USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=12 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 52 SER OG : rot 174:sc= 2.17 USER MOD Set 1.2: A 55 SER OG : rot -88:sc= 1.18 USER MOD Set 2.1: A 49 ASN : amide:sc= -0.669 K(o=-0.82,f=-1.4) USER MOD Set 2.2: A 51 HIS : no HD1:sc= -0.15 X(o=-0.82,f=-0.67) USER MOD Set 3.1: A 29 SER OG : rot 174:sc= 1.19 USER MOD Set 3.2: A 36 HIS : no HE2:sc= 2.15 K(o=3.3,f=-9!) USER MOD Set 4.1: A 28 TYR OH : rot 22:sc= 1.12 USER MOD Set 4.2: A 33 GLN : amide:sc= -0.136 K(o=0.98,f=-0.41) USER MOD Single : A 1 GLU N :NH3+ 170:sc= 1.27 (180deg=1.12) USER MOD Single : A 7 THR OG1 : rot 56:sc= 1.66 USER MOD Single : A 16 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 34 GLN : amide:sc= -4.21! C(o=-4.2!,f=-6.4!) USER MOD Single : A 40 TYR OH : rot -30:sc= 1.18 USER MOD Single : A 46 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.3) USER MOD Single : A 48 ASN : amide:sc= 2.03 K(o=2,f=-7.2!) USER MOD Single : A 65 HIS : no HD1:sc= -0.328 K(o=1.1,f=-7.7!) USER MOD Single : A 66 HIS : no HE2:sc= 1.03 K(o=1,f=-3.9!) USER MOD Single : A 67 HIS : no HE2:sc= -0.25 K(o=1.3,f=-8.1!) USER MOD Single : A 68 HIS : no HE2:sc= 1.05 K(o=1,f=-3.8!) USER MOD Single : A 69 HIS : no HD1:sc= -0.129 K(o=0.55,f=-7.4!) USER MOD Single : A 70 HIS : no HE2:sc= 1.01 K(o=1,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -12.632 4.328 1.825 1.00 1.00 N ATOM 2 CA GLU A 1 -12.524 3.080 2.596 1.00 1.00 C ATOM 3 C GLU A 1 -13.879 2.791 3.239 1.00 1.00 C ATOM 4 O GLU A 1 -14.758 3.650 3.185 1.00 1.00 O ATOM 5 CB GLU A 1 -11.372 3.162 3.612 1.00 1.00 C ATOM 6 CG GLU A 1 -10.021 2.787 2.976 1.00 1.00 C ATOM 7 CD GLU A 1 -9.397 3.856 2.088 1.00 1.00 C ATOM 8 OE1 GLU A 1 -10.045 4.242 1.085 1.00 1.00 O ATOM 9 OE2 GLU A 1 -8.256 4.256 2.382 1.00 1.00 O ATOM 0 H1 GLU A 1 -11.685 4.631 1.521 1.00 1.00 H new ATOM 0 H2 GLU A 1 -13.230 4.169 0.989 1.00 1.00 H new ATOM 0 H3 GLU A 1 -13.058 5.068 2.419 1.00 1.00 H new ATOM 0 HA GLU A 1 -12.276 2.244 1.942 1.00 1.00 H new ATOM 0 HB2 GLU A 1 -11.315 4.173 4.016 1.00 1.00 H new ATOM 0 HB3 GLU A 1 -11.577 2.495 4.449 1.00 1.00 H new ATOM 0 HG2 GLU A 1 -9.318 2.545 3.773 1.00 1.00 H new ATOM 0 HG3 GLU A 1 -10.156 1.881 2.385 1.00 1.00 H new ATOM 18 N ALA A 2 -14.053 1.587 3.779 1.00 1.00 N ATOM 19 CA ALA A 2 -15.159 1.094 4.585 1.00 1.00 C ATOM 20 C ALA A 2 -14.538 0.121 5.595 1.00 1.00 C ATOM 21 O ALA A 2 -13.470 -0.421 5.319 1.00 1.00 O ATOM 22 CB ALA A 2 -16.192 0.390 3.695 1.00 1.00 C ATOM 0 H ALA A 2 -13.349 0.861 3.647 1.00 1.00 H new ATOM 0 HA ALA A 2 -15.686 1.901 5.094 1.00 1.00 H new ATOM 0 HB1 ALA A 2 -17.015 0.026 4.311 1.00 1.00 H new ATOM 0 HB2 ALA A 2 -16.576 1.094 2.956 1.00 1.00 H new ATOM 0 HB3 ALA A 2 -15.721 -0.450 3.185 1.00 1.00 H new ATOM 28 N GLU A 3 -15.280 -0.202 6.651 1.00 1.00 N ATOM 29 CA GLU A 3 -14.907 -0.982 7.833 1.00 1.00 C ATOM 30 C GLU A 3 -13.893 -2.117 7.580 1.00 1.00 C ATOM 31 O GLU A 3 -12.687 -1.893 7.659 1.00 1.00 O ATOM 32 CB GLU A 3 -16.175 -1.466 8.589 1.00 1.00 C ATOM 33 CG GLU A 3 -17.358 -0.484 8.686 1.00 1.00 C ATOM 34 CD GLU A 3 -16.929 0.974 8.857 1.00 1.00 C ATOM 35 OE1 GLU A 3 -16.505 1.328 9.975 1.00 1.00 O ATOM 36 OE2 GLU A 3 -16.963 1.679 7.821 1.00 1.00 O ATOM 0 H GLU A 3 -16.251 0.104 6.708 1.00 1.00 H new ATOM 0 HA GLU A 3 -14.356 -0.297 8.478 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -16.530 -2.375 8.104 1.00 1.00 H new ATOM 0 HB3 GLU A 3 -15.880 -1.740 9.602 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -17.967 -0.572 7.787 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -17.989 -0.770 9.528 1.00 1.00 H new ATOM 43 N ALA A 4 -14.353 -3.356 7.368 1.00 1.00 N ATOM 44 CA ALA A 4 -13.498 -4.500 7.057 1.00 1.00 C ATOM 45 C ALA A 4 -13.762 -5.100 5.675 1.00 1.00 C ATOM 46 O ALA A 4 -12.835 -5.608 5.044 1.00 1.00 O ATOM 47 CB ALA A 4 -13.650 -5.563 8.150 1.00 1.00 C ATOM 0 H ALA A 4 -15.345 -3.592 7.409 1.00 1.00 H new ATOM 0 HA ALA A 4 -12.471 -4.136 7.030 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -13.013 -6.416 7.919 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -13.357 -5.141 9.111 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -14.689 -5.889 8.199 1.00 1.00 H new ATOM 53 N GLU A 5 -15.021 -5.066 5.224 1.00 1.00 N ATOM 54 CA GLU A 5 -15.515 -5.699 4.003 1.00 1.00 C ATOM 55 C GLU A 5 -14.702 -5.360 2.755 1.00 1.00 C ATOM 56 O GLU A 5 -14.017 -6.237 2.229 1.00 1.00 O ATOM 57 CB GLU A 5 -17.016 -5.401 3.831 1.00 1.00 C ATOM 58 CG GLU A 5 -17.889 -6.228 4.795 1.00 1.00 C ATOM 59 CD GLU A 5 -17.746 -7.743 4.582 1.00 1.00 C ATOM 60 OE1 GLU A 5 -17.477 -8.180 3.443 1.00 1.00 O ATOM 61 OE2 GLU A 5 -17.835 -8.526 5.554 1.00 1.00 O ATOM 0 H GLU A 5 -15.757 -4.571 5.728 1.00 1.00 H new ATOM 0 HA GLU A 5 -15.383 -6.774 4.121 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -17.196 -4.339 4.001 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -17.311 -5.613 2.803 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -17.618 -5.984 5.822 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -18.933 -5.945 4.665 1.00 1.00 H new ATOM 68 N PHE A 6 -14.751 -4.117 2.266 1.00 1.00 N ATOM 69 CA PHE A 6 -14.043 -3.734 1.052 1.00 1.00 C ATOM 70 C PHE A 6 -13.163 -2.533 1.361 1.00 1.00 C ATOM 71 O PHE A 6 -13.613 -1.389 1.313 1.00 1.00 O ATOM 72 CB PHE A 6 -15.015 -3.490 -0.109 1.00 1.00 C ATOM 73 CG PHE A 6 -14.290 -3.287 -1.427 1.00 1.00 C ATOM 74 CD1 PHE A 6 -13.872 -4.404 -2.177 1.00 1.00 C ATOM 75 CD2 PHE A 6 -13.978 -1.989 -1.878 1.00 1.00 C ATOM 76 CE1 PHE A 6 -13.148 -4.225 -3.369 1.00 1.00 C ATOM 77 CE2 PHE A 6 -13.252 -1.812 -3.070 1.00 1.00 C ATOM 78 CZ PHE A 6 -12.836 -2.928 -3.815 1.00 1.00 C ATOM 0 H PHE A 6 -15.278 -3.359 2.699 1.00 1.00 H new ATOM 0 HA PHE A 6 -13.400 -4.549 0.720 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -15.695 -4.338 -0.196 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -15.625 -2.613 0.108 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -14.108 -5.401 -1.835 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -14.297 -1.129 -1.308 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -12.831 -5.084 -3.942 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -13.014 -0.816 -3.413 1.00 1.00 H new ATOM 0 HZ PHE A 6 -12.277 -2.790 -4.729 1.00 1.00 H new ATOM 88 N THR A 7 -11.907 -2.818 1.697 1.00 1.00 N ATOM 89 CA THR A 7 -10.817 -1.894 1.961 1.00 1.00 C ATOM 90 C THR A 7 -9.564 -2.738 2.113 1.00 1.00 C ATOM 91 O THR A 7 -9.418 -3.473 3.086 1.00 1.00 O ATOM 92 CB THR A 7 -11.112 -1.022 3.197 1.00 1.00 C ATOM 93 OG1 THR A 7 -11.948 0.016 2.734 1.00 1.00 O ATOM 94 CG2 THR A 7 -9.884 -0.422 3.891 1.00 1.00 C ATOM 0 H THR A 7 -11.604 -3.787 1.799 1.00 1.00 H new ATOM 0 HA THR A 7 -10.685 -1.184 1.144 1.00 1.00 H new ATOM 0 HB THR A 7 -11.563 -1.655 3.961 1.00 1.00 H new ATOM 0 HG1 THR A 7 -12.737 -0.369 2.299 1.00 1.00 H new ATOM 0 HG21 THR A 7 -10.204 0.173 4.747 1.00 1.00 H new ATOM 0 HG22 THR A 7 -9.230 -1.225 4.231 1.00 1.00 H new ATOM 0 HG23 THR A 7 -9.344 0.213 3.189 1.00 1.00 H new ATOM 102 N ASP A 8 -8.695 -2.704 1.108 1.00 1.00 N ATOM 103 CA ASP A 8 -7.395 -3.337 1.140 1.00 1.00 C ATOM 104 C ASP A 8 -6.460 -2.403 0.397 1.00 1.00 C ATOM 105 O ASP A 8 -6.787 -1.986 -0.716 1.00 1.00 O ATOM 106 CB ASP A 8 -7.421 -4.706 0.471 1.00 1.00 C ATOM 107 CG ASP A 8 -6.211 -5.502 0.951 1.00 1.00 C ATOM 108 OD1 ASP A 8 -5.082 -5.009 0.744 1.00 1.00 O ATOM 109 OD2 ASP A 8 -6.444 -6.548 1.602 1.00 1.00 O ATOM 0 H ASP A 8 -8.887 -2.222 0.230 1.00 1.00 H new ATOM 0 HA ASP A 8 -7.072 -3.505 2.167 1.00 1.00 H new ATOM 0 HB2 ASP A 8 -8.343 -5.232 0.719 1.00 1.00 H new ATOM 0 HB3 ASP A 8 -7.398 -4.598 -0.613 1.00 1.00 H new ATOM 114 N ALA A 9 -5.338 -2.037 1.013 1.00 1.00 N ATOM 115 CA ALA A 9 -4.369 -1.156 0.385 1.00 1.00 C ATOM 116 C ALA A 9 -3.856 -1.763 -0.926 1.00 1.00 C ATOM 117 O ALA A 9 -3.638 -1.026 -1.884 1.00 1.00 O ATOM 118 CB ALA A 9 -3.229 -0.875 1.360 1.00 1.00 C ATOM 0 H ALA A 9 -5.081 -2.342 1.952 1.00 1.00 H new ATOM 0 HA ALA A 9 -4.848 -0.209 0.135 1.00 1.00 H new ATOM 0 HB1 ALA A 9 -2.502 -0.214 0.889 1.00 1.00 H new ATOM 0 HB2 ALA A 9 -3.626 -0.398 2.256 1.00 1.00 H new ATOM 0 HB3 ALA A 9 -2.744 -1.812 1.633 1.00 1.00 H new ATOM 124 N CYS A 10 -3.731 -3.091 -1.001 1.00 1.00 N ATOM 125 CA CYS A 10 -3.297 -3.793 -2.200 1.00 1.00 C ATOM 126 C CYS A 10 -4.262 -3.551 -3.379 1.00 1.00 C ATOM 127 O CYS A 10 -3.858 -3.615 -4.539 1.00 1.00 O ATOM 128 CB CYS A 10 -3.159 -5.278 -1.829 1.00 1.00 C ATOM 129 SG CYS A 10 -2.348 -6.372 -3.022 1.00 1.00 S ATOM 0 H CYS A 10 -3.932 -3.712 -0.217 1.00 1.00 H new ATOM 0 HA CYS A 10 -2.335 -3.416 -2.547 1.00 1.00 H new ATOM 0 HB2 CYS A 10 -2.609 -5.339 -0.890 1.00 1.00 H new ATOM 0 HB3 CYS A 10 -4.158 -5.670 -1.639 1.00 1.00 H new ATOM 134 N VAL A 11 -5.539 -3.264 -3.103 1.00 1.00 N ATOM 135 CA VAL A 11 -6.576 -3.015 -4.104 1.00 1.00 C ATOM 136 C VAL A 11 -6.776 -1.505 -4.361 1.00 1.00 C ATOM 137 O VAL A 11 -7.474 -1.139 -5.307 1.00 1.00 O ATOM 138 CB VAL A 11 -7.862 -3.753 -3.641 1.00 1.00 C ATOM 139 CG1 VAL A 11 -9.067 -3.612 -4.588 1.00 1.00 C ATOM 140 CG2 VAL A 11 -7.604 -5.267 -3.485 1.00 1.00 C ATOM 0 H VAL A 11 -5.887 -3.197 -2.147 1.00 1.00 H new ATOM 0 HA VAL A 11 -6.280 -3.411 -5.076 1.00 1.00 H new ATOM 0 HB VAL A 11 -8.109 -3.271 -2.695 1.00 1.00 H new ATOM 0 HG11 VAL A 11 -9.916 -4.161 -4.181 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -9.330 -2.559 -4.688 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -8.810 -4.016 -5.567 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -8.520 -5.761 -3.160 1.00 1.00 H new ATOM 0 HG22 VAL A 11 -7.288 -5.683 -4.442 1.00 1.00 H new ATOM 0 HG23 VAL A 11 -6.822 -5.428 -2.743 1.00 1.00 H new ATOM 150 N LEU A 12 -6.180 -0.607 -3.568 1.00 1.00 N ATOM 151 CA LEU A 12 -6.414 0.835 -3.642 1.00 1.00 C ATOM 152 C LEU A 12 -5.199 1.517 -4.280 1.00 1.00 C ATOM 153 O LEU A 12 -4.072 1.089 -4.043 1.00 1.00 O ATOM 154 CB LEU A 12 -6.794 1.295 -2.221 1.00 1.00 C ATOM 155 CG LEU A 12 -6.615 2.775 -1.858 1.00 1.00 C ATOM 156 CD1 LEU A 12 -7.901 3.588 -2.063 1.00 1.00 C ATOM 157 CD2 LEU A 12 -6.193 2.865 -0.391 1.00 1.00 C ATOM 0 H LEU A 12 -5.510 -0.869 -2.845 1.00 1.00 H new ATOM 0 HA LEU A 12 -7.241 1.119 -4.293 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -7.841 1.038 -2.058 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -6.208 0.707 -1.515 1.00 1.00 H new ATOM 0 HG LEU A 12 -5.856 3.196 -2.517 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -7.721 4.628 -1.792 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -8.204 3.533 -3.109 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -8.693 3.181 -1.434 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -6.061 3.911 -0.114 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -6.963 2.418 0.237 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -5.254 2.330 -0.249 1.00 1.00 H new ATOM 169 N PRO A 13 -5.379 2.561 -5.108 1.00 1.00 N ATOM 170 CA PRO A 13 -4.262 3.235 -5.747 1.00 1.00 C ATOM 171 C PRO A 13 -3.449 4.059 -4.750 1.00 1.00 C ATOM 172 O PRO A 13 -3.891 4.375 -3.647 1.00 1.00 O ATOM 173 CB PRO A 13 -4.860 4.111 -6.846 1.00 1.00 C ATOM 174 CG PRO A 13 -6.330 4.297 -6.457 1.00 1.00 C ATOM 175 CD PRO A 13 -6.641 3.188 -5.450 1.00 1.00 C ATOM 0 HA PRO A 13 -3.561 2.511 -6.163 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -4.345 5.070 -6.909 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -4.768 3.635 -7.822 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -6.496 5.281 -6.018 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -6.977 4.224 -7.331 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -7.122 3.597 -4.561 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -7.330 2.460 -5.878 1.00 1.00 H new ATOM 183 N ALA A 14 -2.256 4.451 -5.194 1.00 1.00 N ATOM 184 CA ALA A 14 -1.385 5.339 -4.444 1.00 1.00 C ATOM 185 C ALA A 14 -2.037 6.723 -4.433 1.00 1.00 C ATOM 186 O ALA A 14 -2.140 7.344 -5.493 1.00 1.00 O ATOM 187 CB ALA A 14 -0.013 5.384 -5.133 1.00 1.00 C ATOM 0 H ALA A 14 -1.869 4.157 -6.091 1.00 1.00 H new ATOM 0 HA ALA A 14 -1.243 4.994 -3.420 1.00 1.00 H new ATOM 0 HB1 ALA A 14 0.651 6.048 -4.579 1.00 1.00 H new ATOM 0 HB2 ALA A 14 0.415 4.382 -5.158 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -0.129 5.754 -6.152 1.00 1.00 H new ATOM 193 N VAL A 15 -2.472 7.219 -3.273 1.00 1.00 N ATOM 194 CA VAL A 15 -3.052 8.556 -3.184 1.00 1.00 C ATOM 195 C VAL A 15 -1.947 9.517 -2.773 1.00 1.00 C ATOM 196 O VAL A 15 -1.234 9.315 -1.789 1.00 1.00 O ATOM 197 CB VAL A 15 -4.260 8.619 -2.244 1.00 1.00 C ATOM 198 CG1 VAL A 15 -4.941 9.997 -2.274 1.00 1.00 C ATOM 199 CG2 VAL A 15 -5.307 7.560 -2.620 1.00 1.00 C ATOM 0 H VAL A 15 -2.433 6.716 -2.387 1.00 1.00 H new ATOM 0 HA VAL A 15 -3.449 8.843 -4.158 1.00 1.00 H new ATOM 0 HB VAL A 15 -3.876 8.430 -1.242 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -5.792 9.997 -1.593 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -4.229 10.762 -1.964 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -5.286 10.211 -3.286 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -6.154 7.627 -1.937 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -5.649 7.733 -3.640 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -4.862 6.567 -2.550 1.00 1.00 H new ATOM 209 N GLN A 16 -1.823 10.561 -3.580 1.00 1.00 N ATOM 210 CA GLN A 16 -0.821 11.614 -3.467 1.00 1.00 C ATOM 211 C GLN A 16 -1.323 12.771 -2.599 1.00 1.00 C ATOM 212 O GLN A 16 -0.515 13.466 -1.990 1.00 1.00 O ATOM 213 CB GLN A 16 -0.451 12.132 -4.869 1.00 1.00 C ATOM 214 CG GLN A 16 -0.037 11.017 -5.845 1.00 1.00 C ATOM 215 CD GLN A 16 0.490 11.589 -7.158 1.00 1.00 C ATOM 216 OE1 GLN A 16 -0.196 11.597 -8.170 1.00 1.00 O ATOM 217 NE2 GLN A 16 1.720 12.074 -7.174 1.00 1.00 N ATOM 0 H GLN A 16 -2.450 10.705 -4.372 1.00 1.00 H new ATOM 0 HA GLN A 16 0.062 11.192 -2.987 1.00 1.00 H new ATOM 0 HB2 GLN A 16 -1.302 12.671 -5.285 1.00 1.00 H new ATOM 0 HB3 GLN A 16 0.366 12.848 -4.779 1.00 1.00 H new ATOM 0 HG2 GLN A 16 0.730 10.395 -5.384 1.00 1.00 H new ATOM 0 HG3 GLN A 16 -0.892 10.372 -6.045 1.00 1.00 H new ATOM 0 HE21 GLN A 16 2.284 12.063 -6.324 1.00 1.00 H new ATOM 0 HE22 GLN A 16 2.105 12.460 -8.036 1.00 1.00 H new ATOM 226 N GLY A 17 -2.642 12.935 -2.514 1.00 1.00 N ATOM 227 CA GLY A 17 -3.308 14.036 -1.844 1.00 1.00 C ATOM 228 C GLY A 17 -3.346 15.283 -2.740 1.00 1.00 C ATOM 229 O GLY A 17 -2.701 15.311 -3.788 1.00 1.00 O ATOM 0 H GLY A 17 -3.298 12.273 -2.929 1.00 1.00 H new ATOM 0 HA2 GLY A 17 -4.324 13.744 -1.578 1.00 1.00 H new ATOM 0 HA3 GLY A 17 -2.789 14.268 -0.914 1.00 1.00 H new ATOM 233 N PRO A 18 -4.102 16.325 -2.358 1.00 1.00 N ATOM 234 CA PRO A 18 -4.322 17.512 -3.187 1.00 1.00 C ATOM 235 C PRO A 18 -3.176 18.544 -3.198 1.00 1.00 C ATOM 236 O PRO A 18 -3.294 19.573 -3.872 1.00 1.00 O ATOM 237 CB PRO A 18 -5.611 18.128 -2.627 1.00 1.00 C ATOM 238 CG PRO A 18 -5.589 17.735 -1.149 1.00 1.00 C ATOM 239 CD PRO A 18 -4.972 16.340 -1.186 1.00 1.00 C ATOM 0 HA PRO A 18 -4.382 17.217 -4.235 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -5.625 19.211 -2.753 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -6.494 17.737 -3.132 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -4.992 18.427 -0.554 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -6.590 17.725 -0.717 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -4.407 16.137 -0.276 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -5.743 15.573 -1.260 1.00 1.00 H new ATOM 247 N CYS A 19 -2.109 18.360 -2.416 1.00 1.00 N ATOM 248 CA CYS A 19 -1.033 19.339 -2.255 1.00 1.00 C ATOM 249 C CYS A 19 -0.151 19.500 -3.498 1.00 1.00 C ATOM 250 O CYS A 19 -0.390 18.917 -4.551 1.00 1.00 O ATOM 251 CB CYS A 19 -0.186 18.985 -1.026 1.00 1.00 C ATOM 252 SG CYS A 19 -1.101 19.115 0.516 1.00 1.00 S ATOM 0 H CYS A 19 -1.967 17.512 -1.868 1.00 1.00 H new ATOM 0 HA CYS A 19 -1.511 20.307 -2.109 1.00 1.00 H new ATOM 0 HB2 CYS A 19 0.193 17.969 -1.133 1.00 1.00 H new ATOM 0 HB3 CYS A 19 0.680 19.646 -0.985 1.00 1.00 H new ATOM 257 N ARG A 20 0.853 20.374 -3.378 1.00 1.00 N ATOM 258 CA ARG A 20 1.904 20.610 -4.368 1.00 1.00 C ATOM 259 C ARG A 20 3.311 20.546 -3.761 1.00 1.00 C ATOM 260 O ARG A 20 4.293 20.885 -4.415 1.00 1.00 O ATOM 261 CB ARG A 20 1.633 21.895 -5.152 1.00 1.00 C ATOM 262 CG ARG A 20 0.616 21.686 -6.295 1.00 1.00 C ATOM 263 CD ARG A 20 -0.665 22.518 -6.174 1.00 1.00 C ATOM 264 NE ARG A 20 -1.569 22.054 -5.102 1.00 1.00 N ATOM 265 CZ ARG A 20 -2.250 22.821 -4.238 1.00 1.00 C ATOM 266 NH1 ARG A 20 -2.053 24.138 -4.183 1.00 1.00 N ATOM 267 NH2 ARG A 20 -3.133 22.268 -3.417 1.00 1.00 N ATOM 0 H ARG A 20 0.958 20.961 -2.551 1.00 1.00 H new ATOM 0 HA ARG A 20 1.876 19.791 -5.087 1.00 1.00 H new ATOM 0 HB2 ARG A 20 1.258 22.660 -4.472 1.00 1.00 H new ATOM 0 HB3 ARG A 20 2.569 22.268 -5.567 1.00 1.00 H new ATOM 0 HG2 ARG A 20 1.100 21.925 -7.242 1.00 1.00 H new ATOM 0 HG3 ARG A 20 0.345 20.631 -6.333 1.00 1.00 H new ATOM 0 HD2 ARG A 20 -0.397 23.558 -5.988 1.00 1.00 H new ATOM 0 HD3 ARG A 20 -1.198 22.491 -7.125 1.00 1.00 H new ATOM 0 HE ARG A 20 -1.688 21.045 -5.009 1.00 1.00 H new ATOM 0 HH11 ARG A 20 -1.375 24.579 -4.805 1.00 1.00 H new ATOM 0 HH12 ARG A 20 -2.580 24.705 -3.519 1.00 1.00 H new ATOM 0 HH21 ARG A 20 -3.293 21.261 -3.443 1.00 1.00 H new ATOM 0 HH22 ARG A 20 -3.652 22.850 -2.759 1.00 1.00 H new ATOM 281 N GLY A 21 3.383 20.213 -2.478 1.00 1.00 N ATOM 282 CA GLY A 21 4.629 19.954 -1.770 1.00 1.00 C ATOM 283 C GLY A 21 4.864 18.469 -2.061 1.00 1.00 C ATOM 284 O GLY A 21 3.881 17.748 -2.235 1.00 1.00 O ATOM 0 H GLY A 21 2.557 20.113 -1.888 1.00 1.00 H new ATOM 0 HA2 GLY A 21 5.444 20.575 -2.140 1.00 1.00 H new ATOM 0 HA3 GLY A 21 4.539 20.150 -0.702 1.00 1.00 H new ATOM 288 N TRP A 22 6.104 17.979 -2.047 1.00 1.00 N ATOM 289 CA TRP A 22 6.408 16.617 -2.455 1.00 1.00 C ATOM 290 C TRP A 22 7.190 15.898 -1.363 1.00 1.00 C ATOM 291 O TRP A 22 8.339 16.224 -1.078 1.00 1.00 O ATOM 292 CB TRP A 22 7.113 16.663 -3.818 1.00 1.00 C ATOM 293 CG TRP A 22 6.358 17.390 -4.907 1.00 1.00 C ATOM 294 CD1 TRP A 22 6.886 18.363 -5.684 1.00 1.00 C ATOM 295 CD2 TRP A 22 4.949 17.291 -5.314 1.00 1.00 C ATOM 296 NE1 TRP A 22 5.919 18.870 -6.528 1.00 1.00 N ATOM 297 CE2 TRP A 22 4.700 18.255 -6.338 1.00 1.00 C ATOM 298 CE3 TRP A 22 3.835 16.522 -4.904 1.00 1.00 C ATOM 299 CZ2 TRP A 22 3.432 18.443 -6.915 1.00 1.00 C ATOM 300 CZ3 TRP A 22 2.561 16.694 -5.473 1.00 1.00 C ATOM 301 CH2 TRP A 22 2.358 17.647 -6.485 1.00 1.00 C ATOM 0 H TRP A 22 6.919 18.517 -1.753 1.00 1.00 H new ATOM 0 HA TRP A 22 5.500 16.028 -2.585 1.00 1.00 H new ATOM 0 HB2 TRP A 22 8.085 17.140 -3.691 1.00 1.00 H new ATOM 0 HB3 TRP A 22 7.300 15.641 -4.147 1.00 1.00 H new ATOM 0 HD1 TRP A 22 7.913 18.694 -5.649 1.00 1.00 H new ATOM 0 HE1 TRP A 22 6.086 19.610 -7.210 1.00 1.00 H new ATOM 0 HE3 TRP A 22 3.967 15.780 -4.130 1.00 1.00 H new ATOM 0 HZ2 TRP A 22 3.286 19.191 -7.680 1.00 1.00 H new ATOM 0 HZ3 TRP A 22 1.734 16.090 -5.130 1.00 1.00 H new ATOM 0 HH2 TRP A 22 1.381 17.767 -6.930 1.00 1.00 H new ATOM 312 N GLU A 23 6.510 14.939 -0.752 1.00 1.00 N ATOM 313 CA GLU A 23 6.872 14.115 0.390 1.00 1.00 C ATOM 314 C GLU A 23 6.901 12.649 -0.098 1.00 1.00 C ATOM 315 O GLU A 23 5.874 12.157 -0.573 1.00 1.00 O ATOM 316 CB GLU A 23 5.799 14.371 1.472 1.00 1.00 C ATOM 317 CG GLU A 23 5.778 13.408 2.664 1.00 1.00 C ATOM 318 CD GLU A 23 6.958 13.505 3.632 1.00 1.00 C ATOM 319 OE1 GLU A 23 8.059 13.892 3.204 1.00 1.00 O ATOM 320 OE2 GLU A 23 6.765 13.040 4.783 1.00 1.00 O ATOM 0 H GLU A 23 5.579 14.691 -1.087 1.00 1.00 H new ATOM 0 HA GLU A 23 7.850 14.344 0.814 1.00 1.00 H new ATOM 0 HB2 GLU A 23 5.936 15.382 1.854 1.00 1.00 H new ATOM 0 HB3 GLU A 23 4.820 14.341 0.994 1.00 1.00 H new ATOM 0 HG2 GLU A 23 4.859 13.578 3.226 1.00 1.00 H new ATOM 0 HG3 GLU A 23 5.733 12.389 2.280 1.00 1.00 H new ATOM 327 N PRO A 24 8.036 11.927 -0.063 1.00 1.00 N ATOM 328 CA PRO A 24 8.121 10.546 -0.537 1.00 1.00 C ATOM 329 C PRO A 24 7.366 9.584 0.385 1.00 1.00 C ATOM 330 O PRO A 24 7.472 9.617 1.615 1.00 1.00 O ATOM 331 CB PRO A 24 9.618 10.226 -0.587 1.00 1.00 C ATOM 332 CG PRO A 24 10.215 11.132 0.488 1.00 1.00 C ATOM 333 CD PRO A 24 9.332 12.375 0.425 1.00 1.00 C ATOM 0 HA PRO A 24 7.654 10.429 -1.515 1.00 1.00 H new ATOM 0 HB2 PRO A 24 9.810 9.174 -0.377 1.00 1.00 H new ATOM 0 HB3 PRO A 24 10.041 10.437 -1.569 1.00 1.00 H new ATOM 0 HG2 PRO A 24 10.183 10.665 1.472 1.00 1.00 H new ATOM 0 HG3 PRO A 24 11.259 11.368 0.281 1.00 1.00 H new ATOM 0 HD2 PRO A 24 9.240 12.837 1.408 1.00 1.00 H new ATOM 0 HD3 PRO A 24 9.761 13.124 -0.240 1.00 1.00 H new ATOM 341 N ARG A 25 6.619 8.673 -0.229 1.00 1.00 N ATOM 342 CA ARG A 25 5.916 7.574 0.427 1.00 1.00 C ATOM 343 C ARG A 25 6.126 6.314 -0.394 1.00 1.00 C ATOM 344 O ARG A 25 6.815 6.346 -1.409 1.00 1.00 O ATOM 345 CB ARG A 25 4.425 7.916 0.598 1.00 1.00 C ATOM 346 CG ARG A 25 4.185 8.964 1.684 1.00 1.00 C ATOM 347 CD ARG A 25 4.496 8.450 3.092 1.00 1.00 C ATOM 348 NE ARG A 25 4.219 9.484 4.099 1.00 1.00 N ATOM 349 CZ ARG A 25 5.093 10.414 4.514 1.00 1.00 C ATOM 350 NH1 ARG A 25 6.351 10.436 4.084 1.00 1.00 N ATOM 351 NH2 ARG A 25 4.712 11.357 5.367 1.00 1.00 N ATOM 0 H ARG A 25 6.480 8.680 -1.240 1.00 1.00 H new ATOM 0 HA ARG A 25 6.314 7.409 1.428 1.00 1.00 H new ATOM 0 HB2 ARG A 25 4.029 8.282 -0.349 1.00 1.00 H new ATOM 0 HB3 ARG A 25 3.874 7.009 0.845 1.00 1.00 H new ATOM 0 HG2 ARG A 25 4.801 9.839 1.479 1.00 1.00 H new ATOM 0 HG3 ARG A 25 3.145 9.289 1.644 1.00 1.00 H new ATOM 0 HD2 ARG A 25 3.897 7.563 3.301 1.00 1.00 H new ATOM 0 HD3 ARG A 25 5.542 8.149 3.151 1.00 1.00 H new ATOM 0 HE ARG A 25 3.288 9.496 4.516 1.00 1.00 H new ATOM 0 HH11 ARG A 25 6.675 9.733 3.420 1.00 1.00 H new ATOM 0 HH12 ARG A 25 6.992 11.156 4.418 1.00 1.00 H new ATOM 0 HH21 ARG A 25 3.752 11.377 5.710 1.00 1.00 H new ATOM 0 HH22 ARG A 25 5.380 12.062 5.680 1.00 1.00 H new ATOM 365 N TRP A 26 5.554 5.204 0.048 1.00 1.00 N ATOM 366 CA TRP A 26 5.595 3.908 -0.606 1.00 1.00 C ATOM 367 C TRP A 26 4.154 3.487 -0.878 1.00 1.00 C ATOM 368 O TRP A 26 3.298 3.747 -0.038 1.00 1.00 O ATOM 369 CB TRP A 26 6.295 2.928 0.348 1.00 1.00 C ATOM 370 CG TRP A 26 7.776 3.082 0.480 1.00 1.00 C ATOM 371 CD1 TRP A 26 8.431 3.959 1.273 1.00 1.00 C ATOM 372 CD2 TRP A 26 8.802 2.337 -0.224 1.00 1.00 C ATOM 373 NE1 TRP A 26 9.794 3.815 1.090 1.00 1.00 N ATOM 374 CE2 TRP A 26 10.078 2.853 0.140 1.00 1.00 C ATOM 375 CE3 TRP A 26 8.767 1.276 -1.145 1.00 1.00 C ATOM 376 CZ2 TRP A 26 11.264 2.353 -0.422 1.00 1.00 C ATOM 377 CZ3 TRP A 26 9.928 0.863 -1.810 1.00 1.00 C ATOM 378 CH2 TRP A 26 11.180 1.362 -1.418 1.00 1.00 C ATOM 0 H TRP A 26 5.022 5.184 0.918 1.00 1.00 H new ATOM 0 HA TRP A 26 6.141 3.931 -1.549 1.00 1.00 H new ATOM 0 HB2 TRP A 26 5.850 3.035 1.337 1.00 1.00 H new ATOM 0 HB3 TRP A 26 6.084 1.913 0.012 1.00 1.00 H new ATOM 0 HD1 TRP A 26 7.963 4.663 1.945 1.00 1.00 H new ATOM 0 HE1 TRP A 26 10.501 4.351 1.593 1.00 1.00 H new ATOM 0 HE3 TRP A 26 7.832 0.772 -1.342 1.00 1.00 H new ATOM 0 HZ2 TRP A 26 12.225 2.723 -0.095 1.00 1.00 H new ATOM 0 HZ3 TRP A 26 9.860 0.159 -2.626 1.00 1.00 H new ATOM 0 HH2 TRP A 26 12.080 0.985 -1.881 1.00 1.00 H new ATOM 389 N ALA A 27 3.852 2.888 -2.031 1.00 1.00 N ATOM 390 CA ALA A 27 2.523 2.334 -2.297 1.00 1.00 C ATOM 391 C ALA A 27 2.658 1.087 -3.149 1.00 1.00 C ATOM 392 O ALA A 27 3.577 0.979 -3.974 1.00 1.00 O ATOM 393 CB ALA A 27 1.584 3.319 -3.001 1.00 1.00 C ATOM 0 H ALA A 27 4.513 2.774 -2.799 1.00 1.00 H new ATOM 0 HA ALA A 27 2.080 2.105 -1.328 1.00 1.00 H new ATOM 0 HB1 ALA A 27 0.617 2.844 -3.168 1.00 1.00 H new ATOM 0 HB2 ALA A 27 1.451 4.204 -2.378 1.00 1.00 H new ATOM 0 HB3 ALA A 27 2.015 3.611 -3.959 1.00 1.00 H new ATOM 399 N TYR A 28 1.723 0.161 -2.954 1.00 1.00 N ATOM 400 CA TYR A 28 1.619 -1.036 -3.759 1.00 1.00 C ATOM 401 C TYR A 28 1.007 -0.668 -5.101 1.00 1.00 C ATOM 402 O TYR A 28 0.120 0.182 -5.188 1.00 1.00 O ATOM 403 CB TYR A 28 0.768 -2.094 -3.055 1.00 1.00 C ATOM 404 CG TYR A 28 0.548 -3.314 -3.927 1.00 1.00 C ATOM 405 CD1 TYR A 28 1.554 -4.289 -4.083 1.00 1.00 C ATOM 406 CD2 TYR A 28 -0.659 -3.438 -4.633 1.00 1.00 C ATOM 407 CE1 TYR A 28 1.334 -5.406 -4.916 1.00 1.00 C ATOM 408 CE2 TYR A 28 -0.884 -4.548 -5.458 1.00 1.00 C ATOM 409 CZ TYR A 28 0.103 -5.543 -5.600 1.00 1.00 C ATOM 410 OH TYR A 28 -0.154 -6.605 -6.411 1.00 1.00 O ATOM 0 H TYR A 28 1.013 0.228 -2.224 1.00 1.00 H new ATOM 0 HA TYR A 28 2.612 -1.459 -3.909 1.00 1.00 H new ATOM 0 HB2 TYR A 28 1.256 -2.394 -2.127 1.00 1.00 H new ATOM 0 HB3 TYR A 28 -0.196 -1.663 -2.784 1.00 1.00 H new ATOM 0 HD1 TYR A 28 2.495 -4.181 -3.564 1.00 1.00 H new ATOM 0 HD2 TYR A 28 -1.417 -2.675 -4.540 1.00 1.00 H new ATOM 0 HE1 TYR A 28 2.104 -6.155 -5.031 1.00 1.00 H new ATOM 0 HE2 TYR A 28 -1.820 -4.641 -5.988 1.00 1.00 H new ATOM 0 HH TYR A 28 0.432 -7.352 -6.167 1.00 1.00 H new ATOM 420 N SER A 29 1.556 -1.213 -6.177 1.00 1.00 N ATOM 421 CA SER A 29 1.032 -1.086 -7.519 1.00 1.00 C ATOM 422 C SER A 29 0.635 -2.463 -8.039 1.00 1.00 C ATOM 423 O SER A 29 1.553 -3.241 -8.298 1.00 1.00 O ATOM 424 CB SER A 29 2.123 -0.395 -8.323 1.00 1.00 C ATOM 425 OG SER A 29 2.025 0.969 -7.957 1.00 1.00 O ATOM 0 H SER A 29 2.407 -1.774 -6.133 1.00 1.00 H new ATOM 0 HA SER A 29 0.122 -0.490 -7.584 1.00 1.00 H new ATOM 0 HB2 SER A 29 3.107 -0.800 -8.086 1.00 1.00 H new ATOM 0 HB3 SER A 29 1.972 -0.530 -9.394 1.00 1.00 H new ATOM 0 HG SER A 29 2.760 1.471 -8.367 1.00 1.00 H new ATOM 431 N PRO A 30 -0.657 -2.756 -8.283 1.00 1.00 N ATOM 432 CA PRO A 30 -1.056 -4.014 -8.906 1.00 1.00 C ATOM 433 C PRO A 30 -0.562 -4.078 -10.354 1.00 1.00 C ATOM 434 O PRO A 30 -0.173 -5.139 -10.824 1.00 1.00 O ATOM 435 CB PRO A 30 -2.585 -4.074 -8.818 1.00 1.00 C ATOM 436 CG PRO A 30 -3.011 -2.617 -8.646 1.00 1.00 C ATOM 437 CD PRO A 30 -1.832 -1.972 -7.919 1.00 1.00 C ATOM 0 HA PRO A 30 -0.615 -4.872 -8.399 1.00 1.00 H new ATOM 0 HB2 PRO A 30 -3.018 -4.512 -9.717 1.00 1.00 H new ATOM 0 HB3 PRO A 30 -2.911 -4.686 -7.977 1.00 1.00 H new ATOM 0 HG2 PRO A 30 -3.197 -2.139 -9.608 1.00 1.00 H new ATOM 0 HG3 PRO A 30 -3.931 -2.535 -8.066 1.00 1.00 H new ATOM 0 HD2 PRO A 30 -1.713 -0.930 -8.216 1.00 1.00 H new ATOM 0 HD3 PRO A 30 -1.987 -1.980 -6.840 1.00 1.00 H new ATOM 445 N LEU A 31 -0.485 -2.930 -11.039 1.00 1.00 N ATOM 446 CA LEU A 31 0.071 -2.810 -12.389 1.00 1.00 C ATOM 447 C LEU A 31 1.570 -3.130 -12.452 1.00 1.00 C ATOM 448 O LEU A 31 2.111 -3.285 -13.540 1.00 1.00 O ATOM 449 CB LEU A 31 -0.213 -1.410 -12.942 1.00 1.00 C ATOM 450 CG LEU A 31 -1.663 -1.293 -13.448 1.00 1.00 C ATOM 451 CD1 LEU A 31 -2.001 0.183 -13.621 1.00 1.00 C ATOM 452 CD2 LEU A 31 -1.894 -2.013 -14.785 1.00 1.00 C ATOM 0 H LEU A 31 -0.815 -2.042 -10.661 1.00 1.00 H new ATOM 0 HA LEU A 31 -0.423 -3.557 -13.011 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -0.035 -0.667 -12.165 1.00 1.00 H new ATOM 0 HB3 LEU A 31 0.478 -1.191 -13.756 1.00 1.00 H new ATOM 0 HG LEU A 31 -2.305 -1.771 -12.708 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -3.026 0.282 -13.979 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -1.900 0.694 -12.663 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -1.319 0.630 -14.344 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -2.934 -1.894 -15.088 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -1.243 -1.584 -15.547 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -1.669 -3.073 -14.671 1.00 1.00 H new ATOM 464 N LEU A 32 2.249 -3.207 -11.304 1.00 1.00 N ATOM 465 CA LEU A 32 3.644 -3.622 -11.156 1.00 1.00 C ATOM 466 C LEU A 32 3.742 -4.891 -10.293 1.00 1.00 C ATOM 467 O LEU A 32 4.830 -5.416 -10.084 1.00 1.00 O ATOM 468 CB LEU A 32 4.411 -2.457 -10.514 1.00 1.00 C ATOM 469 CG LEU A 32 4.747 -1.331 -11.511 1.00 1.00 C ATOM 470 CD1 LEU A 32 5.139 -0.058 -10.752 1.00 1.00 C ATOM 471 CD2 LEU A 32 5.892 -1.722 -12.453 1.00 1.00 C ATOM 0 H LEU A 32 1.819 -2.970 -10.410 1.00 1.00 H new ATOM 0 HA LEU A 32 4.076 -3.862 -12.128 1.00 1.00 H new ATOM 0 HB2 LEU A 32 3.818 -2.046 -9.697 1.00 1.00 H new ATOM 0 HB3 LEU A 32 5.335 -2.835 -10.078 1.00 1.00 H new ATOM 0 HG LEU A 32 3.855 -1.154 -12.111 1.00 1.00 H new ATOM 0 HD11 LEU A 32 5.375 0.732 -11.465 1.00 1.00 H new ATOM 0 HD12 LEU A 32 4.309 0.259 -10.120 1.00 1.00 H new ATOM 0 HD13 LEU A 32 6.012 -0.259 -10.131 1.00 1.00 H new ATOM 0 HD21 LEU A 32 6.096 -0.900 -13.139 1.00 1.00 H new ATOM 0 HD22 LEU A 32 6.787 -1.937 -11.869 1.00 1.00 H new ATOM 0 HD23 LEU A 32 5.609 -2.607 -13.022 1.00 1.00 H new ATOM 483 N GLN A 33 2.594 -5.338 -9.779 1.00 1.00 N ATOM 484 CA GLN A 33 2.300 -6.406 -8.835 1.00 1.00 C ATOM 485 C GLN A 33 3.259 -6.277 -7.632 1.00 1.00 C ATOM 486 O GLN A 33 3.656 -7.280 -7.045 1.00 1.00 O ATOM 487 CB GLN A 33 2.305 -7.759 -9.585 1.00 1.00 C ATOM 488 CG GLN A 33 1.531 -8.935 -8.946 1.00 1.00 C ATOM 489 CD GLN A 33 1.865 -9.335 -7.510 1.00 1.00 C ATOM 490 OE1 GLN A 33 1.212 -8.896 -6.567 1.00 1.00 O ATOM 491 NE2 GLN A 33 2.846 -10.200 -7.305 1.00 1.00 N ATOM 0 H GLN A 33 1.724 -4.887 -10.063 1.00 1.00 H new ATOM 0 HA GLN A 33 1.300 -6.337 -8.406 1.00 1.00 H new ATOM 0 HB2 GLN A 33 1.898 -7.592 -10.582 1.00 1.00 H new ATOM 0 HB3 GLN A 33 3.342 -8.069 -9.712 1.00 1.00 H new ATOM 0 HG2 GLN A 33 0.469 -8.692 -8.984 1.00 1.00 H new ATOM 0 HG3 GLN A 33 1.680 -9.811 -9.577 1.00 1.00 H new ATOM 0 HE21 GLN A 33 3.383 -10.559 -8.095 1.00 1.00 H new ATOM 0 HE22 GLN A 33 3.065 -10.507 -6.357 1.00 1.00 H new ATOM 500 N GLN A 34 3.703 -5.063 -7.262 1.00 1.00 N ATOM 501 CA GLN A 34 4.700 -4.934 -6.195 1.00 1.00 C ATOM 502 C GLN A 34 4.698 -3.452 -5.768 1.00 1.00 C ATOM 503 O GLN A 34 4.100 -2.592 -6.426 1.00 1.00 O ATOM 504 CB GLN A 34 6.069 -5.419 -6.751 1.00 1.00 C ATOM 505 CG GLN A 34 7.151 -5.887 -5.758 1.00 1.00 C ATOM 506 CD GLN A 34 7.886 -4.816 -4.978 1.00 1.00 C ATOM 507 OE1 GLN A 34 8.768 -4.134 -5.488 1.00 1.00 O ATOM 508 NE2 GLN A 34 7.595 -4.666 -3.699 1.00 1.00 N ATOM 0 H GLN A 34 3.396 -4.182 -7.675 1.00 1.00 H new ATOM 0 HA GLN A 34 4.484 -5.543 -5.317 1.00 1.00 H new ATOM 0 HB2 GLN A 34 5.873 -6.243 -7.438 1.00 1.00 H new ATOM 0 HB3 GLN A 34 6.492 -4.606 -7.341 1.00 1.00 H new ATOM 0 HG2 GLN A 34 6.683 -6.564 -5.043 1.00 1.00 H new ATOM 0 HG3 GLN A 34 7.889 -6.468 -6.312 1.00 1.00 H new ATOM 0 HE21 GLN A 34 6.862 -5.233 -3.273 1.00 1.00 H new ATOM 0 HE22 GLN A 34 8.104 -3.984 -3.137 1.00 1.00 H new ATOM 517 N CYS A 35 5.351 -3.127 -4.655 1.00 1.00 N ATOM 518 CA CYS A 35 5.443 -1.777 -4.116 1.00 1.00 C ATOM 519 C CYS A 35 6.608 -0.983 -4.667 1.00 1.00 C ATOM 520 O CYS A 35 7.699 -1.494 -4.903 1.00 1.00 O ATOM 521 CB CYS A 35 5.633 -1.801 -2.605 1.00 1.00 C ATOM 522 SG CYS A 35 4.126 -2.055 -1.673 1.00 1.00 S ATOM 0 H CYS A 35 5.844 -3.817 -4.089 1.00 1.00 H new ATOM 0 HA CYS A 35 4.505 -1.305 -4.407 1.00 1.00 H new ATOM 0 HB2 CYS A 35 6.339 -2.592 -2.353 1.00 1.00 H new ATOM 0 HB3 CYS A 35 6.084 -0.859 -2.293 1.00 1.00 H new ATOM 527 N HIS A 36 6.410 0.329 -4.714 1.00 1.00 N ATOM 528 CA HIS A 36 7.464 1.271 -5.093 1.00 1.00 C ATOM 529 C HIS A 36 7.301 2.620 -4.381 1.00 1.00 C ATOM 530 O HIS A 36 6.187 2.933 -3.952 1.00 1.00 O ATOM 531 CB HIS A 36 7.474 1.431 -6.628 1.00 1.00 C ATOM 532 CG HIS A 36 6.244 2.099 -7.202 1.00 1.00 C ATOM 533 ND1 HIS A 36 6.043 3.467 -7.287 1.00 1.00 N ATOM 534 CD2 HIS A 36 5.122 1.480 -7.683 1.00 1.00 C ATOM 535 CE1 HIS A 36 4.815 3.680 -7.789 1.00 1.00 C ATOM 536 NE2 HIS A 36 4.254 2.488 -8.053 1.00 1.00 N ATOM 0 H HIS A 36 5.518 0.772 -4.492 1.00 1.00 H new ATOM 0 HA HIS A 36 8.427 0.872 -4.774 1.00 1.00 H new ATOM 0 HB2 HIS A 36 8.352 2.010 -6.914 1.00 1.00 H new ATOM 0 HB3 HIS A 36 7.581 0.446 -7.082 1.00 1.00 H new ATOM 0 HD1 HIS A 36 6.712 4.188 -7.015 1.00 1.00 H new ATOM 0 HD2 HIS A 36 4.950 0.416 -7.758 1.00 1.00 H new ATOM 0 HE1 HIS A 36 4.357 4.644 -7.952 1.00 1.00 H new ATOM 545 N PRO A 37 8.374 3.426 -4.249 1.00 1.00 N ATOM 546 CA PRO A 37 8.271 4.779 -3.711 1.00 1.00 C ATOM 547 C PRO A 37 7.402 5.642 -4.632 1.00 1.00 C ATOM 548 O PRO A 37 7.324 5.349 -5.830 1.00 1.00 O ATOM 549 CB PRO A 37 9.696 5.343 -3.666 1.00 1.00 C ATOM 550 CG PRO A 37 10.582 4.105 -3.702 1.00 1.00 C ATOM 551 CD PRO A 37 9.767 3.101 -4.517 1.00 1.00 C ATOM 0 HA PRO A 37 7.815 4.775 -2.721 1.00 1.00 H new ATOM 0 HB2 PRO A 37 9.893 6.000 -4.514 1.00 1.00 H new ATOM 0 HB3 PRO A 37 9.865 5.929 -2.763 1.00 1.00 H new ATOM 0 HG2 PRO A 37 11.544 4.314 -4.170 1.00 1.00 H new ATOM 0 HG3 PRO A 37 10.790 3.732 -2.699 1.00 1.00 H new ATOM 0 HD2 PRO A 37 9.992 3.183 -5.580 1.00 1.00 H new ATOM 0 HD3 PRO A 37 9.996 2.077 -4.221 1.00 1.00 H new ATOM 559 N PHE A 38 6.798 6.724 -4.145 1.00 1.00 N ATOM 560 CA PHE A 38 6.034 7.639 -4.977 1.00 1.00 C ATOM 561 C PHE A 38 6.007 9.009 -4.312 1.00 1.00 C ATOM 562 O PHE A 38 6.374 9.149 -3.144 1.00 1.00 O ATOM 563 CB PHE A 38 4.618 7.095 -5.248 1.00 1.00 C ATOM 564 CG PHE A 38 3.607 7.246 -4.125 1.00 1.00 C ATOM 565 CD1 PHE A 38 3.636 6.391 -3.008 1.00 1.00 C ATOM 566 CD2 PHE A 38 2.600 8.224 -4.222 1.00 1.00 C ATOM 567 CE1 PHE A 38 2.654 6.511 -2.005 1.00 1.00 C ATOM 568 CE2 PHE A 38 1.623 8.339 -3.221 1.00 1.00 C ATOM 569 CZ PHE A 38 1.643 7.479 -2.112 1.00 1.00 C ATOM 0 H PHE A 38 6.827 6.988 -3.160 1.00 1.00 H new ATOM 0 HA PHE A 38 6.514 7.736 -5.951 1.00 1.00 H new ATOM 0 HB2 PHE A 38 4.223 7.596 -6.132 1.00 1.00 H new ATOM 0 HB3 PHE A 38 4.701 6.036 -5.492 1.00 1.00 H new ATOM 0 HD1 PHE A 38 4.410 5.643 -2.920 1.00 1.00 H new ATOM 0 HD2 PHE A 38 2.579 8.890 -5.072 1.00 1.00 H new ATOM 0 HE1 PHE A 38 2.679 5.854 -1.148 1.00 1.00 H new ATOM 0 HE2 PHE A 38 0.853 9.092 -3.304 1.00 1.00 H new ATOM 0 HZ PHE A 38 0.886 7.561 -1.346 1.00 1.00 H new ATOM 579 N VAL A 39 5.588 10.009 -5.079 1.00 1.00 N ATOM 580 CA VAL A 39 5.478 11.386 -4.642 1.00 1.00 C ATOM 581 C VAL A 39 4.075 11.571 -4.068 1.00 1.00 C ATOM 582 O VAL A 39 3.084 11.440 -4.788 1.00 1.00 O ATOM 583 CB VAL A 39 5.785 12.309 -5.838 1.00 1.00 C ATOM 584 CG1 VAL A 39 5.431 13.765 -5.540 1.00 1.00 C ATOM 585 CG2 VAL A 39 7.275 12.220 -6.213 1.00 1.00 C ATOM 0 H VAL A 39 5.308 9.874 -6.051 1.00 1.00 H new ATOM 0 HA VAL A 39 6.194 11.643 -3.861 1.00 1.00 H new ATOM 0 HB VAL A 39 5.170 11.969 -6.671 1.00 1.00 H new ATOM 0 HG11 VAL A 39 5.663 14.381 -6.409 1.00 1.00 H new ATOM 0 HG12 VAL A 39 4.367 13.842 -5.314 1.00 1.00 H new ATOM 0 HG13 VAL A 39 6.010 14.112 -4.684 1.00 1.00 H new ATOM 0 HG21 VAL A 39 7.477 12.877 -7.059 1.00 1.00 H new ATOM 0 HG22 VAL A 39 7.883 12.527 -5.362 1.00 1.00 H new ATOM 0 HG23 VAL A 39 7.521 11.193 -6.484 1.00 1.00 H new ATOM 595 N TYR A 40 4.006 11.842 -2.775 1.00 1.00 N ATOM 596 CA TYR A 40 2.830 12.187 -1.994 1.00 1.00 C ATOM 597 C TYR A 40 2.984 13.652 -1.559 1.00 1.00 C ATOM 598 O TYR A 40 4.016 14.261 -1.842 1.00 1.00 O ATOM 599 CB TYR A 40 2.728 11.142 -0.873 1.00 1.00 C ATOM 600 CG TYR A 40 1.930 11.507 0.356 1.00 1.00 C ATOM 601 CD1 TYR A 40 0.525 11.505 0.358 1.00 1.00 C ATOM 602 CD2 TYR A 40 2.633 11.821 1.532 1.00 1.00 C ATOM 603 CE1 TYR A 40 -0.170 11.798 1.545 1.00 1.00 C ATOM 604 CE2 TYR A 40 1.948 12.038 2.733 1.00 1.00 C ATOM 605 CZ TYR A 40 0.537 12.030 2.744 1.00 1.00 C ATOM 606 OH TYR A 40 -0.121 12.264 3.903 1.00 1.00 O ATOM 0 H TYR A 40 4.845 11.825 -2.195 1.00 1.00 H new ATOM 0 HA TYR A 40 1.881 12.146 -2.529 1.00 1.00 H new ATOM 0 HB2 TYR A 40 2.295 10.236 -1.297 1.00 1.00 H new ATOM 0 HB3 TYR A 40 3.740 10.892 -0.554 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -0.019 11.280 -0.548 1.00 1.00 H new ATOM 0 HD2 TYR A 40 3.710 11.895 1.509 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -1.249 11.846 1.539 1.00 1.00 H new ATOM 0 HE2 TYR A 40 2.497 12.211 3.647 1.00 1.00 H new ATOM 0 HH TYR A 40 -0.976 12.704 3.711 1.00 1.00 H new ATOM 616 N GLY A 41 1.975 14.241 -0.914 1.00 1.00 N ATOM 617 CA GLY A 41 1.967 15.661 -0.580 1.00 1.00 C ATOM 618 C GLY A 41 1.748 16.022 0.886 1.00 1.00 C ATOM 619 O GLY A 41 1.562 17.199 1.179 1.00 1.00 O ATOM 0 H GLY A 41 1.139 13.742 -0.609 1.00 1.00 H new ATOM 0 HA2 GLY A 41 2.918 16.090 -0.897 1.00 1.00 H new ATOM 0 HA3 GLY A 41 1.187 16.144 -1.169 1.00 1.00 H new ATOM 623 N GLY A 42 1.750 15.061 1.812 1.00 1.00 N ATOM 624 CA GLY A 42 1.670 15.310 3.257 1.00 1.00 C ATOM 625 C GLY A 42 0.246 15.501 3.777 1.00 1.00 C ATOM 626 O GLY A 42 -0.038 15.138 4.915 1.00 1.00 O ATOM 0 H GLY A 42 1.808 14.070 1.577 1.00 1.00 H new ATOM 0 HA2 GLY A 42 2.130 14.475 3.785 1.00 1.00 H new ATOM 0 HA3 GLY A 42 2.255 16.198 3.495 1.00 1.00 H new ATOM 630 N CYS A 43 -0.634 16.070 2.959 1.00 1.00 N ATOM 631 CA CYS A 43 -2.063 16.222 3.204 1.00 1.00 C ATOM 632 C CYS A 43 -2.770 14.872 3.007 1.00 1.00 C ATOM 633 O CYS A 43 -2.120 13.830 2.898 1.00 1.00 O ATOM 634 CB CYS A 43 -2.625 17.340 2.320 1.00 1.00 C ATOM 635 SG CYS A 43 -2.073 17.343 0.606 1.00 1.00 S ATOM 0 H CYS A 43 -0.353 16.458 2.059 1.00 1.00 H new ATOM 0 HA CYS A 43 -2.244 16.521 4.236 1.00 1.00 H new ATOM 0 HB2 CYS A 43 -3.713 17.272 2.331 1.00 1.00 H new ATOM 0 HB3 CYS A 43 -2.361 18.298 2.768 1.00 1.00 H new ATOM 640 N GLU A 44 -4.101 14.898 3.059 1.00 1.00 N ATOM 641 CA GLU A 44 -5.038 13.783 2.947 1.00 1.00 C ATOM 642 C GLU A 44 -4.540 12.695 1.988 1.00 1.00 C ATOM 643 O GLU A 44 -4.132 12.972 0.857 1.00 1.00 O ATOM 644 CB GLU A 44 -6.401 14.280 2.441 1.00 1.00 C ATOM 645 CG GLU A 44 -7.022 15.384 3.306 1.00 1.00 C ATOM 646 CD GLU A 44 -6.438 16.762 2.973 1.00 1.00 C ATOM 647 OE1 GLU A 44 -6.751 17.302 1.890 1.00 1.00 O ATOM 648 OE2 GLU A 44 -5.569 17.209 3.755 1.00 1.00 O ATOM 0 H GLU A 44 -4.595 15.781 3.193 1.00 1.00 H new ATOM 0 HA GLU A 44 -5.128 13.354 3.945 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -6.286 14.652 1.423 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -7.090 13.437 2.396 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -8.101 15.400 3.155 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -6.850 15.161 4.359 1.00 1.00 H new ATOM 655 N GLY A 45 -4.637 11.437 2.410 1.00 1.00 N ATOM 656 CA GLY A 45 -4.326 10.283 1.594 1.00 1.00 C ATOM 657 C GLY A 45 -5.033 9.071 2.180 1.00 1.00 C ATOM 658 O GLY A 45 -5.442 9.087 3.342 1.00 1.00 O ATOM 0 H GLY A 45 -4.942 11.194 3.352 1.00 1.00 H new ATOM 0 HA2 GLY A 45 -4.648 10.449 0.566 1.00 1.00 H new ATOM 0 HA3 GLY A 45 -3.249 10.117 1.568 1.00 1.00 H new ATOM 662 N ASN A 46 -5.171 8.031 1.363 1.00 1.00 N ATOM 663 CA ASN A 46 -5.892 6.817 1.720 1.00 1.00 C ATOM 664 C ASN A 46 -4.910 5.781 2.272 1.00 1.00 C ATOM 665 O ASN A 46 -3.711 6.031 2.420 1.00 1.00 O ATOM 666 CB ASN A 46 -6.628 6.247 0.499 1.00 1.00 C ATOM 667 CG ASN A 46 -7.782 7.077 -0.043 1.00 1.00 C ATOM 668 OD1 ASN A 46 -7.713 8.295 -0.153 1.00 1.00 O ATOM 669 ND2 ASN A 46 -8.850 6.418 -0.458 1.00 1.00 N ATOM 0 H ASN A 46 -4.779 8.009 0.422 1.00 1.00 H new ATOM 0 HA ASN A 46 -6.631 7.058 2.484 1.00 1.00 H new ATOM 0 HB2 ASN A 46 -5.903 6.106 -0.302 1.00 1.00 H new ATOM 0 HB3 ASN A 46 -7.010 5.260 0.760 1.00 1.00 H new ATOM 0 HD21 ASN A 46 -9.631 6.924 -0.876 1.00 1.00 H new ATOM 0 HD22 ASN A 46 -8.893 5.404 -0.360 1.00 1.00 H new ATOM 676 N GLY A 47 -5.426 4.579 2.501 1.00 1.00 N ATOM 677 CA GLY A 47 -4.752 3.456 3.141 1.00 1.00 C ATOM 678 C GLY A 47 -3.497 2.960 2.426 1.00 1.00 C ATOM 679 O GLY A 47 -2.581 2.475 3.087 1.00 1.00 O ATOM 0 H GLY A 47 -6.382 4.349 2.229 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -4.482 3.745 4.157 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -5.456 2.628 3.222 1.00 1.00 H new ATOM 683 N ASN A 48 -3.427 3.059 1.095 1.00 1.00 N ATOM 684 CA ASN A 48 -2.243 2.670 0.330 1.00 1.00 C ATOM 685 C ASN A 48 -1.266 3.837 0.319 1.00 1.00 C ATOM 686 O ASN A 48 -0.992 4.455 -0.714 1.00 1.00 O ATOM 687 CB ASN A 48 -2.581 2.160 -1.079 1.00 1.00 C ATOM 688 CG ASN A 48 -1.359 1.557 -1.781 1.00 1.00 C ATOM 689 OD1 ASN A 48 -0.297 1.345 -1.202 1.00 1.00 O ATOM 690 ND2 ASN A 48 -1.481 1.238 -3.053 1.00 1.00 N ATOM 0 H ASN A 48 -4.191 3.412 0.519 1.00 1.00 H new ATOM 0 HA ASN A 48 -1.771 1.817 0.818 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -3.368 1.409 -1.013 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -2.974 2.982 -1.677 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -0.696 0.818 -3.551 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -2.360 1.411 -3.540 1.00 1.00 H new ATOM 697 N ASN A 49 -0.796 4.181 1.513 1.00 1.00 N ATOM 698 CA ASN A 49 0.235 5.165 1.732 1.00 1.00 C ATOM 699 C ASN A 49 1.081 4.556 2.833 1.00 1.00 C ATOM 700 O ASN A 49 0.673 4.494 3.997 1.00 1.00 O ATOM 701 CB ASN A 49 -0.420 6.482 2.170 1.00 1.00 C ATOM 702 CG ASN A 49 0.589 7.587 2.437 1.00 1.00 C ATOM 703 OD1 ASN A 49 1.373 7.542 3.387 1.00 1.00 O ATOM 704 ND2 ASN A 49 0.577 8.610 1.598 1.00 1.00 N ATOM 0 H ASN A 49 -1.140 3.763 2.378 1.00 1.00 H new ATOM 0 HA ASN A 49 0.833 5.397 0.851 1.00 1.00 H new ATOM 0 HB2 ASN A 49 -1.114 6.811 1.397 1.00 1.00 H new ATOM 0 HB3 ASN A 49 -1.007 6.307 3.072 1.00 1.00 H new ATOM 0 HD21 ASN A 49 1.227 9.385 1.730 1.00 1.00 H new ATOM 0 HD22 ASN A 49 -0.082 8.623 0.819 1.00 1.00 H new ATOM 711 N PHE A 50 2.310 4.201 2.485 1.00 1.00 N ATOM 712 CA PHE A 50 3.211 3.494 3.363 1.00 1.00 C ATOM 713 C PHE A 50 4.388 4.374 3.642 1.00 1.00 C ATOM 714 O PHE A 50 4.807 5.242 2.871 1.00 1.00 O ATOM 715 CB PHE A 50 3.580 2.102 2.847 1.00 1.00 C ATOM 716 CG PHE A 50 2.356 1.214 2.877 1.00 1.00 C ATOM 717 CD1 PHE A 50 1.871 0.767 4.119 1.00 1.00 C ATOM 718 CD2 PHE A 50 1.618 0.957 1.708 1.00 1.00 C ATOM 719 CE1 PHE A 50 0.656 0.071 4.200 1.00 1.00 C ATOM 720 CE2 PHE A 50 0.409 0.247 1.788 1.00 1.00 C ATOM 721 CZ PHE A 50 -0.084 -0.173 3.035 1.00 1.00 C ATOM 0 H PHE A 50 2.709 4.403 1.568 1.00 1.00 H new ATOM 0 HA PHE A 50 2.709 3.285 4.307 1.00 1.00 H new ATOM 0 HB2 PHE A 50 3.969 2.170 1.831 1.00 1.00 H new ATOM 0 HB3 PHE A 50 4.370 1.672 3.462 1.00 1.00 H new ATOM 0 HD1 PHE A 50 2.438 0.961 5.017 1.00 1.00 H new ATOM 0 HD2 PHE A 50 1.980 1.305 0.752 1.00 1.00 H new ATOM 0 HE1 PHE A 50 0.292 -0.275 5.156 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -0.144 0.023 0.888 1.00 1.00 H new ATOM 0 HZ PHE A 50 -1.034 -0.684 3.096 1.00 1.00 H new ATOM 731 N HIS A 51 4.907 4.109 4.819 1.00 1.00 N ATOM 732 CA HIS A 51 5.956 4.871 5.445 1.00 1.00 C ATOM 733 C HIS A 51 7.313 4.241 5.213 1.00 1.00 C ATOM 734 O HIS A 51 8.338 4.859 5.472 1.00 1.00 O ATOM 735 CB HIS A 51 5.558 4.940 6.918 1.00 1.00 C ATOM 736 CG HIS A 51 4.087 5.334 7.078 1.00 1.00 C ATOM 737 ND1 HIS A 51 3.093 4.502 7.577 1.00 1.00 N ATOM 738 CD2 HIS A 51 3.465 6.299 6.320 1.00 1.00 C ATOM 739 CE1 HIS A 51 1.909 4.931 7.088 1.00 1.00 C ATOM 740 NE2 HIS A 51 2.110 6.020 6.319 1.00 1.00 N ATOM 0 H HIS A 51 4.594 3.322 5.388 1.00 1.00 H new ATOM 0 HA HIS A 51 6.059 5.872 5.026 1.00 1.00 H new ATOM 0 HB2 HIS A 51 5.731 3.973 7.390 1.00 1.00 H new ATOM 0 HB3 HIS A 51 6.189 5.664 7.434 1.00 1.00 H new ATOM 0 HD2 HIS A 51 3.947 7.124 5.817 1.00 1.00 H new ATOM 0 HE1 HIS A 51 0.951 4.473 7.283 1.00 1.00 H new ATOM 0 HE2 HIS A 51 1.390 6.546 5.824 1.00 1.00 H new ATOM 749 N SER A 52 7.302 3.027 4.690 1.00 1.00 N ATOM 750 CA SER A 52 8.494 2.228 4.512 1.00 1.00 C ATOM 751 C SER A 52 8.271 1.184 3.429 1.00 1.00 C ATOM 752 O SER A 52 7.146 0.939 2.989 1.00 1.00 O ATOM 753 CB SER A 52 8.829 1.555 5.855 1.00 1.00 C ATOM 754 OG SER A 52 7.666 0.995 6.439 1.00 1.00 O ATOM 0 H SER A 52 6.450 2.565 4.373 1.00 1.00 H new ATOM 0 HA SER A 52 9.326 2.859 4.199 1.00 1.00 H new ATOM 0 HB2 SER A 52 9.576 0.776 5.701 1.00 1.00 H new ATOM 0 HB3 SER A 52 9.267 2.286 6.534 1.00 1.00 H new ATOM 0 HG SER A 52 7.914 0.487 7.239 1.00 1.00 H new ATOM 760 N ARG A 53 9.378 0.574 3.006 1.00 1.00 N ATOM 761 CA ARG A 53 9.368 -0.552 2.082 1.00 1.00 C ATOM 762 C ARG A 53 8.643 -1.695 2.786 1.00 1.00 C ATOM 763 O ARG A 53 7.709 -2.237 2.223 1.00 1.00 O ATOM 764 CB ARG A 53 10.801 -0.889 1.680 1.00 1.00 C ATOM 765 CG ARG A 53 10.916 -2.161 0.840 1.00 1.00 C ATOM 766 CD ARG A 53 10.180 -2.151 -0.503 1.00 1.00 C ATOM 767 NE ARG A 53 10.427 -3.410 -1.221 1.00 1.00 N ATOM 768 CZ ARG A 53 10.360 -3.683 -2.526 1.00 1.00 C ATOM 769 NH1 ARG A 53 10.069 -2.740 -3.419 1.00 1.00 N ATOM 770 NH2 ARG A 53 10.522 -4.933 -2.923 1.00 1.00 N ATOM 0 H ARG A 53 10.314 0.853 3.300 1.00 1.00 H new ATOM 0 HA ARG A 53 8.842 -0.332 1.153 1.00 1.00 H new ATOM 0 HB2 ARG A 53 11.218 -0.053 1.118 1.00 1.00 H new ATOM 0 HB3 ARG A 53 11.405 -1.002 2.580 1.00 1.00 H new ATOM 0 HG2 ARG A 53 11.972 -2.353 0.651 1.00 1.00 H new ATOM 0 HG3 ARG A 53 10.541 -2.997 1.430 1.00 1.00 H new ATOM 0 HD2 ARG A 53 9.110 -2.020 -0.340 1.00 1.00 H new ATOM 0 HD3 ARG A 53 10.517 -1.307 -1.105 1.00 1.00 H new ATOM 0 HE ARG A 53 10.691 -4.198 -0.630 1.00 1.00 H new ATOM 0 HH11 ARG A 53 9.891 -1.784 -3.111 1.00 1.00 H new ATOM 0 HH12 ARG A 53 10.024 -2.973 -4.411 1.00 1.00 H new ATOM 0 HH21 ARG A 53 10.694 -5.668 -2.237 1.00 1.00 H new ATOM 0 HH22 ARG A 53 10.475 -5.163 -3.916 1.00 1.00 H new ATOM 784 N GLU A 54 9.063 -1.980 4.019 1.00 1.00 N ATOM 785 CA GLU A 54 8.513 -2.919 4.989 1.00 1.00 C ATOM 786 C GLU A 54 6.989 -2.934 5.009 1.00 1.00 C ATOM 787 O GLU A 54 6.388 -3.909 4.569 1.00 1.00 O ATOM 788 CB GLU A 54 9.150 -2.495 6.328 1.00 1.00 C ATOM 789 CG GLU A 54 8.495 -2.884 7.668 1.00 1.00 C ATOM 790 CD GLU A 54 7.709 -1.697 8.248 1.00 1.00 C ATOM 791 OE1 GLU A 54 8.279 -0.579 8.305 1.00 1.00 O ATOM 792 OE2 GLU A 54 6.498 -1.843 8.480 1.00 1.00 O ATOM 0 H GLU A 54 9.883 -1.507 4.399 1.00 1.00 H new ATOM 0 HA GLU A 54 8.751 -3.954 4.743 1.00 1.00 H new ATOM 0 HB2 GLU A 54 10.165 -2.891 6.340 1.00 1.00 H new ATOM 0 HB3 GLU A 54 9.232 -1.408 6.314 1.00 1.00 H new ATOM 0 HG2 GLU A 54 7.827 -3.733 7.520 1.00 1.00 H new ATOM 0 HG3 GLU A 54 9.261 -3.201 8.376 1.00 1.00 H new ATOM 799 N SER A 55 6.380 -1.831 5.436 1.00 1.00 N ATOM 800 CA SER A 55 4.923 -1.789 5.614 1.00 1.00 C ATOM 801 C SER A 55 4.178 -2.029 4.289 1.00 1.00 C ATOM 802 O SER A 55 3.122 -2.666 4.231 1.00 1.00 O ATOM 803 CB SER A 55 4.503 -0.482 6.315 1.00 1.00 C ATOM 804 OG SER A 55 5.068 0.709 5.768 1.00 1.00 O ATOM 0 H SER A 55 6.862 -0.961 5.664 1.00 1.00 H new ATOM 0 HA SER A 55 4.631 -2.611 6.268 1.00 1.00 H new ATOM 0 HB2 SER A 55 3.417 -0.401 6.277 1.00 1.00 H new ATOM 0 HB3 SER A 55 4.781 -0.547 7.367 1.00 1.00 H new ATOM 0 HG SER A 55 5.932 0.887 6.195 1.00 1.00 H new ATOM 810 N CYS A 56 4.759 -1.532 3.200 1.00 1.00 N ATOM 811 CA CYS A 56 4.184 -1.678 1.882 1.00 1.00 C ATOM 812 C CYS A 56 4.262 -3.129 1.428 1.00 1.00 C ATOM 813 O CYS A 56 3.292 -3.653 0.893 1.00 1.00 O ATOM 814 CB CYS A 56 4.966 -0.776 0.929 1.00 1.00 C ATOM 815 SG CYS A 56 4.060 -0.353 -0.567 1.00 1.00 S ATOM 0 H CYS A 56 5.640 -1.019 3.215 1.00 1.00 H new ATOM 0 HA CYS A 56 3.132 -1.392 1.893 1.00 1.00 H new ATOM 0 HB2 CYS A 56 5.238 0.141 1.451 1.00 1.00 H new ATOM 0 HB3 CYS A 56 5.896 -1.273 0.653 1.00 1.00 H new ATOM 820 N GLU A 57 5.420 -3.757 1.625 1.00 1.00 N ATOM 821 CA GLU A 57 5.628 -5.156 1.279 1.00 1.00 C ATOM 822 C GLU A 57 4.603 -6.003 2.017 1.00 1.00 C ATOM 823 O GLU A 57 4.016 -6.882 1.391 1.00 1.00 O ATOM 824 CB GLU A 57 7.060 -5.608 1.543 1.00 1.00 C ATOM 825 CG GLU A 57 7.975 -4.921 0.526 1.00 1.00 C ATOM 826 CD GLU A 57 8.583 -5.850 -0.524 1.00 1.00 C ATOM 827 OE1 GLU A 57 7.874 -6.182 -1.498 1.00 1.00 O ATOM 828 OE2 GLU A 57 9.828 -6.000 -0.516 1.00 1.00 O ATOM 0 H GLU A 57 6.240 -3.306 2.030 1.00 1.00 H new ATOM 0 HA GLU A 57 5.482 -5.285 0.207 1.00 1.00 H new ATOM 0 HB2 GLU A 57 7.359 -5.349 2.559 1.00 1.00 H new ATOM 0 HB3 GLU A 57 7.139 -6.691 1.454 1.00 1.00 H new ATOM 0 HG2 GLU A 57 7.407 -4.143 0.016 1.00 1.00 H new ATOM 0 HG3 GLU A 57 8.784 -4.426 1.063 1.00 1.00 H new ATOM 835 N ASP A 58 4.349 -5.712 3.306 1.00 1.00 N ATOM 836 CA ASP A 58 3.280 -6.392 4.033 1.00 1.00 C ATOM 837 C ASP A 58 1.971 -6.204 3.284 1.00 1.00 C ATOM 838 O ASP A 58 1.327 -7.218 3.024 1.00 1.00 O ATOM 839 CB ASP A 58 3.090 -5.949 5.491 1.00 1.00 C ATOM 840 CG ASP A 58 1.793 -6.579 6.033 1.00 1.00 C ATOM 841 OD1 ASP A 58 1.791 -7.801 6.304 1.00 1.00 O ATOM 842 OD2 ASP A 58 0.747 -5.885 6.070 1.00 1.00 O ATOM 0 H ASP A 58 4.864 -5.021 3.852 1.00 1.00 H new ATOM 0 HA ASP A 58 3.582 -7.438 4.082 1.00 1.00 H new ATOM 0 HB2 ASP A 58 3.942 -6.260 6.095 1.00 1.00 H new ATOM 0 HB3 ASP A 58 3.036 -4.862 5.552 1.00 1.00 H new ATOM 847 N ALA A 59 1.605 -4.963 2.905 1.00 1.00 N ATOM 848 CA ALA A 59 0.352 -4.716 2.185 1.00 1.00 C ATOM 849 C ALA A 59 0.212 -5.718 1.039 1.00 1.00 C ATOM 850 O ALA A 59 -0.838 -6.343 0.913 1.00 1.00 O ATOM 851 CB ALA A 59 0.255 -3.266 1.710 1.00 1.00 C ATOM 0 H ALA A 59 2.159 -4.126 3.087 1.00 1.00 H new ATOM 0 HA ALA A 59 -0.486 -4.865 2.866 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -0.686 -3.119 1.180 1.00 1.00 H new ATOM 0 HB2 ALA A 59 0.296 -2.598 2.570 1.00 1.00 H new ATOM 0 HB3 ALA A 59 1.086 -3.046 1.040 1.00 1.00 H new ATOM 857 N CYS A 60 1.272 -5.842 0.236 1.00 1.00 N ATOM 858 CA CYS A 60 1.515 -6.777 -0.834 1.00 1.00 C ATOM 859 C CYS A 60 2.920 -6.545 -1.423 1.00 1.00 C ATOM 860 O CYS A 60 3.394 -5.409 -1.462 1.00 1.00 O ATOM 861 CB CYS A 60 0.496 -6.684 -1.967 1.00 1.00 C ATOM 862 SG CYS A 60 -1.120 -7.505 -1.848 1.00 1.00 S ATOM 0 H CYS A 60 2.065 -5.209 0.344 1.00 1.00 H new ATOM 0 HA CYS A 60 1.428 -7.770 -0.393 1.00 1.00 H new ATOM 0 HB2 CYS A 60 0.303 -5.625 -2.136 1.00 1.00 H new ATOM 0 HB3 CYS A 60 0.982 -7.066 -2.865 1.00 1.00 H new ATOM 867 N PRO A 61 3.519 -7.561 -2.071 1.00 1.00 N ATOM 868 CA PRO A 61 2.949 -8.882 -2.267 1.00 1.00 C ATOM 869 C PRO A 61 3.500 -9.870 -1.215 1.00 1.00 C ATOM 870 O PRO A 61 4.536 -10.499 -1.428 1.00 1.00 O ATOM 871 CB PRO A 61 3.379 -9.237 -3.694 1.00 1.00 C ATOM 872 CG PRO A 61 4.768 -8.602 -3.824 1.00 1.00 C ATOM 873 CD PRO A 61 4.717 -7.398 -2.879 1.00 1.00 C ATOM 0 HA PRO A 61 1.867 -8.922 -2.146 1.00 1.00 H new ATOM 0 HB2 PRO A 61 3.416 -10.316 -3.844 1.00 1.00 H new ATOM 0 HB3 PRO A 61 2.685 -8.836 -4.433 1.00 1.00 H new ATOM 0 HG2 PRO A 61 5.554 -9.301 -3.538 1.00 1.00 H new ATOM 0 HG3 PRO A 61 4.972 -8.295 -4.850 1.00 1.00 H new ATOM 0 HD2 PRO A 61 5.607 -7.359 -2.251 1.00 1.00 H new ATOM 0 HD3 PRO A 61 4.683 -6.465 -3.441 1.00 1.00 H new ATOM 881 N VAL A 62 2.796 -10.048 -0.098 1.00 1.00 N ATOM 882 CA VAL A 62 3.168 -10.931 1.011 1.00 1.00 C ATOM 883 C VAL A 62 1.949 -11.831 1.291 1.00 1.00 C ATOM 884 O VAL A 62 1.087 -12.004 0.424 1.00 1.00 O ATOM 885 CB VAL A 62 3.762 -10.058 2.161 1.00 1.00 C ATOM 886 CG1 VAL A 62 3.938 -10.685 3.558 1.00 1.00 C ATOM 887 CG2 VAL A 62 5.181 -9.605 1.758 1.00 1.00 C ATOM 0 H VAL A 62 1.915 -9.562 0.068 1.00 1.00 H new ATOM 0 HA VAL A 62 3.977 -11.634 0.814 1.00 1.00 H new ATOM 0 HB VAL A 62 3.006 -9.280 2.267 1.00 1.00 H new ATOM 0 HG11 VAL A 62 4.361 -9.946 4.238 1.00 1.00 H new ATOM 0 HG12 VAL A 62 2.969 -11.012 3.935 1.00 1.00 H new ATOM 0 HG13 VAL A 62 4.608 -11.542 3.490 1.00 1.00 H new ATOM 0 HG21 VAL A 62 5.607 -8.994 2.553 1.00 1.00 H new ATOM 0 HG22 VAL A 62 5.810 -10.480 1.596 1.00 1.00 H new ATOM 0 HG23 VAL A 62 5.129 -9.020 0.839 1.00 1.00 H new ATOM 897 N VAL A 63 1.924 -12.512 2.437 1.00 1.00 N ATOM 898 CA VAL A 63 0.916 -13.498 2.823 1.00 1.00 C ATOM 899 C VAL A 63 -0.486 -12.895 2.653 1.00 1.00 C ATOM 900 O VAL A 63 -0.691 -11.696 2.856 1.00 1.00 O ATOM 901 CB VAL A 63 1.174 -14.011 4.257 1.00 1.00 C ATOM 902 CG1 VAL A 63 0.346 -15.267 4.579 1.00 1.00 C ATOM 903 CG2 VAL A 63 2.654 -14.360 4.511 1.00 1.00 C ATOM 0 H VAL A 63 2.639 -12.385 3.154 1.00 1.00 H new ATOM 0 HA VAL A 63 0.983 -14.367 2.168 1.00 1.00 H new ATOM 0 HB VAL A 63 0.877 -13.184 4.902 1.00 1.00 H new ATOM 0 HG11 VAL A 63 0.559 -15.592 5.597 1.00 1.00 H new ATOM 0 HG12 VAL A 63 -0.715 -15.037 4.487 1.00 1.00 H new ATOM 0 HG13 VAL A 63 0.606 -16.063 3.882 1.00 1.00 H new ATOM 0 HG21 VAL A 63 2.774 -14.715 5.535 1.00 1.00 H new ATOM 0 HG22 VAL A 63 2.968 -15.140 3.818 1.00 1.00 H new ATOM 0 HG23 VAL A 63 3.268 -13.472 4.360 1.00 1.00 H new ATOM 913 N ASP A 64 -1.455 -13.755 2.332 1.00 1.00 N ATOM 914 CA ASP A 64 -2.831 -13.393 1.991 1.00 1.00 C ATOM 915 C ASP A 64 -3.409 -12.351 2.947 1.00 1.00 C ATOM 916 O ASP A 64 -3.685 -12.632 4.119 1.00 1.00 O ATOM 917 CB ASP A 64 -3.685 -14.686 2.003 1.00 1.00 C ATOM 918 CG ASP A 64 -5.210 -14.510 2.163 1.00 1.00 C ATOM 919 OD1 ASP A 64 -5.777 -13.469 1.771 1.00 1.00 O ATOM 920 OD2 ASP A 64 -5.830 -15.438 2.734 1.00 1.00 O ATOM 0 H ASP A 64 -1.296 -14.762 2.302 1.00 1.00 H new ATOM 0 HA ASP A 64 -2.844 -12.936 1.001 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -3.501 -15.224 1.073 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -3.329 -15.321 2.814 1.00 1.00 H new ATOM 925 N HIS A 65 -3.656 -11.150 2.414 1.00 1.00 N ATOM 926 CA HIS A 65 -4.329 -10.074 3.092 1.00 1.00 C ATOM 927 C HIS A 65 -5.777 -10.462 2.875 1.00 1.00 C ATOM 928 O HIS A 65 -6.374 -10.161 1.847 1.00 1.00 O ATOM 929 CB HIS A 65 -3.858 -8.683 2.635 1.00 1.00 C ATOM 930 CG HIS A 65 -2.570 -8.299 3.341 1.00 1.00 C ATOM 931 ND1 HIS A 65 -1.496 -9.135 3.609 1.00 1.00 N ATOM 932 CD2 HIS A 65 -2.346 -7.113 3.993 1.00 1.00 C ATOM 933 CE1 HIS A 65 -0.672 -8.484 4.446 1.00 1.00 C ATOM 934 NE2 HIS A 65 -1.151 -7.251 4.677 1.00 1.00 N ATOM 0 H HIS A 65 -3.377 -10.907 1.464 1.00 1.00 H new ATOM 0 HA HIS A 65 -4.117 -9.958 4.155 1.00 1.00 H new ATOM 0 HB2 HIS A 65 -3.703 -8.682 1.556 1.00 1.00 H new ATOM 0 HB3 HIS A 65 -4.630 -7.943 2.847 1.00 1.00 H new ATOM 0 HD2 HIS A 65 -2.981 -6.239 3.976 1.00 1.00 H new ATOM 0 HE1 HIS A 65 0.236 -8.889 4.868 1.00 1.00 H new ATOM 0 HE2 HIS A 65 -0.709 -6.538 5.257 1.00 1.00 H new ATOM 943 N HIS A 66 -6.279 -11.167 3.894 1.00 1.00 N ATOM 944 CA HIS A 66 -7.535 -11.881 4.135 1.00 1.00 C ATOM 945 C HIS A 66 -8.874 -11.403 3.552 1.00 1.00 C ATOM 946 O HIS A 66 -9.919 -11.868 4.007 1.00 1.00 O ATOM 947 CB HIS A 66 -7.590 -12.269 5.631 1.00 1.00 C ATOM 948 CG HIS A 66 -6.937 -13.610 5.886 1.00 1.00 C ATOM 949 ND1 HIS A 66 -5.677 -14.003 5.465 1.00 1.00 N ATOM 950 CD2 HIS A 66 -7.565 -14.706 6.414 1.00 1.00 C ATOM 951 CE1 HIS A 66 -5.554 -15.317 5.713 1.00 1.00 C ATOM 952 NE2 HIS A 66 -6.679 -15.764 6.308 1.00 1.00 N ATOM 0 H HIS A 66 -5.695 -11.264 4.725 1.00 1.00 H new ATOM 0 HA HIS A 66 -7.457 -12.741 3.470 1.00 1.00 H new ATOM 0 HB2 HIS A 66 -7.091 -11.503 6.224 1.00 1.00 H new ATOM 0 HB3 HIS A 66 -8.628 -12.301 5.961 1.00 1.00 H new ATOM 0 HD1 HIS A 66 -4.970 -13.402 5.042 1.00 1.00 H new ATOM 0 HD2 HIS A 66 -8.560 -14.739 6.833 1.00 1.00 H new ATOM 0 HE1 HIS A 66 -4.691 -15.920 5.474 1.00 1.00 H new ATOM 961 N HIS A 67 -8.921 -10.579 2.506 1.00 1.00 N ATOM 962 CA HIS A 67 -10.165 -10.215 1.829 1.00 1.00 C ATOM 963 C HIS A 67 -10.770 -11.415 1.085 1.00 1.00 C ATOM 964 O HIS A 67 -11.829 -11.292 0.474 1.00 1.00 O ATOM 965 CB HIS A 67 -9.965 -8.955 0.979 1.00 1.00 C ATOM 966 CG HIS A 67 -9.995 -7.770 1.907 1.00 1.00 C ATOM 967 ND1 HIS A 67 -8.906 -7.132 2.473 1.00 1.00 N ATOM 968 CD2 HIS A 67 -11.126 -7.306 2.519 1.00 1.00 C ATOM 969 CE1 HIS A 67 -9.380 -6.291 3.411 1.00 1.00 C ATOM 970 NE2 HIS A 67 -10.724 -6.374 3.450 1.00 1.00 N ATOM 0 H HIS A 67 -8.092 -10.143 2.102 1.00 1.00 H new ATOM 0 HA HIS A 67 -10.920 -9.948 2.569 1.00 1.00 H new ATOM 0 HB2 HIS A 67 -9.015 -9.000 0.446 1.00 1.00 H new ATOM 0 HB3 HIS A 67 -10.749 -8.872 0.227 1.00 1.00 H new ATOM 0 HD1 HIS A 67 -7.926 -7.273 2.226 1.00 1.00 H new ATOM 0 HD2 HIS A 67 -12.141 -7.612 2.312 1.00 1.00 H new ATOM 0 HE1 HIS A 67 -8.776 -5.649 4.036 1.00 1.00 H new ATOM 979 N HIS A 68 -10.117 -12.583 1.139 1.00 1.00 N ATOM 980 CA HIS A 68 -10.525 -13.898 0.655 1.00 1.00 C ATOM 981 C HIS A 68 -11.690 -14.303 1.584 1.00 1.00 C ATOM 982 O HIS A 68 -11.558 -15.194 2.418 1.00 1.00 O ATOM 983 CB HIS A 68 -9.251 -14.775 0.766 1.00 1.00 C ATOM 984 CG HIS A 68 -9.344 -16.276 0.609 1.00 1.00 C ATOM 985 ND1 HIS A 68 -10.388 -17.032 0.104 1.00 1.00 N ATOM 986 CD2 HIS A 68 -8.372 -17.140 1.034 1.00 1.00 C ATOM 987 CE1 HIS A 68 -10.070 -18.328 0.252 1.00 1.00 C ATOM 988 NE2 HIS A 68 -8.839 -18.422 0.798 1.00 1.00 N ATOM 0 H HIS A 68 -9.193 -12.629 1.569 1.00 1.00 H new ATOM 0 HA HIS A 68 -10.880 -13.973 -0.373 1.00 1.00 H new ATOM 0 HB2 HIS A 68 -8.545 -14.415 0.018 1.00 1.00 H new ATOM 0 HB3 HIS A 68 -8.808 -14.579 1.743 1.00 1.00 H new ATOM 0 HD1 HIS A 68 -11.247 -16.668 -0.308 1.00 1.00 H new ATOM 0 HD2 HIS A 68 -7.421 -16.873 1.471 1.00 1.00 H new ATOM 0 HE1 HIS A 68 -10.699 -19.162 -0.022 1.00 1.00 H new ATOM 997 N HIS A 69 -12.835 -13.619 1.461 1.00 1.00 N ATOM 998 CA HIS A 69 -14.017 -13.733 2.322 1.00 1.00 C ATOM 999 C HIS A 69 -14.620 -15.137 2.379 1.00 1.00 C ATOM 1000 O HIS A 69 -15.376 -15.432 3.307 1.00 1.00 O ATOM 1001 CB HIS A 69 -15.065 -12.694 1.883 1.00 1.00 C ATOM 1002 CG HIS A 69 -15.946 -12.193 3.003 1.00 1.00 C ATOM 1003 ND1 HIS A 69 -16.491 -12.941 4.038 1.00 1.00 N ATOM 1004 CD2 HIS A 69 -16.321 -10.892 3.180 1.00 1.00 C ATOM 1005 CE1 HIS A 69 -17.178 -12.090 4.832 1.00 1.00 C ATOM 1006 NE2 HIS A 69 -17.084 -10.848 4.324 1.00 1.00 N ATOM 0 H HIS A 69 -12.968 -12.934 0.717 1.00 1.00 H new ATOM 0 HA HIS A 69 -13.688 -13.531 3.341 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -14.552 -11.845 1.432 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -15.694 -13.134 1.109 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -16.067 -10.057 2.544 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -17.715 -12.363 5.728 1.00 1.00 H new ATOM 0 HE2 HIS A 69 -17.509 -10.010 4.722 1.00 1.00 H new ATOM 1015 N HIS A 70 -14.360 -15.953 1.370 1.00 1.00 N ATOM 1016 CA HIS A 70 -14.680 -17.356 1.212 1.00 1.00 C ATOM 1017 C HIS A 70 -13.554 -17.852 0.311 1.00 1.00 C ATOM 1018 O HIS A 70 -13.229 -19.055 0.381 1.00 1.00 O ATOM 1019 CB HIS A 70 -16.069 -17.560 0.579 1.00 1.00 C ATOM 1020 CG HIS A 70 -16.520 -19.005 0.552 1.00 1.00 C ATOM 1021 ND1 HIS A 70 -15.691 -20.105 0.424 1.00 1.00 N ATOM 1022 CD2 HIS A 70 -17.808 -19.456 0.651 1.00 1.00 C ATOM 1023 CE1 HIS A 70 -16.461 -21.209 0.448 1.00 1.00 C ATOM 1024 NE2 HIS A 70 -17.753 -20.840 0.585 1.00 1.00 N ATOM 1025 OXT HIS A 70 -12.990 -17.010 -0.427 1.00 1.00 O ATOM 0 H HIS A 70 -13.863 -15.604 0.551 1.00 1.00 H new ATOM 0 HA HIS A 70 -14.741 -17.897 2.156 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -16.800 -16.971 1.132 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -16.054 -17.174 -0.440 1.00 1.00 H new ATOM 0 HD1 HIS A 70 -14.676 -20.083 0.328 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -18.696 -18.851 0.760 1.00 1.00 H new ATOM 0 HE1 HIS A 70 -16.104 -22.225 0.370 1.00 1.00 H new TER 1034 HIS A 70