USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 505 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 14 CYS SG : rot 143:sc= 0.217 USER MOD Set 1.2: A 17 CYS SG : rot -44:sc= -0.644 USER MOD Set 1.3: A 25 SER OG : rot 87:sc= 0.464 USER MOD Set 1.4: A 52 HIS : no HE2:sc= -4.46! C(o=-3.3!,f=-5!) USER MOD Set 1.5: A 55 CYS SG : rot 170:sc= 1.12 USER MOD Set 2.1: A 47 CYS SG : rot -70:sc= -4.65! USER MOD Set 2.2: A 49 HIS : no HD1:sc= -10.1! C(o=-14!,f=-19!) USER MOD Set 2.3: A 71 CYS SG : rot 165:sc= -0.834 USER MOD Set 2.4: A 74 CYS SG : rot 180:sc= 0.338 USER MOD Set 2.5: A 76 THR OG1 : rot 110:sc= 0.935 USER MOD Single : A 3 THR OG1 : rot -37:sc= -3.7! USER MOD Single : A 7 LYS NZ :NH3+ 132:sc= -0.116 (180deg=-0.586) USER MOD Single : A 18 MET CE :methyl 154:sc= -0.0592 (180deg=-0.854) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.104 USER MOD Single : A 23 THR OG1 : rot 13:sc= 0.128 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.32 USER MOD Single : A 28 SER OG : rot -100:sc= 0.298 USER MOD Single : A 31 THR OG1 : rot -27:sc= -1.64! USER MOD Single : A 38 SER OG : rot -34:sc= 0.613 USER MOD Single : A 43 HIS : no HE2:sc= -10.7! C(o=-11!,f=-13!) USER MOD Single : A 45 THR OG1 : rot 68:sc= 1.16 USER MOD Single : A 46 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.229) USER MOD Single : A 48 SER OG : rot 98:sc= -0.388 USER MOD Single : A 59 MET CE :methyl 176:sc= -9.05! (180deg=-9.59!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -1.68! C(o=-1.7!,f=-4.5!) USER MOD Single : A 64 ASN :FLIP amide:sc= -3.83! C(o=-4.4!,f=-3.8!) USER MOD Single : A 65 LYS NZ :NH3+ -169:sc= 0.0295 (180deg=0.0172) USER MOD Single : A 68 SER OG : rot -10:sc= 0.937 USER MOD Single : A 70 GLN : amide:sc= -4.27! C(o=-4.3!,f=-12!) USER MOD Single : A 73 SER OG : rot 180:sc= -1.81 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 1.427 0.406 -4.727 1.00 0.00 N ATOM 37 CA THR A 3 1.915 -0.967 -4.746 1.00 0.00 C ATOM 38 C THR A 3 1.235 -1.777 -5.843 1.00 0.00 C ATOM 39 O THR A 3 0.015 -1.731 -5.995 1.00 0.00 O ATOM 40 CB THR A 3 1.686 -1.664 -3.392 1.00 0.00 C ATOM 41 OG1 THR A 3 0.354 -2.187 -3.329 1.00 0.00 O ATOM 42 CG2 THR A 3 1.911 -0.696 -2.240 1.00 0.00 C ATOM 0 HA THR A 3 2.986 -0.919 -4.944 1.00 0.00 H new ATOM 0 HB THR A 3 2.401 -2.482 -3.304 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.262 -1.568 -3.774 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.743 -1.211 -1.294 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.934 -0.322 -2.273 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.217 0.140 -2.326 1.00 0.00 H new ATOM 50 N GLU A 4 2.032 -2.519 -6.605 1.00 0.00 N ATOM 51 CA GLU A 4 1.505 -3.340 -7.690 1.00 0.00 C ATOM 52 C GLU A 4 0.131 -3.899 -7.331 1.00 0.00 C ATOM 53 O GLU A 4 0.023 -4.950 -6.703 1.00 0.00 O ATOM 54 CB GLU A 4 2.468 -4.487 -8.005 1.00 0.00 C ATOM 55 CG GLU A 4 1.770 -5.762 -8.448 1.00 0.00 C ATOM 56 CD GLU A 4 2.619 -6.594 -9.391 1.00 0.00 C ATOM 57 OE1 GLU A 4 3.514 -6.019 -10.046 1.00 0.00 O ATOM 58 OE2 GLU A 4 2.387 -7.818 -9.473 1.00 0.00 O ATOM 0 H GLU A 4 3.044 -2.569 -6.492 1.00 0.00 H new ATOM 0 HA GLU A 4 1.402 -2.709 -8.573 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.156 -4.168 -8.788 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.068 -4.700 -7.120 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.518 -6.358 -7.571 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.832 -5.506 -8.940 1.00 0.00 H new ATOM 65 N GLU A 5 -0.915 -3.184 -7.733 1.00 0.00 N ATOM 66 CA GLU A 5 -2.282 -3.608 -7.453 1.00 0.00 C ATOM 67 C GLU A 5 -2.557 -4.986 -8.048 1.00 0.00 C ATOM 68 O GLU A 5 -1.877 -5.421 -8.977 1.00 0.00 O ATOM 69 CB GLU A 5 -3.279 -2.591 -8.012 1.00 0.00 C ATOM 70 CG GLU A 5 -4.589 -2.538 -7.244 1.00 0.00 C ATOM 71 CD GLU A 5 -5.656 -1.737 -7.964 1.00 0.00 C ATOM 72 OE1 GLU A 5 -6.450 -1.057 -7.281 1.00 0.00 O ATOM 73 OE2 GLU A 5 -5.698 -1.790 -9.211 1.00 0.00 O ATOM 0 H GLU A 5 -0.842 -2.310 -8.253 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.402 -3.668 -6.371 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.821 -1.602 -8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.488 -2.834 -9.054 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.951 -3.553 -7.080 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.412 -2.100 -6.262 1.00 0.00 H new ATOM 80 N LEU A 6 -3.559 -5.669 -7.505 1.00 0.00 N ATOM 81 CA LEU A 6 -3.925 -6.998 -7.980 1.00 0.00 C ATOM 82 C LEU A 6 -5.352 -7.010 -8.519 1.00 0.00 C ATOM 83 O LEU A 6 -6.299 -6.671 -7.809 1.00 0.00 O ATOM 84 CB LEU A 6 -3.787 -8.021 -6.850 1.00 0.00 C ATOM 85 CG LEU A 6 -2.465 -7.997 -6.081 1.00 0.00 C ATOM 86 CD1 LEU A 6 -2.328 -9.238 -5.214 1.00 0.00 C ATOM 87 CD2 LEU A 6 -1.291 -7.883 -7.042 1.00 0.00 C ATOM 0 H LEU A 6 -4.132 -5.324 -6.735 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.247 -7.266 -8.791 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.600 -7.862 -6.141 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.922 -9.018 -7.270 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.462 -7.123 -5.430 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.381 -9.203 -4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.151 -9.276 -4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.353 -10.127 -5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.359 -7.867 -6.477 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.291 -8.737 -7.719 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.381 -6.963 -7.619 1.00 0.00 H new ATOM 99 N LYS A 7 -5.499 -7.405 -9.779 1.00 0.00 N ATOM 100 CA LYS A 7 -6.810 -7.466 -10.414 1.00 0.00 C ATOM 101 C LYS A 7 -7.884 -7.867 -9.407 1.00 0.00 C ATOM 102 O LYS A 7 -9.020 -7.395 -9.475 1.00 0.00 O ATOM 103 CB LYS A 7 -6.790 -8.459 -11.578 1.00 0.00 C ATOM 104 CG LYS A 7 -6.893 -7.799 -12.943 1.00 0.00 C ATOM 105 CD LYS A 7 -8.237 -8.073 -13.595 1.00 0.00 C ATOM 106 CE LYS A 7 -8.244 -7.649 -15.056 1.00 0.00 C ATOM 107 NZ LYS A 7 -7.242 -8.404 -15.857 1.00 0.00 N ATOM 0 H LYS A 7 -4.726 -7.688 -10.381 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.048 -6.473 -10.796 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.869 -9.040 -11.533 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.615 -9.161 -11.460 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.750 -6.723 -12.840 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.094 -8.166 -13.587 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.468 -9.136 -13.522 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.020 -7.539 -13.056 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.238 -7.807 -15.475 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.035 -6.582 -15.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.689 -8.759 -16.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.452 -7.776 -16.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.885 -9.206 -15.299 1.00 0.00 H new ATOM 121 N VAL A 8 -7.518 -8.739 -8.475 1.00 0.00 N ATOM 122 CA VAL A 8 -8.450 -9.202 -7.453 1.00 0.00 C ATOM 123 C VAL A 8 -7.726 -9.504 -6.145 1.00 0.00 C ATOM 124 O VAL A 8 -6.523 -9.762 -6.118 1.00 0.00 O ATOM 125 CB VAL A 8 -9.206 -10.464 -7.912 1.00 0.00 C ATOM 126 CG1 VAL A 8 -9.047 -10.665 -9.411 1.00 0.00 C ATOM 127 CG2 VAL A 8 -8.717 -11.684 -7.147 1.00 0.00 C ATOM 0 H VAL A 8 -6.583 -9.140 -8.406 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.167 -8.397 -7.291 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.266 -10.330 -7.698 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.587 -11.561 -9.717 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.449 -9.800 -9.939 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.990 -10.778 -9.653 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.261 -12.567 -7.483 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.651 -11.824 -7.328 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.888 -11.537 -6.080 1.00 0.00 H new ATOM 137 N PRO A 9 -8.475 -9.472 -5.034 1.00 0.00 N ATOM 138 CA PRO A 9 -7.926 -9.740 -3.700 1.00 0.00 C ATOM 139 C PRO A 9 -7.542 -11.204 -3.517 1.00 0.00 C ATOM 140 O PRO A 9 -8.346 -12.113 -3.724 1.00 0.00 O ATOM 141 CB PRO A 9 -9.076 -9.368 -2.762 1.00 0.00 C ATOM 142 CG PRO A 9 -10.307 -9.534 -3.585 1.00 0.00 C ATOM 143 CD PRO A 9 -9.916 -9.171 -4.991 1.00 0.00 C ATOM 0 HA PRO A 9 -7.010 -9.180 -3.515 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.096 -10.015 -1.885 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.977 -8.344 -2.401 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.675 -10.559 -3.534 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.108 -8.889 -3.224 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.470 -9.755 -5.726 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.113 -8.120 -5.204 1.00 0.00 H new ATOM 151 N PRO A 10 -6.283 -11.441 -3.120 1.00 0.00 N ATOM 152 CA PRO A 10 -5.764 -12.794 -2.898 1.00 0.00 C ATOM 153 C PRO A 10 -6.380 -13.458 -1.671 1.00 0.00 C ATOM 154 O PRO A 10 -7.407 -13.011 -1.163 1.00 0.00 O ATOM 155 CB PRO A 10 -4.265 -12.569 -2.688 1.00 0.00 C ATOM 156 CG PRO A 10 -4.159 -11.169 -2.188 1.00 0.00 C ATOM 157 CD PRO A 10 -5.270 -10.406 -2.855 1.00 0.00 C ATOM 0 HA PRO A 10 -5.997 -13.461 -3.728 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.855 -13.278 -1.969 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.711 -12.701 -3.617 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.258 -11.134 -1.103 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.188 -10.739 -2.434 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.660 -9.618 -2.211 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -4.933 -9.928 -3.775 1.00 0.00 H new ATOM 165 N ASP A 11 -5.746 -14.527 -1.202 1.00 0.00 N ATOM 166 CA ASP A 11 -6.231 -15.252 -0.033 1.00 0.00 C ATOM 167 C ASP A 11 -5.225 -15.175 1.111 1.00 0.00 C ATOM 168 O ASP A 11 -5.103 -16.107 1.905 1.00 0.00 O ATOM 169 CB ASP A 11 -6.506 -16.713 -0.390 1.00 0.00 C ATOM 170 CG ASP A 11 -7.924 -16.933 -0.880 1.00 0.00 C ATOM 171 OD1 ASP A 11 -8.830 -16.209 -0.417 1.00 0.00 O ATOM 172 OD2 ASP A 11 -8.126 -17.828 -1.727 1.00 0.00 O ATOM 0 H ASP A 11 -4.895 -14.911 -1.613 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.160 -14.785 0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.805 -17.034 -1.160 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.326 -17.338 0.485 1.00 0.00 H new ATOM 177 N GLU A 12 -4.505 -14.059 1.186 1.00 0.00 N ATOM 178 CA GLU A 12 -3.508 -13.863 2.231 1.00 0.00 C ATOM 179 C GLU A 12 -4.137 -13.238 3.473 1.00 0.00 C ATOM 180 O GLU A 12 -3.635 -13.401 4.586 1.00 0.00 O ATOM 181 CB GLU A 12 -2.370 -12.977 1.721 1.00 0.00 C ATOM 182 CG GLU A 12 -1.113 -13.749 1.357 1.00 0.00 C ATOM 183 CD GLU A 12 -0.317 -13.081 0.254 1.00 0.00 C ATOM 184 OE1 GLU A 12 -0.851 -12.950 -0.867 1.00 0.00 O ATOM 185 OE2 GLU A 12 0.840 -12.688 0.510 1.00 0.00 O ATOM 0 H GLU A 12 -4.594 -13.278 0.536 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.105 -14.839 2.501 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.714 -12.426 0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.125 -12.240 2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.485 -13.851 2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.388 -14.756 1.043 1.00 0.00 H new ATOM 192 N ASP A 13 -5.239 -12.523 3.274 1.00 0.00 N ATOM 193 CA ASP A 13 -5.938 -11.873 4.377 1.00 0.00 C ATOM 194 C ASP A 13 -5.075 -10.779 4.999 1.00 0.00 C ATOM 195 O ASP A 13 -3.916 -11.011 5.347 1.00 0.00 O ATOM 196 CB ASP A 13 -6.324 -12.901 5.441 1.00 0.00 C ATOM 197 CG ASP A 13 -7.138 -12.293 6.566 1.00 0.00 C ATOM 198 OD1 ASP A 13 -6.601 -11.423 7.283 1.00 0.00 O ATOM 199 OD2 ASP A 13 -8.311 -12.687 6.729 1.00 0.00 O ATOM 0 H ASP A 13 -5.667 -12.379 2.360 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.844 -11.415 3.980 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.896 -13.704 4.976 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.420 -13.350 5.852 1.00 0.00 H new ATOM 204 N CYS A 14 -5.645 -9.588 5.135 1.00 0.00 N ATOM 205 CA CYS A 14 -4.929 -8.457 5.713 1.00 0.00 C ATOM 206 C CYS A 14 -4.108 -8.895 6.921 1.00 0.00 C ATOM 207 O CYS A 14 -4.322 -9.975 7.473 1.00 0.00 O ATOM 208 CB CYS A 14 -5.913 -7.358 6.121 1.00 0.00 C ATOM 209 SG CYS A 14 -5.116 -5.816 6.674 1.00 0.00 S ATOM 0 H CYS A 14 -6.603 -9.380 4.852 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.249 -8.063 4.957 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.564 -7.135 5.275 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.549 -7.734 6.923 1.00 0.00 H new ATOM 0 HG CYS A 14 -5.815 -4.797 6.271 1.00 0.00 H new ATOM 214 N ILE A 15 -3.168 -8.049 7.328 1.00 0.00 N ATOM 215 CA ILE A 15 -2.315 -8.347 8.473 1.00 0.00 C ATOM 216 C ILE A 15 -2.582 -7.383 9.623 1.00 0.00 C ATOM 217 O ILE A 15 -2.332 -7.704 10.786 1.00 0.00 O ATOM 218 CB ILE A 15 -0.823 -8.279 8.096 1.00 0.00 C ATOM 219 CG1 ILE A 15 -0.664 -7.947 6.611 1.00 0.00 C ATOM 220 CG2 ILE A 15 -0.133 -9.593 8.428 1.00 0.00 C ATOM 221 CD1 ILE A 15 0.712 -8.260 6.066 1.00 0.00 C ATOM 0 H ILE A 15 -2.977 -7.152 6.882 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.555 -9.362 8.790 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.352 -7.487 8.678 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.407 -8.504 6.041 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.874 -6.888 6.459 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.921 -9.530 8.156 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.221 -9.790 9.496 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.604 -10.402 7.870 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.752 -8.000 5.008 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.459 -7.683 6.611 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.917 -9.324 6.186 1.00 0.00 H new ATOM 233 N ILE A 16 -3.093 -6.201 9.292 1.00 0.00 N ATOM 234 CA ILE A 16 -3.397 -5.192 10.298 1.00 0.00 C ATOM 235 C ILE A 16 -4.676 -5.536 11.053 1.00 0.00 C ATOM 236 O ILE A 16 -4.639 -5.890 12.232 1.00 0.00 O ATOM 237 CB ILE A 16 -3.546 -3.795 9.667 1.00 0.00 C ATOM 238 CG1 ILE A 16 -2.484 -3.583 8.587 1.00 0.00 C ATOM 239 CG2 ILE A 16 -3.447 -2.717 10.736 1.00 0.00 C ATOM 240 CD1 ILE A 16 -1.728 -2.280 8.731 1.00 0.00 C ATOM 0 H ILE A 16 -3.305 -5.920 8.335 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.559 -5.179 10.995 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.529 -3.726 9.201 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.775 -4.410 8.618 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.962 -3.610 7.608 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.554 -1.736 10.274 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.239 -2.860 11.472 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.477 -2.782 11.229 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.992 -2.196 7.932 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.426 -1.445 8.670 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.221 -2.258 9.696 1.00 0.00 H new ATOM 252 N CYS A 17 -5.808 -5.433 10.366 1.00 0.00 N ATOM 253 CA CYS A 17 -7.101 -5.735 10.969 1.00 0.00 C ATOM 254 C CYS A 17 -7.370 -7.237 10.957 1.00 0.00 C ATOM 255 O CYS A 17 -8.502 -7.677 11.157 1.00 0.00 O ATOM 256 CB CYS A 17 -8.218 -4.999 10.227 1.00 0.00 C ATOM 257 SG CYS A 17 -8.404 -5.496 8.484 1.00 0.00 S ATOM 0 H CYS A 17 -5.857 -5.142 9.390 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.078 -5.397 12.005 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.161 -5.173 10.746 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.024 -3.927 10.270 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.231 -5.583 7.930 1.00 0.00 H new ATOM 262 N MET A 18 -6.321 -8.018 10.721 1.00 0.00 N ATOM 263 CA MET A 18 -6.443 -9.470 10.684 1.00 0.00 C ATOM 264 C MET A 18 -7.781 -9.888 10.080 1.00 0.00 C ATOM 265 O MET A 18 -8.516 -10.681 10.668 1.00 0.00 O ATOM 266 CB MET A 18 -6.303 -10.051 12.093 1.00 0.00 C ATOM 267 CG MET A 18 -4.861 -10.303 12.505 1.00 0.00 C ATOM 268 SD MET A 18 -4.581 -10.006 14.261 1.00 0.00 S ATOM 269 CE MET A 18 -6.006 -10.823 14.975 1.00 0.00 C ATOM 0 H MET A 18 -5.377 -7.669 10.553 1.00 0.00 H new ATOM 0 HA MET A 18 -5.643 -9.861 10.056 1.00 0.00 H new ATOM 0 HB2 MET A 18 -6.762 -9.367 12.807 1.00 0.00 H new ATOM 0 HB3 MET A 18 -6.857 -10.988 12.148 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.593 -11.333 12.267 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.202 -9.660 11.922 1.00 0.00 H new ATOM 0 HE1 MET A 18 -5.774 -11.137 15.993 1.00 0.00 H new ATOM 0 HE2 MET A 18 -6.850 -10.134 14.992 1.00 0.00 H new ATOM 0 HE3 MET A 18 -6.263 -11.697 14.376 1.00 0.00 H new ATOM 279 N GLU A 19 -8.089 -9.349 8.905 1.00 0.00 N ATOM 280 CA GLU A 19 -9.338 -9.666 8.223 1.00 0.00 C ATOM 281 C GLU A 19 -9.084 -10.035 6.765 1.00 0.00 C ATOM 282 O GLU A 19 -8.004 -9.787 6.229 1.00 0.00 O ATOM 283 CB GLU A 19 -10.302 -8.481 8.301 1.00 0.00 C ATOM 284 CG GLU A 19 -10.763 -8.162 9.713 1.00 0.00 C ATOM 285 CD GLU A 19 -12.253 -8.371 9.901 1.00 0.00 C ATOM 286 OE1 GLU A 19 -13.039 -7.617 9.290 1.00 0.00 O ATOM 287 OE2 GLU A 19 -12.633 -9.287 10.660 1.00 0.00 O ATOM 0 H GLU A 19 -7.491 -8.691 8.406 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.787 -10.524 8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.817 -7.601 7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.174 -8.692 7.682 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.220 -8.790 10.419 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.512 -7.128 9.948 1.00 0.00 H new ATOM 294 N LYS A 20 -10.087 -10.630 6.127 1.00 0.00 N ATOM 295 CA LYS A 20 -9.976 -11.033 4.731 1.00 0.00 C ATOM 296 C LYS A 20 -9.607 -9.844 3.849 1.00 0.00 C ATOM 297 O LYS A 20 -10.152 -8.750 4.006 1.00 0.00 O ATOM 298 CB LYS A 20 -11.290 -11.652 4.251 1.00 0.00 C ATOM 299 CG LYS A 20 -11.494 -13.083 4.712 1.00 0.00 C ATOM 300 CD LYS A 20 -11.701 -14.024 3.537 1.00 0.00 C ATOM 301 CE LYS A 20 -12.646 -15.161 3.892 1.00 0.00 C ATOM 302 NZ LYS A 20 -12.006 -16.493 3.711 1.00 0.00 N ATOM 0 H LYS A 20 -10.987 -10.844 6.556 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.183 -11.777 4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.120 -11.043 4.608 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.319 -11.623 3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.629 -13.407 5.290 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.357 -13.133 5.375 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.102 -13.467 2.690 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.740 -14.433 3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.972 -15.053 4.927 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.538 -15.099 3.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.683 -17.241 3.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.718 -16.608 2.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.169 -16.562 4.325 1.00 0.00 H new ATOM 316 N LEU A 21 -8.682 -10.065 2.922 1.00 0.00 N ATOM 317 CA LEU A 21 -8.243 -9.012 2.013 1.00 0.00 C ATOM 318 C LEU A 21 -9.353 -8.638 1.036 1.00 0.00 C ATOM 319 O LEU A 21 -9.190 -7.739 0.211 1.00 0.00 O ATOM 320 CB LEU A 21 -7.001 -9.462 1.243 1.00 0.00 C ATOM 321 CG LEU A 21 -5.656 -9.186 1.918 1.00 0.00 C ATOM 322 CD1 LEU A 21 -4.516 -9.763 1.092 1.00 0.00 C ATOM 323 CD2 LEU A 21 -5.462 -7.691 2.128 1.00 0.00 C ATOM 0 H LEU A 21 -8.221 -10.964 2.780 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.996 -8.132 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.080 -10.534 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.004 -8.971 0.270 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.653 -9.673 2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.567 -9.557 1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.647 -10.841 0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.516 -9.305 0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.500 -7.513 2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.485 -7.182 1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.261 -7.306 2.761 1.00 0.00 H new ATOM 335 N SER A 22 -10.481 -9.332 1.137 1.00 0.00 N ATOM 336 CA SER A 22 -11.619 -9.074 0.261 1.00 0.00 C ATOM 337 C SER A 22 -12.799 -8.519 1.052 1.00 0.00 C ATOM 338 O SER A 22 -13.922 -8.451 0.551 1.00 0.00 O ATOM 339 CB SER A 22 -12.034 -10.357 -0.464 1.00 0.00 C ATOM 340 OG SER A 22 -10.913 -11.190 -0.706 1.00 0.00 O ATOM 0 H SER A 22 -10.632 -10.078 1.816 1.00 0.00 H new ATOM 0 HA SER A 22 -11.316 -8.330 -0.476 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.769 -10.895 0.134 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.515 -10.105 -1.409 1.00 0.00 H new ATOM 0 HG SER A 22 -11.204 -12.004 -1.168 1.00 0.00 H new ATOM 346 N THR A 23 -12.537 -8.124 2.294 1.00 0.00 N ATOM 347 CA THR A 23 -13.577 -7.577 3.157 1.00 0.00 C ATOM 348 C THR A 23 -13.277 -6.129 3.528 1.00 0.00 C ATOM 349 O THR A 23 -13.707 -5.645 4.574 1.00 0.00 O ATOM 350 CB THR A 23 -13.729 -8.404 4.448 1.00 0.00 C ATOM 351 OG1 THR A 23 -12.439 -8.764 4.954 1.00 0.00 O ATOM 352 CG2 THR A 23 -14.548 -9.661 4.191 1.00 0.00 C ATOM 0 H THR A 23 -11.614 -8.173 2.725 1.00 0.00 H new ATOM 0 HA THR A 23 -14.510 -7.620 2.595 1.00 0.00 H new ATOM 0 HB THR A 23 -14.250 -7.794 5.186 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.750 -8.237 4.498 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.642 -10.229 5.116 1.00 0.00 H new ATOM 0 HG22 THR A 23 -15.539 -9.383 3.833 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.050 -10.273 3.439 1.00 0.00 H new ATOM 360 N ALA A 24 -12.539 -5.442 2.661 1.00 0.00 N ATOM 361 CA ALA A 24 -12.186 -4.048 2.897 1.00 0.00 C ATOM 362 C ALA A 24 -11.386 -3.894 4.187 1.00 0.00 C ATOM 363 O ALA A 24 -11.260 -4.839 4.966 1.00 0.00 O ATOM 364 CB ALA A 24 -13.438 -3.186 2.944 1.00 0.00 C ATOM 0 H ALA A 24 -12.175 -5.828 1.790 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.560 -3.714 2.070 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.158 -2.147 3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.968 -3.262 1.995 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.086 -3.530 3.750 1.00 0.00 H new ATOM 370 N SER A 25 -10.848 -2.699 4.406 1.00 0.00 N ATOM 371 CA SER A 25 -10.058 -2.423 5.599 1.00 0.00 C ATOM 372 C SER A 25 -10.947 -2.358 6.837 1.00 0.00 C ATOM 373 O SER A 25 -12.086 -1.897 6.774 1.00 0.00 O ATOM 374 CB SER A 25 -9.292 -1.109 5.438 1.00 0.00 C ATOM 375 OG SER A 25 -8.952 -0.558 6.699 1.00 0.00 O ATOM 0 H SER A 25 -10.945 -1.906 3.772 1.00 0.00 H new ATOM 0 HA SER A 25 -9.345 -3.237 5.727 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.386 -1.282 4.857 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.899 -0.397 4.878 1.00 0.00 H new ATOM 0 HG SER A 25 -8.101 -0.937 7.003 1.00 0.00 H new ATOM 381 N GLY A 26 -10.417 -2.825 7.965 1.00 0.00 N ATOM 382 CA GLY A 26 -11.176 -2.811 9.201 1.00 0.00 C ATOM 383 C GLY A 26 -11.124 -1.466 9.899 1.00 0.00 C ATOM 384 O GLY A 26 -12.034 -1.112 10.649 1.00 0.00 O ATOM 0 H GLY A 26 -9.477 -3.212 8.044 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.214 -3.067 8.989 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.789 -3.579 9.870 1.00 0.00 H new ATOM 388 N TYR A 27 -10.056 -0.715 9.652 1.00 0.00 N ATOM 389 CA TYR A 27 -9.887 0.598 10.265 1.00 0.00 C ATOM 390 C TYR A 27 -10.648 1.666 9.484 1.00 0.00 C ATOM 391 O TYR A 27 -10.562 2.854 9.791 1.00 0.00 O ATOM 392 CB TYR A 27 -8.404 0.963 10.338 1.00 0.00 C ATOM 393 CG TYR A 27 -7.587 0.008 11.178 1.00 0.00 C ATOM 394 CD1 TYR A 27 -6.207 0.142 11.273 1.00 0.00 C ATOM 395 CD2 TYR A 27 -8.193 -1.029 11.876 1.00 0.00 C ATOM 396 CE1 TYR A 27 -5.455 -0.728 12.039 1.00 0.00 C ATOM 397 CE2 TYR A 27 -7.450 -1.902 12.646 1.00 0.00 C ATOM 398 CZ TYR A 27 -6.081 -1.748 12.723 1.00 0.00 C ATOM 399 OH TYR A 27 -5.337 -2.618 13.487 1.00 0.00 O ATOM 0 H TYR A 27 -9.295 -0.993 9.032 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.293 0.554 11.275 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.994 0.988 9.328 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.305 1.969 10.747 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.714 0.940 10.739 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.264 -1.155 11.815 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.383 -0.610 12.101 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -7.938 -2.701 13.185 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.931 -3.277 13.904 1.00 0.00 H new ATOM 409 N SER A 28 -11.392 1.231 8.472 1.00 0.00 N ATOM 410 CA SER A 28 -12.166 2.149 7.644 1.00 0.00 C ATOM 411 C SER A 28 -13.192 2.904 8.482 1.00 0.00 C ATOM 412 O SER A 28 -13.814 3.858 8.013 1.00 0.00 O ATOM 413 CB SER A 28 -12.871 1.385 6.521 1.00 0.00 C ATOM 414 OG SER A 28 -13.870 0.525 7.039 1.00 0.00 O ATOM 0 H SER A 28 -11.475 0.250 8.206 1.00 0.00 H new ATOM 0 HA SER A 28 -11.478 2.872 7.206 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.321 2.091 5.823 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.141 0.803 5.959 1.00 0.00 H new ATOM 0 HG SER A 28 -13.525 -0.391 7.078 1.00 0.00 H new ATOM 420 N ASP A 29 -13.363 2.472 9.727 1.00 0.00 N ATOM 421 CA ASP A 29 -14.313 3.107 10.634 1.00 0.00 C ATOM 422 C ASP A 29 -13.673 4.291 11.349 1.00 0.00 C ATOM 423 O ASP A 29 -14.358 5.084 11.995 1.00 0.00 O ATOM 424 CB ASP A 29 -14.828 2.094 11.657 1.00 0.00 C ATOM 425 CG ASP A 29 -16.043 1.335 11.161 1.00 0.00 C ATOM 426 OD1 ASP A 29 -16.147 0.124 11.451 1.00 0.00 O ATOM 427 OD2 ASP A 29 -16.891 1.951 10.483 1.00 0.00 O ATOM 0 H ASP A 29 -12.856 1.685 10.131 1.00 0.00 H new ATOM 0 HA ASP A 29 -15.153 3.474 10.043 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -14.034 1.386 11.895 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -15.080 2.613 12.582 1.00 0.00 H new ATOM 432 N VAL A 30 -12.354 4.406 11.231 1.00 0.00 N ATOM 433 CA VAL A 30 -11.620 5.494 11.866 1.00 0.00 C ATOM 434 C VAL A 30 -10.706 6.197 10.868 1.00 0.00 C ATOM 435 O VAL A 30 -10.762 7.416 10.710 1.00 0.00 O ATOM 436 CB VAL A 30 -10.775 4.985 13.049 1.00 0.00 C ATOM 437 CG1 VAL A 30 -10.945 5.894 14.256 1.00 0.00 C ATOM 438 CG2 VAL A 30 -11.151 3.552 13.393 1.00 0.00 C ATOM 0 H VAL A 30 -11.771 3.758 10.701 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.361 6.202 12.236 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.725 5.001 12.757 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.341 5.519 15.082 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.623 6.903 14.000 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.994 5.912 14.553 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.545 3.208 14.231 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -12.205 3.508 13.666 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.973 2.912 12.529 1.00 0.00 H new ATOM 448 N THR A 31 -9.865 5.419 10.194 1.00 0.00 N ATOM 449 CA THR A 31 -8.938 5.966 9.212 1.00 0.00 C ATOM 450 C THR A 31 -9.682 6.705 8.106 1.00 0.00 C ATOM 451 O THR A 31 -9.303 7.810 7.720 1.00 0.00 O ATOM 452 CB THR A 31 -8.070 4.861 8.582 1.00 0.00 C ATOM 453 OG1 THR A 31 -8.900 3.792 8.114 1.00 0.00 O ATOM 454 CG2 THR A 31 -7.062 4.324 9.587 1.00 0.00 C ATOM 0 H THR A 31 -9.807 4.407 10.311 1.00 0.00 H new ATOM 0 HA THR A 31 -8.293 6.666 9.742 1.00 0.00 H new ATOM 0 HB THR A 31 -7.526 5.293 7.742 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.728 3.768 8.638 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.461 3.545 9.118 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.412 5.134 9.919 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.590 3.908 10.445 1.00 0.00 H new ATOM 517 N LEU A 36 -6.784 6.666 -0.517 1.00 0.00 N ATOM 518 CA LEU A 36 -6.594 5.345 -1.105 1.00 0.00 C ATOM 519 C LEU A 36 -7.904 4.805 -1.669 1.00 0.00 C ATOM 520 O LEU A 36 -8.026 4.575 -2.871 1.00 0.00 O ATOM 521 CB LEU A 36 -6.038 4.377 -0.060 1.00 0.00 C ATOM 522 CG LEU A 36 -4.575 4.581 0.335 1.00 0.00 C ATOM 523 CD1 LEU A 36 -4.275 3.884 1.653 1.00 0.00 C ATOM 524 CD2 LEU A 36 -3.651 4.075 -0.762 1.00 0.00 C ATOM 0 HA LEU A 36 -5.880 5.438 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.650 4.454 0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.153 3.361 -0.438 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.399 5.649 0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.229 4.040 1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.913 4.295 2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.468 2.816 1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.614 4.228 -0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.828 3.012 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.848 4.622 -1.684 1.00 0.00 H new ATOM 536 N GLY A 37 -8.883 4.608 -0.792 1.00 0.00 N ATOM 537 CA GLY A 37 -10.173 4.099 -1.221 1.00 0.00 C ATOM 538 C GLY A 37 -10.773 3.128 -0.225 1.00 0.00 C ATOM 539 O GLY A 37 -11.983 2.896 -0.224 1.00 0.00 O ATOM 0 H GLY A 37 -8.806 4.792 0.208 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.859 4.933 -1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.062 3.603 -2.185 1.00 0.00 H new ATOM 543 N SER A 38 -9.927 2.554 0.625 1.00 0.00 N ATOM 544 CA SER A 38 -10.381 1.597 1.627 1.00 0.00 C ATOM 545 C SER A 38 -10.961 0.351 0.965 1.00 0.00 C ATOM 546 O SER A 38 -11.720 -0.398 1.582 1.00 0.00 O ATOM 547 CB SER A 38 -11.429 2.239 2.538 1.00 0.00 C ATOM 548 OG SER A 38 -11.916 1.309 3.491 1.00 0.00 O ATOM 0 H SER A 38 -8.923 2.735 0.639 1.00 0.00 H new ATOM 0 HA SER A 38 -9.520 1.301 2.227 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.993 3.096 3.052 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.257 2.615 1.937 1.00 0.00 H new ATOM 0 HG SER A 38 -11.942 0.415 3.091 1.00 0.00 H new ATOM 554 N LEU A 39 -10.598 0.134 -0.294 1.00 0.00 N ATOM 555 CA LEU A 39 -11.081 -1.021 -1.042 1.00 0.00 C ATOM 556 C LEU A 39 -10.090 -1.417 -2.132 1.00 0.00 C ATOM 557 O LEU A 39 -10.458 -2.057 -3.117 1.00 0.00 O ATOM 558 CB LEU A 39 -12.445 -0.716 -1.664 1.00 0.00 C ATOM 559 CG LEU A 39 -13.664 -1.212 -0.884 1.00 0.00 C ATOM 560 CD1 LEU A 39 -14.323 -0.062 -0.138 1.00 0.00 C ATOM 561 CD2 LEU A 39 -14.659 -1.883 -1.819 1.00 0.00 C ATOM 0 H LEU A 39 -9.970 0.743 -0.819 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.183 -1.856 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.532 0.363 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.474 -1.155 -2.661 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.329 -1.949 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -15.188 -0.433 0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.610 0.375 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.644 0.698 -0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -15.520 -2.229 -1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.989 -1.168 -2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.183 -2.733 -2.308 1.00 0.00 H new ATOM 573 N ALA A 40 -8.831 -1.034 -1.947 1.00 0.00 N ATOM 574 CA ALA A 40 -7.786 -1.354 -2.912 1.00 0.00 C ATOM 575 C ALA A 40 -6.806 -2.374 -2.342 1.00 0.00 C ATOM 576 O ALA A 40 -6.432 -2.304 -1.171 1.00 0.00 O ATOM 577 CB ALA A 40 -7.051 -0.090 -3.332 1.00 0.00 C ATOM 0 H ALA A 40 -8.510 -0.502 -1.138 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.259 -1.795 -3.790 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.274 -0.344 -4.053 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.755 0.606 -3.788 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.597 0.375 -2.457 1.00 0.00 H new ATOM 583 N VAL A 41 -6.393 -3.322 -3.178 1.00 0.00 N ATOM 584 CA VAL A 41 -5.456 -4.356 -2.757 1.00 0.00 C ATOM 585 C VAL A 41 -4.172 -4.302 -3.577 1.00 0.00 C ATOM 586 O VAL A 41 -4.205 -4.372 -4.805 1.00 0.00 O ATOM 587 CB VAL A 41 -6.075 -5.761 -2.885 1.00 0.00 C ATOM 588 CG1 VAL A 41 -5.278 -6.772 -2.075 1.00 0.00 C ATOM 589 CG2 VAL A 41 -7.531 -5.743 -2.447 1.00 0.00 C ATOM 0 H VAL A 41 -6.693 -3.395 -4.150 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.223 -4.164 -1.710 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.038 -6.061 -3.932 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.730 -7.758 -2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.252 -6.804 -2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.280 -6.480 -1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.953 -6.744 -2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.594 -5.422 -1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.091 -5.051 -3.075 1.00 0.00 H new ATOM 599 N GLY A 42 -3.041 -4.176 -2.890 1.00 0.00 N ATOM 600 CA GLY A 42 -1.762 -4.115 -3.571 1.00 0.00 C ATOM 601 C GLY A 42 -0.606 -4.510 -2.673 1.00 0.00 C ATOM 602 O GLY A 42 -0.583 -4.165 -1.492 1.00 0.00 O ATOM 0 H GLY A 42 -2.988 -4.115 -1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.785 -4.774 -4.439 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.600 -3.103 -3.943 1.00 0.00 H new ATOM 606 N HIS A 43 0.356 -5.237 -3.233 1.00 0.00 N ATOM 607 CA HIS A 43 1.519 -5.680 -2.475 1.00 0.00 C ATOM 608 C HIS A 43 2.680 -4.704 -2.639 1.00 0.00 C ATOM 609 O HIS A 43 3.209 -4.534 -3.738 1.00 0.00 O ATOM 610 CB HIS A 43 1.946 -7.078 -2.923 1.00 0.00 C ATOM 611 CG HIS A 43 2.715 -7.086 -4.208 1.00 0.00 C ATOM 612 ND1 HIS A 43 3.820 -7.884 -4.419 1.00 0.00 N ATOM 613 CD2 HIS A 43 2.534 -6.387 -5.353 1.00 0.00 C ATOM 614 CE1 HIS A 43 4.285 -7.675 -5.638 1.00 0.00 C ATOM 615 NE2 HIS A 43 3.522 -6.771 -6.226 1.00 0.00 N ATOM 0 H HIS A 43 0.352 -5.531 -4.210 1.00 0.00 H new ATOM 0 HA HIS A 43 1.242 -5.714 -1.421 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.556 -7.531 -2.141 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.059 -7.701 -3.036 1.00 0.00 H new ATOM 0 HD1 HIS A 43 4.216 -8.534 -3.740 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.757 -5.662 -5.544 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.143 -8.161 -6.079 1.00 0.00 H new ATOM 623 N LEU A 44 3.070 -4.065 -1.542 1.00 0.00 N ATOM 624 CA LEU A 44 4.167 -3.104 -1.565 1.00 0.00 C ATOM 625 C LEU A 44 5.262 -3.552 -2.530 1.00 0.00 C ATOM 626 O LEU A 44 5.602 -4.733 -2.596 1.00 0.00 O ATOM 627 CB LEU A 44 4.749 -2.931 -0.161 1.00 0.00 C ATOM 628 CG LEU A 44 4.586 -1.547 0.468 1.00 0.00 C ATOM 629 CD1 LEU A 44 5.522 -1.386 1.655 1.00 0.00 C ATOM 630 CD2 LEU A 44 4.838 -0.459 -0.566 1.00 0.00 C ATOM 0 H LEU A 44 2.643 -4.195 -0.625 1.00 0.00 H new ATOM 0 HA LEU A 44 3.773 -2.148 -1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.282 -3.664 0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.812 -3.168 -0.199 1.00 0.00 H new ATOM 0 HG LEU A 44 3.561 -1.450 0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.392 -0.395 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.293 -2.144 2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.554 -1.504 1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.718 0.520 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.852 -0.554 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.125 -0.562 -1.384 1.00 0.00 H new ATOM 642 N THR A 45 5.813 -2.598 -3.274 1.00 0.00 N ATOM 643 CA THR A 45 6.869 -2.892 -4.234 1.00 0.00 C ATOM 644 C THR A 45 8.230 -2.961 -3.550 1.00 0.00 C ATOM 645 O THR A 45 9.239 -2.528 -4.107 1.00 0.00 O ATOM 646 CB THR A 45 6.923 -1.835 -5.352 1.00 0.00 C ATOM 647 OG1 THR A 45 7.786 -0.758 -4.968 1.00 0.00 O ATOM 648 CG2 THR A 45 5.533 -1.295 -5.654 1.00 0.00 C ATOM 0 H THR A 45 5.545 -1.615 -3.230 1.00 0.00 H new ATOM 0 HA THR A 45 6.635 -3.862 -4.673 1.00 0.00 H new ATOM 0 HB THR A 45 7.314 -2.310 -6.252 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.711 -1.080 -4.924 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.597 -0.550 -6.447 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.887 -2.112 -5.975 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.118 -0.836 -4.757 1.00 0.00 H new ATOM 656 N LYS A 46 8.251 -3.510 -2.340 1.00 0.00 N ATOM 657 CA LYS A 46 9.489 -3.638 -1.579 1.00 0.00 C ATOM 658 C LYS A 46 9.718 -5.085 -1.153 1.00 0.00 C ATOM 659 O LYS A 46 10.747 -5.681 -1.472 1.00 0.00 O ATOM 660 CB LYS A 46 9.450 -2.732 -0.347 1.00 0.00 C ATOM 661 CG LYS A 46 10.262 -1.459 -0.503 1.00 0.00 C ATOM 662 CD LYS A 46 11.589 -1.549 0.233 1.00 0.00 C ATOM 663 CE LYS A 46 11.673 -0.529 1.358 1.00 0.00 C ATOM 664 NZ LYS A 46 12.443 -1.048 2.522 1.00 0.00 N ATOM 0 H LYS A 46 7.425 -3.874 -1.865 1.00 0.00 H new ATOM 0 HA LYS A 46 10.315 -3.332 -2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.414 -2.468 -0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.822 -3.287 0.514 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.444 -1.270 -1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.690 -0.613 -0.122 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.713 -2.552 0.640 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.407 -1.386 -0.469 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.144 0.382 0.988 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.667 -0.259 1.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.216 -0.486 3.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.190 -2.043 2.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.461 -0.978 2.323 1.00 0.00 H new ATOM 678 N CYS A 47 8.753 -5.644 -0.432 1.00 0.00 N ATOM 679 CA CYS A 47 8.848 -7.021 0.038 1.00 0.00 C ATOM 680 C CYS A 47 7.843 -7.913 -0.684 1.00 0.00 C ATOM 681 O CYS A 47 7.957 -9.139 -0.663 1.00 0.00 O ATOM 682 CB CYS A 47 8.611 -7.086 1.548 1.00 0.00 C ATOM 683 SG CYS A 47 7.132 -6.181 2.107 1.00 0.00 S ATOM 0 H CYS A 47 7.895 -5.164 -0.160 1.00 0.00 H new ATOM 0 HA CYS A 47 9.852 -7.383 -0.181 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.519 -8.130 1.846 1.00 0.00 H new ATOM 0 HB3 CYS A 47 9.485 -6.684 2.060 1.00 0.00 H new ATOM 0 HG CYS A 47 7.335 -4.902 1.987 1.00 0.00 H new ATOM 688 N SER A 48 6.859 -7.289 -1.323 1.00 0.00 N ATOM 689 CA SER A 48 5.830 -8.025 -2.049 1.00 0.00 C ATOM 690 C SER A 48 4.730 -8.497 -1.104 1.00 0.00 C ATOM 691 O SER A 48 4.054 -9.492 -1.366 1.00 0.00 O ATOM 692 CB SER A 48 6.446 -9.225 -2.772 1.00 0.00 C ATOM 693 OG SER A 48 7.723 -8.904 -3.295 1.00 0.00 O ATOM 0 H SER A 48 6.752 -6.275 -1.353 1.00 0.00 H new ATOM 0 HA SER A 48 5.389 -7.353 -2.785 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.533 -10.064 -2.082 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.788 -9.544 -3.580 1.00 0.00 H new ATOM 0 HG SER A 48 8.417 -9.225 -2.683 1.00 0.00 H new ATOM 699 N HIS A 49 4.555 -7.774 -0.001 1.00 0.00 N ATOM 700 CA HIS A 49 3.536 -8.117 0.984 1.00 0.00 C ATOM 701 C HIS A 49 2.211 -7.434 0.656 1.00 0.00 C ATOM 702 O HIS A 49 2.155 -6.216 0.489 1.00 0.00 O ATOM 703 CB HIS A 49 3.997 -7.716 2.386 1.00 0.00 C ATOM 704 CG HIS A 49 5.218 -8.450 2.847 1.00 0.00 C ATOM 705 ND1 HIS A 49 5.488 -8.700 4.176 1.00 0.00 N ATOM 706 CD2 HIS A 49 6.243 -8.993 2.148 1.00 0.00 C ATOM 707 CE1 HIS A 49 6.627 -9.362 4.275 1.00 0.00 C ATOM 708 NE2 HIS A 49 7.105 -9.553 3.058 1.00 0.00 N ATOM 0 H HIS A 49 5.106 -6.948 0.232 1.00 0.00 H new ATOM 0 HA HIS A 49 3.385 -9.196 0.954 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.200 -6.645 2.401 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.186 -7.897 3.092 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.360 -8.987 1.074 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.089 -9.691 5.194 1.00 0.00 H new ATOM 0 HE2 HIS A 49 7.973 -10.038 2.831 1.00 0.00 H new ATOM 716 N ALA A 50 1.149 -8.226 0.567 1.00 0.00 N ATOM 717 CA ALA A 50 -0.175 -7.699 0.262 1.00 0.00 C ATOM 718 C ALA A 50 -0.920 -7.313 1.535 1.00 0.00 C ATOM 719 O ALA A 50 -0.574 -7.761 2.628 1.00 0.00 O ATOM 720 CB ALA A 50 -0.978 -8.716 -0.534 1.00 0.00 C ATOM 0 H ALA A 50 1.179 -9.237 0.702 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.050 -6.799 -0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.965 -8.308 -0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.460 -8.938 -1.467 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.085 -9.631 0.048 1.00 0.00 H new ATOM 726 N PHE A 51 -1.943 -6.478 1.386 1.00 0.00 N ATOM 727 CA PHE A 51 -2.736 -6.030 2.526 1.00 0.00 C ATOM 728 C PHE A 51 -3.685 -4.906 2.119 1.00 0.00 C ATOM 729 O PHE A 51 -3.841 -4.608 0.935 1.00 0.00 O ATOM 730 CB PHE A 51 -1.821 -5.557 3.657 1.00 0.00 C ATOM 731 CG PHE A 51 -0.443 -5.180 3.195 1.00 0.00 C ATOM 732 CD1 PHE A 51 0.672 -5.517 3.946 1.00 0.00 C ATOM 733 CD2 PHE A 51 -0.260 -4.488 2.008 1.00 0.00 C ATOM 734 CE1 PHE A 51 1.941 -5.171 3.523 1.00 0.00 C ATOM 735 CE2 PHE A 51 1.006 -4.140 1.580 1.00 0.00 C ATOM 736 CZ PHE A 51 2.109 -4.481 2.339 1.00 0.00 C ATOM 0 H PHE A 51 -2.243 -6.098 0.488 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.330 -6.873 2.878 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.278 -4.698 4.149 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.742 -6.347 4.404 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.547 -6.057 4.873 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.118 -4.218 1.411 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.801 -5.440 4.118 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.134 -3.602 0.653 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.100 -4.209 2.007 1.00 0.00 H new ATOM 746 N HIS A 52 -4.318 -4.287 3.111 1.00 0.00 N ATOM 747 CA HIS A 52 -5.251 -3.195 2.858 1.00 0.00 C ATOM 748 C HIS A 52 -4.521 -1.858 2.801 1.00 0.00 C ATOM 749 O HIS A 52 -4.234 -1.250 3.835 1.00 0.00 O ATOM 750 CB HIS A 52 -6.328 -3.156 3.943 1.00 0.00 C ATOM 751 CG HIS A 52 -7.305 -4.288 3.859 1.00 0.00 C ATOM 752 ND1 HIS A 52 -7.903 -4.850 4.966 1.00 0.00 N ATOM 753 CD2 HIS A 52 -7.790 -4.961 2.789 1.00 0.00 C ATOM 754 CE1 HIS A 52 -8.712 -5.822 4.582 1.00 0.00 C ATOM 755 NE2 HIS A 52 -8.661 -5.910 3.265 1.00 0.00 N ATOM 0 H HIS A 52 -4.202 -4.523 4.097 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.724 -3.371 1.892 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.847 -3.174 4.921 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.870 -2.213 3.871 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -7.746 -4.561 5.931 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.539 -4.784 1.754 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -9.312 -6.439 5.234 1.00 0.00 H new ATOM 763 N LEU A 53 -4.221 -1.404 1.589 1.00 0.00 N ATOM 764 CA LEU A 53 -3.523 -0.137 1.398 1.00 0.00 C ATOM 765 C LEU A 53 -3.962 0.889 2.437 1.00 0.00 C ATOM 766 O LEU A 53 -3.185 1.760 2.831 1.00 0.00 O ATOM 767 CB LEU A 53 -3.781 0.403 -0.010 1.00 0.00 C ATOM 768 CG LEU A 53 -3.099 -0.348 -1.153 1.00 0.00 C ATOM 769 CD1 LEU A 53 -3.782 -0.044 -2.477 1.00 0.00 C ATOM 770 CD2 LEU A 53 -1.621 0.009 -1.218 1.00 0.00 C ATOM 0 H LEU A 53 -4.450 -1.894 0.724 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.455 -0.317 1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.856 0.396 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.459 1.444 -0.043 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.186 -1.418 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.282 -0.588 -3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.826 -0.352 -2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.728 1.026 -2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.151 -0.535 -2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.513 1.081 -1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.139 -0.263 -0.279 1.00 0.00 H new ATOM 782 N LEU A 54 -5.209 0.781 2.878 1.00 0.00 N ATOM 783 CA LEU A 54 -5.752 1.699 3.874 1.00 0.00 C ATOM 784 C LEU A 54 -5.110 1.464 5.237 1.00 0.00 C ATOM 785 O LEU A 54 -4.502 2.367 5.813 1.00 0.00 O ATOM 786 CB LEU A 54 -7.269 1.531 3.977 1.00 0.00 C ATOM 787 CG LEU A 54 -7.922 2.090 5.242 1.00 0.00 C ATOM 788 CD1 LEU A 54 -7.128 3.272 5.776 1.00 0.00 C ATOM 789 CD2 LEU A 54 -9.362 2.493 4.967 1.00 0.00 C ATOM 0 H LEU A 54 -5.865 0.066 2.562 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.526 2.717 3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.727 2.012 3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.502 0.468 3.911 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.924 1.308 6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.608 3.656 6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.114 2.951 6.014 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.092 4.057 5.021 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.810 2.888 5.879 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.384 3.258 4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.926 1.622 4.634 1.00 0.00 H new ATOM 801 N CYS A 55 -5.247 0.244 5.749 1.00 0.00 N ATOM 802 CA CYS A 55 -4.679 -0.110 7.044 1.00 0.00 C ATOM 803 C CYS A 55 -3.214 0.311 7.128 1.00 0.00 C ATOM 804 O CYS A 55 -2.787 0.915 8.113 1.00 0.00 O ATOM 805 CB CYS A 55 -4.804 -1.616 7.282 1.00 0.00 C ATOM 806 SG CYS A 55 -6.507 -2.181 7.598 1.00 0.00 S ATOM 0 H CYS A 55 -5.747 -0.515 5.286 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.235 0.421 7.816 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.413 -2.144 6.412 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.178 -1.892 8.130 1.00 0.00 H new ATOM 0 HG CYS A 55 -6.545 -3.480 7.574 1.00 0.00 H new ATOM 811 N LEU A 56 -2.451 -0.014 6.092 1.00 0.00 N ATOM 812 CA LEU A 56 -1.033 0.330 6.047 1.00 0.00 C ATOM 813 C LEU A 56 -0.831 1.830 6.236 1.00 0.00 C ATOM 814 O LEU A 56 -0.133 2.262 7.155 1.00 0.00 O ATOM 815 CB LEU A 56 -0.421 -0.116 4.719 1.00 0.00 C ATOM 816 CG LEU A 56 -0.419 -1.621 4.452 1.00 0.00 C ATOM 817 CD1 LEU A 56 -1.755 -2.064 3.876 1.00 0.00 C ATOM 818 CD2 LEU A 56 0.719 -1.996 3.513 1.00 0.00 C ATOM 0 H LEU A 56 -2.789 -0.516 5.271 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.532 -0.191 6.863 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.961 0.375 3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.608 0.241 4.678 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.266 -2.137 5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.734 -3.138 3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.551 -1.832 4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.939 -1.540 2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.704 -3.071 3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.598 -1.469 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.671 -1.716 3.965 1.00 0.00 H new ATOM 830 N LEU A 57 -1.446 2.619 5.363 1.00 0.00 N ATOM 831 CA LEU A 57 -1.336 4.071 5.435 1.00 0.00 C ATOM 832 C LEU A 57 -1.526 4.563 6.866 1.00 0.00 C ATOM 833 O LEU A 57 -1.014 5.614 7.246 1.00 0.00 O ATOM 834 CB LEU A 57 -2.370 4.727 4.516 1.00 0.00 C ATOM 835 CG LEU A 57 -2.400 6.256 4.524 1.00 0.00 C ATOM 836 CD1 LEU A 57 -1.267 6.816 3.677 1.00 0.00 C ATOM 837 CD2 LEU A 57 -3.745 6.765 4.025 1.00 0.00 C ATOM 0 H LEU A 57 -2.026 2.278 4.597 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.336 4.351 5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.184 4.392 3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.358 4.363 4.796 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.263 6.599 5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.304 7.905 3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.311 6.479 4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.373 6.466 2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.749 7.855 4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.912 6.413 3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.538 6.392 4.673 1.00 0.00 H new ATOM 849 N ALA A 58 -2.267 3.792 7.657 1.00 0.00 N ATOM 850 CA ALA A 58 -2.522 4.146 9.048 1.00 0.00 C ATOM 851 C ALA A 58 -1.254 4.023 9.886 1.00 0.00 C ATOM 852 O ALA A 58 -0.726 5.018 10.380 1.00 0.00 O ATOM 853 CB ALA A 58 -3.625 3.270 9.622 1.00 0.00 C ATOM 0 H ALA A 58 -2.701 2.919 7.358 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.847 5.186 9.079 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.805 3.545 10.661 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.539 3.412 9.046 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.323 2.224 9.571 1.00 0.00 H new ATOM 859 N MET A 59 -0.772 2.794 10.044 1.00 0.00 N ATOM 860 CA MET A 59 0.434 2.542 10.824 1.00 0.00 C ATOM 861 C MET A 59 1.678 2.983 10.060 1.00 0.00 C ATOM 862 O MET A 59 2.781 2.996 10.605 1.00 0.00 O ATOM 863 CB MET A 59 0.538 1.056 11.176 1.00 0.00 C ATOM 864 CG MET A 59 0.394 0.136 9.975 1.00 0.00 C ATOM 865 SD MET A 59 1.910 -0.769 9.609 1.00 0.00 S ATOM 866 CE MET A 59 2.184 -0.294 7.903 1.00 0.00 C ATOM 0 H MET A 59 -1.198 1.958 9.643 1.00 0.00 H new ATOM 0 HA MET A 59 0.369 3.123 11.744 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.501 0.870 11.652 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.232 0.809 11.907 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.413 -0.573 10.160 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.107 0.724 9.104 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.126 -0.717 7.554 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.367 -0.668 7.286 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.226 0.793 7.830 1.00 0.00 H new ATOM 876 N TYR A 60 1.492 3.343 8.794 1.00 0.00 N ATOM 877 CA TYR A 60 2.600 3.782 7.955 1.00 0.00 C ATOM 878 C TYR A 60 3.335 4.958 8.591 1.00 0.00 C ATOM 879 O TYR A 60 4.532 5.146 8.377 1.00 0.00 O ATOM 880 CB TYR A 60 2.091 4.176 6.567 1.00 0.00 C ATOM 881 CG TYR A 60 2.370 5.617 6.206 1.00 0.00 C ATOM 882 CD1 TYR A 60 3.290 5.941 5.216 1.00 0.00 C ATOM 883 CD2 TYR A 60 1.715 6.656 6.857 1.00 0.00 C ATOM 884 CE1 TYR A 60 3.548 7.256 4.883 1.00 0.00 C ATOM 885 CE2 TYR A 60 1.967 7.975 6.529 1.00 0.00 C ATOM 886 CZ TYR A 60 2.885 8.270 5.542 1.00 0.00 C ATOM 887 OH TYR A 60 3.139 9.582 5.215 1.00 0.00 O ATOM 0 H TYR A 60 0.585 3.339 8.327 1.00 0.00 H new ATOM 0 HA TYR A 60 3.299 2.951 7.857 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.553 3.528 5.822 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.016 4.000 6.520 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.812 5.150 4.698 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.998 6.429 7.632 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.265 7.489 4.110 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.448 8.771 7.043 1.00 0.00 H new ATOM 0 HH TYR A 60 2.588 10.171 5.772 1.00 0.00 H new ATOM 897 N CYS A 61 2.608 5.745 9.377 1.00 0.00 N ATOM 898 CA CYS A 61 3.189 6.903 10.047 1.00 0.00 C ATOM 899 C CYS A 61 4.313 6.481 10.986 1.00 0.00 C ATOM 900 O CYS A 61 5.041 7.319 11.515 1.00 0.00 O ATOM 901 CB CYS A 61 2.113 7.659 10.827 1.00 0.00 C ATOM 902 SG CYS A 61 2.193 9.456 10.642 1.00 0.00 S ATOM 0 H CYS A 61 1.616 5.602 9.566 1.00 0.00 H new ATOM 0 HA CYS A 61 3.606 7.562 9.285 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.132 7.314 10.500 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.202 7.409 11.884 1.00 0.00 H new ATOM 0 HG CYS A 61 1.242 10.007 11.337 1.00 0.00 H new ATOM 908 N ASN A 62 4.447 5.174 11.190 1.00 0.00 N ATOM 909 CA ASN A 62 5.482 4.640 12.069 1.00 0.00 C ATOM 910 C ASN A 62 6.809 4.509 11.329 1.00 0.00 C ATOM 911 O ASN A 62 7.848 4.957 11.811 1.00 0.00 O ATOM 912 CB ASN A 62 5.058 3.278 12.622 1.00 0.00 C ATOM 913 CG ASN A 62 6.105 2.673 13.536 1.00 0.00 C ATOM 914 OD1 ASN A 62 7.292 2.979 13.425 1.00 0.00 O ATOM 915 ND2 ASN A 62 5.669 1.810 14.446 1.00 0.00 N ATOM 0 H ASN A 62 3.853 4.466 10.759 1.00 0.00 H new ATOM 0 HA ASN A 62 5.615 5.336 12.897 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.122 3.387 13.169 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.866 2.596 11.793 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.328 1.371 15.089 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.675 1.586 14.502 1.00 0.00 H new ATOM 922 N GLY A 63 6.767 3.892 10.151 1.00 0.00 N ATOM 923 CA GLY A 63 7.972 3.714 9.363 1.00 0.00 C ATOM 924 C GLY A 63 7.743 3.972 7.887 1.00 0.00 C ATOM 925 O GLY A 63 6.674 4.435 7.489 1.00 0.00 O ATOM 0 H GLY A 63 5.919 3.513 9.729 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.746 4.388 9.731 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.344 2.698 9.498 1.00 0.00 H new ATOM 929 N ASN A 64 8.749 3.674 7.072 1.00 0.00 N ATOM 930 CA ASN A 64 8.654 3.879 5.631 1.00 0.00 C ATOM 931 C ASN A 64 8.483 5.359 5.302 1.00 0.00 C ATOM 932 O ASN A 64 9.415 6.016 4.837 1.00 0.00 O ATOM 933 CB ASN A 64 7.481 3.080 5.059 1.00 0.00 C ATOM 934 CG ASN A 64 7.924 1.772 4.433 1.00 0.00 C ATOM 935 OD1 ASN A 64 7.122 1.255 3.510 1.00 0.00 O flip ATOM 936 ND2 ASN A 64 8.977 1.231 4.776 1.00 0.00 N flip ATOM 0 H ASN A 64 9.640 3.289 7.385 1.00 0.00 H new ATOM 0 HA ASN A 64 9.581 3.529 5.177 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.763 2.875 5.853 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.965 3.682 4.311 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.564 1.663 5.490 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.262 0.351 4.346 1.00 0.00 H new ATOM 943 N LYS A 65 7.285 5.880 5.548 1.00 0.00 N ATOM 944 CA LYS A 65 6.991 7.282 5.280 1.00 0.00 C ATOM 945 C LYS A 65 7.595 7.721 3.949 1.00 0.00 C ATOM 946 O LYS A 65 8.674 8.312 3.911 1.00 0.00 O ATOM 947 CB LYS A 65 7.528 8.162 6.411 1.00 0.00 C ATOM 948 CG LYS A 65 6.439 8.847 7.219 1.00 0.00 C ATOM 949 CD LYS A 65 6.451 8.392 8.668 1.00 0.00 C ATOM 950 CE LYS A 65 7.360 9.265 9.519 1.00 0.00 C ATOM 951 NZ LYS A 65 7.967 8.504 10.645 1.00 0.00 N ATOM 0 H LYS A 65 6.502 5.351 5.933 1.00 0.00 H new ATOM 0 HA LYS A 65 5.908 7.395 5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.134 7.550 7.079 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.187 8.921 5.988 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.577 9.927 7.175 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.466 8.631 6.777 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.438 8.422 9.068 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.785 7.356 8.722 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.151 9.682 8.895 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.790 10.105 9.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.425 9.165 11.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.225 7.975 11.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.675 7.840 10.273 1.00 0.00 H new ATOM 965 N ASP A 66 6.891 7.430 2.861 1.00 0.00 N ATOM 966 CA ASP A 66 7.357 7.797 1.528 1.00 0.00 C ATOM 967 C ASP A 66 6.180 8.023 0.584 1.00 0.00 C ATOM 968 O ASP A 66 6.056 7.355 -0.441 1.00 0.00 O ATOM 969 CB ASP A 66 8.275 6.708 0.968 1.00 0.00 C ATOM 970 CG ASP A 66 8.785 7.040 -0.421 1.00 0.00 C ATOM 971 OD1 ASP A 66 8.690 6.168 -1.311 1.00 0.00 O ATOM 972 OD2 ASP A 66 9.276 8.170 -0.619 1.00 0.00 O ATOM 0 H ASP A 66 5.996 6.941 2.875 1.00 0.00 H new ATOM 0 HA ASP A 66 7.918 8.728 1.609 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.122 6.570 1.640 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.735 5.762 0.937 1.00 0.00 H new ATOM 977 N GLY A 67 5.316 8.969 0.940 1.00 0.00 N ATOM 978 CA GLY A 67 4.160 9.266 0.114 1.00 0.00 C ATOM 979 C GLY A 67 3.444 8.013 -0.352 1.00 0.00 C ATOM 980 O GLY A 67 3.182 7.847 -1.542 1.00 0.00 O ATOM 0 H GLY A 67 5.396 9.535 1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.466 9.890 0.677 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.476 9.844 -0.754 1.00 0.00 H new ATOM 984 N SER A 68 3.127 7.130 0.590 1.00 0.00 N ATOM 985 CA SER A 68 2.443 5.883 0.267 1.00 0.00 C ATOM 986 C SER A 68 1.953 5.189 1.535 1.00 0.00 C ATOM 987 O SER A 68 0.884 5.509 2.058 1.00 0.00 O ATOM 988 CB SER A 68 3.374 4.951 -0.510 1.00 0.00 C ATOM 989 OG SER A 68 3.628 5.452 -1.811 1.00 0.00 O ATOM 0 H SER A 68 3.332 7.255 1.581 1.00 0.00 H new ATOM 0 HA SER A 68 1.580 6.122 -0.354 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.314 4.839 0.030 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.926 3.960 -0.580 1.00 0.00 H new ATOM 0 HG SER A 68 3.029 6.206 -1.994 1.00 0.00 H new ATOM 995 N LEU A 69 2.741 4.240 2.024 1.00 0.00 N ATOM 996 CA LEU A 69 2.390 3.500 3.231 1.00 0.00 C ATOM 997 C LEU A 69 3.542 2.604 3.676 1.00 0.00 C ATOM 998 O LEU A 69 4.631 2.649 3.105 1.00 0.00 O ATOM 999 CB LEU A 69 1.137 2.656 2.989 1.00 0.00 C ATOM 1000 CG LEU A 69 1.108 1.855 1.687 1.00 0.00 C ATOM 1001 CD1 LEU A 69 0.470 2.670 0.573 1.00 0.00 C ATOM 1002 CD2 LEU A 69 2.514 1.423 1.295 1.00 0.00 C ATOM 0 H LEU A 69 3.628 3.964 1.604 1.00 0.00 H new ATOM 0 HA LEU A 69 2.188 4.221 4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.025 1.962 3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.270 3.316 3.005 1.00 0.00 H new ATOM 0 HG LEU A 69 0.505 0.961 1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.458 2.084 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.552 2.929 0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.045 3.582 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.474 0.854 0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.139 2.304 1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.937 0.801 2.084 1.00 0.00 H new ATOM 1014 N GLN A 70 3.292 1.790 4.696 1.00 0.00 N ATOM 1015 CA GLN A 70 4.308 0.882 5.215 1.00 0.00 C ATOM 1016 C GLN A 70 3.767 -0.540 5.318 1.00 0.00 C ATOM 1017 O GLN A 70 2.555 -0.752 5.381 1.00 0.00 O ATOM 1018 CB GLN A 70 4.793 1.356 6.587 1.00 0.00 C ATOM 1019 CG GLN A 70 6.074 0.681 7.046 1.00 0.00 C ATOM 1020 CD GLN A 70 6.498 1.116 8.436 1.00 0.00 C ATOM 1021 OE1 GLN A 70 5.812 1.902 9.088 1.00 0.00 O ATOM 1022 NE2 GLN A 70 7.633 0.602 8.896 1.00 0.00 N ATOM 0 H GLN A 70 2.395 1.740 5.179 1.00 0.00 H new ATOM 0 HA GLN A 70 5.148 0.882 4.520 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.952 2.434 6.554 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.011 1.171 7.323 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.935 -0.400 7.035 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.873 0.907 6.339 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.170 -0.047 8.320 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.968 0.856 9.825 1.00 0.00 H new ATOM 1031 N CYS A 71 4.672 -1.513 5.334 1.00 0.00 N ATOM 1032 CA CYS A 71 4.287 -2.915 5.428 1.00 0.00 C ATOM 1033 C CYS A 71 4.178 -3.353 6.886 1.00 0.00 C ATOM 1034 O CYS A 71 5.170 -3.444 7.609 1.00 0.00 O ATOM 1035 CB CYS A 71 5.301 -3.795 4.694 1.00 0.00 C ATOM 1036 SG CYS A 71 5.185 -5.566 5.107 1.00 0.00 S ATOM 0 H CYS A 71 5.678 -1.355 5.283 1.00 0.00 H new ATOM 0 HA CYS A 71 3.310 -3.029 4.959 1.00 0.00 H new ATOM 0 HB2 CYS A 71 5.161 -3.673 3.620 1.00 0.00 H new ATOM 0 HB3 CYS A 71 6.306 -3.444 4.926 1.00 0.00 H new ATOM 0 HG CYS A 71 5.845 -6.261 4.229 1.00 0.00 H new ATOM 1041 N PRO A 72 2.943 -3.631 7.329 1.00 0.00 N ATOM 1042 CA PRO A 72 2.675 -4.066 8.704 1.00 0.00 C ATOM 1043 C PRO A 72 3.197 -5.471 8.980 1.00 0.00 C ATOM 1044 O PRO A 72 3.334 -5.876 10.135 1.00 0.00 O ATOM 1045 CB PRO A 72 1.146 -4.036 8.793 1.00 0.00 C ATOM 1046 CG PRO A 72 0.682 -4.213 7.389 1.00 0.00 C ATOM 1047 CD PRO A 72 1.713 -3.545 6.523 1.00 0.00 C ATOM 0 HA PRO A 72 3.171 -3.430 9.437 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.771 -4.831 9.437 1.00 0.00 H new ATOM 0 HB3 PRO A 72 0.792 -3.094 9.211 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.589 -5.270 7.139 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.300 -3.763 7.243 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.824 -4.053 5.565 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.446 -2.511 6.306 1.00 0.00 H new ATOM 1055 N SER A 73 3.488 -6.210 7.915 1.00 0.00 N ATOM 1056 CA SER A 73 3.992 -7.571 8.044 1.00 0.00 C ATOM 1057 C SER A 73 5.402 -7.576 8.626 1.00 0.00 C ATOM 1058 O SER A 73 5.592 -7.798 9.822 1.00 0.00 O ATOM 1059 CB SER A 73 3.988 -8.271 6.683 1.00 0.00 C ATOM 1060 OG SER A 73 3.132 -9.401 6.692 1.00 0.00 O ATOM 0 H SER A 73 3.383 -5.889 6.953 1.00 0.00 H new ATOM 0 HA SER A 73 3.334 -8.112 8.725 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.664 -7.572 5.912 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.001 -8.581 6.427 1.00 0.00 H new ATOM 0 HG SER A 73 3.146 -9.829 5.811 1.00 0.00 H new ATOM 1066 N CYS A 74 6.389 -7.330 7.770 1.00 0.00 N ATOM 1067 CA CYS A 74 7.783 -7.305 8.197 1.00 0.00 C ATOM 1068 C CYS A 74 8.261 -5.872 8.410 1.00 0.00 C ATOM 1069 O CYS A 74 9.441 -5.567 8.237 1.00 0.00 O ATOM 1070 CB CYS A 74 8.668 -8.001 7.161 1.00 0.00 C ATOM 1071 SG CYS A 74 8.858 -7.075 5.604 1.00 0.00 S ATOM 0 H CYS A 74 6.249 -7.145 6.777 1.00 0.00 H new ATOM 0 HA CYS A 74 7.856 -7.838 9.145 1.00 0.00 H new ATOM 0 HB2 CYS A 74 9.654 -8.168 7.595 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.247 -8.982 6.939 1.00 0.00 H new ATOM 0 HG CYS A 74 9.624 -7.742 4.793 1.00 0.00 H new ATOM 1076 N LYS A 75 7.337 -4.995 8.787 1.00 0.00 N ATOM 1077 CA LYS A 75 7.662 -3.595 9.027 1.00 0.00 C ATOM 1078 C LYS A 75 8.486 -3.023 7.878 1.00 0.00 C ATOM 1079 O LYS A 75 9.490 -2.345 8.096 1.00 0.00 O ATOM 1080 CB LYS A 75 8.430 -3.445 10.342 1.00 0.00 C ATOM 1081 CG LYS A 75 7.646 -3.907 11.559 1.00 0.00 C ATOM 1082 CD LYS A 75 6.498 -2.962 11.875 1.00 0.00 C ATOM 1083 CE LYS A 75 6.106 -3.033 13.343 1.00 0.00 C ATOM 1084 NZ LYS A 75 6.175 -1.699 14.000 1.00 0.00 N ATOM 0 H LYS A 75 6.355 -5.230 8.933 1.00 0.00 H new ATOM 0 HA LYS A 75 6.727 -3.038 9.094 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.357 -4.015 10.279 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.707 -2.399 10.474 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.255 -4.909 11.382 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.312 -3.972 12.419 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.786 -1.941 11.623 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.637 -3.213 11.255 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.094 -3.429 13.430 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.766 -3.728 13.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.901 -1.789 14.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.146 -1.332 13.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.526 -1.042 13.521 1.00 0.00 H new ATOM 1098 N THR A 76 8.055 -3.301 6.651 1.00 0.00 N ATOM 1099 CA THR A 76 8.753 -2.815 5.467 1.00 0.00 C ATOM 1100 C THR A 76 7.919 -1.777 4.725 1.00 0.00 C ATOM 1101 O THR A 76 8.469 -1.030 3.916 1.00 0.00 O ATOM 1102 CB THR A 76 9.094 -3.967 4.503 1.00 0.00 C ATOM 1103 OG1 THR A 76 10.251 -4.670 4.971 1.00 0.00 O ATOM 1104 CG2 THR A 76 9.347 -3.441 3.099 1.00 0.00 C ATOM 0 H THR A 76 7.226 -3.860 6.452 1.00 0.00 H new ATOM 0 HA THR A 76 9.679 -2.355 5.813 1.00 0.00 H new ATOM 0 HB THR A 76 8.244 -4.648 4.470 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.988 -5.559 5.287 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.586 -4.273 2.436 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.455 -2.932 2.735 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.182 -2.741 3.118 1.00 0.00 H new