USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 512 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 45 ASN : amide:sc= 0.439 K(o=0.48,f=-5!) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= 0.0397 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.09 (180deg=0) USER MOD Single : A 2 SER OG : rot 49:sc= 0.00774 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -155:sc= -0.155 (180deg=-0.656) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 21 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00186) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.204 F(o=-1.3!,f=-0.2) USER MOD Single : A 37 SER OG : rot 180:sc= 0.00329 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 161:sc= -0.143 (180deg=-0.629) USER MOD Single : A 48 ASN : amide:sc=-0.00396 X(o=-0.004,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= 2.38 (180deg=1.59) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 130:sc= 0.544 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -167:sc=-0.00213 (180deg=-0.136) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.504 -23.936 -8.485 1.00 0.00 N ATOM 2 CA GLY A 1 3.500 -22.556 -7.945 1.00 0.00 C ATOM 3 C GLY A 1 4.670 -21.739 -8.448 1.00 0.00 C ATOM 4 O GLY A 1 5.474 -22.219 -9.250 1.00 0.00 O ATOM 0 H1 GLY A 1 2.615 -24.112 -8.996 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.306 -24.051 -9.137 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.593 -24.615 -7.702 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.569 -22.062 -8.223 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.528 -22.594 -6.856 1.00 0.00 H new ATOM 8 N SER A 2 4.758 -20.501 -7.991 1.00 0.00 N ATOM 9 CA SER A 2 5.876 -19.638 -8.325 1.00 0.00 C ATOM 10 C SER A 2 6.455 -19.020 -7.055 1.00 0.00 C ATOM 11 O SER A 2 5.905 -18.062 -6.505 1.00 0.00 O ATOM 12 CB SER A 2 5.432 -18.559 -9.318 1.00 0.00 C ATOM 13 OG SER A 2 4.151 -18.050 -8.981 1.00 0.00 O ATOM 0 H SER A 2 4.062 -20.070 -7.383 1.00 0.00 H new ATOM 0 HA SER A 2 6.658 -20.229 -8.801 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.159 -17.747 -9.326 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.408 -18.975 -10.325 1.00 0.00 H new ATOM 0 HG SER A 2 4.130 -17.822 -8.028 1.00 0.00 H new ATOM 19 N MET A 3 7.544 -19.599 -6.571 1.00 0.00 N ATOM 20 CA MET A 3 8.161 -19.157 -5.327 1.00 0.00 C ATOM 21 C MET A 3 8.996 -17.903 -5.551 1.00 0.00 C ATOM 22 O MET A 3 10.212 -17.973 -5.738 1.00 0.00 O ATOM 23 CB MET A 3 9.025 -20.269 -4.717 1.00 0.00 C ATOM 24 CG MET A 3 8.230 -21.461 -4.189 1.00 0.00 C ATOM 25 SD MET A 3 7.343 -22.360 -5.484 1.00 0.00 S ATOM 26 CE MET A 3 6.511 -23.612 -4.511 1.00 0.00 C ATOM 0 H MET A 3 8.021 -20.379 -7.022 1.00 0.00 H new ATOM 0 HA MET A 3 7.361 -18.919 -4.626 1.00 0.00 H new ATOM 0 HB2 MET A 3 9.729 -20.621 -5.471 1.00 0.00 H new ATOM 0 HB3 MET A 3 9.614 -19.850 -3.902 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.909 -22.146 -3.681 1.00 0.00 H new ATOM 0 HG3 MET A 3 7.515 -21.111 -3.445 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.920 -24.250 -5.168 1.00 0.00 H new ATOM 0 HE2 MET A 3 7.251 -24.217 -3.987 1.00 0.00 H new ATOM 0 HE3 MET A 3 5.855 -23.132 -3.785 1.00 0.00 H new ATOM 36 N ALA A 4 8.324 -16.763 -5.566 1.00 0.00 N ATOM 37 CA ALA A 4 8.978 -15.476 -5.732 1.00 0.00 C ATOM 38 C ALA A 4 8.089 -14.366 -5.188 1.00 0.00 C ATOM 39 O ALA A 4 6.866 -14.413 -5.340 1.00 0.00 O ATOM 40 CB ALA A 4 9.297 -15.227 -7.202 1.00 0.00 C ATOM 0 H ALA A 4 7.311 -16.704 -5.464 1.00 0.00 H new ATOM 0 HA ALA A 4 9.914 -15.484 -5.173 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.786 -14.259 -7.309 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.959 -16.011 -7.568 1.00 0.00 H new ATOM 0 HB3 ALA A 4 8.373 -15.233 -7.781 1.00 0.00 H new ATOM 46 N GLU A 5 8.696 -13.385 -4.537 1.00 0.00 N ATOM 47 CA GLU A 5 7.961 -12.241 -4.021 1.00 0.00 C ATOM 48 C GLU A 5 8.493 -10.952 -4.625 1.00 0.00 C ATOM 49 O GLU A 5 9.690 -10.825 -4.885 1.00 0.00 O ATOM 50 CB GLU A 5 8.049 -12.178 -2.496 1.00 0.00 C ATOM 51 CG GLU A 5 7.312 -13.305 -1.799 1.00 0.00 C ATOM 52 CD GLU A 5 7.280 -13.130 -0.297 1.00 0.00 C ATOM 53 OE1 GLU A 5 6.563 -12.227 0.188 1.00 0.00 O ATOM 54 OE2 GLU A 5 7.957 -13.901 0.412 1.00 0.00 O ATOM 0 H GLU A 5 9.699 -13.359 -4.353 1.00 0.00 H new ATOM 0 HA GLU A 5 6.914 -12.359 -4.302 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.098 -12.203 -2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.644 -11.225 -2.156 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.291 -13.357 -2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.791 -14.254 -2.042 1.00 0.00 H new ATOM 61 N GLU A 6 7.589 -10.013 -4.858 1.00 0.00 N ATOM 62 CA GLU A 6 7.947 -8.705 -5.388 1.00 0.00 C ATOM 63 C GLU A 6 8.393 -7.778 -4.255 1.00 0.00 C ATOM 64 O GLU A 6 8.564 -8.216 -3.113 1.00 0.00 O ATOM 65 CB GLU A 6 6.745 -8.108 -6.127 1.00 0.00 C ATOM 66 CG GLU A 6 6.318 -8.925 -7.338 1.00 0.00 C ATOM 67 CD GLU A 6 4.881 -8.671 -7.749 1.00 0.00 C ATOM 68 OE1 GLU A 6 3.978 -9.313 -7.165 1.00 0.00 O ATOM 69 OE2 GLU A 6 4.646 -7.849 -8.659 1.00 0.00 O ATOM 0 H GLU A 6 6.591 -10.134 -4.686 1.00 0.00 H new ATOM 0 HA GLU A 6 8.777 -8.814 -6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.905 -8.028 -5.436 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.991 -7.096 -6.448 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.976 -8.693 -8.176 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.445 -9.985 -7.117 1.00 0.00 H new ATOM 76 N VAL A 7 8.584 -6.504 -4.568 1.00 0.00 N ATOM 77 CA VAL A 7 9.005 -5.530 -3.573 1.00 0.00 C ATOM 78 C VAL A 7 7.836 -5.140 -2.670 1.00 0.00 C ATOM 79 O VAL A 7 6.879 -4.488 -3.100 1.00 0.00 O ATOM 80 CB VAL A 7 9.625 -4.277 -4.228 1.00 0.00 C ATOM 81 CG1 VAL A 7 10.989 -4.611 -4.807 1.00 0.00 C ATOM 82 CG2 VAL A 7 8.718 -3.711 -5.312 1.00 0.00 C ATOM 0 H VAL A 7 8.454 -6.121 -5.504 1.00 0.00 H new ATOM 0 HA VAL A 7 9.776 -5.999 -2.962 1.00 0.00 H new ATOM 0 HB VAL A 7 9.740 -3.516 -3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.417 -3.720 -5.267 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.647 -4.960 -4.011 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.883 -5.392 -5.560 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.184 -2.830 -5.753 1.00 0.00 H new ATOM 0 HG22 VAL A 7 8.561 -4.464 -6.085 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.758 -3.434 -4.875 1.00 0.00 H new ATOM 92 N VAL A 8 7.912 -5.564 -1.418 1.00 0.00 N ATOM 93 CA VAL A 8 6.821 -5.372 -0.482 1.00 0.00 C ATOM 94 C VAL A 8 7.130 -4.294 0.543 1.00 0.00 C ATOM 95 O VAL A 8 8.229 -4.222 1.099 1.00 0.00 O ATOM 96 CB VAL A 8 6.462 -6.684 0.242 1.00 0.00 C ATOM 97 CG1 VAL A 8 5.410 -6.450 1.315 1.00 0.00 C ATOM 98 CG2 VAL A 8 5.966 -7.703 -0.759 1.00 0.00 C ATOM 0 H VAL A 8 8.722 -6.045 -1.028 1.00 0.00 H new ATOM 0 HA VAL A 8 5.965 -5.047 -1.073 1.00 0.00 H new ATOM 0 HB VAL A 8 7.361 -7.063 0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.177 -7.394 1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.791 -5.741 2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.506 -6.047 0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.714 -8.629 -0.241 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.080 -7.316 -1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.746 -7.900 -1.495 1.00 0.00 H new ATOM 108 N VAL A 9 6.132 -3.475 0.780 1.00 0.00 N ATOM 109 CA VAL A 9 6.192 -2.419 1.758 1.00 0.00 C ATOM 110 C VAL A 9 5.164 -2.687 2.854 1.00 0.00 C ATOM 111 O VAL A 9 4.423 -3.667 2.780 1.00 0.00 O ATOM 112 CB VAL A 9 5.908 -1.068 1.091 1.00 0.00 C ATOM 113 CG1 VAL A 9 7.107 -0.618 0.273 1.00 0.00 C ATOM 114 CG2 VAL A 9 4.667 -1.173 0.219 1.00 0.00 C ATOM 0 H VAL A 9 5.240 -3.527 0.288 1.00 0.00 H new ATOM 0 HA VAL A 9 7.189 -2.389 2.197 1.00 0.00 H new ATOM 0 HB VAL A 9 5.728 -0.321 1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.889 0.343 -0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.975 -0.516 0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.319 -1.357 -0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.471 -0.210 -0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.826 -1.928 -0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.813 -1.457 0.834 1.00 0.00 H new ATOM 124 N VAL A 10 5.105 -1.837 3.861 1.00 0.00 N ATOM 125 CA VAL A 10 4.154 -2.034 4.946 1.00 0.00 C ATOM 126 C VAL A 10 3.487 -0.709 5.314 1.00 0.00 C ATOM 127 O VAL A 10 4.089 0.357 5.192 1.00 0.00 O ATOM 128 CB VAL A 10 4.843 -2.655 6.188 1.00 0.00 C ATOM 129 CG1 VAL A 10 5.893 -1.713 6.764 1.00 0.00 C ATOM 130 CG2 VAL A 10 3.823 -3.040 7.254 1.00 0.00 C ATOM 0 H VAL A 10 5.696 -1.011 3.954 1.00 0.00 H new ATOM 0 HA VAL A 10 3.389 -2.730 4.602 1.00 0.00 H new ATOM 0 HB VAL A 10 5.347 -3.565 5.861 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.359 -2.176 7.634 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.653 -1.511 6.010 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.419 -0.778 7.061 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.339 -3.472 8.112 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.274 -2.153 7.570 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.126 -3.771 6.844 1.00 0.00 H new ATOM 140 N ALA A 11 2.239 -0.779 5.740 1.00 0.00 N ATOM 141 CA ALA A 11 1.483 0.409 6.082 1.00 0.00 C ATOM 142 C ALA A 11 1.762 0.870 7.507 1.00 0.00 C ATOM 143 O ALA A 11 1.951 0.056 8.414 1.00 0.00 O ATOM 144 CB ALA A 11 0.006 0.146 5.903 1.00 0.00 C ATOM 0 H ALA A 11 1.726 -1.653 5.857 1.00 0.00 H new ATOM 0 HA ALA A 11 1.798 1.208 5.411 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.557 1.043 6.162 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.193 -0.121 4.865 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.299 -0.674 6.553 1.00 0.00 H new ATOM 150 N LYS A 12 1.771 2.183 7.691 1.00 0.00 N ATOM 151 CA LYS A 12 1.990 2.787 8.998 1.00 0.00 C ATOM 152 C LYS A 12 0.665 2.958 9.738 1.00 0.00 C ATOM 153 O LYS A 12 0.552 2.616 10.915 1.00 0.00 O ATOM 154 CB LYS A 12 2.718 4.130 8.827 1.00 0.00 C ATOM 155 CG LYS A 12 2.357 5.183 9.860 1.00 0.00 C ATOM 156 CD LYS A 12 3.319 6.357 9.821 1.00 0.00 C ATOM 157 CE LYS A 12 4.546 6.089 10.676 1.00 0.00 C ATOM 158 NZ LYS A 12 4.196 5.974 12.116 1.00 0.00 N ATOM 0 H LYS A 12 1.627 2.858 6.940 1.00 0.00 H new ATOM 0 HA LYS A 12 2.616 2.130 9.601 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.793 3.953 8.869 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.498 4.523 7.835 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.342 5.537 9.680 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.367 4.737 10.854 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.624 6.547 8.792 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.815 7.256 10.175 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.028 5.169 10.344 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.268 6.894 10.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.026 6.214 12.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.419 6.628 12.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.898 4.999 12.324 1.00 0.00 H new ATOM 172 N PHE A 13 -0.330 3.487 9.037 1.00 0.00 N ATOM 173 CA PHE A 13 -1.677 3.606 9.575 1.00 0.00 C ATOM 174 C PHE A 13 -2.685 3.234 8.503 1.00 0.00 C ATOM 175 O PHE A 13 -2.380 3.298 7.315 1.00 0.00 O ATOM 176 CB PHE A 13 -1.953 5.027 10.081 1.00 0.00 C ATOM 177 CG PHE A 13 -1.318 5.343 11.404 1.00 0.00 C ATOM 178 CD1 PHE A 13 -1.681 4.649 12.547 1.00 0.00 C ATOM 179 CD2 PHE A 13 -0.363 6.343 11.505 1.00 0.00 C ATOM 180 CE1 PHE A 13 -1.098 4.940 13.764 1.00 0.00 C ATOM 181 CE2 PHE A 13 0.222 6.639 12.720 1.00 0.00 C ATOM 182 CZ PHE A 13 -0.147 5.940 13.853 1.00 0.00 C ATOM 0 H PHE A 13 -0.226 3.843 8.087 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.769 2.925 10.421 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.595 5.741 9.339 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.031 5.168 10.165 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.428 3.872 12.485 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.074 6.896 10.624 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.384 4.387 14.646 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.968 7.417 12.785 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.306 6.174 14.805 1.00 0.00 H new ATOM 192 N ASP A 14 -3.877 2.838 8.923 1.00 0.00 N ATOM 193 CA ASP A 14 -4.907 2.403 8.006 1.00 0.00 C ATOM 194 C ASP A 14 -5.455 3.537 7.159 1.00 0.00 C ATOM 195 O ASP A 14 -5.679 4.652 7.632 1.00 0.00 O ATOM 196 CB ASP A 14 -6.051 1.742 8.764 1.00 0.00 C ATOM 197 CG ASP A 14 -6.316 2.374 10.111 1.00 0.00 C ATOM 198 OD1 ASP A 14 -5.553 2.096 11.056 1.00 0.00 O ATOM 199 OD2 ASP A 14 -7.295 3.133 10.239 1.00 0.00 O ATOM 0 H ASP A 14 -4.152 2.811 9.905 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.439 1.684 7.334 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.957 1.795 8.160 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.823 0.685 8.904 1.00 0.00 H new ATOM 204 N TYR A 15 -5.656 3.222 5.897 1.00 0.00 N ATOM 205 CA TYR A 15 -6.284 4.122 4.949 1.00 0.00 C ATOM 206 C TYR A 15 -7.273 3.344 4.095 1.00 0.00 C ATOM 207 O TYR A 15 -6.880 2.504 3.283 1.00 0.00 O ATOM 208 CB TYR A 15 -5.232 4.806 4.061 1.00 0.00 C ATOM 209 CG TYR A 15 -5.793 5.321 2.747 1.00 0.00 C ATOM 210 CD1 TYR A 15 -6.746 6.335 2.720 1.00 0.00 C ATOM 211 CD2 TYR A 15 -5.386 4.774 1.531 1.00 0.00 C ATOM 212 CE1 TYR A 15 -7.280 6.782 1.526 1.00 0.00 C ATOM 213 CE2 TYR A 15 -5.914 5.224 0.334 1.00 0.00 C ATOM 214 CZ TYR A 15 -6.861 6.227 0.339 1.00 0.00 C ATOM 215 OH TYR A 15 -7.397 6.672 -0.848 1.00 0.00 O ATOM 0 H TYR A 15 -5.386 2.325 5.495 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.813 4.900 5.499 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.790 5.638 4.609 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.429 4.099 3.852 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -7.074 6.780 3.648 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.647 3.987 1.523 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.024 7.565 1.525 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.586 4.792 -0.600 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.995 6.179 -1.594 1.00 0.00 H new ATOM 225 N VAL A 16 -8.553 3.610 4.276 1.00 0.00 N ATOM 226 CA VAL A 16 -9.567 2.934 3.496 1.00 0.00 C ATOM 227 C VAL A 16 -9.943 3.759 2.275 1.00 0.00 C ATOM 228 O VAL A 16 -10.423 4.890 2.393 1.00 0.00 O ATOM 229 CB VAL A 16 -10.836 2.637 4.315 1.00 0.00 C ATOM 230 CG1 VAL A 16 -11.852 1.914 3.453 1.00 0.00 C ATOM 231 CG2 VAL A 16 -10.500 1.814 5.544 1.00 0.00 C ATOM 0 H VAL A 16 -8.911 4.285 4.952 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.135 1.983 3.184 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.266 3.582 4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.747 1.708 4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.115 2.538 2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.426 0.975 3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.411 1.615 6.109 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.050 0.870 5.238 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.798 2.365 6.170 1.00 0.00 H new ATOM 241 N ALA A 17 -9.707 3.191 1.108 1.00 0.00 N ATOM 242 CA ALA A 17 -10.104 3.812 -0.133 1.00 0.00 C ATOM 243 C ALA A 17 -11.545 3.446 -0.422 1.00 0.00 C ATOM 244 O ALA A 17 -11.874 2.267 -0.571 1.00 0.00 O ATOM 245 CB ALA A 17 -9.199 3.370 -1.270 1.00 0.00 C ATOM 0 H ALA A 17 -9.238 2.292 0.997 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.013 4.895 -0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.517 3.850 -2.196 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.170 3.654 -1.048 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.260 2.288 -1.384 1.00 0.00 H new ATOM 251 N GLN A 18 -12.407 4.450 -0.453 1.00 0.00 N ATOM 252 CA GLN A 18 -13.821 4.224 -0.722 1.00 0.00 C ATOM 253 C GLN A 18 -14.005 3.645 -2.116 1.00 0.00 C ATOM 254 O GLN A 18 -14.928 2.876 -2.374 1.00 0.00 O ATOM 255 CB GLN A 18 -14.608 5.527 -0.599 1.00 0.00 C ATOM 256 CG GLN A 18 -14.586 6.128 0.798 1.00 0.00 C ATOM 257 CD GLN A 18 -14.422 7.628 0.769 1.00 0.00 C ATOM 258 OE1 GLN A 18 -15.395 8.384 0.750 1.00 0.00 O ATOM 259 NE2 GLN A 18 -13.178 8.063 0.752 1.00 0.00 N ATOM 0 H GLN A 18 -12.155 5.426 -0.296 1.00 0.00 H new ATOM 0 HA GLN A 18 -14.199 3.515 0.014 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -14.202 6.253 -1.303 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -15.643 5.345 -0.890 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.511 5.875 1.315 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.770 5.686 1.370 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -12.405 7.398 0.769 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.988 9.065 0.722 1.00 0.00 H new ATOM 268 N GLN A 19 -13.105 4.025 -3.005 1.00 0.00 N ATOM 269 CA GLN A 19 -13.133 3.561 -4.379 1.00 0.00 C ATOM 270 C GLN A 19 -12.084 2.465 -4.568 1.00 0.00 C ATOM 271 O GLN A 19 -10.897 2.705 -4.355 1.00 0.00 O ATOM 272 CB GLN A 19 -12.844 4.737 -5.316 1.00 0.00 C ATOM 273 CG GLN A 19 -13.613 6.004 -4.962 1.00 0.00 C ATOM 274 CD GLN A 19 -15.104 5.875 -5.196 1.00 0.00 C ATOM 275 OE1 GLN A 19 -15.851 5.421 -4.326 1.00 0.00 O ATOM 276 NE2 GLN A 19 -15.550 6.312 -6.360 1.00 0.00 N ATOM 0 H GLN A 19 -12.337 4.662 -2.795 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.117 3.153 -4.612 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.776 4.953 -5.295 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.091 4.446 -6.337 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.435 6.250 -3.915 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.228 6.834 -5.555 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.896 6.680 -7.051 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.548 6.282 -6.568 1.00 0.00 H new ATOM 285 N GLU A 20 -12.518 1.269 -4.965 1.00 0.00 N ATOM 286 CA GLU A 20 -11.602 0.138 -5.134 1.00 0.00 C ATOM 287 C GLU A 20 -10.705 0.322 -6.356 1.00 0.00 C ATOM 288 O GLU A 20 -9.798 -0.474 -6.596 1.00 0.00 O ATOM 289 CB GLU A 20 -12.368 -1.179 -5.251 1.00 0.00 C ATOM 290 CG GLU A 20 -13.124 -1.564 -3.991 1.00 0.00 C ATOM 291 CD GLU A 20 -13.558 -3.013 -4.006 1.00 0.00 C ATOM 292 OE1 GLU A 20 -14.546 -3.337 -4.698 1.00 0.00 O ATOM 293 OE2 GLU A 20 -12.906 -3.836 -3.328 1.00 0.00 O ATOM 0 H GLU A 20 -13.493 1.057 -5.175 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.973 0.102 -4.245 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.074 -1.106 -6.078 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.667 -1.975 -5.500 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.492 -1.385 -3.121 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.001 -0.925 -3.886 1.00 0.00 H new ATOM 300 N GLN A 21 -10.984 1.354 -7.143 1.00 0.00 N ATOM 301 CA GLN A 21 -10.096 1.746 -8.228 1.00 0.00 C ATOM 302 C GLN A 21 -8.779 2.259 -7.658 1.00 0.00 C ATOM 303 O GLN A 21 -7.760 2.302 -8.347 1.00 0.00 O ATOM 304 CB GLN A 21 -10.748 2.825 -9.093 1.00 0.00 C ATOM 305 CG GLN A 21 -11.084 4.093 -8.330 1.00 0.00 C ATOM 306 CD GLN A 21 -11.614 5.198 -9.223 1.00 0.00 C ATOM 307 OE1 GLN A 21 -12.305 4.835 -10.295 1.00 0.00 O flip ATOM 308 NE2 GLN A 21 -11.411 6.378 -8.942 1.00 0.00 N flip ATOM 0 H GLN A 21 -11.818 1.934 -7.049 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.902 0.874 -8.852 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.078 3.073 -9.916 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.660 2.423 -9.534 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.826 3.864 -7.565 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.192 4.447 -7.813 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.875 6.619 -8.109 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.779 7.116 -9.542 1.00 0.00 H new ATOM 317 N GLU A 22 -8.826 2.648 -6.394 1.00 0.00 N ATOM 318 CA GLU A 22 -7.649 3.069 -5.659 1.00 0.00 C ATOM 319 C GLU A 22 -7.231 1.960 -4.709 1.00 0.00 C ATOM 320 O GLU A 22 -7.845 0.892 -4.689 1.00 0.00 O ATOM 321 CB GLU A 22 -7.927 4.353 -4.883 1.00 0.00 C ATOM 322 CG GLU A 22 -8.135 5.563 -5.771 1.00 0.00 C ATOM 323 CD GLU A 22 -6.984 5.780 -6.733 1.00 0.00 C ATOM 324 OE1 GLU A 22 -5.824 5.861 -6.277 1.00 0.00 O ATOM 325 OE2 GLU A 22 -7.230 5.864 -7.955 1.00 0.00 O ATOM 0 H GLU A 22 -9.687 2.680 -5.848 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.842 3.270 -6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.813 4.210 -4.264 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.094 4.547 -4.207 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.059 5.441 -6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.257 6.450 -5.149 1.00 0.00 H new ATOM 332 N LEU A 23 -6.203 2.201 -3.915 1.00 0.00 N ATOM 333 CA LEU A 23 -5.684 1.154 -3.067 1.00 0.00 C ATOM 334 C LEU A 23 -6.119 1.374 -1.626 1.00 0.00 C ATOM 335 O LEU A 23 -5.917 2.446 -1.060 1.00 0.00 O ATOM 336 CB LEU A 23 -4.156 1.112 -3.160 1.00 0.00 C ATOM 337 CG LEU A 23 -3.531 -0.269 -2.953 1.00 0.00 C ATOM 338 CD1 LEU A 23 -3.439 -0.612 -1.484 1.00 0.00 C ATOM 339 CD2 LEU A 23 -4.346 -1.317 -3.684 1.00 0.00 C ATOM 0 H LEU A 23 -5.721 3.097 -3.843 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.084 0.198 -3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.857 1.486 -4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.743 1.795 -2.418 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.519 -0.251 -3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.991 -1.599 -1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.822 0.129 -0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.438 -0.613 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.896 -2.298 -3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.365 -1.321 -3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.364 -1.086 -4.749 1.00 0.00 H new ATOM 351 N ASP A 24 -6.708 0.346 -1.040 1.00 0.00 N ATOM 352 CA ASP A 24 -7.089 0.375 0.362 1.00 0.00 C ATOM 353 C ASP A 24 -6.050 -0.356 1.191 1.00 0.00 C ATOM 354 O ASP A 24 -5.649 -1.469 0.856 1.00 0.00 O ATOM 355 CB ASP A 24 -8.487 -0.231 0.583 1.00 0.00 C ATOM 356 CG ASP A 24 -8.753 -1.489 -0.233 1.00 0.00 C ATOM 357 OD1 ASP A 24 -8.124 -2.538 0.025 1.00 0.00 O ATOM 358 OD2 ASP A 24 -9.622 -1.438 -1.132 1.00 0.00 O ATOM 0 H ASP A 24 -6.934 -0.526 -1.518 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.134 1.416 0.681 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.607 -0.464 1.641 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.240 0.517 0.334 1.00 0.00 H new ATOM 363 N ILE A 25 -5.590 0.282 2.254 1.00 0.00 N ATOM 364 CA ILE A 25 -4.558 -0.296 3.097 1.00 0.00 C ATOM 365 C ILE A 25 -4.997 -0.300 4.557 1.00 0.00 C ATOM 366 O ILE A 25 -5.888 0.453 4.955 1.00 0.00 O ATOM 367 CB ILE A 25 -3.212 0.458 2.975 1.00 0.00 C ATOM 368 CG1 ILE A 25 -3.302 1.860 3.574 1.00 0.00 C ATOM 369 CG2 ILE A 25 -2.775 0.550 1.524 1.00 0.00 C ATOM 370 CD1 ILE A 25 -2.153 2.165 4.495 1.00 0.00 C ATOM 0 H ILE A 25 -5.915 1.201 2.554 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.409 -1.319 2.751 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.470 -0.111 3.536 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.324 2.595 2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.239 1.959 4.122 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.827 1.084 1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.653 -0.454 1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.531 1.086 0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.264 3.173 4.894 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.145 1.448 5.316 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.216 2.095 3.943 1.00 0.00 H new ATOM 382 N LYS A 26 -4.370 -1.142 5.351 1.00 0.00 N ATOM 383 CA LYS A 26 -4.698 -1.239 6.759 1.00 0.00 C ATOM 384 C LYS A 26 -3.431 -1.060 7.579 1.00 0.00 C ATOM 385 O LYS A 26 -2.339 -1.337 7.094 1.00 0.00 O ATOM 386 CB LYS A 26 -5.345 -2.597 7.048 1.00 0.00 C ATOM 387 CG LYS A 26 -6.064 -2.679 8.385 1.00 0.00 C ATOM 388 CD LYS A 26 -7.182 -1.650 8.486 1.00 0.00 C ATOM 389 CE LYS A 26 -8.098 -1.921 9.670 1.00 0.00 C ATOM 390 NZ LYS A 26 -7.387 -1.864 10.979 1.00 0.00 N ATOM 0 H LYS A 26 -3.628 -1.771 5.045 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.408 -0.458 7.030 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.055 -2.824 6.253 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.574 -3.367 7.016 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.477 -3.679 8.516 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.350 -2.521 9.193 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.751 -0.654 8.582 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.766 -1.657 7.566 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.908 -1.192 9.670 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.554 -2.904 9.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.063 -2.039 11.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.642 -2.589 11.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.959 -0.924 11.101 1.00 0.00 H new ATOM 404 N LYS A 27 -3.573 -0.572 8.799 1.00 0.00 N ATOM 405 CA LYS A 27 -2.437 -0.400 9.689 1.00 0.00 C ATOM 406 C LYS A 27 -1.703 -1.723 9.870 1.00 0.00 C ATOM 407 O LYS A 27 -2.323 -2.738 10.194 1.00 0.00 O ATOM 408 CB LYS A 27 -2.908 0.123 11.044 1.00 0.00 C ATOM 409 CG LYS A 27 -1.803 0.217 12.084 1.00 0.00 C ATOM 410 CD LYS A 27 -2.363 0.502 13.462 1.00 0.00 C ATOM 411 CE LYS A 27 -1.287 0.415 14.526 1.00 0.00 C ATOM 412 NZ LYS A 27 -1.861 0.519 15.888 1.00 0.00 N ATOM 0 H LYS A 27 -4.467 -0.287 9.198 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.753 0.324 9.246 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.351 1.110 10.908 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.695 -0.530 11.422 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.240 -0.716 12.104 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.104 1.005 11.804 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.811 1.496 13.476 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.158 -0.209 13.687 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.751 -0.529 14.427 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.559 1.212 14.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.098 0.456 16.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.351 1.431 15.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.537 -0.256 16.040 1.00 0.00 H new ATOM 426 N ASN A 28 -0.393 -1.695 9.636 1.00 0.00 N ATOM 427 CA ASN A 28 0.467 -2.872 9.791 1.00 0.00 C ATOM 428 C ASN A 28 0.170 -3.915 8.705 1.00 0.00 C ATOM 429 O ASN A 28 0.454 -5.102 8.868 1.00 0.00 O ATOM 430 CB ASN A 28 0.294 -3.481 11.193 1.00 0.00 C ATOM 431 CG ASN A 28 1.420 -4.423 11.585 1.00 0.00 C ATOM 432 OD1 ASN A 28 2.645 -4.081 11.213 1.00 0.00 O flip ATOM 433 ND2 ASN A 28 1.192 -5.432 12.257 1.00 0.00 N flip ATOM 0 H ASN A 28 0.105 -0.858 9.334 1.00 0.00 H new ATOM 0 HA ASN A 28 1.504 -2.555 9.677 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.232 -2.676 11.925 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.652 -4.021 11.232 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.235 -5.662 12.524 1.00 0.00 H new ATOM 0 HD22 ASN A 28 1.961 -6.037 12.546 1.00 0.00 H new ATOM 440 N GLU A 29 -0.389 -3.462 7.589 1.00 0.00 N ATOM 441 CA GLU A 29 -0.656 -4.343 6.461 1.00 0.00 C ATOM 442 C GLU A 29 0.450 -4.183 5.426 1.00 0.00 C ATOM 443 O GLU A 29 1.008 -3.098 5.277 1.00 0.00 O ATOM 444 CB GLU A 29 -2.017 -4.019 5.844 1.00 0.00 C ATOM 445 CG GLU A 29 -2.476 -5.022 4.802 1.00 0.00 C ATOM 446 CD GLU A 29 -2.633 -6.417 5.368 1.00 0.00 C ATOM 447 OE1 GLU A 29 -3.651 -6.685 6.040 1.00 0.00 O ATOM 448 OE2 GLU A 29 -1.737 -7.256 5.143 1.00 0.00 O ATOM 0 H GLU A 29 -0.665 -2.491 7.442 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.678 -5.377 6.807 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.762 -3.969 6.638 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.971 -3.031 5.387 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.427 -4.695 4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.757 -5.045 3.983 1.00 0.00 H new ATOM 455 N ARG A 30 0.773 -5.255 4.730 1.00 0.00 N ATOM 456 CA ARG A 30 1.847 -5.226 3.747 1.00 0.00 C ATOM 457 C ARG A 30 1.283 -4.962 2.356 1.00 0.00 C ATOM 458 O ARG A 30 0.265 -5.543 1.968 1.00 0.00 O ATOM 459 CB ARG A 30 2.614 -6.552 3.754 1.00 0.00 C ATOM 460 CG ARG A 30 1.837 -7.688 3.115 1.00 0.00 C ATOM 461 CD ARG A 30 2.414 -9.053 3.466 1.00 0.00 C ATOM 462 NE ARG A 30 3.794 -9.208 2.997 1.00 0.00 N ATOM 463 CZ ARG A 30 4.244 -10.264 2.321 1.00 0.00 C ATOM 464 NH1 ARG A 30 3.433 -11.271 2.034 1.00 0.00 N ATOM 465 NH2 ARG A 30 5.514 -10.314 1.940 1.00 0.00 N ATOM 0 H ARG A 30 0.309 -6.159 4.824 1.00 0.00 H new ATOM 0 HA ARG A 30 2.533 -4.421 4.010 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.558 -6.422 3.225 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.858 -6.819 4.782 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.797 -7.641 3.439 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.839 -7.563 2.032 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.382 -9.192 4.547 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.793 -9.833 3.025 1.00 0.00 H new ATOM 0 HE ARG A 30 4.454 -8.457 3.202 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.458 -11.241 2.331 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.784 -12.077 1.516 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.145 -9.544 2.165 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.860 -11.122 1.422 1.00 0.00 H new ATOM 479 N LEU A 31 1.932 -4.086 1.610 1.00 0.00 N ATOM 480 CA LEU A 31 1.496 -3.767 0.261 1.00 0.00 C ATOM 481 C LEU A 31 2.642 -4.014 -0.711 1.00 0.00 C ATOM 482 O LEU A 31 3.781 -4.211 -0.300 1.00 0.00 O ATOM 483 CB LEU A 31 1.030 -2.305 0.139 1.00 0.00 C ATOM 484 CG LEU A 31 -0.135 -1.878 1.046 1.00 0.00 C ATOM 485 CD1 LEU A 31 -1.176 -2.980 1.171 1.00 0.00 C ATOM 486 CD2 LEU A 31 0.366 -1.440 2.415 1.00 0.00 C ATOM 0 H LEU A 31 2.764 -3.582 1.916 1.00 0.00 H new ATOM 0 HA LEU A 31 0.648 -4.409 0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.881 -1.657 0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.740 -2.125 -0.896 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.618 -1.021 0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.985 -2.644 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.575 -3.217 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.714 -3.870 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.480 -1.144 3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.893 -2.267 2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.045 -0.595 2.301 1.00 0.00 H new ATOM 498 N TRP A 32 2.342 -4.008 -1.993 1.00 0.00 N ATOM 499 CA TRP A 32 3.370 -4.117 -3.018 1.00 0.00 C ATOM 500 C TRP A 32 3.582 -2.760 -3.665 1.00 0.00 C ATOM 501 O TRP A 32 2.634 -2.150 -4.148 1.00 0.00 O ATOM 502 CB TRP A 32 2.988 -5.160 -4.073 1.00 0.00 C ATOM 503 CG TRP A 32 3.060 -6.574 -3.577 1.00 0.00 C ATOM 504 CD1 TRP A 32 4.112 -7.429 -3.709 1.00 0.00 C ATOM 505 CD2 TRP A 32 2.044 -7.296 -2.872 1.00 0.00 C ATOM 506 NE1 TRP A 32 3.814 -8.640 -3.135 1.00 0.00 N ATOM 507 CE2 TRP A 32 2.551 -8.582 -2.610 1.00 0.00 C ATOM 508 CE3 TRP A 32 0.759 -6.982 -2.435 1.00 0.00 C ATOM 509 CZ2 TRP A 32 1.816 -9.551 -1.933 1.00 0.00 C ATOM 510 CZ3 TRP A 32 0.029 -7.942 -1.761 1.00 0.00 C ATOM 511 CH2 TRP A 32 0.559 -9.213 -1.516 1.00 0.00 C ATOM 0 H TRP A 32 1.392 -3.929 -2.355 1.00 0.00 H new ATOM 0 HA TRP A 32 4.299 -4.445 -2.551 1.00 0.00 H new ATOM 0 HB2 TRP A 32 1.975 -4.958 -4.421 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.648 -5.052 -4.934 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.046 -7.189 -4.195 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.433 -9.450 -3.105 1.00 0.00 H new ATOM 0 HE3 TRP A 32 0.340 -6.004 -2.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 2.224 -10.533 -1.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.968 -7.707 -1.418 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.037 -9.942 -0.987 1.00 0.00 H new ATOM 522 N LEU A 33 4.814 -2.284 -3.667 1.00 0.00 N ATOM 523 CA LEU A 33 5.097 -0.937 -4.136 1.00 0.00 C ATOM 524 C LEU A 33 5.566 -0.942 -5.586 1.00 0.00 C ATOM 525 O LEU A 33 6.608 -1.500 -5.911 1.00 0.00 O ATOM 526 CB LEU A 33 6.130 -0.276 -3.223 1.00 0.00 C ATOM 527 CG LEU A 33 6.533 1.148 -3.614 1.00 0.00 C ATOM 528 CD1 LEU A 33 5.305 2.030 -3.724 1.00 0.00 C ATOM 529 CD2 LEU A 33 7.499 1.725 -2.593 1.00 0.00 C ATOM 0 H LEU A 33 5.632 -2.806 -3.351 1.00 0.00 H new ATOM 0 HA LEU A 33 4.175 -0.356 -4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.734 -0.258 -2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.025 -0.897 -3.205 1.00 0.00 H new ATOM 0 HG LEU A 33 7.029 1.112 -4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.606 3.040 -4.003 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.635 1.628 -4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.789 2.057 -2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.776 2.738 -2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.022 1.748 -1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.393 1.104 -2.547 1.00 0.00 H new ATOM 541 N LEU A 34 4.776 -0.315 -6.455 1.00 0.00 N ATOM 542 CA LEU A 34 5.088 -0.276 -7.880 1.00 0.00 C ATOM 543 C LEU A 34 5.674 1.072 -8.275 1.00 0.00 C ATOM 544 O LEU A 34 6.525 1.153 -9.161 1.00 0.00 O ATOM 545 CB LEU A 34 3.836 -0.545 -8.737 1.00 0.00 C ATOM 546 CG LEU A 34 3.109 -1.877 -8.495 1.00 0.00 C ATOM 547 CD1 LEU A 34 4.099 -3.018 -8.324 1.00 0.00 C ATOM 548 CD2 LEU A 34 2.177 -1.777 -7.297 1.00 0.00 C ATOM 0 H LEU A 34 3.917 0.172 -6.197 1.00 0.00 H new ATOM 0 HA LEU A 34 5.823 -1.060 -8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.127 0.266 -8.568 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.126 -0.501 -9.787 1.00 0.00 H new ATOM 0 HG LEU A 34 2.503 -2.093 -9.375 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.557 -3.948 -8.154 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.706 -3.111 -9.225 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.745 -2.814 -7.470 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.674 -2.732 -7.146 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.754 -1.526 -6.407 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.434 -1.000 -7.478 1.00 0.00 H new ATOM 560 N ASP A 35 5.216 2.130 -7.618 1.00 0.00 N ATOM 561 CA ASP A 35 5.612 3.480 -7.994 1.00 0.00 C ATOM 562 C ASP A 35 5.700 4.388 -6.777 1.00 0.00 C ATOM 563 O ASP A 35 4.787 4.412 -5.950 1.00 0.00 O ATOM 564 CB ASP A 35 4.601 4.053 -8.993 1.00 0.00 C ATOM 565 CG ASP A 35 4.959 5.448 -9.453 1.00 0.00 C ATOM 566 OD1 ASP A 35 5.878 5.577 -10.292 1.00 0.00 O ATOM 567 OD2 ASP A 35 4.315 6.412 -8.997 1.00 0.00 O ATOM 0 H ASP A 35 4.574 2.080 -6.827 1.00 0.00 H new ATOM 0 HA ASP A 35 6.599 3.430 -8.453 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.540 3.394 -9.859 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.613 4.069 -8.534 1.00 0.00 H new ATOM 572 N ASP A 36 6.793 5.135 -6.675 1.00 0.00 N ATOM 573 CA ASP A 36 6.977 6.084 -5.590 1.00 0.00 C ATOM 574 C ASP A 36 7.835 7.253 -6.071 1.00 0.00 C ATOM 575 O ASP A 36 9.061 7.256 -5.955 1.00 0.00 O ATOM 576 CB ASP A 36 7.575 5.414 -4.328 1.00 0.00 C ATOM 577 CG ASP A 36 9.019 4.948 -4.474 1.00 0.00 C ATOM 578 OD1 ASP A 36 9.277 3.997 -5.242 1.00 0.00 O ATOM 579 OD2 ASP A 36 9.906 5.536 -3.806 1.00 0.00 O ATOM 0 H ASP A 36 7.568 5.099 -7.337 1.00 0.00 H new ATOM 0 HA ASP A 36 5.999 6.466 -5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.518 6.119 -3.498 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.957 4.557 -4.062 1.00 0.00 H new ATOM 584 N SER A 37 7.184 8.234 -6.671 1.00 0.00 N ATOM 585 CA SER A 37 7.885 9.401 -7.182 1.00 0.00 C ATOM 586 C SER A 37 8.239 10.362 -6.048 1.00 0.00 C ATOM 587 O SER A 37 9.392 10.767 -5.909 1.00 0.00 O ATOM 588 CB SER A 37 7.033 10.103 -8.244 1.00 0.00 C ATOM 589 OG SER A 37 5.720 10.370 -7.765 1.00 0.00 O ATOM 0 H SER A 37 6.175 8.247 -6.817 1.00 0.00 H new ATOM 0 HA SER A 37 8.816 9.072 -7.644 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.512 11.037 -8.537 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.976 9.480 -9.137 1.00 0.00 H new ATOM 0 HG SER A 37 5.202 10.820 -8.465 1.00 0.00 H new ATOM 595 N LYS A 38 7.250 10.676 -5.217 1.00 0.00 N ATOM 596 CA LYS A 38 7.433 11.577 -4.080 1.00 0.00 C ATOM 597 C LYS A 38 6.317 11.374 -3.066 1.00 0.00 C ATOM 598 O LYS A 38 6.458 10.618 -2.105 1.00 0.00 O ATOM 599 CB LYS A 38 7.441 13.046 -4.526 1.00 0.00 C ATOM 600 CG LYS A 38 8.759 13.521 -5.111 1.00 0.00 C ATOM 601 CD LYS A 38 8.648 14.935 -5.655 1.00 0.00 C ATOM 602 CE LYS A 38 8.222 15.926 -4.581 1.00 0.00 C ATOM 603 NZ LYS A 38 8.120 17.308 -5.121 1.00 0.00 N ATOM 0 H LYS A 38 6.301 10.315 -5.311 1.00 0.00 H new ATOM 0 HA LYS A 38 8.396 11.343 -3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.656 13.191 -5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.191 13.673 -3.670 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.533 13.484 -4.344 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.069 12.846 -5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.608 15.240 -6.070 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.927 14.954 -6.472 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.260 15.624 -4.168 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.941 15.907 -3.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.828 17.956 -4.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.045 17.605 -5.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.416 17.331 -5.886 1.00 0.00 H new ATOM 617 N SER A 39 5.203 12.043 -3.308 1.00 0.00 N ATOM 618 CA SER A 39 4.045 11.948 -2.443 1.00 0.00 C ATOM 619 C SER A 39 2.955 11.137 -3.136 1.00 0.00 C ATOM 620 O SER A 39 2.780 11.260 -4.350 1.00 0.00 O ATOM 621 CB SER A 39 3.536 13.353 -2.106 1.00 0.00 C ATOM 622 OG SER A 39 4.574 14.159 -1.571 1.00 0.00 O ATOM 0 H SER A 39 5.078 12.664 -4.107 1.00 0.00 H new ATOM 0 HA SER A 39 4.321 11.445 -1.516 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.134 13.822 -3.004 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.718 13.284 -1.388 1.00 0.00 H new ATOM 0 HG SER A 39 4.223 15.051 -1.366 1.00 0.00 H new ATOM 628 N TRP A 40 2.236 10.319 -2.363 1.00 0.00 N ATOM 629 CA TRP A 40 1.209 9.419 -2.901 1.00 0.00 C ATOM 630 C TRP A 40 1.836 8.345 -3.784 1.00 0.00 C ATOM 631 O TRP A 40 2.176 8.580 -4.945 1.00 0.00 O ATOM 632 CB TRP A 40 0.131 10.190 -3.672 1.00 0.00 C ATOM 633 CG TRP A 40 -0.756 11.014 -2.791 1.00 0.00 C ATOM 634 CD1 TRP A 40 -0.491 12.254 -2.293 1.00 0.00 C ATOM 635 CD2 TRP A 40 -2.054 10.655 -2.307 1.00 0.00 C ATOM 636 NE1 TRP A 40 -1.543 12.688 -1.523 1.00 0.00 N ATOM 637 CE2 TRP A 40 -2.517 11.724 -1.516 1.00 0.00 C ATOM 638 CE3 TRP A 40 -2.870 9.533 -2.467 1.00 0.00 C ATOM 639 CZ2 TRP A 40 -3.759 11.701 -0.885 1.00 0.00 C ATOM 640 CZ3 TRP A 40 -4.102 9.509 -1.841 1.00 0.00 C ATOM 641 CH2 TRP A 40 -4.538 10.587 -1.060 1.00 0.00 C ATOM 0 H TRP A 40 2.347 10.261 -1.351 1.00 0.00 H new ATOM 0 HA TRP A 40 0.726 8.931 -2.054 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.612 10.841 -4.401 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.481 9.483 -4.231 1.00 0.00 H new ATOM 0 HD1 TRP A 40 0.414 12.814 -2.477 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -1.591 13.583 -1.036 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.544 8.698 -3.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -4.095 12.530 -0.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -4.739 8.645 -1.956 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.507 10.539 -0.586 1.00 0.00 H new ATOM 652 N TRP A 41 1.995 7.162 -3.218 1.00 0.00 N ATOM 653 CA TRP A 41 2.649 6.068 -3.913 1.00 0.00 C ATOM 654 C TRP A 41 1.611 5.138 -4.520 1.00 0.00 C ATOM 655 O TRP A 41 0.472 5.081 -4.057 1.00 0.00 O ATOM 656 CB TRP A 41 3.553 5.289 -2.956 1.00 0.00 C ATOM 657 CG TRP A 41 4.603 6.133 -2.294 1.00 0.00 C ATOM 658 CD1 TRP A 41 5.030 7.375 -2.679 1.00 0.00 C ATOM 659 CD2 TRP A 41 5.367 5.788 -1.135 1.00 0.00 C ATOM 660 NE1 TRP A 41 6.003 7.824 -1.824 1.00 0.00 N ATOM 661 CE2 TRP A 41 6.232 6.867 -0.871 1.00 0.00 C ATOM 662 CE3 TRP A 41 5.404 4.674 -0.294 1.00 0.00 C ATOM 663 CZ2 TRP A 41 7.120 6.862 0.200 1.00 0.00 C ATOM 664 CZ3 TRP A 41 6.288 4.670 0.766 1.00 0.00 C ATOM 665 CH2 TRP A 41 7.135 5.758 1.005 1.00 0.00 C ATOM 0 H TRP A 41 1.679 6.934 -2.275 1.00 0.00 H new ATOM 0 HA TRP A 41 3.263 6.484 -4.711 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.937 4.823 -2.187 1.00 0.00 H new ATOM 0 HB3 TRP A 41 4.040 4.484 -3.506 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.655 7.922 -3.532 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.479 8.724 -1.887 1.00 0.00 H new ATOM 0 HE3 TRP A 41 4.753 3.831 -0.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.774 7.701 0.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 6.327 3.813 1.422 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.815 5.724 1.843 1.00 0.00 H new ATOM 676 N ARG A 42 2.004 4.415 -5.554 1.00 0.00 N ATOM 677 CA ARG A 42 1.102 3.485 -6.210 1.00 0.00 C ATOM 678 C ARG A 42 1.434 2.064 -5.786 1.00 0.00 C ATOM 679 O ARG A 42 2.507 1.541 -6.105 1.00 0.00 O ATOM 680 CB ARG A 42 1.194 3.629 -7.729 1.00 0.00 C ATOM 681 CG ARG A 42 0.056 2.955 -8.479 1.00 0.00 C ATOM 682 CD ARG A 42 0.119 3.252 -9.970 1.00 0.00 C ATOM 683 NE ARG A 42 -1.190 3.127 -10.612 1.00 0.00 N ATOM 684 CZ ARG A 42 -1.371 2.878 -11.908 1.00 0.00 C ATOM 685 NH1 ARG A 42 -0.332 2.663 -12.701 1.00 0.00 N ATOM 686 NH2 ARG A 42 -2.596 2.841 -12.415 1.00 0.00 N ATOM 0 H ARG A 42 2.940 4.454 -5.957 1.00 0.00 H new ATOM 0 HA ARG A 42 0.079 3.713 -5.911 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.208 4.689 -7.984 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.140 3.207 -8.068 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.101 1.878 -8.319 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.898 3.297 -8.079 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.502 4.261 -10.122 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.822 2.569 -10.446 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.019 3.238 -10.028 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.614 2.688 -12.320 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.478 2.473 -13.692 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.403 3.003 -11.812 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.732 2.650 -13.408 1.00 0.00 H new ATOM 700 N VAL A 43 0.519 1.449 -5.054 1.00 0.00 N ATOM 701 CA VAL A 43 0.759 0.143 -4.466 1.00 0.00 C ATOM 702 C VAL A 43 -0.349 -0.849 -4.794 1.00 0.00 C ATOM 703 O VAL A 43 -1.431 -0.480 -5.252 1.00 0.00 O ATOM 704 CB VAL A 43 0.896 0.234 -2.932 1.00 0.00 C ATOM 705 CG1 VAL A 43 2.214 0.878 -2.536 1.00 0.00 C ATOM 706 CG2 VAL A 43 -0.262 1.014 -2.350 1.00 0.00 C ATOM 0 H VAL A 43 -0.402 1.837 -4.853 1.00 0.00 H new ATOM 0 HA VAL A 43 1.693 -0.214 -4.900 1.00 0.00 H new ATOM 0 HB VAL A 43 0.881 -0.779 -2.530 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.282 0.929 -1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.041 0.283 -2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.266 1.885 -2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.154 1.071 -1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.269 2.021 -2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.198 0.513 -2.595 1.00 0.00 H new ATOM 716 N ARG A 44 -0.045 -2.112 -4.561 1.00 0.00 N ATOM 717 CA ARG A 44 -1.002 -3.192 -4.705 1.00 0.00 C ATOM 718 C ARG A 44 -1.255 -3.809 -3.337 1.00 0.00 C ATOM 719 O ARG A 44 -0.316 -4.135 -2.615 1.00 0.00 O ATOM 720 CB ARG A 44 -0.454 -4.255 -5.661 1.00 0.00 C ATOM 721 CG ARG A 44 -1.460 -5.345 -6.008 1.00 0.00 C ATOM 722 CD ARG A 44 -0.777 -6.608 -6.511 1.00 0.00 C ATOM 723 NE ARG A 44 0.219 -6.326 -7.551 1.00 0.00 N ATOM 724 CZ ARG A 44 1.373 -6.986 -7.681 1.00 0.00 C ATOM 725 NH1 ARG A 44 1.659 -8.000 -6.874 1.00 0.00 N ATOM 726 NH2 ARG A 44 2.234 -6.633 -8.628 1.00 0.00 N ATOM 0 H ARG A 44 0.881 -2.419 -4.264 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.934 -2.803 -5.114 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.126 -3.770 -6.580 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.426 -4.715 -5.212 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.057 -5.581 -5.127 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.147 -4.976 -6.769 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.293 -7.114 -5.676 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.528 -7.292 -6.906 1.00 0.00 H new ATOM 0 HE ARG A 44 0.018 -5.579 -8.216 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.996 -8.279 -6.150 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.542 -8.501 -6.977 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.014 -5.859 -9.255 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.116 -7.136 -8.729 1.00 0.00 H new ATOM 740 N ASN A 45 -2.512 -3.937 -2.967 1.00 0.00 N ATOM 741 CA ASN A 45 -2.866 -4.588 -1.713 1.00 0.00 C ATOM 742 C ASN A 45 -3.081 -6.077 -1.959 1.00 0.00 C ATOM 743 O ASN A 45 -3.159 -6.523 -3.106 1.00 0.00 O ATOM 744 CB ASN A 45 -4.125 -3.941 -1.108 1.00 0.00 C ATOM 745 CG ASN A 45 -4.517 -4.499 0.256 1.00 0.00 C ATOM 746 OD1 ASN A 45 -3.686 -5.033 0.987 1.00 0.00 O ATOM 747 ND2 ASN A 45 -5.782 -4.353 0.621 1.00 0.00 N ATOM 0 H ASN A 45 -3.307 -3.602 -3.511 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.053 -4.464 -0.998 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.960 -2.867 -1.016 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.958 -4.078 -1.798 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.092 -4.689 1.533 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.446 -3.905 -0.010 1.00 0.00 H new ATOM 754 N SER A 46 -3.199 -6.829 -0.882 1.00 0.00 N ATOM 755 CA SER A 46 -3.333 -8.278 -0.942 1.00 0.00 C ATOM 756 C SER A 46 -4.679 -8.695 -1.536 1.00 0.00 C ATOM 757 O SER A 46 -4.914 -9.871 -1.804 1.00 0.00 O ATOM 758 CB SER A 46 -3.140 -8.871 0.457 1.00 0.00 C ATOM 759 OG SER A 46 -3.812 -8.098 1.442 1.00 0.00 O ATOM 0 H SER A 46 -3.205 -6.453 0.066 1.00 0.00 H new ATOM 0 HA SER A 46 -2.560 -8.669 -1.603 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.516 -9.894 0.476 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.076 -8.918 0.691 1.00 0.00 H new ATOM 0 HG SER A 46 -3.673 -8.500 2.325 1.00 0.00 H new ATOM 765 N MET A 47 -5.557 -7.720 -1.748 1.00 0.00 N ATOM 766 CA MET A 47 -6.852 -7.971 -2.371 1.00 0.00 C ATOM 767 C MET A 47 -6.746 -7.779 -3.891 1.00 0.00 C ATOM 768 O MET A 47 -7.752 -7.647 -4.589 1.00 0.00 O ATOM 769 CB MET A 47 -7.913 -7.036 -1.773 1.00 0.00 C ATOM 770 CG MET A 47 -9.351 -7.426 -2.094 1.00 0.00 C ATOM 771 SD MET A 47 -9.822 -9.023 -1.392 1.00 0.00 S ATOM 772 CE MET A 47 -9.650 -8.692 0.358 1.00 0.00 C ATOM 0 H MET A 47 -5.394 -6.745 -1.496 1.00 0.00 H new ATOM 0 HA MET A 47 -7.154 -9.000 -2.174 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.789 -7.012 -0.690 1.00 0.00 H new ATOM 0 HB3 MET A 47 -7.734 -6.024 -2.137 1.00 0.00 H new ATOM 0 HG2 MET A 47 -10.024 -6.656 -1.716 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.480 -7.458 -3.176 1.00 0.00 H new ATOM 0 HE1 MET A 47 -10.210 -9.435 0.926 1.00 0.00 H new ATOM 0 HE2 MET A 47 -8.597 -8.741 0.636 1.00 0.00 H new ATOM 0 HE3 MET A 47 -10.038 -7.698 0.580 1.00 0.00 H new ATOM 782 N ASN A 48 -5.500 -7.733 -4.379 1.00 0.00 N ATOM 783 CA ASN A 48 -5.192 -7.776 -5.816 1.00 0.00 C ATOM 784 C ASN A 48 -5.621 -6.507 -6.548 1.00 0.00 C ATOM 785 O ASN A 48 -5.666 -6.475 -7.777 1.00 0.00 O ATOM 786 CB ASN A 48 -5.831 -9.006 -6.468 1.00 0.00 C ATOM 787 CG ASN A 48 -5.297 -10.306 -5.896 1.00 0.00 C ATOM 788 OD1 ASN A 48 -4.279 -10.826 -6.353 1.00 0.00 O ATOM 789 ND2 ASN A 48 -5.983 -10.843 -4.900 1.00 0.00 N ATOM 0 H ASN A 48 -4.673 -7.665 -3.786 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.108 -7.845 -5.902 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.911 -8.968 -6.329 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.647 -8.982 -7.542 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.673 -11.720 -4.482 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.822 -10.380 -4.550 1.00 0.00 H new ATOM 796 N LYS A 49 -5.917 -5.464 -5.794 1.00 0.00 N ATOM 797 CA LYS A 49 -6.257 -4.173 -6.376 1.00 0.00 C ATOM 798 C LYS A 49 -5.028 -3.276 -6.390 1.00 0.00 C ATOM 799 O LYS A 49 -4.045 -3.562 -5.710 1.00 0.00 O ATOM 800 CB LYS A 49 -7.386 -3.512 -5.584 1.00 0.00 C ATOM 801 CG LYS A 49 -8.736 -4.187 -5.764 1.00 0.00 C ATOM 802 CD LYS A 49 -9.757 -3.660 -4.769 1.00 0.00 C ATOM 803 CE LYS A 49 -9.424 -4.103 -3.357 1.00 0.00 C ATOM 804 NZ LYS A 49 -10.411 -3.602 -2.364 1.00 0.00 N ATOM 0 H LYS A 49 -5.930 -5.483 -4.774 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.598 -4.325 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.126 -3.516 -4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.468 -2.468 -5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.095 -4.020 -6.779 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.626 -5.264 -5.638 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.785 -2.571 -4.815 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.751 -4.016 -5.040 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.392 -5.192 -3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.429 -3.745 -3.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.300 -4.123 -1.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.250 -2.588 -2.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.374 -3.744 -2.730 1.00 0.00 H new ATOM 818 N THR A 50 -5.078 -2.201 -7.165 1.00 0.00 N ATOM 819 CA THR A 50 -3.974 -1.254 -7.227 1.00 0.00 C ATOM 820 C THR A 50 -4.506 0.177 -7.211 1.00 0.00 C ATOM 821 O THR A 50 -5.635 0.430 -7.630 1.00 0.00 O ATOM 822 CB THR A 50 -3.123 -1.461 -8.496 1.00 0.00 C ATOM 823 OG1 THR A 50 -2.928 -2.864 -8.732 1.00 0.00 O ATOM 824 CG2 THR A 50 -1.769 -0.782 -8.361 1.00 0.00 C ATOM 0 H THR A 50 -5.872 -1.963 -7.760 1.00 0.00 H new ATOM 0 HA THR A 50 -3.345 -1.427 -6.354 1.00 0.00 H new ATOM 0 HB THR A 50 -3.656 -1.016 -9.336 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.388 -2.988 -9.540 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.189 -0.943 -9.270 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.912 0.288 -8.207 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.234 -1.203 -7.509 1.00 0.00 H new ATOM 832 N GLY A 51 -3.690 1.102 -6.730 1.00 0.00 N ATOM 833 CA GLY A 51 -4.095 2.494 -6.648 1.00 0.00 C ATOM 834 C GLY A 51 -3.067 3.344 -5.929 1.00 0.00 C ATOM 835 O GLY A 51 -1.975 2.864 -5.616 1.00 0.00 O ATOM 0 H GLY A 51 -2.746 0.914 -6.392 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.250 2.886 -7.653 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.050 2.563 -6.128 1.00 0.00 H new ATOM 839 N PHE A 52 -3.408 4.600 -5.663 1.00 0.00 N ATOM 840 CA PHE A 52 -2.509 5.505 -4.967 1.00 0.00 C ATOM 841 C PHE A 52 -2.893 5.606 -3.504 1.00 0.00 C ATOM 842 O PHE A 52 -4.073 5.647 -3.156 1.00 0.00 O ATOM 843 CB PHE A 52 -2.525 6.901 -5.598 1.00 0.00 C ATOM 844 CG PHE A 52 -1.789 6.992 -6.901 1.00 0.00 C ATOM 845 CD1 PHE A 52 -0.417 7.189 -6.919 1.00 0.00 C ATOM 846 CD2 PHE A 52 -2.465 6.894 -8.105 1.00 0.00 C ATOM 847 CE1 PHE A 52 0.268 7.283 -8.114 1.00 0.00 C ATOM 848 CE2 PHE A 52 -1.788 6.984 -9.305 1.00 0.00 C ATOM 849 CZ PHE A 52 -0.419 7.180 -9.309 1.00 0.00 C ATOM 0 H PHE A 52 -4.304 5.013 -5.921 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.501 5.099 -5.052 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.560 7.205 -5.755 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.088 7.611 -4.896 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.123 7.270 -5.987 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.535 6.745 -8.106 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.337 7.436 -8.115 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.326 6.902 -10.238 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.113 7.253 -10.246 1.00 0.00 H new ATOM 859 N VAL A 53 -1.885 5.635 -2.656 1.00 0.00 N ATOM 860 CA VAL A 53 -2.089 5.739 -1.221 1.00 0.00 C ATOM 861 C VAL A 53 -1.317 6.920 -0.638 1.00 0.00 C ATOM 862 O VAL A 53 -0.254 7.293 -1.140 1.00 0.00 O ATOM 863 CB VAL A 53 -1.668 4.446 -0.492 1.00 0.00 C ATOM 864 CG1 VAL A 53 -2.588 3.298 -0.864 1.00 0.00 C ATOM 865 CG2 VAL A 53 -0.219 4.095 -0.802 1.00 0.00 C ATOM 0 H VAL A 53 -0.906 5.588 -2.937 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.156 5.897 -1.066 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.752 4.620 0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.274 2.396 -0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.611 3.545 -0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.541 3.128 -1.940 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.054 3.180 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.102 3.946 -1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.430 4.908 -0.476 1.00 0.00 H new ATOM 875 N PRO A 54 -1.855 7.529 0.428 1.00 0.00 N ATOM 876 CA PRO A 54 -1.215 8.653 1.113 1.00 0.00 C ATOM 877 C PRO A 54 0.127 8.261 1.721 1.00 0.00 C ATOM 878 O PRO A 54 0.197 7.397 2.597 1.00 0.00 O ATOM 879 CB PRO A 54 -2.215 9.025 2.216 1.00 0.00 C ATOM 880 CG PRO A 54 -3.045 7.803 2.405 1.00 0.00 C ATOM 881 CD PRO A 54 -3.136 7.167 1.050 1.00 0.00 C ATOM 0 HA PRO A 54 -0.996 9.475 0.431 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.703 9.302 3.137 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.827 9.878 1.923 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.588 7.126 3.126 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.034 8.056 2.787 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.260 6.086 1.119 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.983 7.549 0.481 1.00 0.00 H new ATOM 889 N SER A 55 1.185 8.913 1.262 1.00 0.00 N ATOM 890 CA SER A 55 2.536 8.626 1.727 1.00 0.00 C ATOM 891 C SER A 55 2.712 8.983 3.204 1.00 0.00 C ATOM 892 O SER A 55 3.712 8.631 3.821 1.00 0.00 O ATOM 893 CB SER A 55 3.542 9.379 0.857 1.00 0.00 C ATOM 894 OG SER A 55 3.021 10.642 0.469 1.00 0.00 O ATOM 0 H SER A 55 1.133 9.652 0.561 1.00 0.00 H new ATOM 0 HA SER A 55 2.715 7.554 1.637 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.474 9.517 1.406 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.778 8.789 -0.029 1.00 0.00 H new ATOM 0 HG SER A 55 3.681 11.341 0.660 1.00 0.00 H new ATOM 900 N ASN A 56 1.734 9.687 3.757 1.00 0.00 N ATOM 901 CA ASN A 56 1.735 10.036 5.173 1.00 0.00 C ATOM 902 C ASN A 56 1.354 8.832 6.030 1.00 0.00 C ATOM 903 O ASN A 56 1.692 8.765 7.213 1.00 0.00 O ATOM 904 CB ASN A 56 0.743 11.177 5.433 1.00 0.00 C ATOM 905 CG ASN A 56 1.113 12.461 4.715 1.00 0.00 C ATOM 906 OD1 ASN A 56 0.784 12.646 3.543 1.00 0.00 O ATOM 907 ND2 ASN A 56 1.769 13.367 5.421 1.00 0.00 N ATOM 0 H ASN A 56 0.923 10.031 3.243 1.00 0.00 H new ATOM 0 HA ASN A 56 2.742 10.355 5.442 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.252 10.865 5.117 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.691 11.369 6.505 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.021 14.260 4.997 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.022 13.173 6.390 1.00 0.00 H new ATOM 914 N TYR A 57 0.649 7.878 5.428 1.00 0.00 N ATOM 915 CA TYR A 57 0.098 6.759 6.171 1.00 0.00 C ATOM 916 C TYR A 57 0.726 5.436 5.749 1.00 0.00 C ATOM 917 O TYR A 57 0.522 4.411 6.399 1.00 0.00 O ATOM 918 CB TYR A 57 -1.416 6.713 5.971 1.00 0.00 C ATOM 919 CG TYR A 57 -2.135 7.876 6.617 1.00 0.00 C ATOM 920 CD1 TYR A 57 -2.285 9.086 5.950 1.00 0.00 C ATOM 921 CD2 TYR A 57 -2.642 7.771 7.903 1.00 0.00 C ATOM 922 CE1 TYR A 57 -2.917 10.158 6.551 1.00 0.00 C ATOM 923 CE2 TYR A 57 -3.279 8.836 8.506 1.00 0.00 C ATOM 924 CZ TYR A 57 -3.414 10.026 7.827 1.00 0.00 C ATOM 925 OH TYR A 57 -4.035 11.093 8.436 1.00 0.00 O ATOM 0 H TYR A 57 0.448 7.861 4.428 1.00 0.00 H new ATOM 0 HA TYR A 57 0.327 6.905 7.227 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.635 6.706 4.903 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.803 5.781 6.382 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.901 9.190 4.946 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.537 6.841 8.441 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.020 11.094 6.022 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.671 8.736 9.508 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.329 10.832 9.334 1.00 0.00 H new ATOM 935 N VAL A 58 1.490 5.459 4.667 1.00 0.00 N ATOM 936 CA VAL A 58 2.134 4.253 4.172 1.00 0.00 C ATOM 937 C VAL A 58 3.652 4.371 4.268 1.00 0.00 C ATOM 938 O VAL A 58 4.199 5.477 4.271 1.00 0.00 O ATOM 939 CB VAL A 58 1.723 3.941 2.719 1.00 0.00 C ATOM 940 CG1 VAL A 58 0.225 3.744 2.622 1.00 0.00 C ATOM 941 CG2 VAL A 58 2.174 5.035 1.768 1.00 0.00 C ATOM 0 H VAL A 58 1.678 6.297 4.117 1.00 0.00 H new ATOM 0 HA VAL A 58 1.800 3.429 4.802 1.00 0.00 H new ATOM 0 HB VAL A 58 2.220 3.016 2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.047 3.525 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.075 2.913 3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.283 4.652 2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.868 4.783 0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.719 5.981 2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.259 5.127 1.808 1.00 0.00 H new ATOM 951 N GLU A 59 4.321 3.230 4.349 1.00 0.00 N ATOM 952 CA GLU A 59 5.763 3.193 4.550 1.00 0.00 C ATOM 953 C GLU A 59 6.423 2.228 3.576 1.00 0.00 C ATOM 954 O GLU A 59 5.754 1.417 2.935 1.00 0.00 O ATOM 955 CB GLU A 59 6.072 2.754 5.985 1.00 0.00 C ATOM 956 CG GLU A 59 5.591 3.734 7.043 1.00 0.00 C ATOM 957 CD GLU A 59 6.567 4.868 7.273 1.00 0.00 C ATOM 958 OE1 GLU A 59 7.154 5.367 6.292 1.00 0.00 O ATOM 959 OE2 GLU A 59 6.779 5.248 8.442 1.00 0.00 O ATOM 0 H GLU A 59 3.885 2.311 4.278 1.00 0.00 H new ATOM 0 HA GLU A 59 6.159 4.193 4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.610 1.783 6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.149 2.620 6.090 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.627 4.145 6.741 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.431 3.201 7.980 1.00 0.00 H new ATOM 966 N ARG A 60 7.740 2.332 3.460 1.00 0.00 N ATOM 967 CA ARG A 60 8.520 1.371 2.698 1.00 0.00 C ATOM 968 C ARG A 60 8.821 0.157 3.570 1.00 0.00 C ATOM 969 O ARG A 60 7.954 -0.316 4.306 1.00 0.00 O ATOM 970 CB ARG A 60 9.825 2.008 2.210 1.00 0.00 C ATOM 971 CG ARG A 60 9.639 3.033 1.106 1.00 0.00 C ATOM 972 CD ARG A 60 10.969 3.649 0.707 1.00 0.00 C ATOM 973 NE ARG A 60 10.841 4.558 -0.432 1.00 0.00 N ATOM 974 CZ ARG A 60 11.605 5.635 -0.615 1.00 0.00 C ATOM 975 NH1 ARG A 60 12.550 5.945 0.268 1.00 0.00 N ATOM 976 NH2 ARG A 60 11.430 6.392 -1.691 1.00 0.00 N ATOM 0 H ARG A 60 8.291 3.077 3.887 1.00 0.00 H new ATOM 0 HA ARG A 60 7.946 1.056 1.827 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.322 2.486 3.055 1.00 0.00 H new ATOM 0 HB3 ARG A 60 10.489 1.221 1.853 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.178 2.560 0.239 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.958 3.815 1.442 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.385 4.191 1.556 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.674 2.856 0.458 1.00 0.00 H new ATOM 0 HE ARG A 60 10.124 4.355 -1.128 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.693 5.358 1.090 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.132 6.770 0.124 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.713 6.149 -2.374 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.013 7.217 -1.834 1.00 0.00 H new ATOM 990 N LYS A 61 10.040 -0.356 3.478 1.00 0.00 N ATOM 991 CA LYS A 61 10.486 -1.415 4.369 1.00 0.00 C ATOM 992 C LYS A 61 10.758 -0.837 5.753 1.00 0.00 C ATOM 993 O LYS A 61 11.900 -0.551 6.110 1.00 0.00 O ATOM 994 CB LYS A 61 11.743 -2.090 3.815 1.00 0.00 C ATOM 995 CG LYS A 61 11.497 -2.930 2.573 1.00 0.00 C ATOM 996 CD LYS A 61 12.804 -3.414 1.965 1.00 0.00 C ATOM 997 CE LYS A 61 12.576 -4.470 0.894 1.00 0.00 C ATOM 998 NZ LYS A 61 12.112 -5.758 1.477 1.00 0.00 N ATOM 0 H LYS A 61 10.736 -0.056 2.796 1.00 0.00 H new ATOM 0 HA LYS A 61 9.702 -2.169 4.445 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.482 -1.323 3.582 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.174 -2.724 4.590 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.873 -3.787 2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.947 -2.343 1.838 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.338 -2.568 1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.439 -3.825 2.750 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.838 -4.108 0.178 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.502 -4.633 0.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.178 -6.508 0.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.709 -6.005 2.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.124 -5.663 1.788 1.00 0.00 H new ATOM 1012 N ASN A 62 9.691 -0.625 6.508 1.00 0.00 N ATOM 1013 CA ASN A 62 9.787 -0.004 7.820 1.00 0.00 C ATOM 1014 C ASN A 62 10.077 -1.049 8.889 1.00 0.00 C ATOM 1015 O ASN A 62 9.401 -2.079 8.965 1.00 0.00 O ATOM 1016 CB ASN A 62 8.489 0.739 8.151 1.00 0.00 C ATOM 1017 CG ASN A 62 8.590 1.560 9.423 1.00 0.00 C ATOM 1018 OD1 ASN A 62 8.319 1.068 10.519 1.00 0.00 O ATOM 1019 ND2 ASN A 62 8.966 2.821 9.284 1.00 0.00 N ATOM 0 H ASN A 62 8.742 -0.876 6.232 1.00 0.00 H new ATOM 0 HA ASN A 62 10.610 0.711 7.802 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.229 1.395 7.320 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.678 0.017 8.253 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.040 3.424 10.103 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.182 3.190 8.358 1.00 0.00 H new ATOM 1026 N SER A 63 11.090 -0.789 9.697 1.00 0.00 N ATOM 1027 CA SER A 63 11.454 -1.683 10.783 1.00 0.00 C ATOM 1028 C SER A 63 10.977 -1.107 12.111 1.00 0.00 C ATOM 1029 O SER A 63 9.986 -1.623 12.663 1.00 0.00 O ATOM 1030 CB SER A 63 12.967 -1.898 10.800 1.00 0.00 C ATOM 1031 OG SER A 63 13.411 -2.405 9.551 1.00 0.00 O ATOM 0 H SER A 63 11.679 0.040 9.621 1.00 0.00 H new ATOM 0 HA SER A 63 10.971 -2.648 10.630 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.472 -0.957 11.017 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.233 -2.593 11.596 1.00 0.00 H new ATOM 0 HG SER A 63 14.382 -2.536 9.577 1.00 0.00 H new TER 1037 SER A 63