USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 232 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 Single : A 1 SER N :NH3+ -148:sc= 0.00198 (180deg=-0.0772) USER MOD Single : A 1 SER OG : rot -149:sc= -2.11! USER MOD Single : A 2 THR OG1 : rot -10:sc= 0.125 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 177:sc= -0.76 (180deg=-0.784) USER MOD Single : A 14 GLN : amide:sc= -0.724 K(o=-0.72,f=-0.00039) USER MOD Single : A 18 LYS NZ :NH3+ 142:sc= -0.218 (180deg=-0.682) USER MOD Single : A 19 GLN : amide:sc= -1.45 X(o=-1.5,f=-1.5) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.116 K(o=-0.12,f=-4.4!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 27 SER OG : rot 120:sc= -0.464 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 109:sc= 0.712 USER MOD Single : A 44 MET CE :methyl 164:sc= -0.036 (180deg=-0.62) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0152 USER MOD Single : A 61 LYS NZ :NH3+ -145:sc= -0.889 (180deg=-2.48!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.00643 USER MOD Single : A 64 THR OG1 : rot -137:sc= -2.7! USER MOD Single : A 66 GLN : amide:sc= -0.585 K(o=-0.59,f=-4.1!) USER MOD Single : A 71 TYR OH : rot 169:sc= 0.636 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 75 HIS : no HD1:sc= -3.75! C(o=-3.7!,f=-4.3!) USER MOD Single : A 76 GLN : amide:sc= -5.12! C(o=-5.1!,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.645 -7.074 5.086 1.00 0.00 N ATOM 2 CA SER A 1 7.285 -6.679 4.681 1.00 0.00 C ATOM 3 C SER A 1 7.288 -5.234 4.175 1.00 0.00 C ATOM 4 O SER A 1 6.634 -4.953 3.175 1.00 0.00 O ATOM 5 CB SER A 1 6.334 -6.845 5.870 1.00 0.00 C ATOM 6 OG SER A 1 6.739 -6.037 6.973 1.00 0.00 O ATOM 0 H1 SER A 1 8.779 -8.090 4.908 1.00 0.00 H new ATOM 0 H2 SER A 1 9.342 -6.532 4.537 1.00 0.00 H new ATOM 0 H3 SER A 1 8.776 -6.880 6.099 1.00 0.00 H new ATOM 0 HA SER A 1 6.942 -7.319 3.868 1.00 0.00 H new ATOM 0 HB2 SER A 1 5.322 -6.574 5.570 1.00 0.00 H new ATOM 0 HB3 SER A 1 6.307 -7.892 6.173 1.00 0.00 H new ATOM 0 HG SER A 1 6.483 -6.475 7.811 1.00 0.00 H new ATOM 12 N THR A 2 8.054 -4.355 4.841 1.00 0.00 N ATOM 13 CA THR A 2 8.394 -2.980 4.477 1.00 0.00 C ATOM 14 C THR A 2 7.152 -2.074 4.319 1.00 0.00 C ATOM 15 O THR A 2 6.933 -1.500 3.255 1.00 0.00 O ATOM 16 CB THR A 2 9.280 -2.945 3.211 1.00 0.00 C ATOM 17 OG1 THR A 2 8.619 -3.485 2.071 1.00 0.00 O ATOM 18 CG2 THR A 2 10.585 -3.722 3.412 1.00 0.00 C ATOM 0 H THR A 2 8.487 -4.617 5.726 1.00 0.00 H new ATOM 0 HA THR A 2 8.967 -2.570 5.309 1.00 0.00 H new ATOM 0 HB THR A 2 9.495 -1.891 3.037 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.790 -3.925 2.352 1.00 0.00 H new ATOM 0 HG21 THR A 2 11.181 -3.674 2.501 1.00 0.00 H new ATOM 0 HG22 THR A 2 11.147 -3.283 4.236 1.00 0.00 H new ATOM 0 HG23 THR A 2 10.357 -4.763 3.642 1.00 0.00 H new ATOM 23 N ILE A 3 6.451 -1.868 5.452 1.00 0.00 N ATOM 24 CA ILE A 3 5.359 -0.944 5.828 1.00 0.00 C ATOM 25 C ILE A 3 4.971 -1.362 7.272 1.00 0.00 C ATOM 26 O ILE A 3 3.845 -1.800 7.525 1.00 0.00 O ATOM 27 CB ILE A 3 4.078 -0.941 4.931 1.00 0.00 C ATOM 28 CG1 ILE A 3 3.388 -2.312 4.733 1.00 0.00 C ATOM 29 CG2 ILE A 3 4.331 -0.311 3.553 1.00 0.00 C ATOM 30 CD1 ILE A 3 4.163 -3.416 4.020 1.00 0.00 C ATOM 0 H ILE A 3 6.679 -2.446 6.261 1.00 0.00 H new ATOM 0 HA ILE A 3 5.736 0.072 5.711 1.00 0.00 H new ATOM 0 HB ILE A 3 3.388 -0.328 5.510 1.00 0.00 H new ATOM 0 HG12 ILE A 3 3.105 -2.687 5.717 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.465 -2.143 4.179 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.411 -0.333 2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 3 4.656 0.722 3.679 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.105 -0.874 3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.546 -4.313 3.959 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.424 -3.086 3.014 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.074 -3.639 4.576 1.00 0.00 H new ATOM 34 N GLU A 4 5.931 -1.338 8.220 1.00 0.00 N ATOM 35 CA GLU A 4 5.989 -2.417 9.196 1.00 0.00 C ATOM 36 C GLU A 4 5.363 -2.014 10.533 1.00 0.00 C ATOM 37 O GLU A 4 5.967 -2.161 11.596 1.00 0.00 O ATOM 38 CB GLU A 4 7.450 -2.848 9.381 1.00 0.00 C ATOM 39 CG GLU A 4 8.063 -3.339 8.069 1.00 0.00 C ATOM 40 CD GLU A 4 9.489 -3.854 8.170 1.00 0.00 C ATOM 41 OE1 GLU A 4 10.321 -3.134 8.767 1.00 0.00 O ATOM 42 OE2 GLU A 4 9.723 -4.956 7.627 1.00 0.00 O ATOM 0 H GLU A 4 6.642 -0.613 8.321 1.00 0.00 H new ATOM 0 HA GLU A 4 5.405 -3.257 8.820 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.032 -2.009 9.763 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.504 -3.640 10.128 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.435 -4.135 7.669 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.040 -2.522 7.348 1.00 0.00 H new ATOM 45 N GLU A 5 4.102 -1.583 10.472 1.00 0.00 N ATOM 46 CA GLU A 5 3.241 -1.472 11.634 1.00 0.00 C ATOM 47 C GLU A 5 1.839 -1.885 11.216 1.00 0.00 C ATOM 48 O GLU A 5 1.383 -2.933 11.654 1.00 0.00 O ATOM 49 CB GLU A 5 3.266 -0.042 12.176 1.00 0.00 C ATOM 50 CG GLU A 5 2.371 0.155 13.400 1.00 0.00 C ATOM 51 CD GLU A 5 2.392 1.585 13.911 1.00 0.00 C ATOM 52 OE1 GLU A 5 1.766 2.435 13.242 1.00 0.00 O ATOM 53 OE2 GLU A 5 3.042 1.801 14.957 1.00 0.00 O ATOM 0 H GLU A 5 3.652 -1.300 9.602 1.00 0.00 H new ATOM 0 HA GLU A 5 3.588 -2.124 12.436 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.291 0.223 12.437 1.00 0.00 H new ATOM 0 HB3 GLU A 5 2.950 0.643 11.389 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.348 -0.122 13.146 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.695 -0.516 14.195 1.00 0.00 H new ATOM 56 N ARG A 6 1.170 -1.092 10.367 1.00 0.00 N ATOM 57 CA ARG A 6 -0.015 -1.509 9.610 1.00 0.00 C ATOM 58 C ARG A 6 0.131 -2.854 8.880 1.00 0.00 C ATOM 59 O ARG A 6 -0.871 -3.548 8.663 1.00 0.00 O ATOM 60 CB ARG A 6 -0.523 -0.370 8.723 1.00 0.00 C ATOM 61 CG ARG A 6 -0.917 0.828 9.591 1.00 0.00 C ATOM 62 CD ARG A 6 -2.024 0.437 10.570 1.00 0.00 C ATOM 63 NE ARG A 6 -1.817 1.040 11.890 1.00 0.00 N ATOM 64 CZ ARG A 6 -1.260 0.401 12.938 1.00 0.00 C ATOM 65 NH1 ARG A 6 -0.895 -0.889 12.862 1.00 0.00 N ATOM 66 NH2 ARG A 6 -1.065 1.061 14.088 1.00 0.00 N ATOM 0 H ARG A 6 1.443 -0.126 10.185 1.00 0.00 H new ATOM 0 HA ARG A 6 -0.793 -1.718 10.344 1.00 0.00 H new ATOM 0 HB2 ARG A 6 0.250 -0.077 8.013 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -1.381 -0.706 8.140 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.047 1.188 10.141 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.256 1.648 8.958 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.989 0.752 10.173 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.058 -0.648 10.667 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.114 2.007 12.024 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.037 -1.409 11.996 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.475 -1.349 13.670 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.338 2.041 14.166 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.644 0.584 14.885 1.00 0.00 H new ATOM 74 N VAL A 7 1.372 -3.268 8.579 1.00 0.00 N ATOM 75 CA VAL A 7 1.585 -4.563 7.961 1.00 0.00 C ATOM 76 C VAL A 7 1.280 -5.720 8.932 1.00 0.00 C ATOM 77 O VAL A 7 1.008 -6.801 8.419 1.00 0.00 O ATOM 78 CB VAL A 7 3.028 -4.656 7.445 1.00 0.00 C ATOM 79 CG1 VAL A 7 4.070 -4.836 8.552 1.00 0.00 C ATOM 80 CG2 VAL A 7 3.172 -5.809 6.456 1.00 0.00 C ATOM 0 H VAL A 7 2.220 -2.729 8.754 1.00 0.00 H new ATOM 0 HA VAL A 7 0.893 -4.658 7.124 1.00 0.00 H new ATOM 0 HB VAL A 7 3.222 -3.699 6.961 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.065 -4.894 8.110 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.025 -3.988 9.235 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.863 -5.755 9.100 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.202 -5.858 6.102 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.913 -6.746 6.949 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.505 -5.648 5.609 1.00 0.00 H new ATOM 84 N LYS A 8 1.206 -5.524 10.273 1.00 0.00 N ATOM 85 CA LYS A 8 -0.046 -5.238 11.017 1.00 0.00 C ATOM 86 C LYS A 8 -1.345 -5.848 10.495 1.00 0.00 C ATOM 87 O LYS A 8 -2.419 -5.280 10.694 1.00 0.00 O ATOM 88 CB LYS A 8 0.080 -5.668 12.490 1.00 0.00 C ATOM 89 CG LYS A 8 0.151 -7.177 12.734 1.00 0.00 C ATOM 90 CD LYS A 8 0.074 -7.508 14.220 1.00 0.00 C ATOM 91 CE LYS A 8 0.056 -9.010 14.496 1.00 0.00 C ATOM 92 NZ LYS A 8 -0.093 -9.289 15.933 1.00 0.00 N ATOM 0 H LYS A 8 2.028 -5.561 10.876 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.138 -4.161 10.877 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.975 -5.208 12.909 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.772 -5.269 13.041 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.666 -7.670 12.208 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.080 -7.570 12.320 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.926 -7.060 14.731 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.824 -7.056 14.641 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.764 -9.473 13.947 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.979 -9.460 14.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.102 -10.317 16.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.703 -8.867 16.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.986 -8.880 16.275 1.00 0.00 H new ATOM 98 N LYS A 9 -1.193 -6.949 9.773 1.00 0.00 N ATOM 99 CA LYS A 9 -1.903 -7.444 8.624 1.00 0.00 C ATOM 100 C LYS A 9 -3.028 -6.581 8.045 1.00 0.00 C ATOM 101 O LYS A 9 -4.006 -7.157 7.553 1.00 0.00 O ATOM 102 CB LYS A 9 -2.401 -8.814 9.059 1.00 0.00 C ATOM 103 CG LYS A 9 -3.409 -8.808 10.212 1.00 0.00 C ATOM 104 CD LYS A 9 -3.870 -10.214 10.596 1.00 0.00 C ATOM 105 CE LYS A 9 -2.733 -11.141 11.039 1.00 0.00 C ATOM 106 NZ LYS A 9 -2.032 -10.636 12.231 1.00 0.00 N ATOM 0 H LYS A 9 -0.455 -7.605 10.028 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.220 -7.452 7.775 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.859 -9.305 8.200 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.542 -9.418 9.352 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.959 -8.327 11.081 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.275 -8.210 9.929 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.599 -10.139 11.402 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.381 -10.663 9.745 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.136 -12.131 11.250 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.020 -11.254 10.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.306 -11.321 12.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.581 -9.726 12.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.714 -10.504 13.005 1.00 0.00 H new ATOM 112 N ILE A 10 -2.891 -5.238 8.010 1.00 0.00 N ATOM 113 CA ILE A 10 -4.053 -4.506 7.533 1.00 0.00 C ATOM 114 C ILE A 10 -4.110 -4.487 5.998 1.00 0.00 C ATOM 115 O ILE A 10 -5.069 -5.067 5.507 1.00 0.00 O ATOM 116 CB ILE A 10 -4.234 -3.123 8.212 1.00 0.00 C ATOM 117 CG1 ILE A 10 -5.651 -2.603 7.949 1.00 0.00 C ATOM 118 CG2 ILE A 10 -3.295 -1.970 7.855 1.00 0.00 C ATOM 119 CD1 ILE A 10 -6.757 -3.530 8.460 1.00 0.00 C ATOM 0 H ILE A 10 -2.071 -4.694 8.279 1.00 0.00 H new ATOM 0 HA ILE A 10 -4.938 -5.055 7.853 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.996 -3.371 9.246 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.762 -1.627 8.420 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.780 -2.456 6.877 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.573 -1.084 8.427 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.269 -2.249 8.094 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.373 -1.753 6.790 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.730 -3.093 8.236 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.674 -4.500 7.970 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.656 -3.658 9.538 1.00 0.00 H new ATOM 123 N ILE A 11 -3.154 -3.926 5.232 1.00 0.00 N ATOM 124 CA ILE A 11 -2.697 -4.403 3.919 1.00 0.00 C ATOM 125 C ILE A 11 -1.762 -5.597 4.138 1.00 0.00 C ATOM 126 O ILE A 11 -0.634 -5.591 3.651 1.00 0.00 O ATOM 127 CB ILE A 11 -3.848 -4.835 2.980 1.00 0.00 C ATOM 128 CG1 ILE A 11 -4.951 -3.786 2.861 1.00 0.00 C ATOM 129 CG2 ILE A 11 -3.283 -5.125 1.590 1.00 0.00 C ATOM 130 CD1 ILE A 11 -6.203 -4.271 2.123 1.00 0.00 C ATOM 0 H ILE A 11 -2.657 -3.087 5.530 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.192 -3.569 3.431 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.297 -5.727 3.417 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.236 -3.460 3.861 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.553 -2.914 2.343 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.091 -5.430 0.925 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.808 -4.227 1.196 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.546 -5.926 1.656 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.936 -3.466 2.083 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.935 -4.569 1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.629 -5.124 2.651 1.00 0.00 H new ATOM 134 N GLY A 12 -2.229 -6.574 4.914 1.00 0.00 N ATOM 135 CA GLY A 12 -1.403 -7.582 5.554 1.00 0.00 C ATOM 136 C GLY A 12 -2.014 -8.983 5.522 1.00 0.00 C ATOM 137 O GLY A 12 -1.353 -9.865 4.977 1.00 0.00 O ATOM 0 H GLY A 12 -3.222 -6.684 5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.430 -7.608 5.064 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.230 -7.294 6.591 1.00 0.00 H new ATOM 141 N GLU A 13 -3.204 -9.250 6.108 1.00 0.00 N ATOM 142 CA GLU A 13 -3.642 -10.643 6.085 1.00 0.00 C ATOM 143 C GLU A 13 -4.220 -10.868 4.689 1.00 0.00 C ATOM 144 O GLU A 13 -3.673 -11.699 3.968 1.00 0.00 O ATOM 145 CB GLU A 13 -4.633 -11.009 7.215 1.00 0.00 C ATOM 146 CG GLU A 13 -5.015 -12.488 7.234 1.00 0.00 C ATOM 147 CD GLU A 13 -3.816 -13.400 7.458 1.00 0.00 C ATOM 148 OE1 GLU A 13 -3.435 -13.559 8.638 1.00 0.00 O ATOM 149 OE2 GLU A 13 -3.301 -13.918 6.443 1.00 0.00 O ATOM 0 H GLU A 13 -3.823 -8.579 6.562 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.802 -11.309 6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.191 -10.744 8.175 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.537 -10.410 7.103 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.749 -12.660 8.021 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.493 -12.748 6.290 1.00 0.00 H new ATOM 152 N GLN A 14 -5.275 -10.125 4.313 1.00 0.00 N ATOM 153 CA GLN A 14 -5.409 -9.192 3.190 1.00 0.00 C ATOM 154 C GLN A 14 -4.485 -9.409 1.957 1.00 0.00 C ATOM 155 O GLN A 14 -4.054 -10.528 1.697 1.00 0.00 O ATOM 156 CB GLN A 14 -5.244 -7.798 3.797 1.00 0.00 C ATOM 157 CG GLN A 14 -6.549 -7.255 4.402 1.00 0.00 C ATOM 158 CD GLN A 14 -7.122 -8.045 5.573 1.00 0.00 C ATOM 159 OE1 GLN A 14 -6.543 -8.064 6.656 1.00 0.00 O ATOM 160 NE2 GLN A 14 -8.257 -8.709 5.348 1.00 0.00 N ATOM 0 H GLN A 14 -6.143 -10.171 4.846 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.385 -9.359 2.734 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.476 -7.832 4.570 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.892 -7.111 3.028 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.375 -6.231 4.731 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.302 -7.213 3.615 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.702 -8.663 4.431 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.680 -9.263 6.093 1.00 0.00 H new ATOM 165 N LEU A 15 -4.207 -8.353 1.160 1.00 0.00 N ATOM 166 CA LEU A 15 -3.191 -8.240 0.113 1.00 0.00 C ATOM 167 C LEU A 15 -3.167 -9.379 -0.912 1.00 0.00 C ATOM 168 O LEU A 15 -2.119 -9.651 -1.500 1.00 0.00 O ATOM 169 CB LEU A 15 -1.799 -8.047 0.759 1.00 0.00 C ATOM 170 CG LEU A 15 -1.268 -9.075 1.776 1.00 0.00 C ATOM 171 CD1 LEU A 15 -0.969 -10.453 1.185 1.00 0.00 C ATOM 172 CD2 LEU A 15 0.023 -8.539 2.386 1.00 0.00 C ATOM 0 H LEU A 15 -4.740 -7.488 1.248 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.470 -7.364 -0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.072 -7.988 -0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.804 -7.076 1.254 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.061 -9.209 2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.600 -11.113 1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.880 -10.871 0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.213 -10.358 0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.410 -9.258 3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.760 -8.383 1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.177 -7.592 2.888 1.00 0.00 H new ATOM 176 N GLY A 16 -4.318 -10.011 -1.172 1.00 0.00 N ATOM 177 CA GLY A 16 -4.399 -11.104 -2.128 1.00 0.00 C ATOM 178 C GLY A 16 -3.679 -12.349 -1.627 1.00 0.00 C ATOM 179 O GLY A 16 -3.071 -12.365 -0.558 1.00 0.00 O ATOM 0 H GLY A 16 -5.206 -9.777 -0.727 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.445 -11.342 -2.320 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.964 -10.790 -3.077 1.00 0.00 H new ATOM 183 N VAL A 17 -3.691 -13.375 -2.473 1.00 0.00 N ATOM 184 CA VAL A 17 -2.973 -14.613 -2.212 1.00 0.00 C ATOM 185 C VAL A 17 -1.717 -14.573 -3.099 1.00 0.00 C ATOM 186 O VAL A 17 -1.407 -15.498 -3.849 1.00 0.00 O ATOM 187 CB VAL A 17 -3.902 -15.790 -2.546 1.00 0.00 C ATOM 188 CG1 VAL A 17 -3.266 -17.149 -2.237 1.00 0.00 C ATOM 189 CG2 VAL A 17 -5.222 -15.713 -1.773 1.00 0.00 C ATOM 0 H VAL A 17 -4.199 -13.369 -3.357 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.672 -14.732 -1.171 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.085 -15.708 -3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.966 -17.945 -2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.355 -17.266 -2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.024 -17.205 -1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.849 -16.564 -2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.018 -15.732 -0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.739 -14.788 -2.027 1.00 0.00 H new ATOM 193 N LYS A 18 -1.012 -13.438 -3.014 1.00 0.00 N ATOM 194 CA LYS A 18 0.191 -13.104 -3.742 1.00 0.00 C ATOM 195 C LYS A 18 1.331 -14.061 -3.448 1.00 0.00 C ATOM 196 O LYS A 18 2.035 -13.932 -2.447 1.00 0.00 O ATOM 197 CB LYS A 18 0.584 -11.674 -3.364 1.00 0.00 C ATOM 198 CG LYS A 18 -0.078 -10.548 -4.177 1.00 0.00 C ATOM 199 CD LYS A 18 -1.597 -10.603 -4.354 1.00 0.00 C ATOM 200 CE LYS A 18 -2.054 -11.632 -5.387 1.00 0.00 C ATOM 201 NZ LYS A 18 -3.519 -11.643 -5.518 1.00 0.00 N ATOM 0 H LYS A 18 -1.298 -12.685 -2.388 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.008 -13.186 -4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.347 -11.521 -2.311 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.665 -11.578 -3.464 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.171 -9.599 -3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.376 -10.537 -5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.058 -10.834 -3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.956 -9.618 -4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.602 -11.406 -6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.705 -12.623 -5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.777 -11.783 -6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.913 -12.418 -4.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.904 -10.736 -5.184 1.00 0.00 H new ATOM 207 N GLN A 19 1.614 -14.873 -4.472 1.00 0.00 N ATOM 208 CA GLN A 19 2.642 -14.433 -5.403 1.00 0.00 C ATOM 209 C GLN A 19 4.085 -14.465 -4.924 1.00 0.00 C ATOM 210 O GLN A 19 4.936 -13.916 -5.620 1.00 0.00 O ATOM 211 CB GLN A 19 2.516 -15.263 -6.692 1.00 0.00 C ATOM 212 CG GLN A 19 2.691 -16.781 -6.536 1.00 0.00 C ATOM 213 CD GLN A 19 4.090 -17.233 -6.121 1.00 0.00 C ATOM 214 OE1 GLN A 19 5.061 -16.996 -6.835 1.00 0.00 O ATOM 215 NE2 GLN A 19 4.190 -17.883 -4.958 1.00 0.00 N ATOM 0 H GLN A 19 1.178 -15.775 -4.666 1.00 0.00 H new ATOM 0 HA GLN A 19 2.445 -13.371 -5.547 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.535 -15.073 -7.128 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.257 -14.903 -7.406 1.00 0.00 H new ATOM 0 HG2 GLN A 19 1.976 -17.139 -5.796 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.437 -17.259 -7.482 1.00 0.00 H new ATOM 0 HE21 GLN A 19 3.356 -18.057 -4.398 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.101 -18.205 -4.630 1.00 0.00 H new ATOM 220 N GLU A 20 4.321 -14.961 -3.704 1.00 0.00 N ATOM 221 CA GLU A 20 5.377 -14.472 -2.827 1.00 0.00 C ATOM 222 C GLU A 20 5.537 -12.950 -3.002 1.00 0.00 C ATOM 223 O GLU A 20 6.635 -12.443 -3.233 1.00 0.00 O ATOM 224 CB GLU A 20 6.688 -15.247 -3.066 1.00 0.00 C ATOM 225 CG GLU A 20 7.293 -15.175 -4.469 1.00 0.00 C ATOM 226 CD GLU A 20 8.554 -16.013 -4.607 1.00 0.00 C ATOM 227 OE1 GLU A 20 9.638 -15.460 -4.319 1.00 0.00 O ATOM 228 OE2 GLU A 20 8.411 -17.191 -5.000 1.00 0.00 O ATOM 0 H GLU A 20 3.775 -15.721 -3.299 1.00 0.00 H new ATOM 0 HA GLU A 20 5.103 -14.651 -1.787 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.431 -14.881 -2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.510 -16.296 -2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.555 -15.514 -5.196 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.523 -14.137 -4.708 1.00 0.00 H new ATOM 231 N GLU A 21 4.410 -12.238 -2.820 1.00 0.00 N ATOM 232 CA GLU A 21 4.232 -10.801 -2.976 1.00 0.00 C ATOM 233 C GLU A 21 4.387 -10.404 -4.465 1.00 0.00 C ATOM 234 O GLU A 21 5.506 -10.146 -4.911 1.00 0.00 O ATOM 235 CB GLU A 21 5.263 -10.068 -2.107 1.00 0.00 C ATOM 236 CG GLU A 21 5.044 -8.557 -2.060 1.00 0.00 C ATOM 237 CD GLU A 21 6.043 -7.846 -1.158 1.00 0.00 C ATOM 238 OE1 GLU A 21 7.233 -7.810 -1.541 1.00 0.00 O ATOM 239 OE2 GLU A 21 5.597 -7.341 -0.104 1.00 0.00 O ATOM 0 H GLU A 21 3.542 -12.695 -2.540 1.00 0.00 H new ATOM 0 HA GLU A 21 3.230 -10.518 -2.653 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.223 -10.466 -1.093 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.263 -10.272 -2.490 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.119 -8.152 -3.069 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.033 -8.351 -1.708 1.00 0.00 H new ATOM 242 N VAL A 22 3.284 -10.301 -5.237 1.00 0.00 N ATOM 243 CA VAL A 22 3.299 -9.855 -6.627 1.00 0.00 C ATOM 244 C VAL A 22 3.524 -8.337 -6.641 1.00 0.00 C ATOM 245 O VAL A 22 3.425 -7.668 -5.610 1.00 0.00 O ATOM 246 CB VAL A 22 1.945 -10.244 -7.281 1.00 0.00 C ATOM 247 CG1 VAL A 22 1.845 -9.865 -8.760 1.00 0.00 C ATOM 248 CG2 VAL A 22 1.693 -11.751 -7.189 1.00 0.00 C ATOM 0 H VAL A 22 2.350 -10.531 -4.898 1.00 0.00 H new ATOM 0 HA VAL A 22 4.100 -10.327 -7.196 1.00 0.00 H new ATOM 0 HB VAL A 22 1.201 -9.680 -6.718 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.872 -10.168 -9.148 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.959 -8.786 -8.868 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.632 -10.371 -9.319 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.737 -11.989 -7.656 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.492 -12.286 -7.703 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.670 -12.053 -6.142 1.00 0.00 H new ATOM 252 N THR A 23 3.887 -7.808 -7.813 1.00 0.00 N ATOM 253 CA THR A 23 4.674 -6.578 -7.874 1.00 0.00 C ATOM 254 C THR A 23 3.748 -5.377 -8.163 1.00 0.00 C ATOM 255 O THR A 23 2.537 -5.476 -7.964 1.00 0.00 O ATOM 256 CB THR A 23 5.802 -6.711 -8.938 1.00 0.00 C ATOM 257 OG1 THR A 23 6.282 -8.055 -8.982 1.00 0.00 O ATOM 258 CG2 THR A 23 6.998 -5.817 -8.621 1.00 0.00 C ATOM 0 H THR A 23 3.651 -8.208 -8.721 1.00 0.00 H new ATOM 0 HA THR A 23 5.154 -6.405 -6.911 1.00 0.00 H new ATOM 0 HB THR A 23 5.365 -6.412 -9.891 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.990 -8.128 -9.656 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.760 -5.943 -9.390 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.677 -4.776 -8.595 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.412 -6.093 -7.651 1.00 0.00 H new ATOM 263 N ASN A 24 4.302 -4.226 -8.570 1.00 0.00 N ATOM 264 CA ASN A 24 3.557 -2.965 -8.659 1.00 0.00 C ATOM 265 C ASN A 24 3.006 -2.797 -10.088 1.00 0.00 C ATOM 266 O ASN A 24 2.921 -1.679 -10.597 1.00 0.00 O ATOM 267 CB ASN A 24 4.462 -1.774 -8.270 1.00 0.00 C ATOM 268 CG ASN A 24 5.703 -1.605 -9.138 1.00 0.00 C ATOM 269 OD1 ASN A 24 6.604 -2.440 -9.110 1.00 0.00 O ATOM 270 ND2 ASN A 24 5.749 -0.512 -9.902 1.00 0.00 N ATOM 0 H ASN A 24 5.280 -4.145 -8.847 1.00 0.00 H new ATOM 0 HA ASN A 24 2.721 -2.988 -7.960 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.874 -0.858 -8.319 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.775 -1.897 -7.233 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.559 -0.340 -10.498 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.975 0.152 -9.890 1.00 0.00 H new ATOM 275 N ASN A 25 2.579 -3.899 -10.728 1.00 0.00 N ATOM 276 CA ASN A 25 1.749 -3.864 -11.917 1.00 0.00 C ATOM 277 C ASN A 25 0.484 -4.679 -11.618 1.00 0.00 C ATOM 278 O ASN A 25 -0.024 -5.401 -12.477 1.00 0.00 O ATOM 279 CB ASN A 25 2.541 -4.444 -13.102 1.00 0.00 C ATOM 280 CG ASN A 25 3.076 -5.856 -12.869 1.00 0.00 C ATOM 281 OD1 ASN A 25 4.070 -6.038 -12.169 1.00 0.00 O ATOM 282 ND2 ASN A 25 2.418 -6.859 -13.455 1.00 0.00 N ATOM 0 H ASN A 25 2.810 -4.844 -10.421 1.00 0.00 H new ATOM 0 HA ASN A 25 1.463 -2.847 -12.184 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.900 -4.452 -13.984 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.379 -3.782 -13.323 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.736 -7.820 -13.329 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.597 -6.664 -14.028 1.00 0.00 H new ATOM 287 N ALA A 26 -0.020 -4.561 -10.380 1.00 0.00 N ATOM 288 CA ALA A 26 -1.164 -5.325 -9.916 1.00 0.00 C ATOM 289 C ALA A 26 -1.939 -4.605 -8.814 1.00 0.00 C ATOM 290 O ALA A 26 -1.434 -3.702 -8.146 1.00 0.00 O ATOM 291 CB ALA A 26 -0.665 -6.678 -9.397 1.00 0.00 C ATOM 0 H ALA A 26 0.363 -3.928 -9.678 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.850 -5.455 -10.753 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.511 -7.267 -9.044 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.162 -7.213 -10.202 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.033 -6.518 -8.576 1.00 0.00 H new ATOM 294 N SER A 27 -3.176 -5.076 -8.628 1.00 0.00 N ATOM 295 CA SER A 27 -4.107 -4.698 -7.572 1.00 0.00 C ATOM 296 C SER A 27 -4.618 -3.256 -7.724 1.00 0.00 C ATOM 297 O SER A 27 -4.639 -2.724 -8.832 1.00 0.00 O ATOM 298 CB SER A 27 -5.270 -5.704 -7.631 1.00 0.00 C ATOM 299 OG SER A 27 -6.209 -5.444 -6.588 1.00 0.00 O ATOM 0 H SER A 27 -3.575 -5.776 -9.254 1.00 0.00 H new ATOM 0 HA SER A 27 -3.603 -4.726 -6.606 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.766 -5.639 -8.599 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.885 -6.720 -7.537 1.00 0.00 H new ATOM 0 HG SER A 27 -7.085 -5.243 -6.979 1.00 0.00 H new ATOM 303 N PHE A 28 -5.064 -2.663 -6.600 1.00 0.00 N ATOM 304 CA PHE A 28 -5.867 -1.445 -6.470 1.00 0.00 C ATOM 305 C PHE A 28 -6.951 -1.416 -7.575 1.00 0.00 C ATOM 306 O PHE A 28 -7.994 -2.032 -7.366 1.00 0.00 O ATOM 307 CB PHE A 28 -4.959 -0.193 -6.454 1.00 0.00 C ATOM 308 CG PHE A 28 -3.923 -0.087 -5.343 1.00 0.00 C ATOM 309 CD1 PHE A 28 -3.496 -1.232 -4.650 1.00 0.00 C ATOM 310 CD2 PHE A 28 -3.302 1.147 -5.077 1.00 0.00 C ATOM 311 CE1 PHE A 28 -2.429 -1.158 -3.744 1.00 0.00 C ATOM 312 CE2 PHE A 28 -2.226 1.219 -4.168 1.00 0.00 C ATOM 313 CZ PHE A 28 -1.772 0.058 -3.517 1.00 0.00 C ATOM 0 H PHE A 28 -4.850 -3.062 -5.686 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.392 -1.441 -5.515 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.434 -0.147 -7.408 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.601 0.687 -6.400 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.993 -2.176 -4.817 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.650 2.042 -5.571 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.111 -2.045 -3.217 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.750 2.168 -3.971 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.925 0.104 -2.849 1.00 0.00 H new ATOM 317 N VAL A 29 -6.739 -0.794 -8.748 1.00 0.00 N ATOM 318 CA VAL A 29 -7.682 -0.746 -9.847 1.00 0.00 C ATOM 319 C VAL A 29 -7.523 -1.956 -10.777 1.00 0.00 C ATOM 320 O VAL A 29 -8.487 -2.701 -10.950 1.00 0.00 O ATOM 321 CB VAL A 29 -7.366 0.573 -10.555 1.00 0.00 C ATOM 322 CG1 VAL A 29 -8.121 0.704 -11.867 1.00 0.00 C ATOM 323 CG2 VAL A 29 -7.702 1.758 -9.652 1.00 0.00 C ATOM 0 H VAL A 29 -5.871 -0.297 -8.950 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.718 -0.790 -9.512 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.298 0.573 -10.775 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.869 1.654 -12.338 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.843 -0.115 -12.530 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.193 0.667 -11.675 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.471 2.688 -10.171 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.763 1.736 -9.402 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.112 1.697 -8.737 1.00 0.00 H new ATOM 327 N GLU A 30 -6.327 -2.167 -11.351 1.00 0.00 N ATOM 328 CA GLU A 30 -5.846 -3.323 -12.040 1.00 0.00 C ATOM 329 C GLU A 30 -6.192 -4.620 -11.295 1.00 0.00 C ATOM 330 O GLU A 30 -6.554 -4.562 -10.119 1.00 0.00 O ATOM 331 CB GLU A 30 -4.381 -2.960 -12.043 1.00 0.00 C ATOM 332 CG GLU A 30 -3.482 -3.937 -12.800 1.00 0.00 C ATOM 333 CD GLU A 30 -2.124 -3.331 -13.131 1.00 0.00 C ATOM 334 OE1 GLU A 30 -1.583 -2.609 -12.264 1.00 0.00 O ATOM 335 OE2 GLU A 30 -1.656 -3.595 -14.259 1.00 0.00 O ATOM 0 H GLU A 30 -5.614 -1.438 -11.327 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.263 -3.532 -13.025 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.267 -1.969 -12.482 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.035 -2.894 -11.011 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.340 -4.836 -12.201 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.976 -4.243 -13.722 1.00 0.00 H new ATOM 338 N ASP A 31 -6.618 -5.626 -12.069 1.00 0.00 N ATOM 339 CA ASP A 31 -7.596 -5.278 -13.106 1.00 0.00 C ATOM 340 C ASP A 31 -8.942 -5.876 -12.752 1.00 0.00 C ATOM 341 O ASP A 31 -9.969 -5.463 -13.289 1.00 0.00 O ATOM 342 CB ASP A 31 -7.167 -5.799 -14.487 1.00 0.00 C ATOM 343 CG ASP A 31 -5.822 -5.266 -14.964 1.00 0.00 C ATOM 344 OD1 ASP A 31 -5.791 -4.092 -15.392 1.00 0.00 O ATOM 345 OD2 ASP A 31 -4.849 -6.048 -14.893 1.00 0.00 O ATOM 0 H ASP A 31 -6.333 -6.604 -12.011 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.660 -4.191 -13.153 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.123 -6.888 -14.455 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.931 -5.532 -15.217 1.00 0.00 H new ATOM 348 N LEU A 32 -8.894 -6.805 -11.794 1.00 0.00 N ATOM 349 CA LEU A 32 -10.016 -7.378 -11.080 1.00 0.00 C ATOM 350 C LEU A 32 -11.146 -6.369 -10.777 1.00 0.00 C ATOM 351 O LEU A 32 -12.299 -6.795 -10.743 1.00 0.00 O ATOM 352 CB LEU A 32 -9.441 -8.004 -9.803 1.00 0.00 C ATOM 353 CG LEU A 32 -8.813 -7.092 -8.734 1.00 0.00 C ATOM 354 CD1 LEU A 32 -9.849 -6.337 -7.902 1.00 0.00 C ATOM 355 CD2 LEU A 32 -7.980 -7.960 -7.800 1.00 0.00 C ATOM 0 H LEU A 32 -8.005 -7.197 -11.483 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.504 -8.126 -11.705 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.243 -8.566 -9.324 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.682 -8.726 -10.105 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.211 -6.345 -9.251 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.341 -5.713 -7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.453 -5.709 -8.556 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.493 -7.051 -7.388 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.524 -7.335 -7.032 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.620 -8.705 -7.328 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.199 -8.462 -8.370 1.00 0.00 H new ATOM 359 N GLY A 33 -10.871 -5.055 -10.619 1.00 0.00 N ATOM 360 CA GLY A 33 -11.934 -4.066 -10.639 1.00 0.00 C ATOM 361 C GLY A 33 -11.884 -3.120 -9.433 1.00 0.00 C ATOM 362 O GLY A 33 -12.707 -3.325 -8.543 1.00 0.00 O ATOM 0 H GLY A 33 -9.935 -4.675 -10.480 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.864 -3.482 -11.557 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.898 -4.575 -10.657 1.00 0.00 H new ATOM 366 N ALA A 34 -10.994 -2.098 -9.396 1.00 0.00 N ATOM 367 CA ALA A 34 -11.070 -0.913 -8.547 1.00 0.00 C ATOM 368 C ALA A 34 -12.394 -0.699 -7.816 1.00 0.00 C ATOM 369 O ALA A 34 -13.446 -0.527 -8.433 1.00 0.00 O ATOM 370 CB ALA A 34 -10.806 0.298 -9.434 1.00 0.00 C ATOM 0 H ALA A 34 -10.167 -2.090 -9.993 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.331 -1.054 -7.758 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.854 1.206 -8.833 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -9.816 0.212 -9.882 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.558 0.343 -10.221 1.00 0.00 H new ATOM 373 N ASP A 35 -12.305 -0.665 -6.486 1.00 0.00 N ATOM 374 CA ASP A 35 -13.427 -0.279 -5.637 1.00 0.00 C ATOM 375 C ASP A 35 -13.486 1.260 -5.550 1.00 0.00 C ATOM 376 O ASP A 35 -12.562 1.928 -6.017 1.00 0.00 O ATOM 377 CB ASP A 35 -13.239 -0.913 -4.248 1.00 0.00 C ATOM 378 CG ASP A 35 -14.347 -0.614 -3.247 1.00 0.00 C ATOM 379 OD1 ASP A 35 -15.419 -1.243 -3.380 1.00 0.00 O ATOM 380 OD2 ASP A 35 -14.100 0.242 -2.369 1.00 0.00 O ATOM 0 H ASP A 35 -11.457 -0.903 -5.971 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.370 -0.634 -6.054 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.159 -1.994 -4.367 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.292 -0.567 -3.833 1.00 0.00 H new ATOM 383 N SER A 36 -14.564 1.829 -4.974 1.00 0.00 N ATOM 384 CA SER A 36 -14.764 3.272 -4.826 1.00 0.00 C ATOM 385 C SER A 36 -13.542 3.992 -4.241 1.00 0.00 C ATOM 386 O SER A 36 -13.304 5.149 -4.577 1.00 0.00 O ATOM 387 CB SER A 36 -15.975 3.527 -3.920 1.00 0.00 C ATOM 388 OG SER A 36 -16.244 4.925 -3.829 1.00 0.00 O ATOM 0 H SER A 36 -15.334 1.279 -4.592 1.00 0.00 H new ATOM 0 HA SER A 36 -14.929 3.674 -5.826 1.00 0.00 H new ATOM 0 HB2 SER A 36 -16.848 3.007 -4.315 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.785 3.122 -2.926 1.00 0.00 H new ATOM 0 HG SER A 36 -17.020 5.072 -3.249 1.00 0.00 H new ATOM 392 N LEU A 37 -12.785 3.316 -3.366 1.00 0.00 N ATOM 393 CA LEU A 37 -11.599 3.858 -2.724 1.00 0.00 C ATOM 394 C LEU A 37 -10.831 2.707 -2.056 1.00 0.00 C ATOM 395 O LEU A 37 -10.406 2.823 -0.912 1.00 0.00 O ATOM 396 CB LEU A 37 -11.994 4.949 -1.702 1.00 0.00 C ATOM 397 CG LEU A 37 -13.233 4.761 -0.801 1.00 0.00 C ATOM 398 CD1 LEU A 37 -13.215 3.475 0.022 1.00 0.00 C ATOM 399 CD2 LEU A 37 -13.328 5.946 0.157 1.00 0.00 C ATOM 0 H LEU A 37 -12.992 2.358 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.952 4.329 -3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.138 5.101 -1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.137 5.875 -2.258 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.093 4.697 -1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.119 3.418 0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.171 2.616 -0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.341 3.472 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.200 5.825 0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.428 5.991 0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -13.424 6.869 -0.415 1.00 0.00 H new ATOM 403 N ASP A 38 -10.653 1.584 -2.767 1.00 0.00 N ATOM 404 CA ASP A 38 -10.050 0.371 -2.270 1.00 0.00 C ATOM 405 C ASP A 38 -8.610 0.548 -1.799 1.00 0.00 C ATOM 406 O ASP A 38 -8.231 -0.063 -0.808 1.00 0.00 O ATOM 407 CB ASP A 38 -10.119 -0.636 -3.407 1.00 0.00 C ATOM 408 CG ASP A 38 -9.606 -2.016 -3.021 1.00 0.00 C ATOM 409 OD1 ASP A 38 -10.357 -2.721 -2.312 1.00 0.00 O ATOM 410 OD2 ASP A 38 -8.469 -2.330 -3.434 1.00 0.00 O ATOM 0 H ASP A 38 -10.942 1.509 -3.742 1.00 0.00 H new ATOM 0 HA ASP A 38 -10.593 0.039 -1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.152 -0.721 -3.745 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.537 -0.262 -4.250 1.00 0.00 H new ATOM 413 N THR A 39 -7.801 1.356 -2.487 1.00 0.00 N ATOM 414 CA THR A 39 -6.509 1.781 -1.949 1.00 0.00 C ATOM 415 C THR A 39 -6.633 2.497 -0.589 1.00 0.00 C ATOM 416 O THR A 39 -5.800 2.274 0.289 1.00 0.00 O ATOM 417 CB THR A 39 -5.770 2.659 -2.980 1.00 0.00 C ATOM 418 OG1 THR A 39 -4.472 2.979 -2.480 1.00 0.00 O ATOM 419 CG2 THR A 39 -6.482 3.969 -3.328 1.00 0.00 C ATOM 0 H THR A 39 -8.017 1.727 -3.412 1.00 0.00 H new ATOM 0 HA THR A 39 -5.922 0.882 -1.762 1.00 0.00 H new ATOM 0 HB THR A 39 -5.730 2.068 -3.895 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.795 2.488 -2.991 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.891 4.521 -4.059 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.464 3.749 -3.747 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.598 4.571 -2.426 1.00 0.00 H new ATOM 424 N VAL A 40 -7.664 3.329 -0.399 1.00 0.00 N ATOM 425 CA VAL A 40 -7.979 3.966 0.875 1.00 0.00 C ATOM 426 C VAL A 40 -8.465 2.914 1.870 1.00 0.00 C ATOM 427 O VAL A 40 -8.202 3.018 3.065 1.00 0.00 O ATOM 428 CB VAL A 40 -9.052 5.055 0.667 1.00 0.00 C ATOM 429 CG1 VAL A 40 -9.395 5.773 1.972 1.00 0.00 C ATOM 430 CG2 VAL A 40 -8.598 6.107 -0.345 1.00 0.00 C ATOM 0 H VAL A 40 -8.313 3.580 -1.145 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.082 4.438 1.276 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.934 4.536 0.292 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.154 6.532 1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.776 5.052 2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.499 6.248 2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.380 6.857 -0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.687 6.586 0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.404 5.628 -1.305 1.00 0.00 H new ATOM 434 N GLU A 41 -9.131 1.884 1.351 1.00 0.00 N ATOM 435 CA GLU A 41 -9.570 0.726 2.073 1.00 0.00 C ATOM 436 C GLU A 41 -8.394 -0.146 2.516 1.00 0.00 C ATOM 437 O GLU A 41 -8.455 -0.689 3.617 1.00 0.00 O ATOM 438 CB GLU A 41 -10.496 -0.013 1.120 1.00 0.00 C ATOM 439 CG GLU A 41 -11.155 -1.240 1.753 1.00 0.00 C ATOM 440 CD GLU A 41 -12.004 -0.887 2.967 1.00 0.00 C ATOM 441 OE1 GLU A 41 -13.133 -0.402 2.745 1.00 0.00 O ATOM 442 OE2 GLU A 41 -11.501 -1.100 4.092 1.00 0.00 O ATOM 0 H GLU A 41 -9.384 1.848 0.364 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.082 0.999 2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.271 0.670 0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.930 -0.324 0.242 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.779 -1.737 1.010 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.383 -1.951 2.048 1.00 0.00 H new ATOM 445 N LEU A 42 -7.314 -0.240 1.718 1.00 0.00 N ATOM 446 CA LEU A 42 -6.089 -0.897 2.086 1.00 0.00 C ATOM 447 C LEU A 42 -5.593 -0.363 3.429 1.00 0.00 C ATOM 448 O LEU A 42 -5.378 -1.171 4.329 1.00 0.00 O ATOM 449 CB LEU A 42 -5.120 -0.654 0.935 1.00 0.00 C ATOM 450 CG LEU A 42 -3.865 -1.526 1.012 1.00 0.00 C ATOM 451 CD1 LEU A 42 -3.137 -1.546 -0.319 1.00 0.00 C ATOM 452 CD2 LEU A 42 -2.875 -1.078 2.083 1.00 0.00 C ATOM 0 H LEU A 42 -7.290 0.156 0.778 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.210 -1.970 2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.631 -0.846 -0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.826 0.396 0.931 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.226 -2.520 1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.249 -2.172 -0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.796 -1.948 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.842 -0.532 -0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.010 -1.742 2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.550 -0.058 1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.356 -1.113 3.061 1.00 0.00 H new ATOM 456 N VAL A 43 -5.580 0.970 3.595 1.00 0.00 N ATOM 457 CA VAL A 43 -6.251 1.629 4.712 1.00 0.00 C ATOM 458 C VAL A 43 -5.619 3.031 4.922 1.00 0.00 C ATOM 459 O VAL A 43 -4.395 3.129 4.839 1.00 0.00 O ATOM 460 CB VAL A 43 -6.192 0.811 6.022 1.00 0.00 C ATOM 461 CG1 VAL A 43 -4.794 0.748 6.639 1.00 0.00 C ATOM 462 CG2 VAL A 43 -7.162 1.376 7.057 1.00 0.00 C ATOM 0 H VAL A 43 -5.106 1.612 2.960 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.307 1.719 4.458 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.477 -0.204 5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.827 0.158 7.555 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.105 0.284 5.933 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.452 1.757 6.869 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.104 0.785 7.971 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.898 2.411 7.276 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.178 1.336 6.663 1.00 0.00 H new ATOM 466 N MET A 44 -6.356 4.111 5.261 1.00 0.00 N ATOM 467 CA MET A 44 -5.699 5.331 5.703 1.00 0.00 C ATOM 468 C MET A 44 -5.118 5.278 7.125 1.00 0.00 C ATOM 469 O MET A 44 -4.580 6.281 7.586 1.00 0.00 O ATOM 470 CB MET A 44 -6.718 6.473 5.570 1.00 0.00 C ATOM 471 CG MET A 44 -8.040 6.301 6.338 1.00 0.00 C ATOM 472 SD MET A 44 -8.014 6.477 8.138 1.00 0.00 S ATOM 473 CE MET A 44 -7.896 8.281 8.201 1.00 0.00 C ATOM 0 H MET A 44 -7.375 4.152 5.235 1.00 0.00 H new ATOM 0 HA MET A 44 -4.826 5.485 5.069 1.00 0.00 H new ATOM 0 HB2 MET A 44 -6.244 7.395 5.907 1.00 0.00 H new ATOM 0 HB3 MET A 44 -6.951 6.602 4.513 1.00 0.00 H new ATOM 0 HG2 MET A 44 -8.751 7.027 5.943 1.00 0.00 H new ATOM 0 HG3 MET A 44 -8.433 5.311 6.106 1.00 0.00 H new ATOM 0 HE1 MET A 44 -8.149 8.627 9.203 1.00 0.00 H new ATOM 0 HE2 MET A 44 -6.879 8.588 7.957 1.00 0.00 H new ATOM 0 HE3 MET A 44 -8.589 8.716 7.481 1.00 0.00 H new ATOM 476 N ALA A 45 -5.144 4.124 7.805 1.00 0.00 N ATOM 477 CA ALA A 45 -4.306 3.881 8.980 1.00 0.00 C ATOM 478 C ALA A 45 -2.811 4.043 8.665 1.00 0.00 C ATOM 479 O ALA A 45 -2.053 4.465 9.537 1.00 0.00 O ATOM 480 CB ALA A 45 -4.564 2.488 9.557 1.00 0.00 C ATOM 0 H ALA A 45 -5.744 3.338 7.555 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.578 4.632 9.721 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.929 2.332 10.429 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.610 2.404 9.850 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.337 1.734 8.803 1.00 0.00 H new ATOM 483 N LEU A 46 -2.393 3.740 7.425 1.00 0.00 N ATOM 484 CA LEU A 46 -1.063 3.915 6.887 1.00 0.00 C ATOM 485 C LEU A 46 -0.591 5.369 6.875 1.00 0.00 C ATOM 486 O LEU A 46 0.622 5.552 6.779 1.00 0.00 O ATOM 487 CB LEU A 46 -1.115 3.391 5.461 1.00 0.00 C ATOM 488 CG LEU A 46 -1.334 1.890 5.322 1.00 0.00 C ATOM 489 CD1 LEU A 46 -1.655 1.588 3.869 1.00 0.00 C ATOM 490 CD2 LEU A 46 -0.098 1.104 5.746 1.00 0.00 C ATOM 0 H LEU A 46 -3.031 3.340 6.737 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.353 3.381 7.518 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.915 3.908 4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.182 3.652 4.962 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.156 1.590 5.972 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.816 0.517 3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.557 2.126 3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.823 1.904 3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.289 0.037 5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.747 1.389 5.119 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.133 1.324 6.788 1.00 0.00 H new ATOM 494 N GLU A 47 -1.498 6.347 7.092 1.00 0.00 N ATOM 495 CA GLU A 47 -1.220 7.795 7.187 1.00 0.00 C ATOM 496 C GLU A 47 -2.240 8.612 8.022 1.00 0.00 C ATOM 497 O GLU A 47 -2.128 9.832 8.065 1.00 0.00 O ATOM 498 CB GLU A 47 0.178 8.024 7.792 1.00 0.00 C ATOM 499 CG GLU A 47 0.908 9.301 7.367 1.00 0.00 C ATOM 500 CD GLU A 47 0.530 10.573 8.113 1.00 0.00 C ATOM 501 OE1 GLU A 47 0.528 10.531 9.363 1.00 0.00 O ATOM 502 OE2 GLU A 47 0.262 11.576 7.417 1.00 0.00 O ATOM 0 H GLU A 47 -2.489 6.137 7.211 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.293 8.155 6.161 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.082 8.032 8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.805 7.171 7.533 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.979 9.139 7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.727 9.461 6.304 1.00 0.00 H new ATOM 505 N GLU A 48 -3.068 8.002 8.888 1.00 0.00 N ATOM 506 CA GLU A 48 -2.999 8.219 10.308 1.00 0.00 C ATOM 507 C GLU A 48 -1.584 8.031 10.884 1.00 0.00 C ATOM 508 O GLU A 48 -0.969 9.027 11.260 1.00 0.00 O ATOM 509 CB GLU A 48 -3.952 7.187 10.895 1.00 0.00 C ATOM 510 CG GLU A 48 -5.420 7.402 10.528 1.00 0.00 C ATOM 511 CD GLU A 48 -5.966 8.722 11.054 1.00 0.00 C ATOM 512 OE1 GLU A 48 -5.742 9.744 10.368 1.00 0.00 O ATOM 513 OE2 GLU A 48 -6.592 8.684 12.135 1.00 0.00 O ATOM 0 H GLU A 48 -3.797 7.348 8.604 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.264 9.247 10.554 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.647 6.196 10.558 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.856 7.198 11.981 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.528 7.374 9.444 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.015 6.581 10.928 1.00 0.00 H new ATOM 516 N GLU A 49 -1.105 6.783 11.039 1.00 0.00 N ATOM 517 CA GLU A 49 0.083 6.469 11.843 1.00 0.00 C ATOM 518 C GLU A 49 1.347 7.187 11.383 1.00 0.00 C ATOM 519 O GLU A 49 1.820 8.080 12.084 1.00 0.00 O ATOM 520 CB GLU A 49 0.394 4.960 11.888 1.00 0.00 C ATOM 521 CG GLU A 49 -0.772 4.108 12.384 1.00 0.00 C ATOM 522 CD GLU A 49 -1.251 4.486 13.777 1.00 0.00 C ATOM 523 OE1 GLU A 49 -0.646 3.977 14.745 1.00 0.00 O ATOM 524 OE2 GLU A 49 -2.221 5.271 13.846 1.00 0.00 O ATOM 0 H GLU A 49 -1.534 5.964 10.608 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.186 6.826 12.837 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.677 4.626 10.890 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.255 4.795 12.536 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.603 4.202 11.685 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.472 3.060 12.384 1.00 0.00 H new ATOM 527 N PHE A 50 1.942 6.764 10.260 1.00 0.00 N ATOM 528 CA PHE A 50 3.368 6.948 10.098 1.00 0.00 C ATOM 529 C PHE A 50 3.677 8.095 9.127 1.00 0.00 C ATOM 530 O PHE A 50 4.412 7.947 8.154 1.00 0.00 O ATOM 531 CB PHE A 50 3.965 5.604 9.664 1.00 0.00 C ATOM 532 CG PHE A 50 3.442 4.859 8.451 1.00 0.00 C ATOM 533 CD1 PHE A 50 2.474 3.852 8.637 1.00 0.00 C ATOM 534 CD2 PHE A 50 4.292 4.791 7.335 1.00 0.00 C ATOM 535 CE1 PHE A 50 2.355 2.796 7.712 1.00 0.00 C ATOM 536 CE2 PHE A 50 4.189 3.729 6.423 1.00 0.00 C ATOM 537 CZ PHE A 50 3.230 2.722 6.612 1.00 0.00 C ATOM 0 H PHE A 50 1.467 6.308 9.481 1.00 0.00 H new ATOM 0 HA PHE A 50 3.830 7.248 11.039 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.030 5.769 9.500 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.875 4.928 10.514 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.819 3.890 9.495 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.031 5.562 7.177 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.592 2.043 7.847 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.851 3.687 5.571 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.164 1.897 5.919 1.00 0.00 H new ATOM 541 N ASP A 51 3.200 9.277 9.541 1.00 0.00 N ATOM 542 CA ASP A 51 3.644 10.634 9.223 1.00 0.00 C ATOM 543 C ASP A 51 4.299 10.863 7.840 1.00 0.00 C ATOM 544 O ASP A 51 5.519 10.790 7.706 1.00 0.00 O ATOM 545 CB ASP A 51 4.616 11.067 10.342 1.00 0.00 C ATOM 546 CG ASP A 51 5.850 10.192 10.567 1.00 0.00 C ATOM 547 OD1 ASP A 51 5.688 9.113 11.179 1.00 0.00 O ATOM 548 OD2 ASP A 51 6.942 10.632 10.150 1.00 0.00 O ATOM 0 H ASP A 51 2.404 9.304 10.178 1.00 0.00 H new ATOM 0 HA ASP A 51 2.738 11.238 9.165 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.954 12.080 10.124 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.058 11.112 11.277 1.00 0.00 H new ATOM 551 N THR A 52 3.509 11.332 6.855 1.00 0.00 N ATOM 552 CA THR A 52 3.822 12.600 6.191 1.00 0.00 C ATOM 553 C THR A 52 2.685 12.956 5.208 1.00 0.00 C ATOM 554 O THR A 52 1.826 12.116 4.940 1.00 0.00 O ATOM 555 CB THR A 52 5.176 12.567 5.449 1.00 0.00 C ATOM 556 OG1 THR A 52 5.542 13.895 5.079 1.00 0.00 O ATOM 557 CG2 THR A 52 5.160 11.711 4.183 1.00 0.00 C ATOM 0 H THR A 52 2.671 10.862 6.512 1.00 0.00 H new ATOM 0 HA THR A 52 3.907 13.364 6.964 1.00 0.00 H new ATOM 0 HB THR A 52 5.892 12.121 6.139 1.00 0.00 H new ATOM 0 HG1 THR A 52 6.402 13.878 4.609 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.144 11.735 3.715 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.906 10.683 4.442 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.418 12.104 3.488 1.00 0.00 H new ATOM 562 N GLU A 53 2.674 14.171 4.632 1.00 0.00 N ATOM 563 CA GLU A 53 1.692 14.606 3.683 1.00 0.00 C ATOM 564 C GLU A 53 2.262 14.439 2.275 1.00 0.00 C ATOM 565 O GLU A 53 2.799 15.384 1.696 1.00 0.00 O ATOM 566 CB GLU A 53 1.456 16.060 4.053 1.00 0.00 C ATOM 567 CG GLU A 53 0.380 16.736 3.205 1.00 0.00 C ATOM 568 CD GLU A 53 0.205 18.205 3.563 1.00 0.00 C ATOM 569 OE1 GLU A 53 -0.575 18.473 4.502 1.00 0.00 O ATOM 570 OE2 GLU A 53 0.860 19.033 2.893 1.00 0.00 O ATOM 0 H GLU A 53 3.378 14.881 4.835 1.00 0.00 H new ATOM 0 HA GLU A 53 0.759 14.043 3.699 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.170 16.118 5.103 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.391 16.610 3.947 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.643 16.649 2.151 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.568 16.215 3.341 1.00 0.00 H new ATOM 573 N ILE A 54 2.184 13.203 1.765 1.00 0.00 N ATOM 574 CA ILE A 54 2.644 12.791 0.437 1.00 0.00 C ATOM 575 C ILE A 54 2.270 13.817 -0.644 1.00 0.00 C ATOM 576 O ILE A 54 1.091 13.950 -0.974 1.00 0.00 O ATOM 577 CB ILE A 54 2.050 11.420 0.056 1.00 0.00 C ATOM 578 CG1 ILE A 54 2.329 10.350 1.119 1.00 0.00 C ATOM 579 CG2 ILE A 54 2.632 10.955 -1.285 1.00 0.00 C ATOM 580 CD1 ILE A 54 1.586 9.029 0.889 1.00 0.00 C ATOM 0 H ILE A 54 1.780 12.429 2.293 1.00 0.00 H new ATOM 0 HA ILE A 54 3.731 12.722 0.488 1.00 0.00 H new ATOM 0 HB ILE A 54 0.970 11.547 -0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.400 10.152 1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.053 10.744 2.097 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.209 9.986 -1.549 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.386 11.681 -2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.715 10.867 -1.201 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.838 8.327 1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.511 9.211 0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.880 8.609 -0.073 1.00 0.00 H new ATOM 584 N PRO A 55 3.263 14.489 -1.245 1.00 0.00 N ATOM 585 CA PRO A 55 3.110 15.227 -2.495 1.00 0.00 C ATOM 586 C PRO A 55 3.003 14.253 -3.668 1.00 0.00 C ATOM 587 O PRO A 55 3.359 13.078 -3.571 1.00 0.00 O ATOM 588 CB PRO A 55 4.386 16.054 -2.533 1.00 0.00 C ATOM 589 CG PRO A 55 5.421 15.068 -2.040 1.00 0.00 C ATOM 590 CD PRO A 55 4.671 14.467 -0.852 1.00 0.00 C ATOM 0 HA PRO A 55 2.213 15.842 -2.561 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.610 16.411 -3.538 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.321 16.932 -1.890 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.677 14.322 -2.792 1.00 0.00 H new ATOM 0 HG3 PRO A 55 6.351 15.553 -1.743 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.008 13.451 -0.645 1.00 0.00 H new ATOM 0 HD3 PRO A 55 4.837 15.048 0.055 1.00 0.00 H new ATOM 594 N ASP A 56 2.505 14.774 -4.790 1.00 0.00 N ATOM 595 CA ASP A 56 2.033 13.958 -5.897 1.00 0.00 C ATOM 596 C ASP A 56 3.168 13.304 -6.692 1.00 0.00 C ATOM 597 O ASP A 56 2.949 12.245 -7.279 1.00 0.00 O ATOM 598 CB ASP A 56 1.191 14.845 -6.819 1.00 0.00 C ATOM 599 CG ASP A 56 1.968 15.989 -7.463 1.00 0.00 C ATOM 600 OD1 ASP A 56 2.068 17.051 -6.810 1.00 0.00 O ATOM 601 OD2 ASP A 56 2.450 15.779 -8.598 1.00 0.00 O ATOM 0 H ASP A 56 2.420 15.777 -4.952 1.00 0.00 H new ATOM 0 HA ASP A 56 1.442 13.140 -5.485 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.758 14.226 -7.605 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.361 15.260 -6.247 1.00 0.00 H new ATOM 604 N GLU A 57 4.388 13.859 -6.656 1.00 0.00 N ATOM 605 CA GLU A 57 5.550 13.232 -7.257 1.00 0.00 C ATOM 606 C GLU A 57 5.926 11.904 -6.592 1.00 0.00 C ATOM 607 O GLU A 57 6.466 11.025 -7.262 1.00 0.00 O ATOM 608 CB GLU A 57 6.708 14.221 -7.157 1.00 0.00 C ATOM 609 CG GLU A 57 7.958 13.776 -7.921 1.00 0.00 C ATOM 610 CD GLU A 57 7.704 13.612 -9.414 1.00 0.00 C ATOM 611 OE1 GLU A 57 7.781 14.641 -10.120 1.00 0.00 O ATOM 612 OE2 GLU A 57 7.436 12.461 -9.823 1.00 0.00 O ATOM 0 H GLU A 57 4.586 14.754 -6.208 1.00 0.00 H new ATOM 0 HA GLU A 57 5.319 12.990 -8.294 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.383 15.189 -7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.965 14.363 -6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.752 14.508 -7.769 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.313 12.831 -7.511 1.00 0.00 H new ATOM 615 N GLU A 58 5.597 11.723 -5.309 1.00 0.00 N ATOM 616 CA GLU A 58 5.809 10.464 -4.626 1.00 0.00 C ATOM 617 C GLU A 58 4.474 9.792 -4.276 1.00 0.00 C ATOM 618 O GLU A 58 4.406 8.961 -3.373 1.00 0.00 O ATOM 619 CB GLU A 58 6.638 10.753 -3.372 1.00 0.00 C ATOM 620 CG GLU A 58 5.945 11.619 -2.315 1.00 0.00 C ATOM 621 CD GLU A 58 6.850 12.042 -1.169 1.00 0.00 C ATOM 622 OE1 GLU A 58 7.893 12.665 -1.463 1.00 0.00 O ATOM 623 OE2 GLU A 58 6.463 11.765 -0.016 1.00 0.00 O ATOM 0 H GLU A 58 5.179 12.448 -4.726 1.00 0.00 H new ATOM 0 HA GLU A 58 6.342 9.767 -5.273 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.917 9.804 -2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.562 11.246 -3.673 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.546 12.511 -2.797 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.096 11.069 -1.909 1.00 0.00 H new ATOM 626 N ALA A 59 3.439 10.113 -5.060 1.00 0.00 N ATOM 627 CA ALA A 59 2.081 9.599 -4.924 1.00 0.00 C ATOM 628 C ALA A 59 1.740 8.553 -5.993 1.00 0.00 C ATOM 629 O ALA A 59 1.268 7.477 -5.635 1.00 0.00 O ATOM 630 CB ALA A 59 1.116 10.776 -5.012 1.00 0.00 C ATOM 0 H ALA A 59 3.534 10.766 -5.838 1.00 0.00 H new ATOM 0 HA ALA A 59 1.995 9.096 -3.961 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.092 10.415 -4.913 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.331 11.483 -4.211 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.234 11.272 -5.975 1.00 0.00 H new ATOM 633 N GLU A 60 2.043 8.809 -7.274 1.00 0.00 N ATOM 634 CA GLU A 60 2.214 7.831 -8.331 1.00 0.00 C ATOM 635 C GLU A 60 3.037 6.604 -7.908 1.00 0.00 C ATOM 636 O GLU A 60 2.881 5.537 -8.499 1.00 0.00 O ATOM 637 CB GLU A 60 2.949 8.573 -9.442 1.00 0.00 C ATOM 638 CG GLU A 60 2.213 9.793 -10.000 1.00 0.00 C ATOM 639 CD GLU A 60 3.104 10.632 -10.905 1.00 0.00 C ATOM 640 OE1 GLU A 60 3.793 11.518 -10.353 1.00 0.00 O ATOM 641 OE2 GLU A 60 3.084 10.372 -12.128 1.00 0.00 O ATOM 0 H GLU A 60 2.181 9.763 -7.608 1.00 0.00 H new ATOM 0 HA GLU A 60 1.242 7.439 -8.629 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.919 8.894 -9.064 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.140 7.877 -10.259 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.337 9.464 -10.558 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.853 10.408 -9.175 1.00 0.00 H new ATOM 644 N LYS A 61 3.914 6.746 -6.903 1.00 0.00 N ATOM 645 CA LYS A 61 4.788 5.707 -6.412 1.00 0.00 C ATOM 646 C LYS A 61 4.212 5.089 -5.126 1.00 0.00 C ATOM 647 O LYS A 61 4.933 4.477 -4.343 1.00 0.00 O ATOM 648 CB LYS A 61 6.134 6.390 -6.172 1.00 0.00 C ATOM 649 CG LYS A 61 7.280 5.435 -5.819 1.00 0.00 C ATOM 650 CD LYS A 61 7.524 4.305 -6.829 1.00 0.00 C ATOM 651 CE LYS A 61 8.020 4.734 -8.216 1.00 0.00 C ATOM 652 NZ LYS A 61 6.995 5.434 -9.009 1.00 0.00 N ATOM 0 H LYS A 61 4.027 7.627 -6.401 1.00 0.00 H new ATOM 0 HA LYS A 61 4.895 4.882 -7.116 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.407 6.950 -7.067 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.020 7.114 -5.365 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.197 6.015 -5.719 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.075 4.992 -4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.252 3.615 -6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.594 3.750 -6.954 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.887 5.385 -8.099 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.354 3.853 -8.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.105 5.188 -10.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.049 5.148 -8.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.106 6.461 -8.890 1.00 0.00 H new ATOM 658 N ILE A 62 2.892 5.213 -4.941 1.00 0.00 N ATOM 659 CA ILE A 62 2.115 4.617 -3.867 1.00 0.00 C ATOM 660 C ILE A 62 0.986 3.747 -4.442 1.00 0.00 C ATOM 661 O ILE A 62 0.594 2.763 -3.820 1.00 0.00 O ATOM 662 CB ILE A 62 1.525 5.769 -3.052 1.00 0.00 C ATOM 663 CG1 ILE A 62 2.621 6.691 -2.490 1.00 0.00 C ATOM 664 CG2 ILE A 62 0.652 5.274 -1.892 1.00 0.00 C ATOM 665 CD1 ILE A 62 3.658 6.022 -1.575 1.00 0.00 C ATOM 0 H ILE A 62 2.313 5.763 -5.576 1.00 0.00 H new ATOM 0 HA ILE A 62 2.742 3.978 -3.246 1.00 0.00 H new ATOM 0 HB ILE A 62 0.901 6.331 -3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.147 7.150 -3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.141 7.497 -1.934 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.256 6.129 -1.344 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.174 4.681 -2.285 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.252 4.659 -1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.380 6.766 -1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.155 5.588 -0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 62 4.176 5.237 -2.125 1.00 0.00 H new ATOM 669 N THR A 63 0.450 4.124 -5.611 1.00 0.00 N ATOM 670 CA THR A 63 -0.816 3.617 -6.150 1.00 0.00 C ATOM 671 C THR A 63 -0.720 2.234 -6.833 1.00 0.00 C ATOM 672 O THR A 63 -1.567 1.904 -7.662 1.00 0.00 O ATOM 673 CB THR A 63 -1.359 4.637 -7.165 1.00 0.00 C ATOM 674 OG1 THR A 63 -0.391 4.866 -8.189 1.00 0.00 O ATOM 675 CG2 THR A 63 -1.708 5.974 -6.506 1.00 0.00 C ATOM 0 H THR A 63 0.897 4.807 -6.222 1.00 0.00 H new ATOM 0 HA THR A 63 -1.481 3.484 -5.297 1.00 0.00 H new ATOM 0 HB THR A 63 -2.271 4.216 -7.589 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.743 5.515 -8.833 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.087 6.663 -7.260 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.470 5.816 -5.743 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.815 6.396 -6.045 1.00 0.00 H new ATOM 680 N THR A 64 0.237 1.391 -6.427 1.00 0.00 N ATOM 681 CA THR A 64 0.253 -0.058 -6.630 1.00 0.00 C ATOM 682 C THR A 64 0.726 -0.667 -5.307 1.00 0.00 C ATOM 683 O THR A 64 1.217 0.071 -4.460 1.00 0.00 O ATOM 684 CB THR A 64 1.202 -0.430 -7.785 1.00 0.00 C ATOM 685 OG1 THR A 64 2.385 0.360 -7.739 1.00 0.00 O ATOM 686 CG2 THR A 64 0.523 -0.212 -9.135 1.00 0.00 C ATOM 0 H THR A 64 1.061 1.720 -5.923 1.00 0.00 H new ATOM 0 HA THR A 64 -0.732 -0.436 -6.903 1.00 0.00 H new ATOM 0 HB THR A 64 1.459 -1.483 -7.671 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.615 0.657 -8.644 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.211 -0.481 -9.936 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.369 -0.835 -9.198 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.241 0.836 -9.235 1.00 0.00 H new ATOM 691 N VAL A 65 0.655 -1.992 -5.100 1.00 0.00 N ATOM 692 CA VAL A 65 0.893 -2.480 -3.749 1.00 0.00 C ATOM 693 C VAL A 65 2.411 -2.521 -3.515 1.00 0.00 C ATOM 694 O VAL A 65 2.849 -2.063 -2.464 1.00 0.00 O ATOM 695 CB VAL A 65 0.296 -3.895 -3.540 1.00 0.00 C ATOM 696 CG1 VAL A 65 0.511 -4.372 -2.103 1.00 0.00 C ATOM 697 CG2 VAL A 65 -1.199 -3.986 -3.833 1.00 0.00 C ATOM 0 H VAL A 65 0.448 -2.699 -5.806 1.00 0.00 H new ATOM 0 HA VAL A 65 0.407 -1.811 -3.039 1.00 0.00 H new ATOM 0 HB VAL A 65 0.825 -4.526 -4.254 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.083 -5.367 -1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.579 -4.407 -1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.024 -3.682 -1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.541 -5.007 -3.664 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.741 -3.307 -3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.384 -3.709 -4.871 1.00 0.00 H new ATOM 701 N GLN A 66 3.228 -2.950 -4.493 1.00 0.00 N ATOM 702 CA GLN A 66 4.679 -2.777 -4.368 1.00 0.00 C ATOM 703 C GLN A 66 5.123 -1.308 -4.391 1.00 0.00 C ATOM 704 O GLN A 66 6.267 -1.051 -4.025 1.00 0.00 O ATOM 705 CB GLN A 66 5.429 -3.535 -5.460 1.00 0.00 C ATOM 706 CG GLN A 66 5.198 -5.036 -5.336 1.00 0.00 C ATOM 707 CD GLN A 66 5.740 -5.647 -4.051 1.00 0.00 C ATOM 708 OE1 GLN A 66 5.224 -5.386 -2.966 1.00 0.00 O ATOM 709 NE2 GLN A 66 6.777 -6.477 -4.183 1.00 0.00 N ATOM 0 H GLN A 66 2.918 -3.405 -5.352 1.00 0.00 H new ATOM 0 HA GLN A 66 4.929 -3.188 -3.390 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.098 -3.192 -6.440 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.495 -3.320 -5.391 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.128 -5.234 -5.396 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.662 -5.535 -6.186 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.169 -6.661 -5.107 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.177 -6.928 -3.360 1.00 0.00 H new ATOM 714 N ALA A 67 4.223 -0.347 -4.661 1.00 0.00 N ATOM 715 CA ALA A 67 4.543 1.069 -4.502 1.00 0.00 C ATOM 716 C ALA A 67 4.050 1.643 -3.156 1.00 0.00 C ATOM 717 O ALA A 67 4.806 2.372 -2.516 1.00 0.00 O ATOM 718 CB ALA A 67 3.934 1.858 -5.660 1.00 0.00 C ATOM 0 H ALA A 67 3.275 -0.531 -4.988 1.00 0.00 H new ATOM 0 HA ALA A 67 5.629 1.163 -4.508 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.171 2.916 -5.544 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.344 1.495 -6.603 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.852 1.727 -5.660 1.00 0.00 H new ATOM 721 N ALA A 68 2.853 1.283 -2.673 1.00 0.00 N ATOM 722 CA ALA A 68 2.448 1.409 -1.271 1.00 0.00 C ATOM 723 C ALA A 68 3.511 0.833 -0.322 1.00 0.00 C ATOM 724 O ALA A 68 3.710 1.377 0.760 1.00 0.00 O ATOM 725 CB ALA A 68 1.106 0.691 -1.049 1.00 0.00 C ATOM 0 H ALA A 68 2.123 0.886 -3.264 1.00 0.00 H new ATOM 0 HA ALA A 68 2.339 2.470 -1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.810 0.788 -0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.344 1.140 -1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.212 -0.365 -1.299 1.00 0.00 H new ATOM 728 N ILE A 69 4.189 -0.245 -0.747 1.00 0.00 N ATOM 729 CA ILE A 69 5.251 -0.945 -0.034 1.00 0.00 C ATOM 730 C ILE A 69 6.624 -0.645 -0.728 1.00 0.00 C ATOM 731 O ILE A 69 7.599 -1.368 -0.543 1.00 0.00 O ATOM 732 CB ILE A 69 4.836 -2.449 -0.064 1.00 0.00 C ATOM 733 CG1 ILE A 69 3.650 -2.797 0.853 1.00 0.00 C ATOM 734 CG2 ILE A 69 5.921 -3.428 0.358 1.00 0.00 C ATOM 735 CD1 ILE A 69 2.271 -2.226 0.552 1.00 0.00 C ATOM 0 H ILE A 69 3.993 -0.671 -1.653 1.00 0.00 H new ATOM 0 HA ILE A 69 5.380 -0.627 1.001 1.00 0.00 H new ATOM 0 HB ILE A 69 4.589 -2.560 -1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.557 -3.883 0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.917 -2.487 1.863 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.534 -4.446 0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.779 -3.329 -0.307 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.229 -3.211 1.381 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.561 -2.577 1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.315 -1.137 0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.949 -2.555 -0.436 1.00 0.00 H new ATOM 739 N ASP A 70 6.741 0.446 -1.506 1.00 0.00 N ATOM 740 CA ASP A 70 7.963 0.845 -2.211 1.00 0.00 C ATOM 741 C ASP A 70 8.923 1.759 -1.428 1.00 0.00 C ATOM 742 O ASP A 70 10.075 1.395 -1.201 1.00 0.00 O ATOM 743 CB ASP A 70 7.551 1.560 -3.500 1.00 0.00 C ATOM 744 CG ASP A 70 8.724 1.962 -4.389 1.00 0.00 C ATOM 745 OD1 ASP A 70 9.108 1.131 -5.238 1.00 0.00 O ATOM 746 OD2 ASP A 70 9.214 3.098 -4.208 1.00 0.00 O ATOM 0 H ASP A 70 5.965 1.089 -1.663 1.00 0.00 H new ATOM 0 HA ASP A 70 8.522 -0.075 -2.383 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.885 0.910 -4.067 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.981 2.453 -3.242 1.00 0.00 H new ATOM 749 N TYR A 71 8.474 2.991 -1.155 1.00 0.00 N ATOM 750 CA TYR A 71 9.246 4.210 -1.064 1.00 0.00 C ATOM 751 C TYR A 71 10.174 4.292 0.137 1.00 0.00 C ATOM 752 O TYR A 71 11.385 4.405 -0.039 1.00 0.00 O ATOM 753 CB TYR A 71 8.205 5.317 -0.981 1.00 0.00 C ATOM 754 CG TYR A 71 8.717 6.737 -1.092 1.00 0.00 C ATOM 755 CD1 TYR A 71 10.040 7.003 -1.491 1.00 0.00 C ATOM 756 CD2 TYR A 71 7.824 7.804 -0.895 1.00 0.00 C ATOM 757 CE1 TYR A 71 10.482 8.329 -1.643 1.00 0.00 C ATOM 758 CE2 TYR A 71 8.264 9.128 -1.053 1.00 0.00 C ATOM 759 CZ TYR A 71 9.594 9.394 -1.417 1.00 0.00 C ATOM 760 OH TYR A 71 10.029 10.681 -1.526 1.00 0.00 O ATOM 0 H TYR A 71 7.483 3.160 -0.981 1.00 0.00 H new ATOM 0 HA TYR A 71 9.914 4.278 -1.923 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.472 5.156 -1.772 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.677 5.218 -0.033 1.00 0.00 H new ATOM 0 HD1 TYR A 71 10.719 6.185 -1.681 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.798 7.605 -0.622 1.00 0.00 H new ATOM 0 HE1 TYR A 71 11.503 8.529 -1.933 1.00 0.00 H new ATOM 0 HE2 TYR A 71 7.576 9.946 -0.894 1.00 0.00 H new ATOM 0 HH TYR A 71 9.260 11.288 -1.515 1.00 0.00 H new ATOM 764 N ILE A 72 9.571 4.323 1.330 1.00 0.00 N ATOM 765 CA ILE A 72 10.241 4.335 2.640 1.00 0.00 C ATOM 766 C ILE A 72 11.002 2.992 2.766 1.00 0.00 C ATOM 767 O ILE A 72 11.847 2.702 1.921 1.00 0.00 O ATOM 768 CB ILE A 72 9.194 4.591 3.760 1.00 0.00 C ATOM 769 CG1 ILE A 72 9.843 4.760 5.149 1.00 0.00 C ATOM 770 CG2 ILE A 72 8.353 5.843 3.526 1.00 0.00 C ATOM 771 CD1 ILE A 72 10.902 5.865 5.255 1.00 0.00 C ATOM 0 H ILE A 72 8.555 4.341 1.415 1.00 0.00 H new ATOM 0 HA ILE A 72 10.966 5.143 2.740 1.00 0.00 H new ATOM 0 HB ILE A 72 8.563 3.703 3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 72 9.056 4.964 5.875 1.00 0.00 H new ATOM 0 HG13 ILE A 72 10.302 3.813 5.434 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.643 5.962 4.344 1.00 0.00 H new ATOM 0 HG22 ILE A 72 9.004 6.716 3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.810 5.746 2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.293 5.898 6.272 1.00 0.00 H new ATOM 0 HD12 ILE A 72 11.715 5.657 4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.451 6.826 5.009 1.00 0.00 H new ATOM 775 N ASN A 73 10.645 2.067 3.668 1.00 0.00 N ATOM 776 CA ASN A 73 10.507 0.702 3.205 1.00 0.00 C ATOM 777 C ASN A 73 9.318 0.532 2.241 1.00 0.00 C ATOM 778 O ASN A 73 9.209 -0.526 1.627 1.00 0.00 O ATOM 779 CB ASN A 73 10.322 -0.190 4.429 1.00 0.00 C ATOM 780 CG ASN A 73 11.533 -0.189 5.354 1.00 0.00 C ATOM 781 OD1 ASN A 73 12.665 -0.350 4.902 1.00 0.00 O ATOM 782 ND2 ASN A 73 11.289 -0.011 6.654 1.00 0.00 N ATOM 0 H ASN A 73 10.459 2.232 4.657 1.00 0.00 H new ATOM 0 HA ASN A 73 11.402 0.424 2.649 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.446 0.143 4.986 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.122 -1.210 4.102 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.060 -0.004 7.321 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.331 0.119 6.980 1.00 0.00 H new ATOM 787 N GLY A 74 8.409 1.517 2.129 1.00 0.00 N ATOM 788 CA GLY A 74 7.113 1.323 1.509 1.00 0.00 C ATOM 789 C GLY A 74 6.327 2.615 1.260 1.00 0.00 C ATOM 790 O GLY A 74 6.081 2.942 0.103 1.00 0.00 O ATOM 0 H GLY A 74 8.565 2.465 2.470 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.253 0.809 0.558 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.516 0.666 2.142 1.00 0.00 H new ATOM 794 N HIS A 75 5.849 3.328 2.285 1.00 0.00 N ATOM 795 CA HIS A 75 4.738 4.216 2.106 1.00 0.00 C ATOM 796 C HIS A 75 5.189 5.682 1.995 1.00 0.00 C ATOM 797 O HIS A 75 6.221 5.956 1.387 1.00 0.00 O ATOM 798 CB HIS A 75 3.907 3.886 3.337 1.00 0.00 C ATOM 799 CG HIS A 75 2.463 4.288 3.231 1.00 0.00 C ATOM 800 ND1 HIS A 75 1.634 3.819 2.226 1.00 0.00 N ATOM 801 CD2 HIS A 75 1.739 5.150 4.011 1.00 0.00 C ATOM 802 CE1 HIS A 75 0.445 4.411 2.417 1.00 0.00 C ATOM 803 NE2 HIS A 75 0.467 5.227 3.484 1.00 0.00 N ATOM 0 H HIS A 75 6.223 3.296 3.233 1.00 0.00 H new ATOM 0 HA HIS A 75 4.177 4.090 1.180 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.961 2.813 3.521 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.348 4.381 4.202 1.00 0.00 H new ATOM 0 HD2 HIS A 75 2.100 5.675 4.883 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -0.421 4.252 1.792 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -0.306 5.793 3.835 1.00 0.00 H new ATOM 810 N GLN A 76 4.380 6.598 2.540 1.00 0.00 N ATOM 811 CA GLN A 76 4.369 8.057 2.370 1.00 0.00 C ATOM 812 C GLN A 76 5.663 8.692 1.835 1.00 0.00 C ATOM 813 O GLN A 76 5.606 9.193 0.715 1.00 0.00 O ATOM 814 CB GLN A 76 3.937 8.766 3.680 1.00 0.00 C ATOM 815 CG GLN A 76 4.261 8.095 5.024 1.00 0.00 C ATOM 816 CD GLN A 76 5.733 8.000 5.394 1.00 0.00 C ATOM 817 OE1 GLN A 76 6.436 9.007 5.441 1.00 0.00 O ATOM 818 NE2 GLN A 76 6.201 6.783 5.670 1.00 0.00 N ATOM 0 H GLN A 76 3.639 6.305 3.178 1.00 0.00 H new ATOM 0 HA GLN A 76 3.634 8.216 1.581 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.394 9.756 3.686 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.858 8.913 3.636 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.745 8.643 5.813 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.846 7.087 5.012 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.581 5.974 5.618 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.179 6.660 5.933 1.00 0.00 H new ATOM 823 N ALA A 77 6.797 8.714 2.554 1.00 0.00 N ATOM 824 CA ALA A 77 8.005 9.375 2.067 1.00 0.00 C ATOM 825 C ALA A 77 9.275 8.672 2.537 1.00 0.00 C ATOM 826 O ALA A 77 9.584 8.732 3.727 1.00 0.00 O ATOM 827 CB ALA A 77 8.027 10.832 2.531 1.00 0.00 C ATOM 828 OXT ALA A 77 9.955 8.087 1.694 1.00 0.00 O ATOM 0 H ALA A 77 6.896 8.281 3.472 1.00 0.00 H new ATOM 0 HA ALA A 77 7.982 9.330 0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.931 11.317 2.163 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.152 11.351 2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.014 10.867 3.620 1.00 0.00 H new TER 830 ALA A 77