 CG TRP A 26 6.626 2.987 -0.106 1.00 1.00 C ATOM 371 CD1 TRP A 26 7.416 3.836 0.588 1.00 1.00 C ATOM 372 CD2 TRP A 26 7.494 2.322 -1.060 1.00 1.00 C ATOM 373 NE1 TRP A 26 8.717 3.732 0.129 1.00 1.00 N ATOM 374 CE2 TRP A 26 8.814 2.835 -0.916 1.00 1.00 C ATOM 375 CE3 TRP A 26 7.280 1.344 -2.050 1.00 1.00 C ATOM 376 CZ2 TRP A 26 9.872 2.396 -1.729 1.00 1.00 C ATOM 377 CZ3 TRP A 26 8.300 0.990 -2.941 1.00 1.00 C ATOM 378 CH2 TRP A 26 9.604 1.469 -2.753 1.00 1.00 C ATOM 0 H TRP A 26 4.034 5.072 0.887 1.00 1.00 H new ATOM 0 HA TRP A 26 4.858 3.980 -1.770 1.00 1.00 H new ATOM 0 HB2 TRP A 26 4.861 2.937 1.064 1.00 1.00 H new ATOM 0 HB3 TRP A 26 4.850 1.851 -0.311 1.00 1.00 H new ATOM 0 HD1 TRP A 26 7.084 4.493 1.378 1.00 1.00 H new ATOM 0 HE1 TRP A 26 9.505 4.252 0.514 1.00 1.00 H new ATOM 0 HE3 TRP A 26 6.317 0.861 -2.123 1.00 1.00 H new ATOM 0 HZ2 TRP A 26 10.875 2.764 -1.571 1.00 1.00 H new ATOM 0 HZ3 TRP A 26 8.081 0.344 -3.778 1.00 1.00 H new ATOM 0 HH2 TRP A 26 10.403 1.127 -3.394 1.00 1.00 H new ATOM 389 N ALA A 27 2.596 2.931 -2.209 1.00 1.00 N ATOM 390 CA ALA A 27 1.273 2.391 -2.499 1.00 1.00 C ATOM 391 C ALA A 27 1.432 1.040 -3.177 1.00 1.00 C ATOM 392 O ALA A 27 2.361 0.848 -3.975 1.00 1.00 O ATOM 393 CB ALA A 27 0.452 3.333 -3.392 1.00 1.00 C ATOM 0 H ALA A 27 3.252 2.846 -2.986 1.00 1.00 H new ATOM 0 HA ALA A 27 0.732 2.283 -1.559 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -0.526 2.892 -3.583 1.00 1.00 H new ATOM 0 HB2 ALA A 27 0.326 4.292 -2.890 1.00 1.00 H new ATOM 0 HB3 ALA A 27 0.973 3.484 -4.337 1.00 1.00 H new ATOM 399 N TYR A 28 0.521 0.120 -2.872 1.00 1.00 N ATOM 400 CA TYR A 28 0.467 -1.175 -3.530 1.00 1.00 C ATOM 401 C TYR A 28 -0.277 -1.042 -4.841 1.00 1.00 C ATOM 402 O TYR A 28 -1.145 -0.185 -5.010 1.00 1.00 O ATOM 403 CB TYR A 28 -0.288 -2.189 -2.677 1.00 1.00 C ATOM 404 CG TYR A 28 -0.357 -3.604 -3.250 1.00 1.00 C ATOM 405 CD1 TYR A 28 0.810 -4.379 -3.410 1.00 1.00 C ATOM 406 CD2 TYR A 28 -1.598 -4.174 -3.595 1.00 1.00 C ATOM 407 CE1 TYR A 28 0.740 -5.709 -3.857 1.00 1.00 C ATOM 408 CE2 TYR A 28 -1.681 -5.504 -4.045 1.00 1.00 C ATOM 409 CZ TYR A 28 -0.511 -6.287 -4.152 1.00 1.00 C ATOM 410 OH TYR A 28 -0.593 -7.596 -4.509 1.00 1.00 O ATOM 0 H TYR A 28 -0.199 0.254 -2.162 1.00 1.00 H new ATOM 0 HA TYR A 28 1.491 -1.514 -3.687 1.00 1.00 H new ATOM 0 HB2 TYR A 28 0.183 -2.235 -1.695 1.00 1.00 H new ATOM 0 HB3 TYR A 28 -1.305 -1.826 -2.526 1.00 1.00 H new ATOM 0 HD1 TYR A 28 1.772 -3.943 -3.185 1.00 1.00 H new ATOM 0 HD2 TYR A 28 -2.498 -3.582 -3.513 1.00 1.00 H new ATOM 0 HE1 TYR A 28 1.644 -6.288 -3.974 1.00 1.00 H new ATOM 0 HE2 TYR A 28 -2.639 -5.926 -4.309 1.00 1.00 H new ATOM 0 HH TYR A 28 -1.529 -7.831 -4.676 1.00 1.00 H new ATOM 420 N SER A 29 0.196 -1.743 -5.853 1.00 1.00 N ATOM 421 CA SER A 29 -0.465 -1.850 -7.127 1.00 1.00 C ATOM 422 C SER A 29 -0.808 -3.328 -7.295 1.00 1.00 C ATOM 423 O SER A 29 0.124 -4.102 -7.526 1.00 1.00 O ATOM 424 CB SER A 29 0.477 -1.207 -8.131 1.00 1.00 C ATOM 425 OG SER A 29 0.330 0.175 -7.865 1.00 1.00 O ATOM 0 H SER A 29 1.072 -2.264 -5.805 1.00 1.00 H new ATOM 0 HA SER A 29 -1.413 -1.328 -7.254 1.00 1.00 H new ATOM 0 HB2 SER A 29 1.506 -1.538 -7.989 1.00 1.00 H new ATOM 0 HB3 SER A 29 0.202 -1.452 -9.157 1.00 1.00 H new ATOM 0 HG SER A 29 -0.140 0.604 -8.611 1.00 1.00 H new ATOM 431 N PRO A 30 -2.096 -3.720 -7.299 1.00 1.00 N ATOM 432 CA PRO A 30 -2.476 -5.101 -7.579 1.00 1.00 C ATOM 433 C PRO A 30 -2.205 -5.419 -9.050 1.00 1.00 C ATOM 434 O PRO A 30 -1.768 -6.514 -9.379 1.00 1.00 O ATOM 435 CB PRO A 30 -3.965 -5.201 -7.225 1.00 1.00 C ATOM 436 CG PRO A 30 -4.475 -3.769 -7.376 1.00 1.00 C ATOM 437 CD PRO A 30 -3.272 -2.926 -6.959 1.00 1.00 C ATOM 0 HA PRO A 30 -1.903 -5.825 -6.999 1.00 1.00 H new ATOM 0 HB2 PRO A 30 -4.489 -5.884 -7.893 1.00 1.00 H new ATOM 0 HB3 PRO A 30 -4.111 -5.572 -6.211 1.00 1.00 H new ATOM 0 HG2 PRO A 30 -4.781 -3.556 -8.400 1.00 1.00 H new ATOM 0 HG3 PRO A 30 -5.340 -3.580 -6.740 1.00 1.00 H new ATOM 0 HD2 PRO A 30 -3.264 -1.970 -7.483 1.00 1.00 H new ATOM 0 HD3 PRO A 30 -3.300 -2.705 -5.892 1.00 1.00 H new ATOM 445 N LEU A 31 -2.370 -4.425 -9.929 1.00 1.00 N ATOM 446 CA LEU A 31 -2.073 -4.507 -11.355 1.00 1.00 C ATOM 447 C LEU A 31 -0.580 -4.701 -11.635 1.00 1.00 C ATOM 448 O LEU A 31 -0.216 -5.043 -12.754 1.00 1.00 O ATOM 449 CB LEU A 31 -2.609 -3.264 -12.070 1.00 1.00 C ATOM 450 CG LEU A 31 -4.129 -3.365 -12.295 1.00 1.00 C ATOM 451 CD1 LEU A 31 -4.663 -1.980 -12.636 1.00 1.00 C ATOM 452 CD2 LEU A 31 -4.505 -4.335 -13.423 1.00 1.00 C ATOM 0 H LEU A 31 -2.727 -3.510 -9.653 1.00 1.00 H new ATOM 0 HA LEU A 31 -2.576 -5.392 -11.746 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -2.384 -2.376 -11.479 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -2.104 -3.146 -13.028 1.00 1.00 H new ATOM 0 HG LEU A 31 -4.571 -3.752 -11.377 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -5.739 -2.035 -12.798 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -4.455 -1.297 -11.813 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -4.178 -1.616 -13.541 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -5.589 -4.363 -13.533 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -4.054 -3.999 -14.357 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -4.139 -5.333 -13.182 1.00 1.00 H new ATOM 464 N LEU A 32 0.288 -4.453 -10.648 1.00 1.00 N ATOM 465 CA LEU A 32 1.721 -4.721 -10.727 1.00 1.00 C ATOM 466 C LEU A 32 2.108 -5.850 -9.771 1.00 1.00 C ATOM 467 O LEU A 32 3.268 -6.260 -9.770 1.00 1.00 O ATOM 468 CB LEU A 32 2.484 -3.450 -10.330 1.00 1.00 C ATOM 469 CG LEU A 32 2.577 -2.416 -11.464 1.00 1.00 C ATOM 470 CD1 LEU A 32 3.058 -1.071 -10.901 1.00 1.00 C ATOM 471 CD2 LEU A 32 3.545 -2.858 -12.569 1.00 1.00 C ATOM 0 H LEU A 32 0.004 -4.052 -9.754 1.00 1.00 H new ATOM 0 HA LEU A 32 1.972 -5.018 -11.745 1.00 1.00 H new ATOM 0 HB2 LEU A 32 1.993 -2.993 -9.471 1.00 1.00 H new ATOM 0 HB3 LEU A 32 3.491 -3.723 -10.013 1.00 1.00 H new ATOM 0 HG LEU A 32 1.581 -2.321 -11.897 1.00 1.00 H new ATOM 0 HD11 LEU A 32 3.123 -0.341 -11.708 1.00 1.00 H new ATOM 0 HD12 LEU A 32 2.353 -0.719 -10.148 1.00 1.00 H new ATOM 0 HD13 LEU A 32 4.041 -1.197 -10.447 1.00 1.00 H new ATOM 0 HD21 LEU A 32 3.579 -2.097 -13.349 1.00 1.00 H new ATOM 0 HD22 LEU A 32 4.542 -2.991 -12.148 1.00 1.00 H new ATOM 0 HD23 LEU A 32 3.203 -3.801 -12.996 1.00 1.00 H new ATOM 483 N GLN A 33 1.154 -6.327 -8.960 1.00 1.00 N ATOM 484 CA GLN A 33 1.312 -7.291 -7.889 1.00 1.00 C ATOM 485 C GLN A 33 2.510 -6.891 -7.012 1.00 1.00 C ATOM 486 O GLN A 33 3.280 -7.748 -6.574 1.00 1.00 O ATOM 487 CB GLN A 33 1.365 -8.706 -8.496 1.00 1.00 C ATOM 488 CG GLN A 33 1.030 -9.778 -7.448 1.00 1.00 C ATOM 489 CD GLN A 33 2.097 -10.869 -7.348 1.00 1.00 C ATOM 490 OE1 GLN A 33 1.842 -12.040 -7.603 1.00 1.00 O ATOM 491 NE2 GLN A 33 3.316 -10.522 -6.974 1.00 1.00 N ATOM 0 H GLN A 33 0.186 -6.020 -9.051 1.00 1.00 H new ATOM 0 HA GLN A 33 0.460 -7.299 -7.209 1.00 1.00 H new ATOM 0 HB2 GLN A 33 0.662 -8.774 -9.326 1.00 1.00 H new ATOM 0 HB3 GLN A 33 2.359 -8.892 -8.904 1.00 1.00 H new ATOM 0 HG2 GLN A 33 0.912 -9.302 -6.474 1.00 1.00 H new ATOM 0 HG3 GLN A 33 0.073 -10.235 -7.697 1.00 1.00 H new ATOM 0 HE21 GLN A 33 3.526 -9.547 -6.762 1.00 1.00 H new ATOM 0 HE22 GLN A 33 4.047 -11.230 -6.897 1.00 1.00 H new ATOM 500 N GLN A 34 2.706 -5.583 -6.788 1.00 1.00 N ATOM 501 CA GLN A 34 3.888 -5.086 -6.089 1.00 1.00 C ATOM 502 C GLN A 34 3.607 -3.675 -5.578 1.00 1.00 C ATOM 503 O GLN A 34 2.689 -3.003 -6.057 1.00 1.00 O ATOM 504 CB GLN A 34 5.033 -5.030 -7.121 1.00 1.00 C ATOM 505 CG GLN A 34 6.452 -5.040 -6.549 1.00 1.00 C ATOM 506 CD GLN A 34 7.551 -4.953 -7.606 1.00 1.00 C ATOM 507 OE1 GLN A 34 8.603 -4.369 -7.355 1.00 1.00 O ATOM 508 NE2 GLN A 34 7.373 -5.534 -8.783 1.00 1.00 N ATOM 0 H GLN A 34 2.057 -4.854 -7.084 1.00 1.00 H new ATOM 0 HA GLN A 34 4.148 -5.728 -5.247 1.00 1.00 H new ATOM 0 HB2 GLN A 34 4.929 -5.879 -7.796 1.00 1.00 H new ATOM 0 HB3 GLN A 34 4.911 -4.128 -7.721 1.00 1.00 H new ATOM 0 HG2 GLN A 34 6.560 -4.203 -5.859 1.00 1.00 H new ATOM 0 HG3 GLN A 34 6.592 -5.952 -5.969 1.00 1.00 H new ATOM 0 HE21 GLN A 34 6.498 -6.017 -8.986 1.00 1.00 H new ATOM 0 HE22 GLN A 34 8.111 -5.498 -9.486 1.00 1.00 H new ATOM 517 N CYS A 35 4.451 -3.170 -4.684 1.00 1.00 N ATOM 518 CA CYS A 35 4.378 -1.798 -4.194 1.00 1.00 C ATOM 519 C CYS A 35 5.405 -0.905 -4.867 1.00 1.00 C ATOM 520 O CYS A 35 6.522 -1.321 -5.190 1.00 1.00 O ATOM 521 CB CYS A 35 4.583 -1.735 -2.686 1.00 1.00 C ATOM 522 SG CYS A 35 3.223 -2.406 -1.716 1.00 1.00 S ATOM 0 H CYS A 35 5.214 -3.709 -4.274 1.00 1.00 H new ATOM 0 HA CYS A 35 3.379 -1.437 -4.439 1.00 1.00 H new ATOM 0 HB2 CYS A 35 5.494 -2.277 -2.433 1.00 1.00 H new ATOM 0 HB3 CYS A 35 4.740 -0.696 -2.397 1.00 1.00 H new ATOM 527 N HIS A 36 5.054 0.372 -4.999 1.00 1.00 N ATOM 528 CA HIS A 36 5.917 1.394 -5.590 1.00 1.00 C ATOM 529 C HIS A 36 5.796 2.720 -4.825 1.00 1.00 C ATOM 530 O HIS A 36 4.748 2.955 -4.217 1.00 1.00 O ATOM 531 CB HIS A 36 5.566 1.547 -7.086 1.00 1.00 C ATOM 532 CG HIS A 36 4.176 2.078 -7.372 1.00 1.00 C ATOM 533 ND1 HIS A 36 3.784 3.400 -7.217 1.00 1.00 N ATOM 534 CD2 HIS A 36 3.088 1.367 -7.813 1.00 1.00 C ATOM 535 CE1 HIS A 36 2.481 3.489 -7.530 1.00 1.00 C ATOM 536 NE2 HIS A 36 2.052 2.272 -7.908 1.00 1.00 N ATOM 0 H HIS A 36 4.150 0.732 -4.694 1.00 1.00 H new ATOM 0 HA HIS A 36 6.960 1.087 -5.513 1.00 1.00 H new ATOM 0 HB2 HIS A 36 6.294 2.214 -7.547 1.00 1.00 H new ATOM 0 HB3 HIS A 36 5.673 0.576 -7.569 1.00 1.00 H new ATOM 0 HD1 HIS A 36 4.382 4.170 -6.917 1.00 1.00 H new ATOM 0 HD2 HIS A 36 3.051 0.312 -8.040 1.00 1.00 H new ATOM 0 HE1 HIS A 36 1.880 4.385 -7.486 1.00 1.00 H new ATOM 545 N PRO A 37 6.819 3.597 -4.840 1.00 1.00 N ATOM 546 CA PRO A 37 6.709 4.931 -4.251 1.00 1.00 C ATOM 547 C PRO A 37 5.667 5.740 -5.033 1.00 1.00 C ATOM 548 O PRO A 37 5.367 5.391 -6.182 1.00 1.00 O ATOM 549 CB PRO A 37 8.086 5.591 -4.399 1.00 1.00 C ATOM 550 CG PRO A 37 9.033 4.451 -4.764 1.00 1.00 C ATOM 551 CD PRO A 37 8.133 3.417 -5.436 1.00 1.00 C ATOM 0 HA PRO A 37 6.405 4.884 -3.205 1.00 1.00 H new ATOM 0 HB2 PRO A 37 8.075 6.358 -5.173 1.00 1.00 H new ATOM 0 HB3 PRO A 37 8.392 6.077 -3.473 1.00 1.00 H new ATOM 0 HG2 PRO A 37 9.822 4.789 -5.436 1.00 1.00 H new ATOM 0 HG3 PRO A 37 9.521 4.040 -3.880 1.00 1.00 H new ATOM 0 HD2 PRO A 37 8.098 3.569 -6.515 1.00 1.00 H new ATOM 0 HD3 PRO A 37 8.504 2.406 -5.269 1.00 1.00 H new ATOM 559 N PHE A 38 5.139 6.831 -4.481 1.00 1.00 N ATOM 560 CA PHE A 38 4.250 7.716 -5.214 1.00 1.00 C ATOM 561 C PHE A 38 4.307 9.092 -4.573 1.00 1.00 C ATOM 562 O PHE A 38 4.711 9.223 -3.415 1.00 1.00 O ATOM 563 CB PHE A 38 2.813 7.163 -5.285 1.00 1.00 C ATOM 564 CG PHE A 38 1.951 7.276 -4.037 1.00 1.00 C ATOM 565 CD1 PHE A 38 2.167 6.439 -2.926 1.00 1.00 C ATOM 566 CD2 PHE A 38 0.867 8.174 -4.016 1.00 1.00 C ATOM 567 CE1 PHE A 38 1.296 6.499 -1.822 1.00 1.00 C ATOM 568 CE2 PHE A 38 0.005 8.233 -2.910 1.00 1.00 C ATOM 569 CZ PHE A 38 0.214 7.390 -1.812 1.00 1.00 C ATOM 0 H PHE A 38 5.317 7.121 -3.519 1.00 1.00 H new ATOM 0 HA PHE A 38 4.583 7.789 -6.249 1.00 1.00 H new ATOM 0 HB2 PHE A 38 2.296 7.674 -6.097 1.00 1.00 H new ATOM 0 HB3 PHE A 38 2.872 6.109 -5.558 1.00 1.00 H new ATOM 0 HD1 PHE A 38 3.000 5.752 -2.921 1.00 1.00 H new ATOM 0 HD2 PHE A 38 0.697 8.825 -4.861 1.00 1.00 H new ATOM 0 HE1 PHE A 38 1.463 5.852 -0.974 1.00 1.00 H new ATOM 0 HE2 PHE A 38 -0.820 8.929 -2.906 1.00 1.00 H new ATOM 0 HZ PHE A 38 -0.453 7.426 -0.964 1.00 1.00 H new ATOM 579 N VAL A 39 3.945 10.112 -5.349 1.00 1.00 N ATOM 580 CA VAL A 39 3.818 11.461 -4.840 1.00 1.00 C ATOM 581 C VAL A 39 2.426 11.518 -4.226 1.00 1.00 C ATOM 582 O VAL A 39 1.452 11.116 -4.860 1.00 1.00 O ATOM 583 CB VAL A 39 4.005 12.508 -5.962 1.00 1.00 C ATOM 584 CG1 VAL A 39 3.855 13.920 -5.388 1.00 1.00 C ATOM 585 CG2 VAL A 39 5.399 12.389 -6.599 1.00 1.00 C ATOM 0 H VAL A 39 3.734 10.019 -6.343 1.00 1.00 H new ATOM 0 HA VAL A 39 4.587 11.698 -4.105 1.00 1.00 H new ATOM 0 HB VAL A 39 3.244 12.323 -6.721 1.00 1.00 H new ATOM 0 HG11 VAL A 39 3.988 14.652 -6.184 1.00 1.00 H new ATOM 0 HG12 VAL A 39 2.862 14.033 -4.954 1.00 1.00 H new ATOM 0 HG13 VAL A 39 4.608 14.081 -4.617 1.00 1.00 H new ATOM 0 HG21 VAL A 39 5.505 13.137 -7.385 1.00 1.00 H new ATOM 0 HG22 VAL A 39 6.162 12.552 -5.838 1.00 1.00 H new ATOM 0 HG23 VAL A 39 5.520 11.394 -7.026 1.00 1.00 H new ATOM 595 N TYR A 40 2.345 12.012 -3.004 1.00 1.00 N ATOM 596 CA TYR A 40 1.132 12.285 -2.264 1.00 1.00 C ATOM 597 C TYR A 40 1.222 13.767 -1.858 1.00 1.00 C ATOM 598 O TYR A 40 2.295 14.366 -1.955 1.00 1.00 O ATOM 599 CB TYR A 40 1.050 11.255 -1.131 1.00 1.00 C ATOM 600 CG TYR A 40 0.098 11.591 -0.020 1.00 1.00 C ATOM 601 CD1 TYR A 40 -1.271 11.767 -0.285 1.00 1.00 C ATOM 602 CD2 TYR A 40 0.609 11.782 1.273 1.00 1.00 C ATOM 603 CE1 TYR A 40 -2.127 12.173 0.749 1.00 1.00 C ATOM 604 CE2 TYR A 40 -0.247 12.149 2.315 1.00 1.00 C ATOM 605 CZ TYR A 40 -1.624 12.353 2.055 1.00 1.00 C ATOM 606 OH TYR A 40 -2.451 12.760 3.047 1.00 1.00 O ATOM 0 H TYR A 40 3.181 12.248 -2.469 1.00 1.00 H new ATOM 0 HA TYR A 40 0.195 12.171 -2.810 1.00 1.00 H new ATOM 0 HB2 TYR A 40 0.760 10.295 -1.557 1.00 1.00 H new ATOM 0 HB3 TYR A 40 2.046 11.127 -0.707 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -1.661 11.591 -1.277 1.00 1.00 H new ATOM 0 HD2 TYR A 40 1.663 11.645 1.463 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -3.173 12.348 0.545 1.00 1.00 H new ATOM 0 HE2 TYR A 40 0.140 12.277 3.315 1.00 1.00 H new ATOM 0 HH TYR A 40 -3.061 13.446 2.704 1.00 1.00 H new ATOM 616 N GLY A 41 0.119 14.400 -1.459 1.00 1.00 N ATOM 617 CA GLY A 41 0.076 15.835 -1.186 1.00 1.00 C ATOM 618 C GLY A 41 0.031 16.222 0.287 1.00 1.00 C ATOM 619 O GLY A 41 -0.057 17.414 0.579 1.00 1.00 O ATOM 0 H GLY A 41 -0.774 13.929 -1.316 1.00 1.00 H new ATOM 0 HA2 GLY A 41 0.952 16.300 -1.639 1.00 1.00 H new ATOM 0 HA3 GLY A 41 -0.800 16.255 -1.681 1.00 1.00 H new ATOM 623 N GLY A 42 0.031 15.260 1.216 1.00 1.00 N ATOM 624 CA GLY A 42 -0.094 15.484 2.661 1.00 1.00 C ATOM 625 C GLY A 42 -1.521 15.835 3.094 1.00 1.00 C ATOM 626 O GLY A 42 -1.940 15.471 4.188 1.00 1.00 O ATOM 0 H GLY A 42 0.121 14.273 0.976 1.00 1.00 H new ATOM 0 HA2 GLY A 42 0.230 14.588 3.191 1.00 1.00 H new ATOM 0 HA3 GLY A 42 0.578 16.290 2.957 1.00 1.00 H new ATOM 630 N CYS A 43 -2.250 16.552 2.246 1.00 1.00 N ATOM 631 CA CYS A 43 -3.657 16.891 2.362 1.00 1.00 C ATOM 632 C CYS A 43 -4.467 15.765 1.697 1.00 1.00 C ATOM 633 O CYS A 43 -3.919 14.681 1.463 1.00 1.00 O ATOM 634 CB CYS A 43 -3.900 18.290 1.811 1.00 1.00 C ATOM 635 SG CYS A 43 -3.859 18.459 0.018 1.00 1.00 S ATOM 0 H CYS A 43 -1.838 16.939 1.397 1.00 1.00 H new ATOM 0 HA CYS A 43 -3.992 16.947 3.398 1.00 1.00 H new ATOM 0 HB2 CYS A 43 -4.872 18.633 2.165 1.00 1.00 H new ATOM 0 HB3 CYS A 43 -3.152 18.960 2.235 1.00 1.00 H new ATOM 640 N GLU A 44 -5.782 15.945 1.558 1.00 1.00 N ATOM 641 CA GLU A 44 -6.745 14.988 1.010 1.00 1.00 C ATOM 642 C GLU A 44 -6.148 14.121 -0.111 1.00 1.00 C ATOM 643 O GLU A 44 -5.531 14.620 -1.053 1.00 1.00 O ATOM 644 CB GLU A 44 -7.982 15.704 0.445 1.00 1.00 C ATOM 645 CG GLU A 44 -8.670 16.642 1.440 1.00 1.00 C ATOM 646 CD GLU A 44 -8.042 18.039 1.417 1.00 1.00 C ATOM 647 OE1 GLU A 44 -8.355 18.817 0.489 1.00 1.00 O ATOM 648 OE2 GLU A 44 -7.179 18.282 2.289 1.00 1.00 O ATOM 0 H GLU A 44 -6.230 16.816 1.842 1.00 1.00 H new ATOM 0 HA GLU A 44 -7.024 14.345 1.845 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -7.687 16.277 -0.434 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -8.701 14.956 0.111 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -9.731 16.714 1.200 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -8.598 16.225 2.445 1.00 1.00 H new ATOM 655 N GLY A 45 -6.392 12.817 -0.039 1.00 1.00 N ATOM 656 CA GLY A 45 -5.887 11.793 -0.936 1.00 1.00 C ATOM 657 C GLY A 45 -6.511 10.467 -0.509 1.00 1.00 C ATOM 658 O GLY A 45 -7.394 10.458 0.353 1.00 1.00 O ATOM 0 H GLY A 45 -6.985 12.427 0.694 1.00 1.00 H new ATOM 0 HA2 GLY A 45 -6.147 12.025 -1.969 1.00 1.00 H new ATOM 0 HA3 GLY A 45 -4.799 11.740 -0.885 1.00 1.00 H new ATOM 662 N ASN A 46 -6.073 9.347 -1.092 1.00 1.00 N ATOM 663 CA ASN A 46 -6.714 8.064 -0.802 1.00 1.00 C ATOM 664 C ASN A 46 -5.966 7.370 0.332 1.00 1.00 C ATOM 665 O ASN A 46 -4.902 7.798 0.777 1.00 1.00 O ATOM 666 CB ASN A 46 -6.798 7.112 -2.012 1.00 1.00 C ATOM 667 CG ASN A 46 -7.465 7.680 -3.262 1.00 1.00 C ATOM 668 OD1 ASN A 46 -7.845 8.839 -3.331 1.00 1.00 O ATOM 669 ND2 ASN A 46 -7.647 6.866 -4.284 1.00 1.00 N ATOM 0 H ASN A 46 -5.296 9.302 -1.752 1.00 1.00 H new ATOM 0 HA ASN A 46 -7.742 8.294 -0.520 1.00 1.00 H new ATOM 0 HB2 ASN A 46 -5.787 6.798 -2.274 1.00 1.00 H new ATOM 0 HB3 ASN A 46 -7.341 6.217 -1.709 1.00 1.00 H new ATOM 0 HD21 ASN A 46 -8.104 7.205 -5.130 1.00 1.00 H new ATOM 0 HD22 ASN A 46 -7.330 5.898 -4.228 1.00 1.00 H new ATOM 676 N GLY A 47 -6.517 6.232 0.743 1.00 1.00 N ATOM 677 CA GLY A 47 -6.055 5.467 1.896 1.00 1.00 C ATOM 678 C GLY A 47 -4.943 4.479 1.572 1.00 1.00 C ATOM 679 O GLY A 47 -4.371 3.910 2.495 1.00 1.00 O ATOM 0 H GLY A 47 -7.316 5.806 0.273 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -5.702 6.158 2.661 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -6.899 4.924 2.321 1.00 1.00 H new ATOM 683 N ASN A 48 -4.635 4.252 0.289 1.00 1.00 N ATOM 684 CA ASN A 48 -3.511 3.417 -0.126 1.00 1.00 C ATOM 685 C ASN A 48 -2.249 4.228 0.142 1.00 1.00 C ATOM 686 O ASN A 48 -1.750 4.927 -0.743 1.00 1.00 O ATOM 687 CB ASN A 48 -3.638 3.028 -1.604 1.00 1.00 C ATOM 688 CG ASN A 48 -2.580 2.002 -2.030 1.00 1.00 C ATOM 689 OD1 ASN A 48 -1.605 1.721 -1.342 1.00 1.00 O ATOM 690 ND2 ASN A 48 -2.749 1.392 -3.183 1.00 1.00 N ATOM 0 H ASN A 48 -5.163 4.646 -0.490 1.00 1.00 H new ATOM 0 HA ASN A 48 -3.484 2.479 0.429 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -4.632 2.618 -1.785 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -3.544 3.921 -2.222 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -2.073 0.695 -3.495 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -3.556 1.616 -3.765 1.00 1.00 H new ATOM 697 N ASN A 49 -1.801 4.224 1.396 1.00 1.00 N ATOM 698 CA ASN A 49 -0.699 5.043 1.855 1.00 1.00 C ATOM 699 C ASN A 49 0.100 4.215 2.853 1.00 1.00 C ATOM 700 O ASN A 49 -0.348 3.947 3.969 1.00 1.00 O ATOM 701 CB ASN A 49 -1.328 6.291 2.507 1.00 1.00 C ATOM 702 CG ASN A 49 -0.344 7.422 2.749 1.00 1.00 C ATOM 703 OD1 ASN A 49 0.692 7.258 3.386 1.00 1.00 O ATOM 704 ND2 ASN A 49 -0.664 8.610 2.253 1.00 1.00 N ATOM 0 H ASN A 49 -2.205 3.639 2.128 1.00 1.00 H new ATOM 0 HA ASN A 49 -0.024 5.357 1.059 1.00 1.00 H new ATOM 0 HB2 ASN A 49 -2.134 6.654 1.870 1.00 1.00 H new ATOM 0 HB3 ASN A 49 -1.778 6.004 3.458 1.00 1.00 H new ATOM 0 HD21 ASN A 49 -0.044 9.407 2.398 1.00 1.00 H new ATOM 0 HD22 ASN A 49 -1.530 8.726 1.726 1.00 1.00 H new ATOM 711 N PHE A 50 1.326 3.872 2.477 1.00 1.00 N ATOM 712 CA PHE A 50 2.231 3.047 3.246 1.00 1.00 C ATOM 713 C PHE A 50 3.454 3.867 3.576 1.00 1.00 C ATOM 714 O PHE A 50 3.814 4.843 2.903 1.00 1.00 O ATOM 715 CB PHE A 50 2.542 1.722 2.538 1.00 1.00 C ATOM 716 CG PHE A 50 1.306 0.841 2.503 1.00 1.00 C ATOM 717 CD1 PHE A 50 0.959 0.088 3.642 1.00 1.00 C ATOM 718 CD2 PHE A 50 0.424 0.881 1.405 1.00 1.00 C ATOM 719 CE1 PHE A 50 -0.269 -0.594 3.690 1.00 1.00 C ATOM 720 CE2 PHE A 50 -0.789 0.173 1.447 1.00 1.00 C ATOM 721 CZ PHE A 50 -1.146 -0.555 2.594 1.00 1.00 C ATOM 0 H PHE A 50 1.727 4.177 1.590 1.00 1.00 H new ATOM 0 HA PHE A 50 1.763 2.744 4.183 1.00 1.00 H new ATOM 0 HB2 PHE A 50 2.887 1.917 1.523 1.00 1.00 H new ATOM 0 HB3 PHE A 50 3.350 1.206 3.056 1.00 1.00 H new ATOM 0 HD1 PHE A 50 1.638 0.035 4.480 1.00 1.00 H new ATOM 0 HD2 PHE A 50 0.681 1.457 0.529 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -0.540 -1.151 4.575 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -1.450 0.189 0.593 1.00 1.00 H new ATOM 0 HZ PHE A 50 -2.088 -1.081 2.633 1.00 1.00 H new ATOM 731 N HIS A 51 4.153 3.367 4.582 1.00 1.00 N ATOM 732 CA HIS A 51 5.284 4.029 5.196 1.00 1.00 C ATOM 733 C HIS A 51 6.602 3.605 4.580 1.00 1.00 C ATOM 734 O HIS A 51 7.594 4.316 4.701 1.00 1.00 O ATOM 735 CB HIS A 51 5.287 3.644 6.681 1.00 1.00 C ATOM 736 CG HIS A 51 3.898 3.606 7.289 1.00 1.00 C ATOM 737 ND1 HIS A 51 3.055 4.678 7.541 1.00 1.00 N ATOM 738 CD2 HIS A 51 3.160 2.461 7.393 1.00 1.00 C ATOM 739 CE1 HIS A 51 1.828 4.175 7.800 1.00 1.00 C ATOM 740 NE2 HIS A 51 1.870 2.828 7.727 1.00 1.00 N ATOM 0 H HIS A 51 3.940 2.463 5.003 1.00 1.00 H new ATOM 0 HA HIS A 51 5.186 5.104 5.047 1.00 1.00 H new ATOM 0 HB2 HIS A 51 5.754 2.666 6.796 1.00 1.00 H new ATOM 0 HB3 HIS A 51 5.900 4.356 7.234 1.00 1.00 H new ATOM 0 HD2 HIS A 51 3.519 1.454 7.242 1.00 1.00 H new ATOM 0 HE1 HIS A 51 0.950 4.760 8.030 1.00 1.00 H new ATOM 0 HE2 HIS A 51 1.088 2.193 7.890 1.00 1.00 H new ATOM 749 N SER A 52 6.602 2.471 3.898 1.00 1.00 N ATOM 750 CA SER A 52 7.806 1.869 3.364 1.00 1.00 C ATOM 751 C SER A 52 7.420 0.794 2.363 1.00 1.00 C ATOM 752 O SER A 52 6.259 0.396 2.268 1.00 1.00 O ATOM 753 CB SER A 52 8.620 1.258 4.525 1.00 1.00 C ATOM 754 OG SER A 52 7.778 0.553 5.418 1.00 1.00 O ATOM 0 H SER A 52 5.755 1.939 3.699 1.00 1.00 H new ATOM 0 HA SER A 52 8.415 2.620 2.860 1.00 1.00 H new ATOM 0 HB2 SER A 52 9.379 0.585 4.127 1.00 1.00 H new ATOM 0 HB3 SER A 52 9.145 2.048 5.062 1.00 1.00 H new ATOM 0 HG SER A 52 8.323 0.112 6.102 1.00 1.00 H new ATOM 760 N ARG A 53 8.419 0.319 1.623 1.00 1.00 N ATOM 761 CA ARG A 53 8.270 -0.809 0.711 1.00 1.00 C ATOM 762 C ARG A 53 7.855 -2.028 1.528 1.00 1.00 C ATOM 763 O ARG A 53 6.917 -2.721 1.164 1.00 1.00 O ATOM 764 CB ARG A 53 9.596 -1.021 -0.017 1.00 1.00 C ATOM 765 CG ARG A 53 9.572 -2.223 -0.954 1.00 1.00 C ATOM 766 CD ARG A 53 8.575 -2.158 -2.112 1.00 1.00 C ATOM 767 NE ARG A 53 8.602 -3.436 -2.827 1.00 1.00 N ATOM 768 CZ ARG A 53 8.859 -3.734 -4.102 1.00 1.00 C ATOM 769 NH1 ARG A 53 8.930 -2.803 -5.047 1.00 1.00 N ATOM 770 NH2 ARG A 53 9.038 -5.006 -4.421 1.00 1.00 N ATOM 0 H ARG A 53 9.361 0.710 1.641 1.00 1.00 H new ATOM 0 HA ARG A 53 7.503 -0.628 -0.042 1.00 1.00 H new ATOM 0 HB2 ARG A 53 9.838 -0.125 -0.589 1.00 1.00 H new ATOM 0 HB3 ARG A 53 10.391 -1.155 0.717 1.00 1.00 H new ATOM 0 HG2 ARG A 53 10.571 -2.353 -1.369 1.00 1.00 H new ATOM 0 HG3 ARG A 53 9.354 -3.113 -0.364 1.00 1.00 H new ATOM 0 HD2 ARG A 53 7.572 -1.956 -1.736 1.00 1.00 H new ATOM 0 HD3 ARG A 53 8.832 -1.342 -2.787 1.00 1.00 H new ATOM 0 HE ARG A 53 8.385 -4.245 -2.245 1.00 1.00 H new ATOM 0 HH11 ARG A 53 8.786 -1.822 -4.808 1.00 1.00 H new ATOM 0 HH12 ARG A 53 9.129 -3.069 -6.011 1.00 1.00 H new ATOM 0 HH21 ARG A 53 8.978 -5.726 -3.701 1.00 1.00 H new ATOM 0 HH22 ARG A 53 9.236 -5.267 -5.387 1.00 1.00 H new ATOM 784 N GLU A 54 8.571 -2.224 2.630 1.00 1.00 N ATOM 785 CA GLU A 54 8.373 -3.203 3.681 1.00 1.00 C ATOM 786 C GLU A 54 6.932 -3.250 4.147 1.00 1.00 C ATOM 787 O GLU A 54 6.249 -4.221 3.850 1.00 1.00 O ATOM 788 CB GLU A 54 9.374 -2.785 4.777 1.00 1.00 C ATOM 789 CG GLU A 54 9.172 -3.226 6.238 1.00 1.00 C ATOM 790 CD GLU A 54 8.558 -2.077 7.059 1.00 1.00 C ATOM 791 OE1 GLU A 54 9.097 -0.945 6.980 1.00 1.00 O ATOM 792 OE2 GLU A 54 7.459 -2.258 7.612 1.00 1.00 O ATOM 0 H GLU A 54 9.385 -1.640 2.824 1.00 1.00 H new ATOM 0 HA GLU A 54 8.558 -4.226 3.353 1.00 1.00 H new ATOM 0 HB2 GLU A 54 10.356 -3.143 4.467 1.00 1.00 H new ATOM 0 HB3 GLU A 54 9.416 -1.696 4.774 1.00 1.00 H new ATOM 0 HG2 GLU A 54 8.520 -4.099 6.275 1.00 1.00 H new ATOM 0 HG3 GLU A 54 10.127 -3.523 6.672 1.00 1.00 H new ATOM 799 N SER A 55 6.455 -2.179 4.771 1.00 1.00 N ATOM 800 CA SER A 55 5.115 -2.195 5.364 1.00 1.00 C ATOM 801 C SER A 55 4.030 -2.451 4.323 1.00 1.00 C ATOM 802 O SER A 55 3.006 -3.052 4.623 1.00 1.00 O ATOM 803 CB SER A 55 4.827 -0.933 6.193 1.00 1.00 C ATOM 804 OG SER A 55 5.104 0.285 5.510 1.00 1.00 O ATOM 0 H SER A 55 6.963 -1.301 4.881 1.00 1.00 H new ATOM 0 HA SER A 55 5.095 -3.036 6.058 1.00 1.00 H new ATOM 0 HB2 SER A 55 3.779 -0.939 6.493 1.00 1.00 H new ATOM 0 HB3 SER A 55 5.420 -0.968 7.107 1.00 1.00 H new ATOM 0 HG SER A 55 6.057 0.499 5.596 1.00 1.00 H new ATOM 810 N CYS A 56 4.241 -1.963 3.105 1.00 1.00 N ATOM 811 CA CYS A 56 3.311 -2.112 2.009 1.00 1.00 C ATOM 812 C CYS A 56 3.224 -3.539 1.516 1.00 1.00 C ATOM 813 O CYS A 56 2.129 -4.073 1.352 1.00 1.00 O ATOM 814 CB CYS A 56 3.827 -1.201 0.891 1.00 1.00 C ATOM 815 SG CYS A 56 2.718 -0.881 -0.484 1.00 1.00 S ATOM 0 H CYS A 56 5.082 -1.444 2.855 1.00 1.00 H new ATOM 0 HA CYS A 56 2.305 -1.844 2.333 1.00 1.00 H new ATOM 0 HB2 CYS A 56 4.100 -0.244 1.334 1.00 1.00 H new ATOM 0 HB3 CYS A 56 4.741 -1.640 0.492 1.00 1.00 H new ATOM 820 N GLU A 57 4.374 -4.142 1.241 1.00 1.00 N ATOM 821 CA GLU A 57 4.395 -5.522 0.788 1.00 1.00 C ATOM 822 C GLU A 57 3.977 -6.448 1.917 1.00 1.00 C ATOM 823 O GLU A 57 3.441 -7.517 1.642 1.00 1.00 O ATOM 824 CB GLU A 57 5.668 -5.879 0.020 1.00 1.00 C ATOM 825 CG GLU A 57 5.571 -5.100 -1.306 1.00 1.00 C ATOM 826 CD GLU A 57 6.517 -5.515 -2.419 1.00 1.00 C ATOM 827 OE1 GLU A 57 7.668 -5.943 -2.167 1.00 1.00 O ATOM 828 OE2 GLU A 57 6.185 -5.174 -3.575 1.00 1.00 O ATOM 0 H GLU A 57 5.291 -3.703 1.323 1.00 1.00 H new ATOM 0 HA GLU A 57 3.638 -5.671 0.018 1.00 1.00 H new ATOM 0 HB2 GLU A 57 6.559 -5.594 0.580 1.00 1.00 H new ATOM 0 HB3 GLU A 57 5.733 -6.952 -0.158 1.00 1.00 H new ATOM 0 HG2 GLU A 57 4.550 -5.189 -1.678 1.00 1.00 H new ATOM 0 HG3 GLU A 57 5.741 -4.045 -1.092 1.00 1.00 H new ATOM 835 N ASP A 58 4.292 -6.117 3.171 1.00 1.00 N ATOM 836 CA ASP A 58 3.777 -6.910 4.275 1.00 1.00 C ATOM 837 C ASP A 58 2.264 -6.714 4.427 1.00 1.00 C ATOM 838 O ASP A 58 1.605 -7.673 4.840 1.00 1.00 O ATOM 839 CB ASP A 58 4.509 -6.651 5.594 1.00 1.00 C ATOM 840 CG ASP A 58 4.155 -7.778 6.570 1.00 1.00 C ATOM 841 OD1 ASP A 58 4.648 -8.910 6.337 1.00 1.00 O ATOM 842 OD2 ASP A 58 3.347 -7.543 7.497 1.00 1.00 O ATOM 0 H ASP A 58 4.883 -5.329 3.437 1.00 1.00 H new ATOM 0 HA ASP A 58 3.968 -7.954 4.026 1.00 1.00 H new ATOM 0 HB2 ASP A 58 5.586 -6.615 5.430 1.00 1.00 H new ATOM 0 HB3 ASP A 58 4.217 -5.685 6.007 1.00 1.00 H new ATOM 847 N ALA A 59 1.698 -5.544 4.052 1.00 1.00 N ATOM 848 CA ALA A 59 0.252 -5.358 4.099 1.00 1.00 C ATOM 849 C ALA A 59 -0.444 -6.193 3.024 1.00 1.00 C ATOM 850 O ALA A 59 -1.343 -6.982 3.322 1.00 1.00 O ATOM 851 CB ALA A 59 -0.116 -3.879 3.974 1.00 1.00 C ATOM 0 H ALA A 59 2.221 -4.734 3.720 1.00 1.00 H new ATOM 0 HA ALA A 59 -0.099 -5.707 5.070 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -1.200 -3.769 4.012 1.00 1.00 H new ATOM 0 HB2 ALA A 59 0.334 -3.321 4.795 1.00 1.00 H new ATOM 0 HB3 ALA A 59 0.255 -3.491 3.025 1.00 1.00 H new ATOM 857 N CYS A 60 -0.020 -6.034 1.767 1.00 1.00 N ATOM 858 CA CYS A 60 -0.577 -6.750 0.633 1.00 1.00 C ATOM 859 C CYS A 60 0.517 -7.534 -0.090 1.00 1.00 C ATOM 860 O CYS A 60 1.044 -7.088 -1.112 1.00 1.00 O ATOM 861 CB CYS A 60 -1.397 -5.807 -0.237 1.00 1.00 C ATOM 862 SG CYS A 60 -2.946 -5.387 0.606 1.00 1.00 S ATOM 0 H CYS A 60 0.731 -5.393 1.513 1.00 1.00 H new ATOM 0 HA CYS A 60 -1.286 -7.508 0.966 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -0.828 -4.901 -0.444 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -1.610 -6.276 -1.197 1.00 1.00 H new ATOM 867 N PRO A 61 0.867 -8.710 0.456 1.00 1.00 N ATOM 868 CA PRO A 61 1.828 -9.622 -0.124 1.00 1.00 C ATOM 869 C PRO A 61 1.158 -10.465 -1.215 1.00 1.00 C ATOM 870 O PRO A 61 0.110 -10.141 -1.774 1.00 1.00 O ATOM 871 CB PRO A 61 2.284 -10.472 1.076 1.00 1.00 C ATOM 872 CG PRO A 61 1.023 -10.610 1.919 1.00 1.00 C ATOM 873 CD PRO A 61 0.357 -9.254 1.715 1.00 1.00 C ATOM 0 HA PRO A 61 2.669 -9.130 -0.613 1.00 1.00 H new ATOM 0 HB2 PRO A 61 2.662 -11.444 0.758 1.00 1.00 H new ATOM 0 HB3 PRO A 61 3.086 -9.984 1.631 1.00 1.00 H new ATOM 0 HG2 PRO A 61 0.392 -11.430 1.578 1.00 1.00 H new ATOM 0 HG3 PRO A 61 1.252 -10.799 2.968 1.00 1.00 H new ATOM 0 HD2 PRO A 61 -0.727 -9.359 1.678 1.00 1.00 H new ATOM 0 HD3 PRO A 61 0.584 -8.584 2.544 1.00 1.00 H new ATOM 881 N VAL A 62 1.853 -11.542 -1.556 1.00 1.00 N ATOM 882 CA VAL A 62 1.420 -12.600 -2.445 1.00 1.00 C ATOM 883 C VAL A 62 0.828 -13.617 -1.448 1.00 1.00 C ATOM 884 O VAL A 62 0.337 -13.250 -0.376 1.00 1.00 O ATOM 885 CB VAL A 62 2.614 -13.085 -3.312 1.00 1.00 C ATOM 886 CG1 VAL A 62 2.129 -13.804 -4.583 1.00 1.00 C ATOM 887 CG2 VAL A 62 3.524 -11.930 -3.777 1.00 1.00 C ATOM 0 H VAL A 62 2.792 -11.706 -1.194 1.00 1.00 H new ATOM 0 HA VAL A 62 0.681 -12.340 -3.203 1.00 1.00 H new ATOM 0 HB VAL A 62 3.175 -13.760 -2.665 1.00 1.00 H new ATOM 0 HG11 VAL A 62 2.989 -14.131 -5.167 1.00 1.00 H new ATOM 0 HG12 VAL A 62 1.530 -14.671 -4.304 1.00 1.00 H new ATOM 0 HG13 VAL A 62 1.524 -13.121 -5.179 1.00 1.00 H new ATOM 0 HG21 VAL A 62 4.340 -12.330 -4.379 1.00 1.00 H new ATOM 0 HG22 VAL A 62 2.943 -11.227 -4.374 1.00 1.00 H new ATOM 0 HG23 VAL A 62 3.932 -11.416 -2.907 1.00 1.00 H new ATOM 897 N VAL A 63 0.813 -14.893 -1.802 1.00 1.00 N ATOM 898 CA VAL A 63 0.398 -15.955 -0.885 1.00 1.00 C ATOM 899 C VAL A 63 1.158 -15.805 0.456 1.00 1.00 C ATOM 900 O VAL A 63 2.293 -15.320 0.496 1.00 1.00 O ATOM 901 CB VAL A 63 0.574 -17.341 -1.537 1.00 1.00 C ATOM 902 CG1 VAL A 63 -0.059 -18.467 -0.704 1.00 1.00 C ATOM 903 CG2 VAL A 63 -0.052 -17.402 -2.945 1.00 1.00 C ATOM 0 H VAL A 63 1.086 -15.225 -2.727 1.00 1.00 H new ATOM 0 HA VAL A 63 -0.666 -15.864 -0.665 1.00 1.00 H new ATOM 0 HB VAL A 63 1.652 -17.488 -1.597 1.00 1.00 H new ATOM 0 HG11 VAL A 63 0.093 -19.422 -1.207 1.00 1.00 H new ATOM 0 HG12 VAL A 63 0.408 -18.498 0.281 1.00 1.00 H new ATOM 0 HG13 VAL A 63 -1.127 -18.281 -0.594 1.00 1.00 H new ATOM 0 HG21 VAL A 63 0.096 -18.396 -3.366 1.00 1.00 H new ATOM 0 HG22 VAL A 63 -1.119 -17.191 -2.878 1.00 1.00 H new ATOM 0 HG23 VAL A 63 0.424 -16.662 -3.587 1.00 1.00 H new ATOM 913 N ASP A 64 0.491 -16.226 1.534 1.00 1.00 N ATOM 914 CA ASP A 64 0.894 -16.164 2.943 1.00 1.00 C ATOM 915 C ASP A 64 2.393 -16.392 3.122 1.00 1.00 C ATOM 916 O ASP A 64 2.922 -17.405 2.652 1.00 1.00 O ATOM 917 CB ASP A 64 0.082 -17.219 3.727 1.00 1.00 C ATOM 918 CG ASP A 64 0.593 -17.522 5.147 1.00 1.00 C ATOM 919 OD1 ASP A 64 1.409 -18.455 5.312 1.00 1.00 O ATOM 920 OD2 ASP A 64 0.108 -16.895 6.118 1.00 1.00 O ATOM 0 H ASP A 64 -0.428 -16.658 1.435 1.00 1.00 H new ATOM 0 HA ASP A 64 0.687 -15.165 3.327 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -0.952 -16.880 3.795 1.00 1.00 H new ATOM 0 HB3 ASP A 64 0.076 -18.147 3.155 1.00 1.00 H new ATOM 925 N HIS A 65 3.107 -15.437 3.750 1.00 1.00 N ATOM 926 CA HIS A 65 4.503 -15.629 4.095 1.00 1.00 C ATOM 927 C HIS A 65 4.361 -16.838 5.014 1.00 1.00 C ATOM 928 O HIS A 65 3.870 -16.638 6.116 1.00 1.00 O ATOM 929 CB HIS A 65 5.086 -14.411 4.832 1.00 1.00 C ATOM 930 CG HIS A 65 4.951 -13.047 4.191 1.00 1.00 C ATOM 931 ND1 HIS A 65 4.756 -11.871 4.896 1.00 1.00 N ATOM 932 CD2 HIS A 65 5.056 -12.733 2.860 1.00 1.00 C ATOM 933 CE1 HIS A 65 4.750 -10.863 4.012 1.00 1.00 C ATOM 934 NE2 HIS A 65 4.939 -11.355 2.772 1.00 1.00 N ATOM 0 H HIS A 65 2.727 -14.530 4.023 1.00 1.00 H new ATOM 0 HA HIS A 65 5.180 -15.761 3.251 1.00 1.00 H new ATOM 0 HB2 HIS A 65 4.618 -14.363 5.815 1.00 1.00 H new ATOM 0 HB3 HIS A 65 6.148 -14.598 4.993 1.00 1.00 H new ATOM 0 HD1 HIS A 65 4.638 -11.787 5.906 1.00 1.00 H new ATOM 0 HD2 HIS A 65 5.201 -13.423 2.042 1.00 1.00 H new ATOM 0 HE1 HIS A 65 4.615 -9.820 4.256 1.00 1.00 H new ATOM 943 N HIS A 66 4.882 -18.013 4.642 1.00 1.00 N ATOM 944 CA HIS A 66 4.673 -19.273 5.359 1.00 1.00 C ATOM 945 C HIS A 66 4.523 -19.199 6.885 1.00 1.00 C ATOM 946 O HIS A 66 5.444 -19.471 7.662 1.00 1.00 O ATOM 947 CB HIS A 66 5.668 -20.357 4.915 1.00 1.00 C ATOM 948 CG HIS A 66 5.239 -21.719 5.416 1.00 1.00 C ATOM 949 ND1 HIS A 66 5.323 -22.146 6.730 1.00 1.00 N ATOM 950 CD2 HIS A 66 4.541 -22.656 4.705 1.00 1.00 C ATOM 951 CE1 HIS A 66 4.675 -23.324 6.817 1.00 1.00 C ATOM 952 NE2 HIS A 66 4.206 -23.661 5.597 1.00 1.00 N ATOM 0 H HIS A 66 5.473 -18.115 3.817 1.00 1.00 H new ATOM 0 HA HIS A 66 3.671 -19.567 5.047 1.00 1.00 H new ATOM 0 HB2 HIS A 66 5.737 -20.370 3.827 1.00 1.00 H new ATOM 0 HB3 HIS A 66 6.662 -20.122 5.295 1.00 1.00 H new ATOM 0 HD1 HIS A 66 5.791 -21.658 7.494 1.00 1.00 H new ATOM 0 HD2 HIS A 66 4.298 -22.619 3.653 1.00 1.00 H new ATOM 0 HE1 HIS A 66 4.551 -23.906 7.719 1.00 1.00 H new ATOM 961 N HIS A 67 3.273 -18.988 7.266 1.00 1.00 N ATOM 962 CA HIS A 67 2.628 -18.965 8.554 1.00 1.00 C ATOM 963 C HIS A 67 1.416 -19.849 8.224 1.00 1.00 C ATOM 964 O HIS A 67 1.593 -21.045 7.981 1.00 1.00 O ATOM 965 CB HIS A 67 2.259 -17.509 8.949 1.00 1.00 C ATOM 966 CG HIS A 67 3.379 -16.512 9.140 1.00 1.00 C ATOM 967 ND1 HIS A 67 3.410 -15.241 8.586 1.00 1.00 N ATOM 968 CD2 HIS A 67 4.469 -16.647 9.958 1.00 1.00 C ATOM 969 CE1 HIS A 67 4.498 -14.617 9.067 1.00 1.00 C ATOM 970 NE2 HIS A 67 5.160 -15.447 9.898 1.00 1.00 N ATOM 0 H HIS A 67 2.578 -18.797 6.544 1.00 1.00 H new ATOM 0 HA HIS A 67 3.208 -19.311 9.410 1.00 1.00 H new ATOM 0 HB2 HIS A 67 1.591 -17.116 8.183 1.00 1.00 H new ATOM 0 HB3 HIS A 67 1.689 -17.551 9.877 1.00 1.00 H new ATOM 0 HD1 HIS A 67 2.731 -14.851 7.933 1.00 1.00 H new ATOM 0 HD2 HIS A 67 4.738 -17.518 10.537 1.00 1.00 H new ATOM 0 HE1 HIS A 67 4.796 -13.607 8.826 1.00 1.00 H new ATOM 979 N HIS A 68 0.216 -19.274 8.279 1.00 1.00 N ATOM 980 CA HIS A 68 -1.121 -19.734 7.916 1.00 1.00 C ATOM 981 C HIS A 68 -2.060 -18.626 8.406 1.00 1.00 C ATOM 982 O HIS A 68 -3.005 -18.912 9.137 1.00 1.00 O ATOM 983 CB HIS A 68 -1.490 -21.143 8.429 1.00 1.00 C ATOM 984 CG HIS A 68 -2.887 -21.598 8.035 1.00 1.00 C ATOM 985 ND1 HIS A 68 -3.612 -21.182 6.929 1.00 1.00 N ATOM 986 CD2 HIS A 68 -3.716 -22.374 8.802 1.00 1.00 C ATOM 987 CE1 HIS A 68 -4.857 -21.671 7.038 1.00 1.00 C ATOM 988 NE2 HIS A 68 -4.943 -22.415 8.159 1.00 1.00 N ATOM 0 H HIS A 68 0.155 -18.321 8.638 1.00 1.00 H new ATOM 0 HA HIS A 68 -1.198 -19.884 6.839 1.00 1.00 H new ATOM 0 HB2 HIS A 68 -0.764 -21.860 8.046 1.00 1.00 H new ATOM 0 HB3 HIS A 68 -1.408 -21.156 9.516 1.00 1.00 H new ATOM 0 HD1 HIS A 68 -3.260 -20.605 6.165 1.00 1.00 H new ATOM 0 HD2 HIS A 68 -3.461 -22.861 9.732 1.00 1.00 H new ATOM 0 HE1 HIS A 68 -5.662 -21.496 6.339 1.00 1.00 H new ATOM 997 N HIS A 69 -1.740 -17.349 8.152 1.00 1.00 N ATOM 998 CA HIS A 69 -2.582 -16.259 8.647 1.00 1.00 C ATOM 999 C HIS A 69 -3.935 -16.270 7.920 1.00 1.00 C ATOM 1000 O HIS A 69 -4.911 -15.738 8.435 1.00 1.00 O ATOM 1001 CB HIS A 69 -1.854 -14.910 8.554 1.00 1.00 C ATOM 1002 CG HIS A 69 -1.934 -14.253 7.203 1.00 1.00 C ATOM 1003 ND1 HIS A 69 -0.927 -14.138 6.260 1.00 1.00 N ATOM 1004 CD2 HIS A 69 -3.009 -13.538 6.770 1.00 1.00 C ATOM 1005 CE1 HIS A 69 -1.403 -13.358 5.265 1.00 1.00 C ATOM 1006 NE2 HIS A 69 -2.662 -12.986 5.561 1.00 1.00 N ATOM 0 H HIS A 69 -0.923 -17.053 7.619 1.00 1.00 H new ATOM 0 HA HIS A 69 -2.787 -16.413 9.707 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -2.272 -14.233 9.299 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -0.805 -15.058 8.811 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -3.954 -13.426 7.280 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -0.860 -13.078 4.374 1.00 1.00 H new ATOM 0 HE2 HIS A 69 -3.259 -12.393 4.984 1.00 1.00 H new ATOM 1015 N HIS A 70 -3.973 -16.877 6.736 1.00 1.00 N ATOM 1016 CA HIS A 70 -5.112 -17.154 5.892 1.00 1.00 C ATOM 1017 C HIS A 70 -4.876 -18.592 5.451 1.00 1.00 C ATOM 1018 O HIS A 70 -3.686 -18.999 5.401 1.00 1.00 O ATOM 1019 CB HIS A 70 -5.155 -16.185 4.704 1.00 1.00 C ATOM 1020 CG HIS A 70 -6.551 -15.893 4.212 1.00 1.00 C ATOM 1021 ND1 HIS A 70 -7.108 -14.635 4.159 1.00 1.00 N ATOM 1022 CD2 HIS A 70 -7.484 -16.794 3.782 1.00 1.00 C ATOM 1023 CE1 HIS A 70 -8.362 -14.749 3.685 1.00 1.00 C ATOM 1024 NE2 HIS A 70 -8.613 -16.057 3.446 1.00 1.00 N ATOM 1025 OXT HIS A 70 -5.862 -19.330 5.261 1.00 1.00 O ATOM 0 H HIS A 70 -3.112 -17.219 6.308 1.00 1.00 H new ATOM 0 HA HIS A 70 -6.071 -17.027 6.395 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -4.677 -15.249 4.992 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -4.570 -16.602 3.884 1.00 1.00 H new ATOM 0 HD1 HIS A 70 -6.649 -13.766 4.432 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -7.367 -17.866 3.716 1.00 1.00 H new ATOM 0 HE1 HIS A 70 -9.052 -13.934 3.523 1.00 1.00 H new TER 1034 HIS A 70