USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 730 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 22 LYS NZ :NH3+ -144:sc= -0.433 (180deg=-0.908) USER MOD Set 1.2: A 76 MET CE :methyl -165:sc= -0.875 (180deg=-1.48) USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.0386) USER MOD Single : A 1 MET N :NH3+ -162:sc= 0.175 (180deg=0.107) USER MOD Single : A 14 ASN : amide:sc=-0.00337 K(o=-0.0034,f=-0.67) USER MOD Single : A 16 THR OG1 : rot -78:sc= 1.27 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -167:sc= 1.28 (180deg=0.907) USER MOD Single : A 26 LYS NZ :NH3+ 176:sc= 1.19 (180deg=1.17) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -66:sc= 0.232 USER MOD Single : A 46 SER OG : rot -33:sc= 1.15 USER MOD Single : A 47 MET CE :methyl 179:sc= -1.38 (180deg=-1.41) USER MOD Single : A 53 THR OG1 : rot 86:sc= 1.2 USER MOD Single : A 55 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.194) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 40:sc= 1.31 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 77:sc= 1.23 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 79 GLN : amide:sc= 1.04 K(o=1,f=-0.014) USER MOD Single : A 81 MET CE :methyl 180:sc= -0.0299 (180deg=-0.0299) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 84:sc= 1.16 USER MOD Single : A 90 HIS : no HD1:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.486 16.597 -0.930 1.00 1.00 N ATOM 2 CA MET A 1 -6.068 15.571 -0.053 1.00 1.00 C ATOM 3 C MET A 1 -7.405 15.129 -0.632 1.00 1.00 C ATOM 4 O MET A 1 -8.032 15.887 -1.372 1.00 1.00 O ATOM 5 CB MET A 1 -6.164 16.079 1.392 1.00 1.00 C ATOM 6 CG MET A 1 -6.475 14.953 2.383 1.00 1.00 C ATOM 7 SD MET A 1 -6.363 15.423 4.128 1.00 1.00 S ATOM 8 CE MET A 1 -4.574 15.571 4.353 1.00 1.00 C ATOM 0 H1 MET A 1 -4.469 16.687 -0.732 1.00 1.00 H new ATOM 0 H2 MET A 1 -5.622 16.322 -1.924 1.00 1.00 H new ATOM 0 H3 MET A 1 -5.955 17.509 -0.756 1.00 1.00 H new ATOM 0 HA MET A 1 -5.422 14.694 -0.011 1.00 1.00 H new ATOM 0 HB2 MET A 1 -5.224 16.556 1.670 1.00 1.00 H new ATOM 0 HB3 MET A 1 -6.940 16.842 1.456 1.00 1.00 H new ATOM 0 HG2 MET A 1 -7.481 14.582 2.185 1.00 1.00 H new ATOM 0 HG3 MET A 1 -5.788 14.127 2.199 1.00 1.00 H new ATOM 0 HE1 MET A 1 -4.352 15.733 5.408 1.00 1.00 H new ATOM 0 HE2 MET A 1 -4.088 14.655 4.016 1.00 1.00 H new ATOM 0 HE3 MET A 1 -4.203 16.414 3.771 1.00 1.00 H new ATOM 20 N GLY A 2 -7.838 13.901 -0.352 1.00 1.00 N ATOM 21 CA GLY A 2 -9.069 13.341 -0.881 1.00 1.00 C ATOM 22 C GLY A 2 -9.155 11.868 -0.499 1.00 1.00 C ATOM 23 O GLY A 2 -8.272 11.355 0.200 1.00 1.00 O ATOM 0 H GLY A 2 -7.331 13.261 0.259 1.00 1.00 H new ATOM 0 HA2 GLY A 2 -9.928 13.882 -0.485 1.00 1.00 H new ATOM 0 HA3 GLY A 2 -9.096 13.450 -1.965 1.00 1.00 H new ATOM 27 N ARG A 3 -10.170 11.177 -1.030 1.00 1.00 N ATOM 28 CA ARG A 3 -10.447 9.756 -0.804 1.00 1.00 C ATOM 29 C ARG A 3 -9.253 8.859 -1.061 1.00 1.00 C ATOM 30 O ARG A 3 -9.292 7.739 -0.595 1.00 1.00 O ATOM 31 CB ARG A 3 -11.595 9.251 -1.683 1.00 1.00 C ATOM 32 CG ARG A 3 -12.994 9.778 -1.327 1.00 1.00 C ATOM 33 CD ARG A 3 -13.694 10.518 -2.476 1.00 1.00 C ATOM 34 NE ARG A 3 -13.363 11.952 -2.481 1.00 1.00 N ATOM 35 CZ ARG A 3 -12.327 12.555 -3.067 1.00 1.00 C ATOM 36 NH1 ARG A 3 -11.476 11.871 -3.825 1.00 1.00 N ATOM 37 NH2 ARG A 3 -12.110 13.839 -2.844 1.00 1.00 N ATOM 0 H ARG A 3 -10.849 11.612 -1.655 1.00 1.00 H new ATOM 0 HA ARG A 3 -10.714 9.699 0.251 1.00 1.00 H new ATOM 0 HB2 ARG A 3 -11.380 9.518 -2.718 1.00 1.00 H new ATOM 0 HB3 ARG A 3 -11.614 8.162 -1.632 1.00 1.00 H new ATOM 0 HG2 ARG A 3 -13.618 8.941 -1.015 1.00 1.00 H new ATOM 0 HG3 ARG A 3 -12.911 10.450 -0.473 1.00 1.00 H new ATOM 0 HD2 ARG A 3 -13.401 10.074 -3.427 1.00 1.00 H new ATOM 0 HD3 ARG A 3 -14.773 10.394 -2.385 1.00 1.00 H new ATOM 0 HE ARG A 3 -14.005 12.560 -1.973 1.00 1.00 H new ATOM 0 HH11 ARG A 3 -11.610 10.870 -3.966 1.00 1.00 H new ATOM 0 HH12 ARG A 3 -10.689 12.347 -4.266 1.00 1.00 H new ATOM 0 HH21 ARG A 3 -12.732 14.362 -2.228 1.00 1.00 H new ATOM 0 HH22 ARG A 3 -11.320 14.307 -3.288 1.00 1.00 H new ATOM 51 N ALA A 4 -8.223 9.305 -1.781 1.00 1.00 N ATOM 52 CA ALA A 4 -7.001 8.532 -1.965 1.00 1.00 C ATOM 53 C ALA A 4 -6.526 7.997 -0.617 1.00 1.00 C ATOM 54 O ALA A 4 -6.403 6.790 -0.416 1.00 1.00 O ATOM 55 CB ALA A 4 -5.912 9.407 -2.601 1.00 1.00 C ATOM 0 H ALA A 4 -8.215 10.210 -2.251 1.00 1.00 H new ATOM 0 HA ALA A 4 -7.205 7.693 -2.631 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -5.004 8.819 -2.734 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -6.255 9.768 -3.571 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -5.702 10.257 -1.951 1.00 1.00 H new ATOM 61 N ARG A 5 -6.283 8.916 0.320 1.00 1.00 N ATOM 62 CA ARG A 5 -5.732 8.550 1.611 1.00 1.00 C ATOM 63 C ARG A 5 -6.715 7.669 2.356 1.00 1.00 C ATOM 64 O ARG A 5 -6.339 6.624 2.866 1.00 1.00 O ATOM 65 CB ARG A 5 -5.459 9.775 2.488 1.00 1.00 C ATOM 66 CG ARG A 5 -4.898 11.028 1.800 1.00 1.00 C ATOM 67 CD ARG A 5 -4.134 11.889 2.827 1.00 1.00 C ATOM 68 NE ARG A 5 -4.840 11.937 4.126 1.00 1.00 N ATOM 69 CZ ARG A 5 -4.336 11.510 5.293 1.00 1.00 C ATOM 70 NH1 ARG A 5 -3.026 11.481 5.492 1.00 1.00 N ATOM 71 NH2 ARG A 5 -5.143 11.066 6.251 1.00 1.00 N ATOM 0 H ARG A 5 -6.461 9.913 0.202 1.00 1.00 H new ATOM 0 HA ARG A 5 -4.794 8.030 1.419 1.00 1.00 H new ATOM 0 HB2 ARG A 5 -6.391 10.051 2.981 1.00 1.00 H new ATOM 0 HB3 ARG A 5 -4.760 9.480 3.271 1.00 1.00 H new ATOM 0 HG2 ARG A 5 -4.233 10.740 0.986 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -5.710 11.606 1.359 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -3.133 11.483 2.971 1.00 1.00 H new ATOM 0 HD3 ARG A 5 -4.015 12.901 2.439 1.00 1.00 H new ATOM 0 HE ARG A 5 -5.783 12.325 4.135 1.00 1.00 H new ATOM 0 HH11 ARG A 5 -2.391 11.785 4.754 1.00 1.00 H new ATOM 0 HH12 ARG A 5 -2.653 11.154 6.383 1.00 1.00 H new ATOM 0 HH21 ARG A 5 -6.152 11.049 6.101 1.00 1.00 H new ATOM 0 HH22 ARG A 5 -4.754 10.742 7.137 1.00 1.00 H new ATOM 85 N ASP A 6 -7.971 8.105 2.386 1.00 1.00 N ATOM 86 CA ASP A 6 -9.017 7.457 3.150 1.00 1.00 C ATOM 87 C ASP A 6 -9.192 6.033 2.671 1.00 1.00 C ATOM 88 O ASP A 6 -9.206 5.122 3.480 1.00 1.00 O ATOM 89 CB ASP A 6 -10.332 8.227 3.028 1.00 1.00 C ATOM 90 CG ASP A 6 -10.311 9.642 3.601 1.00 1.00 C ATOM 91 OD1 ASP A 6 -9.230 10.170 3.945 1.00 1.00 O ATOM 92 OD2 ASP A 6 -11.401 10.258 3.650 1.00 1.00 O ATOM 0 H ASP A 6 -8.288 8.927 1.873 1.00 1.00 H new ATOM 0 HA ASP A 6 -8.728 7.446 4.201 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -10.606 8.283 1.974 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -11.115 7.660 3.531 1.00 1.00 H new ATOM 97 N ALA A 7 -9.267 5.822 1.361 1.00 1.00 N ATOM 98 CA ALA A 7 -9.435 4.523 0.757 1.00 1.00 C ATOM 99 C ALA A 7 -8.228 3.632 1.031 1.00 1.00 C ATOM 100 O ALA A 7 -8.437 2.435 1.240 1.00 1.00 O ATOM 101 CB ALA A 7 -9.699 4.693 -0.740 1.00 1.00 C ATOM 0 H ALA A 7 -9.210 6.578 0.678 1.00 1.00 H new ATOM 0 HA ALA A 7 -10.295 4.023 1.202 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -9.827 3.713 -1.201 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -10.604 5.283 -0.885 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -8.855 5.204 -1.203 1.00 1.00 H new ATOM 107 N ILE A 8 -6.996 4.169 1.015 1.00 1.00 N ATOM 108 CA ILE A 8 -5.815 3.383 1.388 1.00 1.00 C ATOM 109 C ILE A 8 -6.018 2.951 2.842 1.00 1.00 C ATOM 110 O ILE A 8 -5.993 1.757 3.114 1.00 1.00 O ATOM 111 CB ILE A 8 -4.488 4.163 1.169 1.00 1.00 C ATOM 112 CG1 ILE A 8 -4.297 4.497 -0.329 1.00 1.00 C ATOM 113 CG2 ILE A 8 -3.236 3.435 1.676 1.00 1.00 C ATOM 114 CD1 ILE A 8 -3.427 5.741 -0.545 1.00 1.00 C ATOM 0 H ILE A 8 -6.796 5.134 0.750 1.00 1.00 H new ATOM 0 HA ILE A 8 -5.717 2.508 0.745 1.00 1.00 H new ATOM 0 HB ILE A 8 -4.591 5.071 1.763 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -3.840 3.645 -0.833 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -5.272 4.654 -0.790 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -2.356 4.048 1.484 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.327 3.257 2.747 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.134 2.482 1.157 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -3.324 5.932 -1.613 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -3.896 6.601 -0.066 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.442 5.576 -0.109 1.00 1.00 H new ATOM 126 N LEU A 9 -6.278 3.886 3.759 1.00 1.00 N ATOM 127 CA LEU A 9 -6.381 3.618 5.192 1.00 1.00 C ATOM 128 C LEU A 9 -7.489 2.589 5.428 1.00 1.00 C ATOM 129 O LEU A 9 -7.260 1.584 6.096 1.00 1.00 O ATOM 130 CB LEU A 9 -6.635 4.947 5.930 1.00 1.00 C ATOM 131 CG LEU A 9 -6.259 4.969 7.417 1.00 1.00 C ATOM 132 CD1 LEU A 9 -6.210 6.418 7.922 1.00 1.00 C ATOM 133 CD2 LEU A 9 -7.219 4.177 8.272 1.00 1.00 C ATOM 0 H LEU A 9 -6.425 4.867 3.520 1.00 1.00 H new ATOM 0 HA LEU A 9 -5.456 3.196 5.585 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -6.078 5.735 5.422 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -7.693 5.195 5.839 1.00 1.00 H new ATOM 0 HG LEU A 9 -5.278 4.501 7.503 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -5.942 6.426 8.979 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -5.465 6.976 7.355 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -7.188 6.882 7.792 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -6.904 4.227 9.314 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -8.221 4.594 8.175 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -7.225 3.137 7.945 1.00 1.00 H new ATOM 145 N ASP A 10 -8.655 2.796 4.809 1.00 1.00 N ATOM 146 CA ASP A 10 -9.829 1.935 4.869 1.00 1.00 C ATOM 147 C ASP A 10 -9.442 0.524 4.425 1.00 1.00 C ATOM 148 O ASP A 10 -9.848 -0.452 5.060 1.00 1.00 O ATOM 149 CB ASP A 10 -10.961 2.437 3.944 1.00 1.00 C ATOM 150 CG ASP A 10 -11.656 3.754 4.314 1.00 1.00 C ATOM 151 OD1 ASP A 10 -11.601 4.203 5.480 1.00 1.00 O ATOM 152 OD2 ASP A 10 -12.362 4.308 3.435 1.00 1.00 O ATOM 0 H ASP A 10 -8.809 3.615 4.221 1.00 1.00 H new ATOM 0 HA ASP A 10 -10.190 1.943 5.897 1.00 1.00 H new ATOM 0 HB2 ASP A 10 -10.550 2.546 2.940 1.00 1.00 H new ATOM 0 HB3 ASP A 10 -11.723 1.659 3.894 1.00 1.00 H new ATOM 157 N ALA A 11 -8.670 0.404 3.339 1.00 1.00 N ATOM 158 CA ALA A 11 -8.204 -0.864 2.806 1.00 1.00 C ATOM 159 C ALA A 11 -7.240 -1.542 3.772 1.00 1.00 C ATOM 160 O ALA A 11 -7.469 -2.698 4.115 1.00 1.00 O ATOM 161 CB ALA A 11 -7.566 -0.679 1.424 1.00 1.00 C ATOM 0 H ALA A 11 -8.349 1.209 2.800 1.00 1.00 H new ATOM 0 HA ALA A 11 -9.069 -1.516 2.688 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -7.226 -1.644 1.048 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -8.301 -0.261 0.737 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -6.717 -0.001 1.503 1.00 1.00 H new ATOM 167 N LEU A 12 -6.185 -0.851 4.219 1.00 1.00 N ATOM 168 CA LEU A 12 -5.221 -1.387 5.180 1.00 1.00 C ATOM 169 C LEU A 12 -5.937 -1.884 6.438 1.00 1.00 C ATOM 170 O LEU A 12 -5.622 -2.952 6.947 1.00 1.00 O ATOM 171 CB LEU A 12 -4.144 -0.370 5.577 1.00 1.00 C ATOM 172 CG LEU A 12 -2.943 -0.157 4.670 1.00 1.00 C ATOM 173 CD1 LEU A 12 -2.061 -1.396 4.504 1.00 1.00 C ATOM 174 CD2 LEU A 12 -3.327 0.402 3.326 1.00 1.00 C ATOM 0 H LEU A 12 -5.977 0.102 3.921 1.00 1.00 H new ATOM 0 HA LEU A 12 -4.721 -2.217 4.681 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -4.636 0.595 5.699 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -3.765 -0.661 6.557 1.00 1.00 H new ATOM 0 HG LEU A 12 -2.340 0.587 5.190 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -1.226 -1.163 3.843 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -1.678 -1.703 5.477 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -2.649 -2.206 4.073 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -2.432 0.535 2.718 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -4.007 -0.288 2.826 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -3.821 1.365 3.460 1.00 1.00 H new ATOM 186 N GLU A 13 -6.903 -1.115 6.935 1.00 1.00 N ATOM 187 CA GLU A 13 -7.751 -1.473 8.060 1.00 1.00 C ATOM 188 C GLU A 13 -8.580 -2.720 7.766 1.00 1.00 C ATOM 189 O GLU A 13 -8.789 -3.526 8.673 1.00 1.00 O ATOM 190 CB GLU A 13 -8.624 -0.290 8.498 1.00 1.00 C ATOM 191 CG GLU A 13 -7.851 0.713 9.357 1.00 1.00 C ATOM 192 CD GLU A 13 -7.536 0.159 10.747 1.00 1.00 C ATOM 193 OE1 GLU A 13 -6.512 -0.537 10.922 1.00 1.00 O ATOM 194 OE2 GLU A 13 -8.310 0.420 11.696 1.00 1.00 O ATOM 0 H GLU A 13 -7.121 -0.196 6.550 1.00 1.00 H new ATOM 0 HA GLU A 13 -7.100 -1.720 8.899 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -9.016 0.216 7.616 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -9.481 -0.662 9.059 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -6.921 0.979 8.854 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -8.433 1.629 9.456 1.00 1.00 H new ATOM 201 N ASN A 14 -9.164 -2.849 6.571 1.00 1.00 N ATOM 202 CA ASN A 14 -9.889 -4.044 6.154 1.00 1.00 C ATOM 203 C ASN A 14 -8.985 -5.270 6.007 1.00 1.00 C ATOM 204 O ASN A 14 -9.505 -6.386 6.071 1.00 1.00 O ATOM 205 CB ASN A 14 -10.628 -3.789 4.831 1.00 1.00 C ATOM 206 CG ASN A 14 -11.952 -3.059 5.000 1.00 1.00 C ATOM 207 OD1 ASN A 14 -12.304 -2.576 6.072 1.00 1.00 O ATOM 208 ND2 ASN A 14 -12.751 -2.967 3.953 1.00 1.00 N ATOM 0 H ASN A 14 -9.144 -2.117 5.861 1.00 1.00 H new ATOM 0 HA ASN A 14 -10.605 -4.261 6.946 1.00 1.00 H new ATOM 0 HB2 ASN A 14 -9.984 -3.207 4.172 1.00 1.00 H new ATOM 0 HB3 ASN A 14 -10.810 -4.743 4.337 1.00 1.00 H new ATOM 0 HD21 ASN A 14 -13.652 -2.497 4.039 1.00 1.00 H new ATOM 0 HD22 ASN A 14 -12.467 -3.365 3.058 1.00 1.00 H new ATOM 215 N LEU A 15 -7.660 -5.114 5.887 1.00 1.00 N ATOM 216 CA LEU A 15 -6.762 -6.239 5.693 1.00 1.00 C ATOM 217 C LEU A 15 -6.460 -6.845 7.054 1.00 1.00 C ATOM 218 O LEU A 15 -6.545 -6.190 8.100 1.00 1.00 O ATOM 219 CB LEU A 15 -5.422 -5.778 5.081 1.00 1.00 C ATOM 220 CG LEU A 15 -5.411 -5.384 3.595 1.00 1.00 C ATOM 221 CD1 LEU A 15 -3.981 -5.108 3.126 1.00 1.00 C ATOM 222 CD2 LEU A 15 -5.996 -6.485 2.713 1.00 1.00 C ATOM 0 H LEU A 15 -7.192 -4.208 5.922 1.00 1.00 H new ATOM 0 HA LEU A 15 -7.238 -6.954 5.022 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -5.067 -4.923 5.657 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -4.697 -6.580 5.220 1.00 1.00 H new ATOM 0 HG LEU A 15 -6.024 -4.487 3.502 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -3.991 -4.830 2.072 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -3.557 -4.293 3.712 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -3.375 -6.004 3.259 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -5.970 -6.168 1.670 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -5.408 -7.396 2.830 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -7.027 -6.678 3.008 1.00 1.00 H new ATOM 234 N THR A 16 -6.067 -8.108 7.041 1.00 1.00 N ATOM 235 CA THR A 16 -5.710 -8.832 8.248 1.00 1.00 C ATOM 236 C THR A 16 -4.211 -8.727 8.467 1.00 1.00 C ATOM 237 O THR A 16 -3.477 -8.351 7.556 1.00 1.00 O ATOM 238 CB THR A 16 -6.170 -10.291 8.120 1.00 1.00 C ATOM 239 OG1 THR A 16 -5.717 -10.904 6.920 1.00 1.00 O ATOM 240 CG2 THR A 16 -7.691 -10.388 8.161 1.00 1.00 C ATOM 0 H THR A 16 -5.987 -8.662 6.188 1.00 1.00 H new ATOM 0 HA THR A 16 -6.208 -8.401 9.116 1.00 1.00 H new ATOM 0 HB THR A 16 -5.732 -10.817 8.968 1.00 1.00 H new ATOM 0 HG1 THR A 16 -6.279 -10.613 6.172 1.00 1.00 H new ATOM 0 HG21 THR A 16 -7.992 -11.432 8.068 1.00 1.00 H new ATOM 0 HG22 THR A 16 -8.056 -9.988 9.107 1.00 1.00 H new ATOM 0 HG23 THR A 16 -8.115 -9.814 7.337 1.00 1.00 H new ATOM 248 N ALA A 17 -3.728 -9.087 9.657 1.00 1.00 N ATOM 249 CA ALA A 17 -2.313 -9.022 9.981 1.00 1.00 C ATOM 250 C ALA A 17 -1.481 -9.836 8.984 1.00 1.00 C ATOM 251 O ALA A 17 -0.352 -9.463 8.670 1.00 1.00 O ATOM 252 CB ALA A 17 -2.112 -9.543 11.404 1.00 1.00 C ATOM 0 H ALA A 17 -4.312 -9.431 10.420 1.00 1.00 H new ATOM 0 HA ALA A 17 -1.975 -7.988 9.916 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -1.054 -9.500 11.661 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -2.680 -8.927 12.101 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.459 -10.574 11.466 1.00 1.00 H new ATOM 258 N GLU A 18 -2.018 -10.952 8.495 1.00 1.00 N ATOM 259 CA GLU A 18 -1.349 -11.858 7.570 1.00 1.00 C ATOM 260 C GLU A 18 -1.207 -11.188 6.194 1.00 1.00 C ATOM 261 O GLU A 18 -0.134 -11.172 5.585 1.00 1.00 O ATOM 262 CB GLU A 18 -2.180 -13.151 7.540 1.00 1.00 C ATOM 263 CG GLU A 18 -1.404 -14.375 7.053 1.00 1.00 C ATOM 264 CD GLU A 18 -1.045 -14.355 5.572 1.00 1.00 C ATOM 265 OE1 GLU A 18 -1.972 -14.326 4.726 1.00 1.00 O ATOM 266 OE2 GLU A 18 0.165 -14.500 5.279 1.00 1.00 O ATOM 0 H GLU A 18 -2.960 -11.258 8.740 1.00 1.00 H new ATOM 0 HA GLU A 18 -0.334 -12.100 7.883 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -2.561 -13.350 8.542 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -3.045 -13.001 6.894 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -0.486 -14.461 7.634 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -1.995 -15.268 7.257 1.00 1.00 H new ATOM 273 N GLU A 19 -2.281 -10.562 5.715 1.00 1.00 N ATOM 274 CA GLU A 19 -2.250 -9.807 4.472 1.00 1.00 C ATOM 275 C GLU A 19 -1.336 -8.595 4.633 1.00 1.00 C ATOM 276 O GLU A 19 -0.518 -8.331 3.762 1.00 1.00 O ATOM 277 CB GLU A 19 -3.663 -9.372 4.086 1.00 1.00 C ATOM 278 CG GLU A 19 -4.530 -10.571 3.684 1.00 1.00 C ATOM 279 CD GLU A 19 -6.014 -10.215 3.672 1.00 1.00 C ATOM 280 OE1 GLU A 19 -6.509 -9.728 4.715 1.00 1.00 O ATOM 281 OE2 GLU A 19 -6.685 -10.496 2.653 1.00 1.00 O ATOM 0 H GLU A 19 -3.190 -10.566 6.177 1.00 1.00 H new ATOM 0 HA GLU A 19 -1.858 -10.438 3.674 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.126 -8.851 4.924 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -3.614 -8.664 3.259 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -4.232 -10.921 2.696 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -4.359 -11.393 4.379 1.00 1.00 H new ATOM 288 N LEU A 20 -1.423 -7.879 5.753 1.00 1.00 N ATOM 289 CA LEU A 20 -0.583 -6.727 6.040 1.00 1.00 C ATOM 290 C LEU A 20 0.886 -7.121 6.039 1.00 1.00 C ATOM 291 O LEU A 20 1.694 -6.400 5.462 1.00 1.00 O ATOM 292 CB LEU A 20 -0.995 -6.062 7.364 1.00 1.00 C ATOM 293 CG LEU A 20 -2.311 -5.264 7.274 1.00 1.00 C ATOM 294 CD1 LEU A 20 -2.621 -4.601 8.609 1.00 1.00 C ATOM 295 CD2 LEU A 20 -2.196 -4.136 6.252 1.00 1.00 C ATOM 0 H LEU A 20 -2.090 -8.090 6.495 1.00 1.00 H new ATOM 0 HA LEU A 20 -0.726 -5.990 5.250 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -1.098 -6.831 8.130 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -0.197 -5.394 7.689 1.00 1.00 H new ATOM 0 HG LEU A 20 -3.091 -5.970 6.988 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -3.553 -4.041 8.530 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -2.721 -5.365 9.380 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -1.811 -3.921 8.874 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -3.137 -3.588 6.207 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -1.395 -3.458 6.547 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -1.973 -4.555 5.271 1.00 1.00 H new ATOM 307 N LYS A 21 1.244 -8.263 6.625 1.00 1.00 N ATOM 308 CA LYS A 21 2.600 -8.799 6.594 1.00 1.00 C ATOM 309 C LYS A 21 3.033 -8.918 5.140 1.00 1.00 C ATOM 310 O LYS A 21 4.064 -8.360 4.752 1.00 1.00 O ATOM 311 CB LYS A 21 2.586 -10.171 7.276 1.00 1.00 C ATOM 312 CG LYS A 21 3.921 -10.923 7.324 1.00 1.00 C ATOM 313 CD LYS A 21 5.019 -10.212 8.122 1.00 1.00 C ATOM 314 CE LYS A 21 6.198 -11.173 8.305 1.00 1.00 C ATOM 315 NZ LYS A 21 7.380 -10.503 8.881 1.00 1.00 N ATOM 0 H LYS A 21 0.588 -8.849 7.142 1.00 1.00 H new ATOM 0 HA LYS A 21 3.301 -8.150 7.118 1.00 1.00 H new ATOM 0 HB2 LYS A 21 2.231 -10.041 8.298 1.00 1.00 H new ATOM 0 HB3 LYS A 21 1.858 -10.800 6.763 1.00 1.00 H new ATOM 0 HG2 LYS A 21 3.754 -11.909 7.758 1.00 1.00 H new ATOM 0 HG3 LYS A 21 4.273 -11.079 6.304 1.00 1.00 H new ATOM 0 HD2 LYS A 21 5.343 -9.312 7.599 1.00 1.00 H new ATOM 0 HD3 LYS A 21 4.636 -9.896 9.092 1.00 1.00 H new ATOM 0 HE2 LYS A 21 5.897 -11.995 8.954 1.00 1.00 H new ATOM 0 HE3 LYS A 21 6.463 -11.608 7.341 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 8.152 -11.192 8.987 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 7.685 -9.735 8.250 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 7.137 -10.110 9.813 1.00 1.00 H new ATOM 329 N LYS A 22 2.237 -9.627 4.333 1.00 1.00 N ATOM 330 CA LYS A 22 2.560 -9.822 2.931 1.00 1.00 C ATOM 331 C LYS A 22 2.650 -8.487 2.194 1.00 1.00 C ATOM 332 O LYS A 22 3.609 -8.326 1.450 1.00 1.00 O ATOM 333 CB LYS A 22 1.576 -10.803 2.287 1.00 1.00 C ATOM 334 CG LYS A 22 1.896 -12.242 2.707 1.00 1.00 C ATOM 335 CD LYS A 22 1.049 -13.304 2.000 1.00 1.00 C ATOM 336 CE LYS A 22 -0.415 -13.272 2.440 1.00 1.00 C ATOM 337 NZ LYS A 22 -1.247 -12.328 1.669 1.00 1.00 N ATOM 0 H LYS A 22 1.369 -10.071 4.633 1.00 1.00 H new ATOM 0 HA LYS A 22 3.549 -10.273 2.854 1.00 1.00 H new ATOM 0 HB2 LYS A 22 0.557 -10.551 2.581 1.00 1.00 H new ATOM 0 HB3 LYS A 22 1.625 -10.716 1.202 1.00 1.00 H new ATOM 0 HG2 LYS A 22 2.949 -12.441 2.508 1.00 1.00 H new ATOM 0 HG3 LYS A 22 1.752 -12.335 3.783 1.00 1.00 H new ATOM 0 HD2 LYS A 22 1.105 -13.151 0.922 1.00 1.00 H new ATOM 0 HD3 LYS A 22 1.465 -14.291 2.203 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -0.835 -14.273 2.346 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -0.462 -13.005 3.496 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -1.953 -11.894 2.298 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -0.643 -11.586 1.262 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -1.732 -12.838 0.904 1.00 1.00 H new ATOM 351 N PHE A 23 1.742 -7.529 2.397 1.00 1.00 N ATOM 352 CA PHE A 23 1.754 -6.206 1.765 1.00 1.00 C ATOM 353 C PHE A 23 3.062 -5.491 2.078 1.00 1.00 C ATOM 354 O PHE A 23 3.791 -5.066 1.181 1.00 1.00 O ATOM 355 CB PHE A 23 0.564 -5.372 2.274 1.00 1.00 C ATOM 356 CG PHE A 23 0.472 -3.959 1.713 1.00 1.00 C ATOM 357 CD1 PHE A 23 -0.044 -3.739 0.420 1.00 1.00 C ATOM 358 CD2 PHE A 23 0.880 -2.853 2.488 1.00 1.00 C ATOM 359 CE1 PHE A 23 -0.167 -2.432 -0.088 1.00 1.00 C ATOM 360 CE2 PHE A 23 0.738 -1.548 1.981 1.00 1.00 C ATOM 361 CZ PHE A 23 0.223 -1.334 0.694 1.00 1.00 C ATOM 0 H PHE A 23 0.951 -7.657 3.028 1.00 1.00 H new ATOM 0 HA PHE A 23 1.667 -6.327 0.685 1.00 1.00 H new ATOM 0 HB2 PHE A 23 -0.358 -5.901 2.034 1.00 1.00 H new ATOM 0 HB3 PHE A 23 0.623 -5.311 3.361 1.00 1.00 H new ATOM 0 HD1 PHE A 23 -0.347 -4.580 -0.186 1.00 1.00 H new ATOM 0 HD2 PHE A 23 1.301 -3.008 3.470 1.00 1.00 H new ATOM 0 HE1 PHE A 23 -0.562 -2.274 -1.081 1.00 1.00 H new ATOM 0 HE2 PHE A 23 1.028 -0.703 2.588 1.00 1.00 H new ATOM 0 HZ PHE A 23 0.127 -0.330 0.307 1.00 1.00 H new ATOM 371 N LYS A 24 3.369 -5.380 3.369 1.00 1.00 N ATOM 372 CA LYS A 24 4.546 -4.706 3.880 1.00 1.00 C ATOM 373 C LYS A 24 5.826 -5.346 3.325 1.00 1.00 C ATOM 374 O LYS A 24 6.815 -4.647 3.126 1.00 1.00 O ATOM 375 CB LYS A 24 4.461 -4.701 5.410 1.00 1.00 C ATOM 376 CG LYS A 24 3.305 -3.822 5.953 1.00 1.00 C ATOM 377 CD LYS A 24 3.016 -4.103 7.438 1.00 1.00 C ATOM 378 CE LYS A 24 1.802 -3.328 7.974 1.00 1.00 C ATOM 379 NZ LYS A 24 2.062 -1.880 8.123 1.00 1.00 N ATOM 0 H LYS A 24 2.782 -5.771 4.106 1.00 1.00 H new ATOM 0 HA LYS A 24 4.586 -3.670 3.545 1.00 1.00 H new ATOM 0 HB2 LYS A 24 4.329 -5.723 5.764 1.00 1.00 H new ATOM 0 HB3 LYS A 24 5.405 -4.342 5.819 1.00 1.00 H new ATOM 0 HG2 LYS A 24 3.559 -2.770 5.826 1.00 1.00 H new ATOM 0 HG3 LYS A 24 2.404 -4.005 5.367 1.00 1.00 H new ATOM 0 HD2 LYS A 24 2.846 -5.171 7.573 1.00 1.00 H new ATOM 0 HD3 LYS A 24 3.895 -3.843 8.028 1.00 1.00 H new ATOM 0 HE2 LYS A 24 0.958 -3.473 7.299 1.00 1.00 H new ATOM 0 HE3 LYS A 24 1.512 -3.741 8.940 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 1.302 -1.447 8.686 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 2.973 -1.739 8.605 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 2.094 -1.435 7.184 1.00 1.00 H new ATOM 393 N LEU A 25 5.834 -6.656 3.062 1.00 1.00 N ATOM 394 CA LEU A 25 6.954 -7.338 2.422 1.00 1.00 C ATOM 395 C LEU A 25 6.924 -7.170 0.908 1.00 1.00 C ATOM 396 O LEU A 25 8.001 -7.035 0.334 1.00 1.00 O ATOM 397 CB LEU A 25 6.961 -8.832 2.798 1.00 1.00 C ATOM 398 CG LEU A 25 7.604 -9.063 4.174 1.00 1.00 C ATOM 399 CD1 LEU A 25 7.111 -10.337 4.860 1.00 1.00 C ATOM 400 CD2 LEU A 25 9.124 -9.159 4.009 1.00 1.00 C ATOM 0 H LEU A 25 5.056 -7.274 3.290 1.00 1.00 H new ATOM 0 HA LEU A 25 7.872 -6.878 2.787 1.00 1.00 H new ATOM 0 HB2 LEU A 25 5.939 -9.211 2.804 1.00 1.00 H new ATOM 0 HB3 LEU A 25 7.506 -9.396 2.041 1.00 1.00 H new ATOM 0 HG LEU A 25 7.320 -8.219 4.802 1.00 1.00 H new ATOM 0 HD11 LEU A 25 7.603 -10.443 5.827 1.00 1.00 H new ATOM 0 HD12 LEU A 25 6.032 -10.278 5.006 1.00 1.00 H new ATOM 0 HD13 LEU A 25 7.346 -11.200 4.237 1.00 1.00 H new ATOM 0 HD21 LEU A 25 9.586 -9.323 4.983 1.00 1.00 H new ATOM 0 HD22 LEU A 25 9.366 -9.991 3.348 1.00 1.00 H new ATOM 0 HD23 LEU A 25 9.503 -8.232 3.579 1.00 1.00 H new ATOM 412 N LYS A 26 5.759 -7.140 0.247 1.00 1.00 N ATOM 413 CA LYS A 26 5.663 -6.911 -1.196 1.00 1.00 C ATOM 414 C LYS A 26 6.254 -5.554 -1.542 1.00 1.00 C ATOM 415 O LYS A 26 6.988 -5.464 -2.526 1.00 1.00 O ATOM 416 CB LYS A 26 4.224 -7.018 -1.733 1.00 1.00 C ATOM 417 CG LYS A 26 3.657 -8.434 -1.912 1.00 1.00 C ATOM 418 CD LYS A 26 4.557 -9.368 -2.728 1.00 1.00 C ATOM 419 CE LYS A 26 3.797 -10.659 -3.044 1.00 1.00 C ATOM 420 NZ LYS A 26 4.430 -11.386 -4.154 1.00 1.00 N ATOM 0 H LYS A 26 4.856 -7.275 0.702 1.00 1.00 H new ATOM 0 HA LYS A 26 6.233 -7.703 -1.682 1.00 1.00 H new ATOM 0 HB2 LYS A 26 3.567 -6.472 -1.056 1.00 1.00 H new ATOM 0 HB3 LYS A 26 4.182 -6.511 -2.697 1.00 1.00 H new ATOM 0 HG2 LYS A 26 3.490 -8.874 -0.929 1.00 1.00 H new ATOM 0 HG3 LYS A 26 2.685 -8.366 -2.400 1.00 1.00 H new ATOM 0 HD2 LYS A 26 4.865 -8.879 -3.652 1.00 1.00 H new ATOM 0 HD3 LYS A 26 5.465 -9.595 -2.170 1.00 1.00 H new ATOM 0 HE2 LYS A 26 3.768 -11.294 -2.159 1.00 1.00 H new ATOM 0 HE3 LYS A 26 2.764 -10.423 -3.301 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 3.937 -12.289 -4.304 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 4.375 -10.813 -5.020 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 5.427 -11.570 -3.924 1.00 1.00 H new ATOM 434 N LEU A 27 6.006 -4.544 -0.702 1.00 1.00 N ATOM 435 CA LEU A 27 6.580 -3.206 -0.815 1.00 1.00 C ATOM 436 C LEU A 27 8.100 -3.221 -0.875 1.00 1.00 C ATOM 437 O LEU A 27 8.686 -2.233 -1.313 1.00 1.00 O ATOM 438 CB LEU A 27 6.146 -2.322 0.370 1.00 1.00 C ATOM 439 CG LEU A 27 4.751 -1.719 0.189 1.00 1.00 C ATOM 440 CD1 LEU A 27 4.138 -1.224 1.500 1.00 1.00 C ATOM 441 CD2 LEU A 27 4.838 -0.517 -0.750 1.00 1.00 C ATOM 0 H LEU A 27 5.381 -4.641 0.098 1.00 1.00 H new ATOM 0 HA LEU A 27 6.203 -2.797 -1.752 1.00 1.00 H new ATOM 0 HB2 LEU A 27 6.163 -2.916 1.284 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.869 -1.517 0.499 1.00 1.00 H new ATOM 0 HG LEU A 27 4.121 -2.514 -0.211 1.00 1.00 H new ATOM 0 HD11 LEU A 27 3.150 -0.808 1.305 1.00 1.00 H new ATOM 0 HD12 LEU A 27 4.050 -2.057 2.198 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.777 -0.454 1.933 1.00 1.00 H new ATOM 0 HD21 LEU A 27 3.846 -0.085 -0.881 1.00 1.00 H new ATOM 0 HD22 LEU A 27 5.506 0.231 -0.323 1.00 1.00 H new ATOM 0 HD23 LEU A 27 5.225 -0.838 -1.717 1.00 1.00 H new ATOM 453 N LEU A 28 8.758 -4.304 -0.461 1.00 1.00 N ATOM 454 CA LEU A 28 10.203 -4.373 -0.559 1.00 1.00 C ATOM 455 C LEU A 28 10.544 -5.788 -1.058 1.00 1.00 C ATOM 456 O LEU A 28 11.432 -6.467 -0.542 1.00 1.00 O ATOM 457 CB LEU A 28 10.767 -3.993 0.816 1.00 1.00 C ATOM 458 CG LEU A 28 12.228 -3.489 0.747 1.00 1.00 C ATOM 459 CD1 LEU A 28 12.765 -3.321 2.166 1.00 1.00 C ATOM 460 CD2 LEU A 28 13.244 -4.186 -0.165 1.00 1.00 C ATOM 0 H LEU A 28 8.315 -5.131 -0.061 1.00 1.00 H new ATOM 0 HA LEU A 28 10.655 -3.680 -1.269 1.00 1.00 H new ATOM 0 HB2 LEU A 28 10.141 -3.218 1.259 1.00 1.00 H new ATOM 0 HB3 LEU A 28 10.717 -4.859 1.476 1.00 1.00 H new ATOM 0 HG LEU A 28 12.129 -2.544 0.213 1.00 1.00 H new ATOM 0 HD11 LEU A 28 13.795 -2.966 2.126 1.00 1.00 H new ATOM 0 HD12 LEU A 28 12.152 -2.597 2.704 1.00 1.00 H new ATOM 0 HD13 LEU A 28 12.732 -4.280 2.683 1.00 1.00 H new ATOM 0 HD21 LEU A 28 14.211 -3.691 -0.078 1.00 1.00 H new ATOM 0 HD22 LEU A 28 13.343 -5.230 0.132 1.00 1.00 H new ATOM 0 HD23 LEU A 28 12.902 -4.133 -1.198 1.00 1.00 H new ATOM 472 N SER A 29 9.758 -6.286 -2.012 1.00 1.00 N ATOM 473 CA SER A 29 9.944 -7.547 -2.713 1.00 1.00 C ATOM 474 C SER A 29 9.997 -7.113 -4.162 1.00 1.00 C ATOM 475 O SER A 29 11.065 -7.160 -4.770 1.00 1.00 O ATOM 476 CB SER A 29 8.818 -8.545 -2.412 1.00 1.00 C ATOM 477 OG SER A 29 9.061 -9.807 -2.995 1.00 1.00 O ATOM 0 H SER A 29 8.927 -5.788 -2.332 1.00 1.00 H new ATOM 0 HA SER A 29 10.839 -8.092 -2.411 1.00 1.00 H new ATOM 0 HB2 SER A 29 8.713 -8.658 -1.333 1.00 1.00 H new ATOM 0 HB3 SER A 29 7.873 -8.149 -2.785 1.00 1.00 H new ATOM 0 HG SER A 29 8.323 -10.415 -2.779 1.00 1.00 H new ATOM 483 N VAL A 30 8.861 -6.681 -4.720 1.00 1.00 N ATOM 484 CA VAL A 30 8.854 -6.134 -6.059 1.00 1.00 C ATOM 485 C VAL A 30 9.514 -4.760 -5.869 1.00 1.00 C ATOM 486 O VAL A 30 9.040 -3.970 -5.041 1.00 1.00 O ATOM 487 CB VAL A 30 7.434 -6.128 -6.667 1.00 1.00 C ATOM 488 CG1 VAL A 30 6.328 -5.495 -5.808 1.00 1.00 C ATOM 489 CG2 VAL A 30 7.460 -5.483 -8.056 1.00 1.00 C ATOM 0 H VAL A 30 7.950 -6.703 -4.262 1.00 1.00 H new ATOM 0 HA VAL A 30 9.400 -6.720 -6.798 1.00 1.00 H new ATOM 0 HB VAL A 30 7.159 -7.181 -6.725 1.00 1.00 H new ATOM 0 HG11 VAL A 30 5.378 -5.550 -6.340 1.00 1.00 H new ATOM 0 HG12 VAL A 30 6.247 -6.034 -4.864 1.00 1.00 H new ATOM 0 HG13 VAL A 30 6.573 -4.452 -5.610 1.00 1.00 H new ATOM 0 HG21 VAL A 30 6.454 -5.484 -8.476 1.00 1.00 H new ATOM 0 HG22 VAL A 30 7.818 -4.457 -7.974 1.00 1.00 H new ATOM 0 HG23 VAL A 30 8.126 -6.049 -8.708 1.00 1.00 H new ATOM 499 N PRO A 31 10.653 -4.475 -6.521 1.00 1.00 N ATOM 500 CA PRO A 31 11.341 -3.214 -6.314 1.00 1.00 C ATOM 501 C PRO A 31 10.443 -2.100 -6.859 1.00 1.00 C ATOM 502 O PRO A 31 9.638 -2.321 -7.774 1.00 1.00 O ATOM 503 CB PRO A 31 12.642 -3.336 -7.110 1.00 1.00 C ATOM 504 CG PRO A 31 12.276 -4.292 -8.242 1.00 1.00 C ATOM 505 CD PRO A 31 11.308 -5.255 -7.560 1.00 1.00 C ATOM 0 HA PRO A 31 11.556 -2.987 -5.270 1.00 1.00 H new ATOM 0 HB2 PRO A 31 12.972 -2.370 -7.491 1.00 1.00 H new ATOM 0 HB3 PRO A 31 13.452 -3.731 -6.497 1.00 1.00 H new ATOM 0 HG2 PRO A 31 11.809 -3.771 -9.078 1.00 1.00 H new ATOM 0 HG3 PRO A 31 13.151 -4.808 -8.637 1.00 1.00 H new ATOM 0 HD2 PRO A 31 10.582 -5.651 -8.270 1.00 1.00 H new ATOM 0 HD3 PRO A 31 11.837 -6.108 -7.136 1.00 1.00 H new ATOM 513 N LEU A 32 10.565 -0.895 -6.315 1.00 1.00 N ATOM 514 CA LEU A 32 9.835 0.256 -6.831 1.00 1.00 C ATOM 515 C LEU A 32 10.729 0.987 -7.838 1.00 1.00 C ATOM 516 O LEU A 32 11.940 0.759 -7.872 1.00 1.00 O ATOM 517 CB LEU A 32 9.409 1.137 -5.658 1.00 1.00 C ATOM 518 CG LEU A 32 8.305 2.129 -6.070 1.00 1.00 C ATOM 519 CD1 LEU A 32 7.045 1.965 -5.223 1.00 1.00 C ATOM 520 CD2 LEU A 32 8.848 3.544 -5.944 1.00 1.00 C ATOM 0 H LEU A 32 11.164 -0.690 -5.515 1.00 1.00 H new ATOM 0 HA LEU A 32 8.927 -0.042 -7.355 1.00 1.00 H new ATOM 0 HB2 LEU A 32 9.050 0.510 -4.842 1.00 1.00 H new ATOM 0 HB3 LEU A 32 10.272 1.687 -5.282 1.00 1.00 H new ATOM 0 HG LEU A 32 8.021 1.925 -7.102 1.00 1.00 H new ATOM 0 HD11 LEU A 32 6.293 2.684 -5.547 1.00 1.00 H new ATOM 0 HD12 LEU A 32 6.656 0.954 -5.342 1.00 1.00 H new ATOM 0 HD13 LEU A 32 7.286 2.140 -4.175 1.00 1.00 H new ATOM 0 HD21 LEU A 32 8.076 4.257 -6.233 1.00 1.00 H new ATOM 0 HD22 LEU A 32 9.145 3.729 -4.912 1.00 1.00 H new ATOM 0 HD23 LEU A 32 9.713 3.661 -6.597 1.00 1.00 H new ATOM 532 N ARG A 33 10.165 1.877 -8.651 1.00 1.00 N ATOM 533 CA ARG A 33 10.934 2.572 -9.675 1.00 1.00 C ATOM 534 C ARG A 33 11.841 3.632 -9.050 1.00 1.00 C ATOM 535 O ARG A 33 11.817 3.895 -7.844 1.00 1.00 O ATOM 536 CB ARG A 33 9.977 3.219 -10.688 1.00 1.00 C ATOM 537 CG ARG A 33 9.249 2.195 -11.569 1.00 1.00 C ATOM 538 CD ARG A 33 8.364 2.933 -12.578 1.00 1.00 C ATOM 539 NE ARG A 33 7.705 2.022 -13.519 1.00 1.00 N ATOM 540 CZ ARG A 33 8.174 1.580 -14.686 1.00 1.00 C ATOM 541 NH1 ARG A 33 9.415 1.861 -15.082 1.00 1.00 N ATOM 542 NH2 ARG A 33 7.383 0.862 -15.469 1.00 1.00 N ATOM 0 H ARG A 33 9.178 2.133 -8.619 1.00 1.00 H new ATOM 0 HA ARG A 33 11.567 1.848 -10.189 1.00 1.00 H new ATOM 0 HB2 ARG A 33 9.240 3.817 -10.152 1.00 1.00 H new ATOM 0 HB3 ARG A 33 10.539 3.902 -11.325 1.00 1.00 H new ATOM 0 HG2 ARG A 33 9.972 1.569 -12.092 1.00 1.00 H new ATOM 0 HG3 ARG A 33 8.642 1.533 -10.951 1.00 1.00 H new ATOM 0 HD2 ARG A 33 7.607 3.506 -12.042 1.00 1.00 H new ATOM 0 HD3 ARG A 33 8.971 3.648 -13.134 1.00 1.00 H new ATOM 0 HE ARG A 33 6.780 1.687 -13.249 1.00 1.00 H new ATOM 0 HH11 ARG A 33 10.025 2.424 -14.489 1.00 1.00 H new ATOM 0 HH12 ARG A 33 9.755 1.513 -15.979 1.00 1.00 H new ATOM 0 HH21 ARG A 33 6.428 0.654 -15.176 1.00 1.00 H new ATOM 0 HH22 ARG A 33 7.729 0.517 -16.365 1.00 1.00 H new ATOM 556 N GLU A 34 12.667 4.238 -9.887 1.00 1.00 N ATOM 557 CA GLU A 34 13.527 5.348 -9.526 1.00 1.00 C ATOM 558 C GLU A 34 12.690 6.626 -9.625 1.00 1.00 C ATOM 559 O GLU A 34 11.628 6.629 -10.256 1.00 1.00 O ATOM 560 CB GLU A 34 14.695 5.337 -10.513 1.00 1.00 C ATOM 561 CG GLU A 34 15.805 6.337 -10.189 1.00 1.00 C ATOM 562 CD GLU A 34 16.961 6.103 -11.148 1.00 1.00 C ATOM 563 OE1 GLU A 34 17.687 5.095 -10.988 1.00 1.00 O ATOM 564 OE2 GLU A 34 17.096 6.879 -12.122 1.00 1.00 O ATOM 0 H GLU A 34 12.759 3.961 -10.864 1.00 1.00 H new ATOM 0 HA GLU A 34 13.924 5.283 -8.513 1.00 1.00 H new ATOM 0 HB2 GLU A 34 15.122 4.335 -10.540 1.00 1.00 H new ATOM 0 HB3 GLU A 34 14.313 5.548 -11.512 1.00 1.00 H new ATOM 0 HG2 GLU A 34 15.435 7.358 -10.284 1.00 1.00 H new ATOM 0 HG3 GLU A 34 16.137 6.213 -9.158 1.00 1.00 H new ATOM 571 N GLY A 35 13.154 7.724 -9.034 1.00 1.00 N ATOM 572 CA GLY A 35 12.429 8.990 -9.006 1.00 1.00 C ATOM 573 C GLY A 35 11.399 9.044 -7.880 1.00 1.00 C ATOM 574 O GLY A 35 10.591 9.974 -7.843 1.00 1.00 O ATOM 0 H GLY A 35 14.054 7.759 -8.556 1.00 1.00 H new ATOM 0 HA2 GLY A 35 13.138 9.809 -8.886 1.00 1.00 H new ATOM 0 HA3 GLY A 35 11.927 9.140 -9.962 1.00 1.00 H new ATOM 578 N TYR A 36 11.406 8.060 -6.980 1.00 1.00 N ATOM 579 CA TYR A 36 10.549 7.923 -5.819 1.00 1.00 C ATOM 580 C TYR A 36 11.361 7.249 -4.709 1.00 1.00 C ATOM 581 O TYR A 36 12.476 6.769 -4.957 1.00 1.00 O ATOM 582 CB TYR A 36 9.346 7.062 -6.208 1.00 1.00 C ATOM 583 CG TYR A 36 8.388 7.702 -7.193 1.00 1.00 C ATOM 584 CD1 TYR A 36 7.335 8.514 -6.732 1.00 1.00 C ATOM 585 CD2 TYR A 36 8.557 7.500 -8.576 1.00 1.00 C ATOM 586 CE1 TYR A 36 6.421 9.081 -7.638 1.00 1.00 C ATOM 587 CE2 TYR A 36 7.665 8.093 -9.484 1.00 1.00 C ATOM 588 CZ TYR A 36 6.575 8.853 -9.021 1.00 1.00 C ATOM 589 OH TYR A 36 5.678 9.345 -9.921 1.00 1.00 O ATOM 0 H TYR A 36 12.063 7.284 -7.056 1.00 1.00 H new ATOM 0 HA TYR A 36 10.192 8.891 -5.467 1.00 1.00 H new ATOM 0 HB2 TYR A 36 9.711 6.128 -6.635 1.00 1.00 H new ATOM 0 HB3 TYR A 36 8.795 6.806 -5.303 1.00 1.00 H new ATOM 0 HD1 TYR A 36 7.228 8.703 -5.674 1.00 1.00 H new ATOM 0 HD2 TYR A 36 9.371 6.890 -8.938 1.00 1.00 H new ATOM 0 HE1 TYR A 36 5.605 9.688 -7.276 1.00 1.00 H new ATOM 0 HE2 TYR A 36 7.817 7.965 -10.546 1.00 1.00 H new ATOM 0 HH TYR A 36 4.813 8.903 -9.796 1.00 1.00 H new ATOM 599 N GLY A 37 10.831 7.201 -3.490 1.00 1.00 N ATOM 600 CA GLY A 37 11.481 6.577 -2.336 1.00 1.00 C ATOM 601 C GLY A 37 11.023 5.127 -2.153 1.00 1.00 C ATOM 602 O GLY A 37 10.177 4.645 -2.904 1.00 1.00 O ATOM 0 H GLY A 37 9.919 7.602 -3.270 1.00 1.00 H new ATOM 0 HA2 GLY A 37 12.563 6.605 -2.467 1.00 1.00 H new ATOM 0 HA3 GLY A 37 11.254 7.148 -1.436 1.00 1.00 H new ATOM 606 N ARG A 38 11.562 4.408 -1.161 1.00 1.00 N ATOM 607 CA ARG A 38 11.140 3.051 -0.789 1.00 1.00 C ATOM 608 C ARG A 38 11.115 2.989 0.733 1.00 1.00 C ATOM 609 O ARG A 38 12.122 3.330 1.366 1.00 1.00 O ATOM 610 CB ARG A 38 12.070 1.960 -1.347 1.00 1.00 C ATOM 611 CG ARG A 38 12.121 1.914 -2.881 1.00 1.00 C ATOM 612 CD ARG A 38 12.760 0.601 -3.353 1.00 1.00 C ATOM 613 NE ARG A 38 13.182 0.647 -4.764 1.00 1.00 N ATOM 614 CZ ARG A 38 14.000 -0.224 -5.375 1.00 1.00 C ATOM 615 NH1 ARG A 38 14.553 -1.231 -4.715 1.00 1.00 N ATOM 616 NH2 ARG A 38 14.230 -0.102 -6.675 1.00 1.00 N ATOM 0 H ARG A 38 12.322 4.762 -0.580 1.00 1.00 H new ATOM 0 HA ARG A 38 10.158 2.856 -1.219 1.00 1.00 H new ATOM 0 HB2 ARG A 38 13.077 2.124 -0.964 1.00 1.00 H new ATOM 0 HB3 ARG A 38 11.741 0.990 -0.974 1.00 1.00 H new ATOM 0 HG2 ARG A 38 11.114 2.003 -3.288 1.00 1.00 H new ATOM 0 HG3 ARG A 38 12.694 2.761 -3.258 1.00 1.00 H new ATOM 0 HD2 ARG A 38 13.624 0.377 -2.727 1.00 1.00 H new ATOM 0 HD3 ARG A 38 12.048 -0.213 -3.218 1.00 1.00 H new ATOM 0 HE ARG A 38 12.818 1.413 -5.330 1.00 1.00 H new ATOM 0 HH11 ARG A 38 14.360 -1.357 -3.721 1.00 1.00 H new ATOM 0 HH12 ARG A 38 15.172 -1.881 -5.201 1.00 1.00 H new ATOM 0 HH21 ARG A 38 13.787 0.650 -7.203 1.00 1.00 H new ATOM 0 HH22 ARG A 38 14.850 -0.760 -7.147 1.00 1.00 H new ATOM 630 N ILE A 39 9.996 2.604 1.339 1.00 1.00 N ATOM 631 CA ILE A 39 9.858 2.506 2.787 1.00 1.00 C ATOM 632 C ILE A 39 10.419 1.124 3.170 1.00 1.00 C ATOM 633 O ILE A 39 10.012 0.127 2.570 1.00 1.00 O ATOM 634 CB ILE A 39 8.376 2.681 3.214 1.00 1.00 C ATOM 635 CG1 ILE A 39 7.722 3.950 2.607 1.00 1.00 C ATOM 636 CG2 ILE A 39 8.310 2.762 4.752 1.00 1.00 C ATOM 637 CD1 ILE A 39 6.208 4.058 2.835 1.00 1.00 C ATOM 0 H ILE A 39 9.149 2.348 0.831 1.00 1.00 H new ATOM 0 HA ILE A 39 10.404 3.296 3.304 1.00 1.00 H new ATOM 0 HB ILE A 39 7.820 1.822 2.838 1.00 1.00 H new ATOM 0 HG12 ILE A 39 8.204 4.830 3.032 1.00 1.00 H new ATOM 0 HG13 ILE A 39 7.917 3.966 1.535 1.00 1.00 H new ATOM 0 HG21 ILE A 39 7.273 2.885 5.066 1.00 1.00 H new ATOM 0 HG22 ILE A 39 8.713 1.845 5.182 1.00 1.00 H new ATOM 0 HG23 ILE A 39 8.897 3.613 5.097 1.00 1.00 H new ATOM 0 HD11 ILE A 39 5.836 4.975 2.377 1.00 1.00 H new ATOM 0 HD12 ILE A 39 5.710 3.199 2.385 1.00 1.00 H new ATOM 0 HD13 ILE A 39 6.002 4.077 3.905 1.00 1.00 H new ATOM 649 N PRO A 40 11.374 1.016 4.113 1.00 1.00 N ATOM 650 CA PRO A 40 11.952 -0.272 4.470 1.00 1.00 C ATOM 651 C PRO A 40 10.946 -1.144 5.221 1.00 1.00 C ATOM 652 O PRO A 40 10.062 -0.645 5.923 1.00 1.00 O ATOM 653 CB PRO A 40 13.159 0.038 5.347 1.00 1.00 C ATOM 654 CG PRO A 40 12.774 1.361 5.987 1.00 1.00 C ATOM 655 CD PRO A 40 12.000 2.079 4.882 1.00 1.00 C ATOM 0 HA PRO A 40 12.237 -0.833 3.580 1.00 1.00 H new ATOM 0 HB2 PRO A 40 13.328 -0.739 6.093 1.00 1.00 H new ATOM 0 HB3 PRO A 40 14.074 0.122 4.761 1.00 1.00 H new ATOM 0 HG2 PRO A 40 12.161 1.214 6.876 1.00 1.00 H new ATOM 0 HG3 PRO A 40 13.652 1.928 6.296 1.00 1.00 H new ATOM 0 HD2 PRO A 40 11.255 2.757 5.298 1.00 1.00 H new ATOM 0 HD3 PRO A 40 12.664 2.678 4.260 1.00 1.00 H new ATOM 663 N ARG A 41 11.139 -2.463 5.160 1.00 1.00 N ATOM 664 CA ARG A 41 10.208 -3.410 5.766 1.00 1.00 C ATOM 665 C ARG A 41 10.187 -3.282 7.289 1.00 1.00 C ATOM 666 O ARG A 41 9.165 -3.574 7.905 1.00 1.00 O ATOM 667 CB ARG A 41 10.546 -4.839 5.317 1.00 1.00 C ATOM 668 CG ARG A 41 9.390 -5.820 5.591 1.00 1.00 C ATOM 669 CD ARG A 41 9.768 -6.974 6.529 1.00 1.00 C ATOM 670 NE ARG A 41 10.048 -6.554 7.914 1.00 1.00 N ATOM 671 CZ ARG A 41 10.521 -7.370 8.867 1.00 1.00 C ATOM 672 NH1 ARG A 41 10.847 -8.627 8.595 1.00 1.00 N ATOM 673 NH2 ARG A 41 10.669 -6.938 10.110 1.00 1.00 N ATOM 0 H ARG A 41 11.935 -2.898 4.695 1.00 1.00 H new ATOM 0 HA ARG A 41 9.201 -3.174 5.422 1.00 1.00 H new ATOM 0 HB2 ARG A 41 10.776 -4.839 4.252 1.00 1.00 H new ATOM 0 HB3 ARG A 41 11.441 -5.180 5.837 1.00 1.00 H new ATOM 0 HG2 ARG A 41 8.554 -5.271 6.024 1.00 1.00 H new ATOM 0 HG3 ARG A 41 9.043 -6.233 4.644 1.00 1.00 H new ATOM 0 HD2 ARG A 41 8.957 -7.702 6.538 1.00 1.00 H new ATOM 0 HD3 ARG A 41 10.646 -7.481 6.129 1.00 1.00 H new ATOM 0 HE ARG A 41 9.871 -5.581 8.163 1.00 1.00 H new ATOM 0 HH11 ARG A 41 10.739 -8.988 7.647 1.00 1.00 H new ATOM 0 HH12 ARG A 41 11.205 -9.232 9.334 1.00 1.00 H new ATOM 0 HH21 ARG A 41 10.422 -5.978 10.349 1.00 1.00 H new ATOM 0 HH22 ARG A 41 11.030 -7.566 10.829 1.00 1.00 H new ATOM 687 N GLY A 42 11.293 -2.862 7.902 1.00 1.00 N ATOM 688 CA GLY A 42 11.360 -2.612 9.329 1.00 1.00 C ATOM 689 C GLY A 42 10.415 -1.487 9.730 1.00 1.00 C ATOM 690 O GLY A 42 9.643 -1.635 10.682 1.00 1.00 O ATOM 0 H GLY A 42 12.171 -2.686 7.413 1.00 1.00 H new ATOM 0 HA2 GLY A 42 11.102 -3.520 9.874 1.00 1.00 H new ATOM 0 HA3 GLY A 42 12.381 -2.352 9.609 1.00 1.00 H new ATOM 694 N ALA A 43 10.463 -0.368 8.997 1.00 1.00 N ATOM 695 CA ALA A 43 9.565 0.750 9.226 1.00 1.00 C ATOM 696 C ALA A 43 8.137 0.258 9.015 1.00 1.00 C ATOM 697 O ALA A 43 7.305 0.410 9.906 1.00 1.00 O ATOM 698 CB ALA A 43 9.899 1.940 8.320 1.00 1.00 C ATOM 0 H ALA A 43 11.125 -0.221 8.235 1.00 1.00 H new ATOM 0 HA ALA A 43 9.680 1.114 10.247 1.00 1.00 H new ATOM 0 HB1 ALA A 43 9.205 2.756 8.521 1.00 1.00 H new ATOM 0 HB2 ALA A 43 10.918 2.273 8.517 1.00 1.00 H new ATOM 0 HB3 ALA A 43 9.812 1.638 7.276 1.00 1.00 H new ATOM 704 N LEU A 44 7.877 -0.401 7.883 1.00 1.00 N ATOM 705 CA LEU A 44 6.540 -0.846 7.521 1.00 1.00 C ATOM 706 C LEU A 44 5.890 -1.713 8.593 1.00 1.00 C ATOM 707 O LEU A 44 4.713 -1.508 8.862 1.00 1.00 O ATOM 708 CB LEU A 44 6.537 -1.554 6.162 1.00 1.00 C ATOM 709 CG LEU A 44 6.731 -0.619 4.956 1.00 1.00 C ATOM 710 CD1 LEU A 44 6.849 -1.458 3.686 1.00 1.00 C ATOM 711 CD2 LEU A 44 5.560 0.359 4.784 1.00 1.00 C ATOM 0 H LEU A 44 8.592 -0.638 7.195 1.00 1.00 H new ATOM 0 HA LEU A 44 5.931 0.054 7.440 1.00 1.00 H new ATOM 0 HB2 LEU A 44 7.328 -2.304 6.155 1.00 1.00 H new ATOM 0 HB3 LEU A 44 5.593 -2.086 6.045 1.00 1.00 H new ATOM 0 HG LEU A 44 7.636 -0.039 5.134 1.00 1.00 H new ATOM 0 HD11 LEU A 44 6.987 -0.801 2.827 1.00 1.00 H new ATOM 0 HD12 LEU A 44 7.704 -2.128 3.771 1.00 1.00 H new ATOM 0 HD13 LEU A 44 5.940 -2.045 3.552 1.00 1.00 H new ATOM 0 HD21 LEU A 44 5.743 0.998 3.920 1.00 1.00 H new ATOM 0 HD22 LEU A 44 4.637 -0.201 4.632 1.00 1.00 H new ATOM 0 HD23 LEU A 44 5.467 0.976 5.678 1.00 1.00 H new ATOM 723 N LEU A 45 6.602 -2.665 9.200 1.00 1.00 N ATOM 724 CA LEU A 45 6.030 -3.439 10.312 1.00 1.00 C ATOM 725 C LEU A 45 5.944 -2.635 11.604 1.00 1.00 C ATOM 726 O LEU A 45 5.048 -2.890 12.409 1.00 1.00 O ATOM 727 CB LEU A 45 6.688 -4.805 10.534 1.00 1.00 C ATOM 728 CG LEU A 45 6.171 -5.912 9.600 1.00 1.00 C ATOM 729 CD1 LEU A 45 6.540 -5.716 8.133 1.00 1.00 C ATOM 730 CD2 LEU A 45 6.720 -7.256 10.074 1.00 1.00 C ATOM 0 H LEU A 45 7.558 -2.918 8.949 1.00 1.00 H new ATOM 0 HA LEU A 45 5.010 -3.656 9.995 1.00 1.00 H new ATOM 0 HB2 LEU A 45 7.765 -4.704 10.398 1.00 1.00 H new ATOM 0 HB3 LEU A 45 6.525 -5.111 11.567 1.00 1.00 H new ATOM 0 HG LEU A 45 5.083 -5.875 9.651 1.00 1.00 H new ATOM 0 HD11 LEU A 45 6.137 -6.540 7.543 1.00 1.00 H new ATOM 0 HD12 LEU A 45 6.122 -4.775 7.775 1.00 1.00 H new ATOM 0 HD13 LEU A 45 7.625 -5.693 8.031 1.00 1.00 H new ATOM 0 HD21 LEU A 45 6.359 -8.048 9.418 1.00 1.00 H new ATOM 0 HD22 LEU A 45 7.809 -7.233 10.050 1.00 1.00 H new ATOM 0 HD23 LEU A 45 6.384 -7.447 11.093 1.00 1.00 H new ATOM 742 N SER A 46 6.842 -1.681 11.856 1.00 1.00 N ATOM 743 CA SER A 46 6.688 -0.835 13.024 1.00 1.00 C ATOM 744 C SER A 46 5.488 0.125 12.839 1.00 1.00 C ATOM 745 O SER A 46 5.011 0.703 13.816 1.00 1.00 O ATOM 746 CB SER A 46 8.015 -0.132 13.282 1.00 1.00 C ATOM 747 OG SER A 46 8.309 0.859 12.320 1.00 1.00 O ATOM 0 H SER A 46 7.660 -1.483 11.280 1.00 1.00 H new ATOM 0 HA SER A 46 6.451 -1.421 13.912 1.00 1.00 H new ATOM 0 HB2 SER A 46 7.992 0.325 14.271 1.00 1.00 H new ATOM 0 HB3 SER A 46 8.816 -0.871 13.291 1.00 1.00 H new ATOM 0 HG SER A 46 7.943 0.590 11.451 1.00 1.00 H new ATOM 753 N MET A 47 5.013 0.322 11.605 1.00 1.00 N ATOM 754 CA MET A 47 3.842 1.109 11.252 1.00 1.00 C ATOM 755 C MET A 47 2.585 0.228 11.182 1.00 1.00 C ATOM 756 O MET A 47 2.637 -0.995 11.010 1.00 1.00 O ATOM 757 CB MET A 47 4.090 1.760 9.880 1.00 1.00 C ATOM 758 CG MET A 47 5.215 2.807 9.864 1.00 1.00 C ATOM 759 SD MET A 47 5.999 3.043 8.238 1.00 1.00 S ATOM 760 CE MET A 47 4.550 3.436 7.225 1.00 1.00 C ATOM 0 H MET A 47 5.464 -0.088 10.787 1.00 1.00 H new ATOM 0 HA MET A 47 3.679 1.869 12.016 1.00 1.00 H new ATOM 0 HB2 MET A 47 4.329 0.978 9.159 1.00 1.00 H new ATOM 0 HB3 MET A 47 3.167 2.232 9.544 1.00 1.00 H new ATOM 0 HG2 MET A 47 4.811 3.762 10.201 1.00 1.00 H new ATOM 0 HG3 MET A 47 5.979 2.512 10.583 1.00 1.00 H new ATOM 0 HE1 MET A 47 4.864 3.626 6.199 1.00 1.00 H new ATOM 0 HE2 MET A 47 3.856 2.596 7.242 1.00 1.00 H new ATOM 0 HE3 MET A 47 4.057 4.323 7.624 1.00 1.00 H new ATOM 770 N ASP A 48 1.435 0.888 11.215 1.00 1.00 N ATOM 771 CA ASP A 48 0.078 0.364 11.072 1.00 1.00 C ATOM 772 C ASP A 48 -0.553 0.989 9.829 1.00 1.00 C ATOM 773 O ASP A 48 0.152 1.495 8.952 1.00 1.00 O ATOM 774 CB ASP A 48 -0.742 0.663 12.337 1.00 1.00 C ATOM 775 CG ASP A 48 -0.716 2.145 12.700 1.00 1.00 C ATOM 776 OD1 ASP A 48 -1.178 2.964 11.879 1.00 1.00 O ATOM 777 OD2 ASP A 48 -0.146 2.462 13.766 1.00 1.00 O ATOM 0 H ASP A 48 1.425 1.898 11.356 1.00 1.00 H new ATOM 0 HA ASP A 48 0.098 -0.719 10.951 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -1.773 0.346 12.183 1.00 1.00 H new ATOM 0 HB3 ASP A 48 -0.349 0.079 13.170 1.00 1.00 H new ATOM 782 N ALA A 49 -1.874 0.876 9.711 1.00 1.00 N ATOM 783 CA ALA A 49 -2.638 1.373 8.575 1.00 1.00 C ATOM 784 C ALA A 49 -2.649 2.901 8.492 1.00 1.00 C ATOM 785 O ALA A 49 -2.580 3.458 7.392 1.00 1.00 O ATOM 786 CB ALA A 49 -4.088 0.891 8.696 1.00 1.00 C ATOM 0 H ALA A 49 -2.454 0.426 10.420 1.00 1.00 H new ATOM 0 HA ALA A 49 -2.158 0.989 7.675 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -4.666 1.260 7.848 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -4.110 -0.199 8.704 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -4.521 1.269 9.622 1.00 1.00 H new ATOM 792 N LEU A 50 -2.785 3.570 9.636 1.00 1.00 N ATOM 793 CA LEU A 50 -2.907 5.015 9.733 1.00 1.00 C ATOM 794 C LEU A 50 -1.547 5.619 9.415 1.00 1.00 C ATOM 795 O LEU A 50 -1.448 6.454 8.514 1.00 1.00 O ATOM 796 CB LEU A 50 -3.414 5.381 11.135 1.00 1.00 C ATOM 797 CG LEU A 50 -3.804 6.861 11.297 1.00 1.00 C ATOM 798 CD1 LEU A 50 -4.931 6.955 12.330 1.00 1.00 C ATOM 799 CD2 LEU A 50 -2.631 7.743 11.744 1.00 1.00 C ATOM 0 H LEU A 50 -2.814 3.105 10.543 1.00 1.00 H new ATOM 0 HA LEU A 50 -3.629 5.415 9.022 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -4.279 4.761 11.370 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -2.641 5.139 11.864 1.00 1.00 H new ATOM 0 HG LEU A 50 -4.124 7.230 10.322 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -5.221 7.998 12.458 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -5.790 6.379 11.985 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -4.585 6.555 13.283 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -2.968 8.775 11.841 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -2.257 7.392 12.706 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -1.833 7.690 11.003 1.00 1.00 H new ATOM 811 N ASP A 51 -0.500 5.162 10.113 1.00 1.00 N ATOM 812 CA ASP A 51 0.868 5.581 9.823 1.00 1.00 C ATOM 813 C ASP A 51 1.261 5.273 8.400 1.00 1.00 C ATOM 814 O ASP A 51 1.918 6.113 7.787 1.00 1.00 O ATOM 815 CB ASP A 51 1.928 5.022 10.775 1.00 1.00 C ATOM 816 CG ASP A 51 2.029 5.818 12.067 1.00 1.00 C ATOM 817 OD1 ASP A 51 2.342 7.033 12.009 1.00 1.00 O ATOM 818 OD2 ASP A 51 1.911 5.232 13.161 1.00 1.00 O ATOM 0 H ASP A 51 -0.580 4.500 10.885 1.00 1.00 H new ATOM 0 HA ASP A 51 0.848 6.660 9.978 1.00 1.00 H new ATOM 0 HB2 ASP A 51 1.690 3.984 11.009 1.00 1.00 H new ATOM 0 HB3 ASP A 51 2.897 5.022 10.275 1.00 1.00 H new ATOM 823 N LEU A 52 0.895 4.103 7.856 1.00 1.00 N ATOM 824 CA LEU A 52 1.165 3.846 6.452 1.00 1.00 C ATOM 825 C LEU A 52 0.507 4.936 5.641 1.00 1.00 C ATOM 826 O LEU A 52 1.228 5.581 4.902 1.00 1.00 O ATOM 827 CB LEU A 52 0.698 2.465 5.974 1.00 1.00 C ATOM 828 CG LEU A 52 0.868 2.326 4.433 1.00 1.00 C ATOM 829 CD1 LEU A 52 2.002 1.363 4.072 1.00 1.00 C ATOM 830 CD2 LEU A 52 -0.447 1.927 3.763 1.00 1.00 C ATOM 0 H LEU A 52 0.426 3.347 8.356 1.00 1.00 H new ATOM 0 HA LEU A 52 2.246 3.847 6.315 1.00 1.00 H new ATOM 0 HB2 LEU A 52 1.271 1.688 6.479 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -0.348 2.316 6.244 1.00 1.00 H new ATOM 0 HG LEU A 52 1.148 3.306 4.046 1.00 1.00 H new ATOM 0 HD11 LEU A 52 2.089 1.293 2.988 1.00 1.00 H new ATOM 0 HD12 LEU A 52 2.939 1.732 4.488 1.00 1.00 H new ATOM 0 HD13 LEU A 52 1.786 0.377 4.483 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -0.295 1.838 2.687 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -0.783 0.970 4.162 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.202 2.688 3.961 1.00 1.00 H new ATOM 842 N THR A 53 -0.802 5.131 5.742 1.00 1.00 N ATOM 843 CA THR A 53 -1.504 6.094 4.914 1.00 1.00 C ATOM 844 C THR A 53 -0.814 7.454 4.948 1.00 1.00 C ATOM 845 O THR A 53 -0.497 7.991 3.886 1.00 1.00 O ATOM 846 CB THR A 53 -2.962 6.168 5.362 1.00 1.00 C ATOM 847 OG1 THR A 53 -3.509 4.871 5.255 1.00 1.00 O ATOM 848 CG2 THR A 53 -3.743 7.146 4.482 1.00 1.00 C ATOM 0 H THR A 53 -1.401 4.628 6.397 1.00 1.00 H new ATOM 0 HA THR A 53 -1.482 5.770 3.874 1.00 1.00 H new ATOM 0 HB THR A 53 -3.024 6.525 6.390 1.00 1.00 H new ATOM 0 HG1 THR A 53 -3.319 4.367 6.074 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.780 7.187 4.815 1.00 1.00 H new ATOM 0 HG22 THR A 53 -3.298 8.138 4.558 1.00 1.00 H new ATOM 0 HG23 THR A 53 -3.708 6.811 3.445 1.00 1.00 H new ATOM 856 N ASP A 54 -0.547 7.986 6.143 1.00 1.00 N ATOM 857 CA ASP A 54 0.138 9.265 6.279 1.00 1.00 C ATOM 858 C ASP A 54 1.484 9.243 5.565 1.00 1.00 C ATOM 859 O ASP A 54 1.762 10.132 4.744 1.00 1.00 O ATOM 860 CB ASP A 54 0.286 9.695 7.747 1.00 1.00 C ATOM 861 CG ASP A 54 -0.991 10.344 8.268 1.00 1.00 C ATOM 862 OD1 ASP A 54 -1.432 11.350 7.674 1.00 1.00 O ATOM 863 OD2 ASP A 54 -1.572 9.893 9.280 1.00 1.00 O ATOM 0 H ASP A 54 -0.797 7.547 7.029 1.00 1.00 H new ATOM 0 HA ASP A 54 -0.487 10.016 5.796 1.00 1.00 H new ATOM 0 HB2 ASP A 54 0.531 8.827 8.359 1.00 1.00 H new ATOM 0 HB3 ASP A 54 1.116 10.395 7.841 1.00 1.00 H new ATOM 868 N LYS A 55 2.314 8.239 5.864 1.00 1.00 N ATOM 869 CA LYS A 55 3.658 8.122 5.319 1.00 1.00 C ATOM 870 C LYS A 55 3.590 8.012 3.809 1.00 1.00 C ATOM 871 O LYS A 55 4.136 8.847 3.111 1.00 1.00 O ATOM 872 CB LYS A 55 4.402 6.912 5.917 1.00 1.00 C ATOM 873 CG LYS A 55 5.908 7.139 5.728 1.00 1.00 C ATOM 874 CD LYS A 55 6.744 6.084 6.444 1.00 1.00 C ATOM 875 CE LYS A 55 8.227 6.432 6.316 1.00 1.00 C ATOM 876 NZ LYS A 55 9.043 5.550 7.166 1.00 1.00 N ATOM 0 H LYS A 55 2.063 7.480 6.498 1.00 1.00 H new ATOM 0 HA LYS A 55 4.218 9.018 5.588 1.00 1.00 H new ATOM 0 HB2 LYS A 55 4.163 6.803 6.975 1.00 1.00 H new ATOM 0 HB3 LYS A 55 4.091 5.991 5.423 1.00 1.00 H new ATOM 0 HG2 LYS A 55 6.145 7.127 4.664 1.00 1.00 H new ATOM 0 HG3 LYS A 55 6.175 8.127 6.103 1.00 1.00 H new ATOM 0 HD2 LYS A 55 6.461 6.033 7.495 1.00 1.00 H new ATOM 0 HD3 LYS A 55 6.552 5.101 6.015 1.00 1.00 H new ATOM 0 HE2 LYS A 55 8.540 6.335 5.276 1.00 1.00 H new ATOM 0 HE3 LYS A 55 8.388 7.472 6.602 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 10.043 5.635 6.895 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 8.930 5.826 8.162 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 8.733 4.565 7.042 1.00 1.00 H new ATOM 890 N LEU A 56 2.934 6.972 3.317 1.00 1.00 N ATOM 891 CA LEU A 56 2.778 6.553 1.938 1.00 1.00 C ATOM 892 C LEU A 56 2.279 7.730 1.103 1.00 1.00 C ATOM 893 O LEU A 56 2.874 8.037 0.073 1.00 1.00 O ATOM 894 CB LEU A 56 1.846 5.323 1.988 1.00 1.00 C ATOM 895 CG LEU A 56 1.389 4.597 0.723 1.00 1.00 C ATOM 896 CD1 LEU A 56 0.358 5.415 -0.040 1.00 1.00 C ATOM 897 CD2 LEU A 56 2.521 4.164 -0.200 1.00 1.00 C ATOM 0 H LEU A 56 2.446 6.334 3.946 1.00 1.00 H new ATOM 0 HA LEU A 56 3.704 6.257 1.446 1.00 1.00 H new ATOM 0 HB2 LEU A 56 2.340 4.580 2.615 1.00 1.00 H new ATOM 0 HB3 LEU A 56 0.944 5.634 2.514 1.00 1.00 H new ATOM 0 HG LEU A 56 0.928 3.675 1.077 1.00 1.00 H new ATOM 0 HD11 LEU A 56 0.053 4.872 -0.935 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -0.511 5.588 0.594 1.00 1.00 H new ATOM 0 HD13 LEU A 56 0.793 6.372 -0.327 1.00 1.00 H new ATOM 0 HD21 LEU A 56 2.106 3.657 -1.071 1.00 1.00 H new ATOM 0 HD22 LEU A 56 3.083 5.041 -0.523 1.00 1.00 H new ATOM 0 HD23 LEU A 56 3.185 3.484 0.333 1.00 1.00 H new ATOM 909 N VAL A 57 1.226 8.425 1.527 1.00 1.00 N ATOM 910 CA VAL A 57 0.721 9.555 0.762 1.00 1.00 C ATOM 911 C VAL A 57 1.732 10.712 0.751 1.00 1.00 C ATOM 912 O VAL A 57 1.947 11.309 -0.308 1.00 1.00 O ATOM 913 CB VAL A 57 -0.669 9.945 1.293 1.00 1.00 C ATOM 914 CG1 VAL A 57 -1.108 11.292 0.715 1.00 1.00 C ATOM 915 CG2 VAL A 57 -1.702 8.862 0.942 1.00 1.00 C ATOM 0 H VAL A 57 0.713 8.227 2.386 1.00 1.00 H new ATOM 0 HA VAL A 57 0.598 9.276 -0.285 1.00 1.00 H new ATOM 0 HB VAL A 57 -0.606 10.034 2.378 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -2.093 11.550 1.102 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -0.392 12.062 1.002 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -1.152 11.225 -0.372 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -2.680 9.154 1.325 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.756 8.748 -0.141 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -1.404 7.915 1.392 1.00 1.00 H new ATOM 925 N SER A 58 2.355 11.050 1.883 1.00 1.00 N ATOM 926 CA SER A 58 3.312 12.153 1.942 1.00 1.00 C ATOM 927 C SER A 58 4.565 11.829 1.111 1.00 1.00 C ATOM 928 O SER A 58 4.940 12.574 0.203 1.00 1.00 O ATOM 929 CB SER A 58 3.623 12.406 3.423 1.00 1.00 C ATOM 930 OG SER A 58 4.522 13.477 3.618 1.00 1.00 O ATOM 0 H SER A 58 2.212 10.572 2.773 1.00 1.00 H new ATOM 0 HA SER A 58 2.900 13.063 1.505 1.00 1.00 H new ATOM 0 HB2 SER A 58 2.694 12.616 3.954 1.00 1.00 H new ATOM 0 HB3 SER A 58 4.043 11.501 3.861 1.00 1.00 H new ATOM 0 HG SER A 58 4.685 13.597 4.577 1.00 1.00 H new ATOM 936 N PHE A 59 5.192 10.696 1.413 1.00 1.00 N ATOM 937 CA PHE A 59 6.439 10.187 0.870 1.00 1.00 C ATOM 938 C PHE A 59 6.348 9.930 -0.632 1.00 1.00 C ATOM 939 O PHE A 59 7.370 10.036 -1.310 1.00 1.00 O ATOM 940 CB PHE A 59 6.785 8.914 1.657 1.00 1.00 C ATOM 941 CG PHE A 59 8.163 8.315 1.464 1.00 1.00 C ATOM 942 CD1 PHE A 59 9.301 8.936 2.009 1.00 1.00 C ATOM 943 CD2 PHE A 59 8.292 7.059 0.846 1.00 1.00 C ATOM 944 CE1 PHE A 59 10.558 8.311 1.922 1.00 1.00 C ATOM 945 CE2 PHE A 59 9.540 6.424 0.777 1.00 1.00 C ATOM 946 CZ PHE A 59 10.678 7.049 1.314 1.00 1.00 C ATOM 0 H PHE A 59 4.802 10.057 2.106 1.00 1.00 H new ATOM 0 HA PHE A 59 7.232 10.927 0.982 1.00 1.00 H new ATOM 0 HB2 PHE A 59 6.661 9.132 2.718 1.00 1.00 H new ATOM 0 HB3 PHE A 59 6.050 8.152 1.400 1.00 1.00 H new ATOM 0 HD1 PHE A 59 9.209 9.896 2.496 1.00 1.00 H new ATOM 0 HD2 PHE A 59 7.423 6.579 0.421 1.00 1.00 H new ATOM 0 HE1 PHE A 59 11.433 8.801 2.323 1.00 1.00 H new ATOM 0 HE2 PHE A 59 9.627 5.454 0.311 1.00 1.00 H new ATOM 0 HZ PHE A 59 11.641 6.562 1.260 1.00 1.00 H new ATOM 956 N TYR A 60 5.164 9.617 -1.176 1.00 1.00 N ATOM 957 CA TYR A 60 4.989 9.469 -2.614 1.00 1.00 C ATOM 958 C TYR A 60 4.256 10.697 -3.131 1.00 1.00 C ATOM 959 O TYR A 60 4.916 11.715 -3.330 1.00 1.00 O ATOM 960 CB TYR A 60 4.314 8.139 -2.961 1.00 1.00 C ATOM 961 CG TYR A 60 5.216 6.953 -2.713 1.00 1.00 C ATOM 962 CD1 TYR A 60 6.097 6.532 -3.720 1.00 1.00 C ATOM 963 CD2 TYR A 60 5.226 6.304 -1.465 1.00 1.00 C ATOM 964 CE1 TYR A 60 6.986 5.480 -3.474 1.00 1.00 C ATOM 965 CE2 TYR A 60 6.068 5.208 -1.231 1.00 1.00 C ATOM 966 CZ TYR A 60 6.972 4.812 -2.234 1.00 1.00 C ATOM 967 OH TYR A 60 7.855 3.818 -1.987 1.00 1.00 O ATOM 0 H TYR A 60 4.314 9.462 -0.633 1.00 1.00 H new ATOM 0 HA TYR A 60 5.953 9.420 -3.120 1.00 1.00 H new ATOM 0 HB2 TYR A 60 3.405 8.031 -2.369 1.00 1.00 H new ATOM 0 HB3 TYR A 60 4.013 8.150 -4.008 1.00 1.00 H new ATOM 0 HD1 TYR A 60 6.089 7.019 -4.684 1.00 1.00 H new ATOM 0 HD2 TYR A 60 4.576 6.655 -0.677 1.00 1.00 H new ATOM 0 HE1 TYR A 60 7.687 5.179 -4.239 1.00 1.00 H new ATOM 0 HE2 TYR A 60 6.023 4.674 -0.293 1.00 1.00 H new ATOM 0 HH TYR A 60 8.730 4.059 -2.356 1.00 1.00 H new ATOM 977 N LEU A 61 2.934 10.630 -3.294 1.00 1.00 N ATOM 978 CA LEU A 61 2.007 11.691 -3.686 1.00 1.00 C ATOM 979 C LEU A 61 0.605 11.255 -3.261 1.00 1.00 C ATOM 980 O LEU A 61 0.332 10.063 -3.108 1.00 1.00 O ATOM 981 CB LEU A 61 1.937 11.952 -5.210 1.00 1.00 C ATOM 982 CG LEU A 61 2.985 12.814 -5.940 1.00 1.00 C ATOM 983 CD1 LEU A 61 3.439 14.024 -5.117 1.00 1.00 C ATOM 984 CD2 LEU A 61 4.137 11.993 -6.521 1.00 1.00 C ATOM 0 H LEU A 61 2.440 9.751 -3.141 1.00 1.00 H new ATOM 0 HA LEU A 61 2.363 12.605 -3.210 1.00 1.00 H new ATOM 0 HB2 LEU A 61 1.939 10.976 -5.696 1.00 1.00 H new ATOM 0 HB3 LEU A 61 0.965 12.405 -5.407 1.00 1.00 H new ATOM 0 HG LEU A 61 2.477 13.235 -6.807 1.00 1.00 H new ATOM 0 HD11 LEU A 61 4.177 14.593 -5.683 1.00 1.00 H new ATOM 0 HD12 LEU A 61 2.580 14.659 -4.900 1.00 1.00 H new ATOM 0 HD13 LEU A 61 3.883 13.682 -4.182 1.00 1.00 H new ATOM 0 HD21 LEU A 61 4.841 12.658 -7.022 1.00 1.00 H new ATOM 0 HD22 LEU A 61 4.648 11.463 -5.717 1.00 1.00 H new ATOM 0 HD23 LEU A 61 3.745 11.272 -7.239 1.00 1.00 H new ATOM 996 N GLU A 62 -0.320 12.213 -3.219 1.00 1.00 N ATOM 997 CA GLU A 62 -1.744 12.015 -2.950 1.00 1.00 C ATOM 998 C GLU A 62 -2.464 11.239 -4.057 1.00 1.00 C ATOM 999 O GLU A 62 -3.609 10.833 -3.887 1.00 1.00 O ATOM 1000 CB GLU A 62 -2.395 13.387 -2.769 1.00 1.00 C ATOM 1001 CG GLU A 62 -1.888 14.097 -1.502 1.00 1.00 C ATOM 1002 CD GLU A 62 -2.615 15.409 -1.230 1.00 1.00 C ATOM 1003 OE1 GLU A 62 -2.750 16.247 -2.149 1.00 1.00 O ATOM 1004 OE2 GLU A 62 -3.101 15.615 -0.095 1.00 1.00 O ATOM 0 H GLU A 62 -0.087 13.193 -3.379 1.00 1.00 H new ATOM 0 HA GLU A 62 -1.833 11.412 -2.046 1.00 1.00 H new ATOM 0 HB2 GLU A 62 -2.186 14.006 -3.641 1.00 1.00 H new ATOM 0 HB3 GLU A 62 -3.477 13.271 -2.712 1.00 1.00 H new ATOM 0 HG2 GLU A 62 -2.011 13.434 -0.646 1.00 1.00 H new ATOM 0 HG3 GLU A 62 -0.820 14.292 -1.603 1.00 1.00 H new ATOM 1011 N THR A 63 -1.809 11.031 -5.191 1.00 1.00 N ATOM 1012 CA THR A 63 -2.342 10.322 -6.348 1.00 1.00 C ATOM 1013 C THR A 63 -1.585 8.997 -6.506 1.00 1.00 C ATOM 1014 O THR A 63 -2.204 7.928 -6.508 1.00 1.00 O ATOM 1015 CB THR A 63 -2.239 11.239 -7.577 1.00 1.00 C ATOM 1016 OG1 THR A 63 -2.553 12.574 -7.212 1.00 1.00 O ATOM 1017 CG2 THR A 63 -3.163 10.804 -8.711 1.00 1.00 C ATOM 0 H THR A 63 -0.856 11.364 -5.337 1.00 1.00 H new ATOM 0 HA THR A 63 -3.396 10.072 -6.224 1.00 1.00 H new ATOM 0 HB THR A 63 -1.213 11.171 -7.937 1.00 1.00 H new ATOM 0 HG1 THR A 63 -2.484 13.153 -7.999 1.00 1.00 H new ATOM 0 HG21 THR A 63 -3.050 11.486 -9.554 1.00 1.00 H new ATOM 0 HG22 THR A 63 -2.903 9.793 -9.025 1.00 1.00 H new ATOM 0 HG23 THR A 63 -4.197 10.822 -8.365 1.00 1.00 H new ATOM 1025 N TYR A 64 -0.247 9.064 -6.552 1.00 1.00 N ATOM 1026 CA TYR A 64 0.632 7.904 -6.664 1.00 1.00 C ATOM 1027 C TYR A 64 0.432 6.950 -5.488 1.00 1.00 C ATOM 1028 O TYR A 64 0.576 5.749 -5.664 1.00 1.00 O ATOM 1029 CB TYR A 64 2.099 8.356 -6.740 1.00 1.00 C ATOM 1030 CG TYR A 64 3.100 7.280 -7.138 1.00 1.00 C ATOM 1031 CD1 TYR A 64 3.619 6.380 -6.184 1.00 1.00 C ATOM 1032 CD2 TYR A 64 3.550 7.204 -8.468 1.00 1.00 C ATOM 1033 CE1 TYR A 64 4.598 5.438 -6.552 1.00 1.00 C ATOM 1034 CE2 TYR A 64 4.521 6.261 -8.843 1.00 1.00 C ATOM 1035 CZ TYR A 64 5.065 5.380 -7.881 1.00 1.00 C ATOM 1036 OH TYR A 64 6.023 4.475 -8.224 1.00 1.00 O ATOM 0 H TYR A 64 0.260 9.948 -6.511 1.00 1.00 H new ATOM 0 HA TYR A 64 0.378 7.371 -7.580 1.00 1.00 H new ATOM 0 HB2 TYR A 64 2.171 9.176 -7.455 1.00 1.00 H new ATOM 0 HB3 TYR A 64 2.388 8.754 -5.768 1.00 1.00 H new ATOM 0 HD1 TYR A 64 3.263 6.414 -5.165 1.00 1.00 H new ATOM 0 HD2 TYR A 64 3.145 7.878 -9.209 1.00 1.00 H new ATOM 0 HE1 TYR A 64 4.993 4.757 -5.813 1.00 1.00 H new ATOM 0 HE2 TYR A 64 4.853 6.209 -9.869 1.00 1.00 H new ATOM 0 HH TYR A 64 6.232 4.565 -9.177 1.00 1.00 H new ATOM 1046 N GLY A 65 0.082 7.443 -4.295 1.00 1.00 N ATOM 1047 CA GLY A 65 -0.118 6.598 -3.130 1.00 1.00 C ATOM 1048 C GLY A 65 -1.185 5.529 -3.366 1.00 1.00 C ATOM 1049 O GLY A 65 -0.965 4.355 -3.060 1.00 1.00 O ATOM 0 H GLY A 65 -0.068 8.436 -4.118 1.00 1.00 H new ATOM 0 HA2 GLY A 65 0.824 6.116 -2.867 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -0.408 7.216 -2.281 1.00 1.00 H new ATOM 1053 N ALA A 66 -2.338 5.913 -3.919 1.00 1.00 N ATOM 1054 CA ALA A 66 -3.412 4.959 -4.175 1.00 1.00 C ATOM 1055 C ALA A 66 -3.013 3.986 -5.282 1.00 1.00 C ATOM 1056 O ALA A 66 -3.343 2.803 -5.207 1.00 1.00 O ATOM 1057 CB ALA A 66 -4.699 5.704 -4.527 1.00 1.00 C ATOM 0 H ALA A 66 -2.548 6.872 -4.195 1.00 1.00 H new ATOM 0 HA ALA A 66 -3.592 4.375 -3.272 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -5.496 4.985 -4.717 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -4.984 6.350 -3.697 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -4.537 6.309 -5.419 1.00 1.00 H new ATOM 1063 N GLU A 67 -2.279 4.478 -6.280 1.00 1.00 N ATOM 1064 CA GLU A 67 -1.776 3.687 -7.391 1.00 1.00 C ATOM 1065 C GLU A 67 -0.812 2.617 -6.864 1.00 1.00 C ATOM 1066 O GLU A 67 -1.015 1.430 -7.107 1.00 1.00 O ATOM 1067 CB GLU A 67 -1.134 4.620 -8.430 1.00 1.00 C ATOM 1068 CG GLU A 67 -0.857 3.850 -9.720 1.00 1.00 C ATOM 1069 CD GLU A 67 -0.305 4.730 -10.837 1.00 1.00 C ATOM 1070 OE1 GLU A 67 -0.948 5.728 -11.233 1.00 1.00 O ATOM 1071 OE2 GLU A 67 0.775 4.403 -11.379 1.00 1.00 O ATOM 0 H GLU A 67 -2.014 5.462 -6.335 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.588 3.161 -7.892 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -1.796 5.462 -8.634 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -0.205 5.033 -8.036 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -0.147 3.049 -9.512 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -1.779 3.379 -10.060 1.00 1.00 H new ATOM 1078 N LEU A 68 0.196 3.032 -6.090 1.00 1.00 N ATOM 1079 CA LEU A 68 1.157 2.179 -5.401 1.00 1.00 C ATOM 1080 C LEU A 68 0.404 1.120 -4.616 1.00 1.00 C ATOM 1081 O LEU A 68 0.687 -0.065 -4.766 1.00 1.00 O ATOM 1082 CB LEU A 68 2.072 3.034 -4.501 1.00 1.00 C ATOM 1083 CG LEU A 68 3.051 2.199 -3.652 1.00 1.00 C ATOM 1084 CD1 LEU A 68 4.205 3.080 -3.163 1.00 1.00 C ATOM 1085 CD2 LEU A 68 2.367 1.564 -2.433 1.00 1.00 C ATOM 0 H LEU A 68 0.368 4.023 -5.922 1.00 1.00 H new ATOM 0 HA LEU A 68 1.801 1.673 -6.121 1.00 1.00 H new ATOM 0 HB2 LEU A 68 2.641 3.723 -5.125 1.00 1.00 H new ATOM 0 HB3 LEU A 68 1.454 3.640 -3.838 1.00 1.00 H new ATOM 0 HG LEU A 68 3.423 1.399 -4.292 1.00 1.00 H new ATOM 0 HD11 LEU A 68 4.891 2.481 -2.564 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.737 3.492 -4.021 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.809 3.894 -2.556 1.00 1.00 H new ATOM 0 HD21 LEU A 68 3.097 0.986 -1.866 1.00 1.00 H new ATOM 0 HD22 LEU A 68 1.953 2.348 -1.799 1.00 1.00 H new ATOM 0 HD23 LEU A 68 1.564 0.907 -2.768 1.00 1.00 H new ATOM 1097 N THR A 69 -0.540 1.536 -3.774 1.00 1.00 N ATOM 1098 CA THR A 69 -1.255 0.622 -2.901 1.00 1.00 C ATOM 1099 C THR A 69 -1.933 -0.440 -3.766 1.00 1.00 C ATOM 1100 O THR A 69 -1.694 -1.630 -3.569 1.00 1.00 O ATOM 1101 CB THR A 69 -2.213 1.415 -2.001 1.00 1.00 C ATOM 1102 OG1 THR A 69 -1.479 2.380 -1.279 1.00 1.00 O ATOM 1103 CG2 THR A 69 -2.935 0.539 -0.978 1.00 1.00 C ATOM 0 H THR A 69 -0.826 2.511 -3.682 1.00 1.00 H new ATOM 0 HA THR A 69 -0.583 0.095 -2.223 1.00 1.00 H new ATOM 0 HB THR A 69 -2.956 1.864 -2.659 1.00 1.00 H new ATOM 0 HG1 THR A 69 -1.269 3.137 -1.865 1.00 1.00 H new ATOM 0 HG21 THR A 69 -3.597 1.158 -0.372 1.00 1.00 H new ATOM 0 HG22 THR A 69 -3.521 -0.219 -1.497 1.00 1.00 H new ATOM 0 HG23 THR A 69 -2.202 0.053 -0.334 1.00 1.00 H new ATOM 1111 N ALA A 70 -2.706 -0.030 -4.775 1.00 1.00 N ATOM 1112 CA ALA A 70 -3.398 -0.953 -5.656 1.00 1.00 C ATOM 1113 C ALA A 70 -2.422 -1.847 -6.445 1.00 1.00 C ATOM 1114 O ALA A 70 -2.801 -2.960 -6.808 1.00 1.00 O ATOM 1115 CB ALA A 70 -4.248 -0.148 -6.644 1.00 1.00 C ATOM 0 H ALA A 70 -2.865 0.953 -4.998 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.019 -1.603 -5.040 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -4.773 -0.830 -7.312 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -4.973 0.452 -6.095 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -3.603 0.508 -7.229 1.00 1.00 H new ATOM 1121 N ASN A 71 -1.205 -1.380 -6.748 1.00 1.00 N ATOM 1122 CA ASN A 71 -0.167 -2.112 -7.482 1.00 1.00 C ATOM 1123 C ASN A 71 0.398 -3.250 -6.651 1.00 1.00 C ATOM 1124 O ASN A 71 0.429 -4.401 -7.079 1.00 1.00 O ATOM 1125 CB ASN A 71 1.010 -1.189 -7.830 1.00 1.00 C ATOM 1126 CG ASN A 71 2.046 -1.927 -8.670 1.00 1.00 C ATOM 1127 OD1 ASN A 71 1.721 -2.531 -9.689 1.00 1.00 O ATOM 1128 ND2 ASN A 71 3.300 -1.934 -8.253 1.00 1.00 N ATOM 0 H ASN A 71 -0.905 -0.444 -6.477 1.00 1.00 H new ATOM 0 HA ASN A 71 -0.641 -2.497 -8.385 1.00 1.00 H new ATOM 0 HB2 ASN A 71 0.646 -0.318 -8.375 1.00 1.00 H new ATOM 0 HB3 ASN A 71 1.473 -0.821 -6.914 1.00 1.00 H new ATOM 0 HD21 ASN A 71 4.009 -2.445 -8.779 1.00 1.00 H new ATOM 0 HD22 ASN A 71 3.558 -1.429 -7.405 1.00 1.00 H new ATOM 1135 N VAL A 72 0.865 -2.895 -5.460 1.00 1.00 N ATOM 1136 CA VAL A 72 1.365 -3.839 -4.459 1.00 1.00 C ATOM 1137 C VAL A 72 0.274 -4.883 -4.179 1.00 1.00 C ATOM 1138 O VAL A 72 0.532 -6.087 -4.216 1.00 1.00 O ATOM 1139 CB VAL A 72 1.784 -3.080 -3.182 1.00 1.00 C ATOM 1140 CG1 VAL A 72 2.264 -4.031 -2.077 1.00 1.00 C ATOM 1141 CG2 VAL A 72 2.920 -2.071 -3.418 1.00 1.00 C ATOM 0 H VAL A 72 0.909 -1.923 -5.153 1.00 1.00 H new ATOM 0 HA VAL A 72 2.250 -4.357 -4.829 1.00 1.00 H new ATOM 0 HB VAL A 72 0.880 -2.552 -2.879 1.00 1.00 H new ATOM 0 HG11 VAL A 72 2.548 -3.453 -1.198 1.00 1.00 H new ATOM 0 HG12 VAL A 72 1.460 -4.719 -1.815 1.00 1.00 H new ATOM 0 HG13 VAL A 72 3.125 -4.597 -2.433 1.00 1.00 H new ATOM 0 HG21 VAL A 72 3.165 -1.573 -2.480 1.00 1.00 H new ATOM 0 HG22 VAL A 72 3.800 -2.595 -3.791 1.00 1.00 H new ATOM 0 HG23 VAL A 72 2.601 -1.329 -4.150 1.00 1.00 H new ATOM 1151 N LEU A 73 -0.959 -4.428 -3.938 1.00 1.00 N ATOM 1152 CA LEU A 73 -2.118 -5.290 -3.749 1.00 1.00 C ATOM 1153 C LEU A 73 -2.280 -6.216 -4.960 1.00 1.00 C ATOM 1154 O LEU A 73 -2.425 -7.425 -4.792 1.00 1.00 O ATOM 1155 CB LEU A 73 -3.354 -4.413 -3.481 1.00 1.00 C ATOM 1156 CG LEU A 73 -3.390 -3.775 -2.072 1.00 1.00 C ATOM 1157 CD1 LEU A 73 -4.521 -2.744 -2.010 1.00 1.00 C ATOM 1158 CD2 LEU A 73 -3.534 -4.732 -0.885 1.00 1.00 C ATOM 0 H LEU A 73 -1.178 -3.434 -3.869 1.00 1.00 H new ATOM 0 HA LEU A 73 -1.986 -5.938 -2.882 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -3.390 -3.619 -4.227 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -4.250 -5.018 -3.616 1.00 1.00 H new ATOM 0 HG LEU A 73 -2.402 -3.330 -1.956 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -4.548 -2.293 -1.018 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -4.348 -1.969 -2.756 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -5.473 -3.235 -2.211 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -3.546 -4.161 0.043 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.465 -5.291 -0.979 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -2.694 -5.426 -0.873 1.00 1.00 H new ATOM 1170 N ARG A 74 -2.193 -5.686 -6.185 1.00 1.00 N ATOM 1171 CA ARG A 74 -2.223 -6.510 -7.396 1.00 1.00 C ATOM 1172 C ARG A 74 -1.142 -7.596 -7.350 1.00 1.00 C ATOM 1173 O ARG A 74 -1.445 -8.747 -7.678 1.00 1.00 O ATOM 1174 CB ARG A 74 -2.151 -5.678 -8.700 1.00 1.00 C ATOM 1175 CG ARG A 74 -2.540 -6.557 -9.900 1.00 1.00 C ATOM 1176 CD ARG A 74 -2.047 -6.065 -11.261 1.00 1.00 C ATOM 1177 NE ARG A 74 -2.818 -4.943 -11.801 1.00 1.00 N ATOM 1178 CZ ARG A 74 -3.973 -5.059 -12.474 1.00 1.00 C ATOM 1179 NH1 ARG A 74 -4.666 -6.195 -12.473 1.00 1.00 N ATOM 1180 NH2 ARG A 74 -4.467 -4.016 -13.133 1.00 1.00 N ATOM 0 H ARG A 74 -2.101 -4.686 -6.363 1.00 1.00 H new ATOM 0 HA ARG A 74 -3.195 -7.003 -7.414 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -2.821 -4.821 -8.633 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -1.143 -5.285 -8.837 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -2.152 -7.562 -9.734 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -3.627 -6.637 -9.933 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -1.003 -5.766 -11.172 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -2.082 -6.892 -11.970 1.00 1.00 H new ATOM 0 HE ARG A 74 -2.449 -4.003 -11.655 1.00 1.00 H new ATOM 0 HH11 ARG A 74 -4.322 -7.002 -11.953 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -5.542 -6.259 -12.992 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -3.968 -3.126 -13.127 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -5.345 -4.105 -13.644 1.00 1.00 H new ATOM 1194 N ASP A 75 0.092 -7.267 -6.959 1.00 1.00 N ATOM 1195 CA ASP A 75 1.202 -8.221 -6.845 1.00 1.00 C ATOM 1196 C ASP A 75 0.861 -9.328 -5.838 1.00 1.00 C ATOM 1197 O ASP A 75 1.174 -10.493 -6.076 1.00 1.00 O ATOM 1198 CB ASP A 75 2.499 -7.474 -6.498 1.00 1.00 C ATOM 1199 CG ASP A 75 3.762 -8.330 -6.659 1.00 1.00 C ATOM 1200 OD1 ASP A 75 3.927 -9.342 -5.944 1.00 1.00 O ATOM 1201 OD2 ASP A 75 4.625 -7.989 -7.499 1.00 1.00 O ATOM 0 H ASP A 75 0.354 -6.314 -6.708 1.00 1.00 H new ATOM 0 HA ASP A 75 1.362 -8.715 -7.803 1.00 1.00 H new ATOM 0 HB2 ASP A 75 2.583 -6.594 -7.135 1.00 1.00 H new ATOM 0 HB3 ASP A 75 2.440 -7.118 -5.469 1.00 1.00 H new ATOM 1206 N MET A 76 0.132 -9.017 -4.756 1.00 1.00 N ATOM 1207 CA MET A 76 -0.342 -10.026 -3.793 1.00 1.00 C ATOM 1208 C MET A 76 -1.375 -11.004 -4.391 1.00 1.00 C ATOM 1209 O MET A 76 -1.701 -11.996 -3.733 1.00 1.00 O ATOM 1210 CB MET A 76 -0.958 -9.372 -2.540 1.00 1.00 C ATOM 1211 CG MET A 76 0.001 -8.482 -1.748 1.00 1.00 C ATOM 1212 SD MET A 76 -0.810 -7.514 -0.448 1.00 1.00 S ATOM 1213 CE MET A 76 -1.083 -8.773 0.828 1.00 1.00 C ATOM 0 H MET A 76 -0.145 -8.063 -4.523 1.00 1.00 H new ATOM 0 HA MET A 76 0.549 -10.592 -3.521 1.00 1.00 H new ATOM 0 HB2 MET A 76 -1.819 -8.776 -2.844 1.00 1.00 H new ATOM 0 HB3 MET A 76 -1.330 -10.158 -1.882 1.00 1.00 H new ATOM 0 HG2 MET A 76 0.773 -9.106 -1.297 1.00 1.00 H new ATOM 0 HG3 MET A 76 0.503 -7.802 -2.436 1.00 1.00 H new ATOM 0 HE1 MET A 76 -1.798 -8.399 1.561 1.00 1.00 H new ATOM 0 HE2 MET A 76 -1.476 -9.679 0.367 1.00 1.00 H new ATOM 0 HE3 MET A 76 -0.139 -8.999 1.324 1.00 1.00 H new ATOM 1223 N GLY A 77 -1.906 -10.747 -5.591 1.00 1.00 N ATOM 1224 CA GLY A 77 -2.903 -11.570 -6.289 1.00 1.00 C ATOM 1225 C GLY A 77 -4.345 -11.067 -6.118 1.00 1.00 C ATOM 1226 O GLY A 77 -5.266 -11.585 -6.748 1.00 1.00 O ATOM 0 H GLY A 77 -1.641 -9.921 -6.128 1.00 1.00 H new ATOM 0 HA2 GLY A 77 -2.660 -11.597 -7.351 1.00 1.00 H new ATOM 0 HA3 GLY A 77 -2.838 -12.594 -5.921 1.00 1.00 H new ATOM 1230 N LEU A 78 -4.536 -10.054 -5.279 1.00 1.00 N ATOM 1231 CA LEU A 78 -5.760 -9.344 -4.931 1.00 1.00 C ATOM 1232 C LEU A 78 -6.159 -8.430 -6.090 1.00 1.00 C ATOM 1233 O LEU A 78 -5.318 -7.693 -6.608 1.00 1.00 O ATOM 1234 CB LEU A 78 -5.468 -8.591 -3.627 1.00 1.00 C ATOM 1235 CG LEU A 78 -6.491 -7.571 -3.096 1.00 1.00 C ATOM 1236 CD1 LEU A 78 -5.894 -7.049 -1.790 1.00 1.00 C ATOM 1237 CD2 LEU A 78 -6.701 -6.362 -4.020 1.00 1.00 C ATOM 0 H LEU A 78 -3.743 -9.667 -4.768 1.00 1.00 H new ATOM 0 HA LEU A 78 -6.609 -10.008 -4.769 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -5.315 -9.336 -2.847 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -4.521 -8.067 -3.757 1.00 1.00 H new ATOM 0 HG LEU A 78 -7.459 -8.062 -2.999 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -6.568 -6.314 -1.350 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -5.757 -7.878 -1.096 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -4.930 -6.582 -1.992 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -7.435 -5.689 -3.577 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -5.756 -5.834 -4.149 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -7.061 -6.704 -4.991 1.00 1.00 H new ATOM 1249 N GLN A 79 -7.395 -8.533 -6.569 1.00 1.00 N ATOM 1250 CA GLN A 79 -7.956 -7.655 -7.607 1.00 1.00 C ATOM 1251 C GLN A 79 -9.188 -6.866 -7.141 1.00 1.00 C ATOM 1252 O GLN A 79 -9.431 -5.750 -7.608 1.00 1.00 O ATOM 1253 CB GLN A 79 -8.211 -8.437 -8.912 1.00 1.00 C ATOM 1254 CG GLN A 79 -8.766 -9.869 -8.792 1.00 1.00 C ATOM 1255 CD GLN A 79 -10.253 -9.999 -8.461 1.00 1.00 C ATOM 1256 OE1 GLN A 79 -11.109 -9.964 -9.338 1.00 1.00 O ATOM 1257 NE2 GLN A 79 -10.622 -10.286 -7.227 1.00 1.00 N ATOM 0 H GLN A 79 -8.053 -9.241 -6.244 1.00 1.00 H new ATOM 0 HA GLN A 79 -7.202 -6.896 -7.817 1.00 1.00 H new ATOM 0 HB2 GLN A 79 -8.906 -7.858 -9.520 1.00 1.00 H new ATOM 0 HB3 GLN A 79 -7.271 -8.487 -9.462 1.00 1.00 H new ATOM 0 HG2 GLN A 79 -8.579 -10.387 -9.733 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -8.198 -10.392 -8.022 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -9.926 -10.321 -6.482 1.00 1.00 H new ATOM 0 HE22 GLN A 79 -11.603 -10.473 -7.018 1.00 1.00 H new ATOM 1266 N GLU A 80 -9.915 -7.401 -6.165 1.00 1.00 N ATOM 1267 CA GLU A 80 -11.168 -6.895 -5.640 1.00 1.00 C ATOM 1268 C GLU A 80 -11.001 -5.513 -5.001 1.00 1.00 C ATOM 1269 O GLU A 80 -11.475 -4.510 -5.543 1.00 1.00 O ATOM 1270 CB GLU A 80 -11.786 -7.957 -4.701 1.00 1.00 C ATOM 1271 CG GLU A 80 -10.960 -8.538 -3.521 1.00 1.00 C ATOM 1272 CD GLU A 80 -10.034 -9.724 -3.836 1.00 1.00 C ATOM 1273 OE1 GLU A 80 -9.310 -9.731 -4.859 1.00 1.00 O ATOM 1274 OE2 GLU A 80 -9.963 -10.661 -3.014 1.00 1.00 O ATOM 0 H GLU A 80 -9.621 -8.256 -5.692 1.00 1.00 H new ATOM 0 HA GLU A 80 -11.874 -6.731 -6.454 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -12.693 -7.524 -4.278 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -12.094 -8.797 -5.323 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -10.352 -7.735 -3.105 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -11.655 -8.849 -2.741 1.00 1.00 H new ATOM 1281 N MET A 81 -10.256 -5.451 -3.898 1.00 1.00 N ATOM 1282 CA MET A 81 -9.965 -4.239 -3.155 1.00 1.00 C ATOM 1283 C MET A 81 -9.195 -3.274 -4.038 1.00 1.00 C ATOM 1284 O MET A 81 -9.522 -2.105 -4.020 1.00 1.00 O ATOM 1285 CB MET A 81 -9.284 -4.618 -1.835 1.00 1.00 C ATOM 1286 CG MET A 81 -8.840 -3.402 -1.019 1.00 1.00 C ATOM 1287 SD MET A 81 -9.519 -3.365 0.659 1.00 1.00 S ATOM 1288 CE MET A 81 -8.464 -4.599 1.455 1.00 1.00 C ATOM 0 H MET A 81 -9.825 -6.279 -3.487 1.00 1.00 H new ATOM 0 HA MET A 81 -10.870 -3.701 -2.875 1.00 1.00 H new ATOM 0 HB2 MET A 81 -9.971 -5.218 -1.238 1.00 1.00 H new ATOM 0 HB3 MET A 81 -8.416 -5.243 -2.047 1.00 1.00 H new ATOM 0 HG2 MET A 81 -7.752 -3.392 -0.961 1.00 1.00 H new ATOM 0 HG3 MET A 81 -9.140 -2.495 -1.543 1.00 1.00 H new ATOM 0 HE1 MET A 81 -8.750 -4.701 2.502 1.00 1.00 H new ATOM 0 HE2 MET A 81 -8.582 -5.558 0.951 1.00 1.00 H new ATOM 0 HE3 MET A 81 -7.423 -4.282 1.392 1.00 1.00 H new ATOM 1298 N ALA A 82 -8.251 -3.720 -4.863 1.00 1.00 N ATOM 1299 CA ALA A 82 -7.547 -2.855 -5.805 1.00 1.00 C ATOM 1300 C ALA A 82 -8.525 -2.084 -6.712 1.00 1.00 C ATOM 1301 O ALA A 82 -8.344 -0.875 -6.917 1.00 1.00 O ATOM 1302 CB ALA A 82 -6.557 -3.688 -6.624 1.00 1.00 C ATOM 0 H ALA A 82 -7.952 -4.695 -4.897 1.00 1.00 H new ATOM 0 HA ALA A 82 -6.992 -2.105 -5.241 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -6.032 -3.041 -7.327 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -5.836 -4.158 -5.955 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -7.097 -4.459 -7.174 1.00 1.00 H new ATOM 1308 N GLY A 83 -9.542 -2.763 -7.253 1.00 1.00 N ATOM 1309 CA GLY A 83 -10.586 -2.122 -8.045 1.00 1.00 C ATOM 1310 C GLY A 83 -11.344 -1.092 -7.209 1.00 1.00 C ATOM 1311 O GLY A 83 -11.410 0.082 -7.586 1.00 1.00 O ATOM 0 H GLY A 83 -9.661 -3.771 -7.152 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -10.143 -1.637 -8.915 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -11.279 -2.875 -8.419 1.00 1.00 H new ATOM 1315 N GLN A 84 -11.871 -1.515 -6.056 1.00 1.00 N ATOM 1316 CA GLN A 84 -12.654 -0.671 -5.155 1.00 1.00 C ATOM 1317 C GLN A 84 -11.869 0.553 -4.692 1.00 1.00 C ATOM 1318 O GLN A 84 -12.426 1.645 -4.620 1.00 1.00 O ATOM 1319 CB GLN A 84 -13.117 -1.507 -3.956 1.00 1.00 C ATOM 1320 CG GLN A 84 -14.292 -2.430 -4.302 1.00 1.00 C ATOM 1321 CD GLN A 84 -15.625 -1.712 -4.113 1.00 1.00 C ATOM 1322 OE1 GLN A 84 -16.206 -1.769 -3.031 1.00 1.00 O ATOM 1323 NE2 GLN A 84 -16.126 -1.015 -5.114 1.00 1.00 N ATOM 0 H GLN A 84 -11.762 -2.471 -5.719 1.00 1.00 H new ATOM 0 HA GLN A 84 -13.522 -0.299 -5.699 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -12.283 -2.107 -3.592 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -13.409 -0.841 -3.144 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -14.201 -2.770 -5.334 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -14.260 -3.318 -3.670 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -15.633 -0.977 -6.006 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -17.007 -0.514 -4.996 1.00 1.00 H new ATOM 1332 N LEU A 85 -10.584 0.368 -4.409 1.00 1.00 N ATOM 1333 CA LEU A 85 -9.603 1.338 -3.959 1.00 1.00 C ATOM 1334 C LEU A 85 -9.423 2.418 -5.016 1.00 1.00 C ATOM 1335 O LEU A 85 -9.518 3.606 -4.695 1.00 1.00 O ATOM 1336 CB LEU A 85 -8.296 0.570 -3.701 1.00 1.00 C ATOM 1337 CG LEU A 85 -7.125 1.378 -3.151 1.00 1.00 C ATOM 1338 CD1 LEU A 85 -7.362 1.652 -1.679 1.00 1.00 C ATOM 1339 CD2 LEU A 85 -5.854 0.536 -3.220 1.00 1.00 C ATOM 0 H LEU A 85 -10.167 -0.558 -4.499 1.00 1.00 H new ATOM 0 HA LEU A 85 -9.922 1.839 -3.045 1.00 1.00 H new ATOM 0 HB2 LEU A 85 -8.509 -0.239 -3.003 1.00 1.00 H new ATOM 0 HB3 LEU A 85 -7.982 0.109 -4.637 1.00 1.00 H new ATOM 0 HG LEU A 85 -7.032 2.298 -3.728 1.00 1.00 H new ATOM 0 HD11 LEU A 85 -6.529 2.229 -1.278 1.00 1.00 H new ATOM 0 HD12 LEU A 85 -8.287 2.217 -1.558 1.00 1.00 H new ATOM 0 HD13 LEU A 85 -7.441 0.707 -1.141 1.00 1.00 H new ATOM 0 HD21 LEU A 85 -5.015 1.111 -2.828 1.00 1.00 H new ATOM 0 HD22 LEU A 85 -5.984 -0.368 -2.626 1.00 1.00 H new ATOM 0 HD23 LEU A 85 -5.654 0.263 -4.256 1.00 1.00 H new ATOM 1351 N GLN A 86 -9.182 2.023 -6.276 1.00 1.00 N ATOM 1352 CA GLN A 86 -9.101 3.011 -7.347 1.00 1.00 C ATOM 1353 C GLN A 86 -10.434 3.758 -7.471 1.00 1.00 C ATOM 1354 O GLN A 86 -10.434 4.987 -7.501 1.00 1.00 O ATOM 1355 CB GLN A 86 -8.697 2.361 -8.675 1.00 1.00 C ATOM 1356 CG GLN A 86 -8.270 3.432 -9.694 1.00 1.00 C ATOM 1357 CD GLN A 86 -8.102 2.840 -11.086 1.00 1.00 C ATOM 1358 OE1 GLN A 86 -6.997 2.470 -11.478 1.00 1.00 O ATOM 1359 NE2 GLN A 86 -9.174 2.704 -11.841 1.00 1.00 N ATOM 0 H GLN A 86 -9.044 1.055 -6.567 1.00 1.00 H new ATOM 0 HA GLN A 86 -8.323 3.733 -7.096 1.00 1.00 H new ATOM 0 HB2 GLN A 86 -7.878 1.662 -8.509 1.00 1.00 H new ATOM 0 HB3 GLN A 86 -9.532 1.785 -9.073 1.00 1.00 H new ATOM 0 HG2 GLN A 86 -9.016 4.227 -9.723 1.00 1.00 H new ATOM 0 HG3 GLN A 86 -7.332 3.886 -9.375 1.00 1.00 H new ATOM 0 HE21 GLN A 86 -10.082 3.017 -11.498 1.00 1.00 H new ATOM 0 HE22 GLN A 86 -9.095 2.286 -12.768 1.00 1.00 H new ATOM 1368 N ALA A 87 -11.562 3.041 -7.506 1.00 1.00 N ATOM 1369 CA ALA A 87 -12.881 3.645 -7.674 1.00 1.00 C ATOM 1370 C ALA A 87 -13.278 4.534 -6.489 1.00 1.00 C ATOM 1371 O ALA A 87 -14.089 5.440 -6.654 1.00 1.00 O ATOM 1372 CB ALA A 87 -13.911 2.552 -7.947 1.00 1.00 C ATOM 0 H ALA A 87 -11.583 2.025 -7.418 1.00 1.00 H new ATOM 0 HA ALA A 87 -12.844 4.313 -8.535 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -14.895 3.003 -8.072 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -13.639 2.015 -8.856 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -13.935 1.857 -7.108 1.00 1.00 H new ATOM 1378 N ALA A 88 -12.739 4.303 -5.292 1.00 1.00 N ATOM 1379 CA ALA A 88 -12.961 5.161 -4.136 1.00 1.00 C ATOM 1380 C ALA A 88 -12.146 6.440 -4.334 1.00 1.00 C ATOM 1381 O ALA A 88 -12.625 7.549 -4.100 1.00 1.00 O ATOM 1382 CB ALA A 88 -12.551 4.429 -2.855 1.00 1.00 C ATOM 0 H ALA A 88 -12.131 3.507 -5.099 1.00 1.00 H new ATOM 0 HA ALA A 88 -14.016 5.417 -4.040 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -12.720 5.077 -1.995 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -13.146 3.522 -2.748 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -11.495 4.166 -2.909 1.00 1.00 H new ATOM 1388 N THR A 89 -10.904 6.289 -4.791 1.00 1.00 N ATOM 1389 CA THR A 89 -9.987 7.395 -4.990 1.00 1.00 C ATOM 1390 C THR A 89 -10.448 8.338 -6.107 1.00 1.00 C ATOM 1391 O THR A 89 -10.401 9.567 -5.971 1.00 1.00 O ATOM 1392 CB THR A 89 -8.574 6.832 -5.216 1.00 1.00 C ATOM 1393 OG1 THR A 89 -8.213 5.977 -4.148 1.00 1.00 O ATOM 1394 CG2 THR A 89 -7.567 7.979 -5.283 1.00 1.00 C ATOM 0 H THR A 89 -10.507 5.381 -5.035 1.00 1.00 H new ATOM 0 HA THR A 89 -9.970 8.017 -4.095 1.00 1.00 H new ATOM 0 HB THR A 89 -8.569 6.273 -6.152 1.00 1.00 H new ATOM 0 HG1 THR A 89 -8.577 5.081 -4.309 1.00 1.00 H new ATOM 0 HG21 THR A 89 -6.567 7.576 -5.443 1.00 1.00 H new ATOM 0 HG22 THR A 89 -7.827 8.644 -6.107 1.00 1.00 H new ATOM 0 HG23 THR A 89 -7.588 8.537 -4.347 1.00 1.00 H new ATOM 1402 N HIS A 90 -10.866 7.760 -7.220 1.00 1.00 N ATOM 1403 CA HIS A 90 -11.299 8.420 -8.435 1.00 1.00 C ATOM 1404 C HIS A 90 -12.328 7.525 -9.123 1.00 1.00 C ATOM 1405 O HIS A 90 -11.961 6.670 -9.938 1.00 1.00 O ATOM 1406 CB HIS A 90 -10.085 8.743 -9.330 1.00 1.00 C ATOM 1407 CG HIS A 90 -10.388 9.751 -10.412 1.00 1.00 C ATOM 1408 ND1 HIS A 90 -9.808 10.997 -10.533 1.00 1.00 N ATOM 1409 CD2 HIS A 90 -11.341 9.644 -11.394 1.00 1.00 C ATOM 1410 CE1 HIS A 90 -10.388 11.627 -11.564 1.00 1.00 C ATOM 1411 NE2 HIS A 90 -11.349 10.854 -12.095 1.00 1.00 N ATOM 0 H HIS A 90 -10.914 6.744 -7.302 1.00 1.00 H new ATOM 0 HA HIS A 90 -11.773 9.376 -8.214 1.00 1.00 H new ATOM 0 HB2 HIS A 90 -9.275 9.122 -8.707 1.00 1.00 H new ATOM 0 HB3 HIS A 90 -9.728 7.822 -9.791 1.00 1.00 H new ATOM 0 HD2 HIS A 90 -11.967 8.786 -11.589 1.00 1.00 H new ATOM 0 HE1 HIS A 90 -10.121 12.612 -11.916 1.00 1.00 H new ATOM 0 HE2 HIS A 90 -11.969 11.103 -12.866 1.00 1.00 H new ATOM 1419 N GLN A 91 -13.603 7.698 -8.774 1.00 1.00 N ATOM 1420 CA GLN A 91 -14.697 6.949 -9.371 1.00 1.00 C ATOM 1421 C GLN A 91 -14.820 7.335 -10.833 1.00 1.00 C ATOM 1422 O GLN A 91 -14.815 6.440 -11.704 1.00 1.00 O ATOM 1423 CB GLN A 91 -16.004 7.213 -8.601 1.00 1.00 C ATOM 1424 CG GLN A 91 -17.060 6.161 -8.968 1.00 1.00 C ATOM 1425 CD GLN A 91 -18.335 6.267 -8.129 1.00 1.00 C ATOM 1426 OE1 GLN A 91 -18.753 7.350 -7.715 1.00 1.00 O ATOM 1427 NE2 GLN A 91 -18.988 5.151 -7.859 1.00 1.00 N ATOM 1428 OXT GLN A 91 -14.962 8.544 -11.111 1.00 1.00 O ATOM 0 H GLN A 91 -13.902 8.367 -8.064 1.00 1.00 H new ATOM 0 HA GLN A 91 -14.495 5.880 -9.311 1.00 1.00 H new ATOM 0 HB2 GLN A 91 -15.813 7.188 -7.528 1.00 1.00 H new ATOM 0 HB3 GLN A 91 -16.377 8.210 -8.835 1.00 1.00 H new ATOM 0 HG2 GLN A 91 -17.317 6.266 -10.022 1.00 1.00 H new ATOM 0 HG3 GLN A 91 -16.632 5.167 -8.842 1.00 1.00 H new ATOM 0 HE21 GLN A 91 -18.637 4.258 -8.205 1.00 1.00 H new ATOM 0 HE22 GLN A 91 -19.844 5.182 -7.305 1.00 1.00 H new TER 1437 GLN A 91