USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 463 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 4 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 125:sc= 0.0116 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.282 X(o=-0.28,f=-0.51) USER MOD Single : A 19 THR OG1 : rot 180:sc= -1.4 USER MOD Single : A 28 ASN : amide:sc=-0.00803 X(o=-0.008,f=-0.095) USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= 0.275 (180deg=0.209) USER MOD Single : A 33 GLN : amide:sc= -0.155 K(o=-0.16,f=-0.69) USER MOD Single : A 43 ASN : amide:sc= -0.393 X(o=-0.39,f=-0.75) USER MOD Single : A 48 MET CE :methyl 144:sc= -0.0186 (180deg=-0.296) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 55 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0252) USER MOD Single : A 58 LYS NZ :NH3+ -169:sc= -0.0041 (180deg=-0.135) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 66.844 23.291 29.108 1.00 28.47 N ATOM 2 CA VAL A 2 65.545 22.686 29.510 1.00 27.63 C ATOM 3 C VAL A 2 65.439 21.242 29.023 1.00 27.22 C ATOM 4 O VAL A 2 65.799 20.933 27.888 1.00 27.29 O ATOM 5 CB VAL A 2 64.348 23.505 28.970 1.00 29.44 C ATOM 6 CG1 VAL A 2 64.345 23.536 27.447 1.00 30.68 C ATOM 7 CG2 VAL A 2 63.034 22.952 29.502 1.00 28.06 C ATOM 0 HA VAL A 2 65.510 22.697 30.599 1.00 27.63 H new ATOM 0 HB VAL A 2 64.456 24.530 29.324 1.00 29.44 H new ATOM 0 HG11 VAL A 2 63.493 24.118 27.097 1.00 30.68 H new ATOM 0 HG12 VAL A 2 65.268 23.993 27.091 1.00 30.68 H new ATOM 0 HG13 VAL A 2 64.272 22.519 27.063 1.00 30.68 H new ATOM 0 HG21 VAL A 2 62.206 23.542 29.110 1.00 28.06 H new ATOM 0 HG22 VAL A 2 62.922 21.915 29.187 1.00 28.06 H new ATOM 0 HG23 VAL A 2 63.032 23.002 30.591 1.00 28.06 H new ATOM 19 N ASP A 3 64.932 20.364 29.887 1.00 25.50 N ATOM 20 CA ASP A 3 64.787 18.951 29.550 1.00 24.73 C ATOM 21 C ASP A 3 63.484 18.691 28.797 1.00 23.55 C ATOM 22 O ASP A 3 62.514 19.438 28.934 1.00 25.41 O ATOM 23 CB ASP A 3 64.842 18.090 30.814 1.00 24.12 C ATOM 24 CG ASP A 3 66.218 18.084 31.451 1.00 23.15 C ATOM 25 OD1 ASP A 3 66.513 19.009 32.238 1.00 27.21 O ATOM 26 OD2 ASP A 3 67.002 17.156 31.162 1.00 23.64 O ATOM 0 H ASP A 3 64.615 20.607 30.825 1.00 25.50 H new ATOM 0 HA ASP A 3 65.617 18.679 28.898 1.00 24.73 H new ATOM 0 HB2 ASP A 3 64.113 18.461 31.535 1.00 24.12 H new ATOM 0 HB3 ASP A 3 64.555 17.068 30.567 1.00 24.12 H new ATOM 31 N TYR A 4 63.477 17.622 28.005 1.00 22.85 N ATOM 32 CA TYR A 4 62.305 17.244 27.222 1.00 20.38 C ATOM 33 C TYR A 4 61.978 15.766 27.410 1.00 19.62 C ATOM 34 O TYR A 4 62.862 14.949 27.672 1.00 19.45 O ATOM 35 CB TYR A 4 62.532 17.538 25.735 1.00 20.51 C ATOM 36 CG TYR A 4 62.113 18.930 25.306 1.00 22.09 C ATOM 37 CD1 TYR A 4 62.689 20.062 25.870 1.00 20.17 C ATOM 38 CD2 TYR A 4 61.141 19.108 24.330 1.00 21.07 C ATOM 39 CE1 TYR A 4 62.307 21.330 25.473 1.00 24.84 C ATOM 40 CE2 TYR A 4 60.755 20.372 23.926 1.00 21.00 C ATOM 41 CZ TYR A 4 61.341 21.479 24.502 1.00 23.27 C ATOM 42 OH TYR A 4 60.961 22.742 24.105 1.00 23.97 O ATOM 0 H TYR A 4 64.276 16.999 27.889 1.00 22.85 H new ATOM 0 HA TYR A 4 61.462 17.837 27.577 1.00 20.38 H new ATOM 0 HB2 TYR A 4 63.589 17.402 25.507 1.00 20.51 H new ATOM 0 HB3 TYR A 4 61.982 16.806 25.143 1.00 20.51 H new ATOM 0 HD1 TYR A 4 63.447 19.949 26.631 1.00 20.17 H new ATOM 0 HD2 TYR A 4 60.678 18.243 23.879 1.00 21.07 H new ATOM 0 HE1 TYR A 4 62.764 22.200 25.922 1.00 24.84 H new ATOM 0 HE2 TYR A 4 59.999 20.492 23.164 1.00 21.00 H new ATOM 0 HH TYR A 4 60.271 22.673 23.412 1.00 23.97 H new ATOM 52 N ILE A 5 60.698 15.437 27.271 1.00 19.64 N ATOM 53 CA ILE A 5 60.232 14.062 27.409 1.00 17.42 C ATOM 54 C ILE A 5 59.718 13.559 26.067 1.00 15.48 C ATOM 55 O ILE A 5 58.881 14.204 25.433 1.00 13.64 O ATOM 56 CB ILE A 5 59.121 13.928 28.486 1.00 17.05 C ATOM 57 CG1 ILE A 5 58.477 12.536 28.444 1.00 18.26 C ATOM 58 CG2 ILE A 5 58.058 15.005 28.312 1.00 17.24 C ATOM 59 CD1 ILE A 5 59.413 11.415 28.838 1.00 24.60 C ATOM 0 H ILE A 5 59.960 16.109 27.061 1.00 19.64 H new ATOM 0 HA ILE A 5 61.077 13.456 27.735 1.00 17.42 H new ATOM 0 HB ILE A 5 59.591 14.061 29.461 1.00 17.05 H new ATOM 0 HG12 ILE A 5 57.614 12.526 29.109 1.00 18.26 H new ATOM 0 HG13 ILE A 5 58.105 12.349 27.437 1.00 18.26 H new ATOM 0 HG21 ILE A 5 57.292 14.888 29.079 1.00 17.24 H new ATOM 0 HG22 ILE A 5 58.518 15.989 28.406 1.00 17.24 H new ATOM 0 HG23 ILE A 5 57.602 14.910 27.327 1.00 17.24 H new ATOM 0 HD11 ILE A 5 58.884 10.463 28.783 1.00 24.60 H new ATOM 0 HD12 ILE A 5 60.265 11.396 28.158 1.00 24.60 H new ATOM 0 HD13 ILE A 5 59.765 11.576 29.857 1.00 24.60 H new ATOM 71 N VAL A 6 60.215 12.404 25.639 1.00 14.88 N ATOM 72 CA VAL A 6 59.813 11.833 24.363 1.00 16.39 C ATOM 73 C VAL A 6 58.402 11.259 24.447 1.00 16.73 C ATOM 74 O VAL A 6 58.112 10.426 25.304 1.00 16.60 O ATOM 75 CB VAL A 6 60.782 10.722 23.904 1.00 14.83 C ATOM 76 CG1 VAL A 6 60.429 10.248 22.501 1.00 13.66 C ATOM 77 CG2 VAL A 6 62.226 11.202 23.961 1.00 14.68 C ATOM 0 H VAL A 6 60.895 11.847 26.157 1.00 14.88 H new ATOM 0 HA VAL A 6 59.837 12.642 23.633 1.00 16.39 H new ATOM 0 HB VAL A 6 60.679 9.879 24.588 1.00 14.83 H new ATOM 0 HG11 VAL A 6 61.123 9.465 22.196 1.00 13.66 H new ATOM 0 HG12 VAL A 6 59.413 9.854 22.495 1.00 13.66 H new ATOM 0 HG13 VAL A 6 60.498 11.085 21.806 1.00 13.66 H new ATOM 0 HG21 VAL A 6 62.889 10.401 23.633 1.00 14.68 H new ATOM 0 HG22 VAL A 6 62.349 12.065 23.307 1.00 14.68 H new ATOM 0 HG23 VAL A 6 62.476 11.483 24.984 1.00 14.68 H new ATOM 87 N GLU A 7 57.530 11.724 23.560 1.00 18.22 N ATOM 88 CA GLU A 7 56.151 11.252 23.522 1.00 19.75 C ATOM 89 C GLU A 7 55.912 10.358 22.301 1.00 19.66 C ATOM 90 O GLU A 7 54.946 9.593 22.268 1.00 19.94 O ATOM 91 CB GLU A 7 55.180 12.438 23.513 1.00 22.09 C ATOM 92 CG GLU A 7 53.784 12.091 24.012 1.00 24.09 C ATOM 93 CD GLU A 7 52.741 12.111 22.910 1.00 26.56 C ATOM 94 OE1 GLU A 7 52.178 13.195 22.645 1.00 25.20 O ATOM 95 OE2 GLU A 7 52.485 11.045 22.313 1.00 30.58 O ATOM 0 H GLU A 7 57.754 12.428 22.857 1.00 18.22 H new ATOM 0 HA GLU A 7 55.971 10.659 24.419 1.00 19.75 H new ATOM 0 HB2 GLU A 7 55.590 13.236 24.132 1.00 22.09 H new ATOM 0 HB3 GLU A 7 55.107 12.828 22.498 1.00 22.09 H new ATOM 0 HG2 GLU A 7 53.803 11.102 24.470 1.00 24.09 H new ATOM 0 HG3 GLU A 7 53.496 12.797 24.791 1.00 24.09 H new ATOM 102 N TYR A 8 56.794 10.458 21.301 1.00 20.46 N ATOM 103 CA TYR A 8 56.684 9.653 20.088 1.00 18.95 C ATOM 104 C TYR A 8 58.017 8.983 19.763 1.00 19.02 C ATOM 105 O TYR A 8 59.080 9.588 19.918 1.00 15.87 O ATOM 106 CB TYR A 8 56.240 10.521 18.906 1.00 21.85 C ATOM 107 CG TYR A 8 54.900 11.193 19.102 1.00 18.43 C ATOM 108 CD1 TYR A 8 53.720 10.559 18.733 1.00 20.37 C ATOM 109 CD2 TYR A 8 54.814 12.466 19.652 1.00 19.22 C ATOM 110 CE1 TYR A 8 52.496 11.173 18.904 1.00 20.58 C ATOM 111 CE2 TYR A 8 53.593 13.087 19.828 1.00 20.17 C ATOM 112 CZ TYR A 8 52.437 12.436 19.453 1.00 21.70 C ATOM 113 OH TYR A 8 51.217 13.051 19.626 1.00 22.64 O ATOM 0 H TYR A 8 57.593 11.092 21.312 1.00 20.46 H new ATOM 0 HA TYR A 8 55.935 8.881 20.263 1.00 18.95 H new ATOM 0 HB2 TYR A 8 56.995 11.286 18.727 1.00 21.85 H new ATOM 0 HB3 TYR A 8 56.196 9.901 18.010 1.00 21.85 H new ATOM 0 HD1 TYR A 8 53.761 9.568 18.305 1.00 20.37 H new ATOM 0 HD2 TYR A 8 55.718 12.979 19.947 1.00 19.22 H new ATOM 0 HE1 TYR A 8 51.589 10.666 18.609 1.00 20.58 H new ATOM 0 HE2 TYR A 8 53.544 14.077 20.257 1.00 20.17 H new ATOM 0 HH TYR A 8 51.116 13.321 20.563 1.00 22.64 H new ATOM 123 N ASP A 9 57.953 7.732 19.310 1.00 19.32 N ATOM 124 CA ASP A 9 59.154 6.980 18.956 1.00 19.54 C ATOM 125 C ASP A 9 59.700 7.445 17.609 1.00 19.44 C ATOM 126 O ASP A 9 58.953 7.560 16.635 1.00 22.24 O ATOM 127 CB ASP A 9 58.854 5.478 18.894 1.00 19.40 C ATOM 128 CG ASP A 9 58.530 4.885 20.253 1.00 19.30 C ATOM 129 OD1 ASP A 9 59.451 4.777 21.089 1.00 22.70 O ATOM 130 OD2 ASP A 9 57.356 4.524 20.478 1.00 22.49 O ATOM 0 H ASP A 9 57.081 7.218 19.180 1.00 19.32 H new ATOM 0 HA ASP A 9 59.902 7.162 19.728 1.00 19.54 H new ATOM 0 HB2 ASP A 9 58.015 5.308 18.219 1.00 19.40 H new ATOM 0 HB3 ASP A 9 59.714 4.958 18.472 1.00 19.40 H new ATOM 135 N TYR A 10 61.005 7.711 17.556 1.00 19.80 N ATOM 136 CA TYR A 10 61.645 8.161 16.326 1.00 19.14 C ATOM 137 C TYR A 10 62.918 7.365 16.054 1.00 19.27 C ATOM 138 O TYR A 10 63.757 7.195 16.941 1.00 19.65 O ATOM 139 CB TYR A 10 61.970 9.656 16.398 1.00 18.98 C ATOM 140 CG TYR A 10 62.401 10.239 15.070 1.00 18.21 C ATOM 141 CD1 TYR A 10 63.736 10.235 14.687 1.00 18.09 C ATOM 142 CD2 TYR A 10 61.470 10.784 14.194 1.00 16.11 C ATOM 143 CE1 TYR A 10 64.131 10.760 13.470 1.00 17.82 C ATOM 144 CE2 TYR A 10 61.856 11.310 12.977 1.00 18.99 C ATOM 145 CZ TYR A 10 63.188 11.296 12.620 1.00 19.73 C ATOM 146 OH TYR A 10 63.579 11.818 11.408 1.00 19.88 O ATOM 0 H TYR A 10 61.637 7.622 18.352 1.00 19.80 H new ATOM 0 HA TYR A 10 60.946 7.993 15.506 1.00 19.14 H new ATOM 0 HB2 TYR A 10 61.093 10.195 16.756 1.00 18.98 H new ATOM 0 HB3 TYR A 10 62.762 9.814 17.130 1.00 18.98 H new ATOM 0 HD1 TYR A 10 64.478 9.815 15.350 1.00 18.09 H new ATOM 0 HD2 TYR A 10 60.426 10.796 14.470 1.00 16.11 H new ATOM 0 HE1 TYR A 10 65.173 10.750 13.187 1.00 17.82 H new ATOM 0 HE2 TYR A 10 61.119 11.730 12.309 1.00 18.99 H new ATOM 0 HH TYR A 10 62.794 12.155 10.928 1.00 19.88 H new ATOM 156 N ASP A 11 63.050 6.882 14.822 1.00 20.91 N ATOM 157 CA ASP A 11 64.216 6.103 14.421 1.00 21.74 C ATOM 158 C ASP A 11 65.259 6.999 13.761 1.00 21.42 C ATOM 159 O ASP A 11 64.988 7.637 12.741 1.00 22.26 O ATOM 160 CB ASP A 11 63.807 4.976 13.468 1.00 22.27 C ATOM 161 CG ASP A 11 62.863 3.982 14.119 1.00 23.57 C ATOM 162 OD1 ASP A 11 63.353 3.016 14.741 1.00 26.05 O ATOM 163 OD2 ASP A 11 61.632 4.171 14.010 1.00 24.76 O ATOM 0 H ASP A 11 62.361 7.017 14.082 1.00 20.91 H new ATOM 0 HA ASP A 11 64.655 5.661 15.315 1.00 21.74 H new ATOM 0 HB2 ASP A 11 63.328 5.404 12.587 1.00 22.27 H new ATOM 0 HB3 ASP A 11 64.699 4.453 13.123 1.00 22.27 H new ATOM 168 N ALA A 12 66.451 7.046 14.357 1.00 20.92 N ATOM 169 CA ALA A 12 67.539 7.865 13.835 1.00 22.85 C ATOM 170 C ALA A 12 68.003 7.375 12.470 1.00 25.49 C ATOM 171 O ALA A 12 68.648 6.330 12.357 1.00 26.15 O ATOM 172 CB ALA A 12 68.707 7.887 14.810 1.00 20.93 C ATOM 0 H ALA A 12 66.685 6.525 15.202 1.00 20.92 H new ATOM 0 HA ALA A 12 67.158 8.879 13.716 1.00 22.85 H new ATOM 0 HB1 ALA A 12 69.509 8.503 14.403 1.00 20.93 H new ATOM 0 HB2 ALA A 12 68.378 8.302 15.763 1.00 20.93 H new ATOM 0 HB3 ALA A 12 69.072 6.871 14.964 1.00 20.93 H new ATOM 178 N VAL A 13 67.661 8.136 11.436 1.00 27.78 N ATOM 179 CA VAL A 13 68.052 7.799 10.073 0.50 28.61 C ATOM 180 C VAL A 13 69.425 8.392 9.763 1.00 29.89 C ATOM 181 O VAL A 13 70.234 7.781 9.062 1.00 31.71 O ATOM 182 CB VAL A 13 67.013 8.297 9.038 0.50 28.07 C ATOM 183 CG1 VAL A 13 66.906 9.817 9.050 0.50 26.47 C ATOM 184 CG2 VAL A 13 67.357 7.790 7.643 0.50 28.31 C ATOM 0 H VAL A 13 67.113 8.992 11.517 1.00 27.78 H new ATOM 0 HA VAL A 13 68.098 6.712 9.999 0.50 28.61 H new ATOM 0 HB VAL A 13 66.041 7.893 9.320 0.50 28.07 H new ATOM 0 HG11 VAL A 13 66.169 10.136 8.313 0.50 26.47 H new ATOM 0 HG12 VAL A 13 66.597 10.152 10.040 0.50 26.47 H new ATOM 0 HG13 VAL A 13 67.875 10.252 8.805 0.50 26.47 H new ATOM 0 HG21 VAL A 13 66.615 8.151 6.931 0.50 28.31 H new ATOM 0 HG22 VAL A 13 68.343 8.155 7.356 0.50 28.31 H new ATOM 0 HG23 VAL A 13 67.360 6.700 7.642 0.50 28.31 H new ATOM 194 N HIS A 14 69.676 9.589 10.298 1.00 31.70 N ATOM 195 CA HIS A 14 70.953 10.269 10.105 1.00 32.50 C ATOM 196 C HIS A 14 71.931 9.891 11.215 1.00 32.86 C ATOM 197 O HIS A 14 71.559 9.221 12.181 1.00 33.89 O ATOM 198 CB HIS A 14 70.756 11.790 10.085 1.00 33.28 C ATOM 199 CG HIS A 14 69.672 12.250 9.159 1.00 35.00 C ATOM 200 ND1 HIS A 14 68.461 12.741 9.603 1.00 35.25 N ATOM 201 CD2 HIS A 14 69.622 12.299 7.806 1.00 35.89 C ATOM 202 CE1 HIS A 14 67.715 13.071 8.564 1.00 36.93 C ATOM 203 NE2 HIS A 14 68.396 12.812 7.464 1.00 37.29 N ATOM 0 H HIS A 14 69.008 10.106 10.869 1.00 31.70 H new ATOM 0 HA HIS A 14 71.364 9.954 9.146 1.00 32.50 H new ATOM 0 HB2 HIS A 14 70.526 12.130 11.095 1.00 33.28 H new ATOM 0 HB3 HIS A 14 71.694 12.264 9.795 1.00 33.28 H new ATOM 0 HD2 HIS A 14 70.401 11.992 7.124 1.00 35.89 H new ATOM 0 HE1 HIS A 14 66.718 13.483 8.608 1.00 36.93 H new ATOM 0 HE2 HIS A 14 68.064 12.968 6.512 1.00 37.29 H new ATOM 212 N ASP A 15 73.180 10.328 11.075 1.00 33.94 N ATOM 213 CA ASP A 15 74.207 10.042 12.074 1.00 35.16 C ATOM 214 C ASP A 15 74.057 10.978 13.271 1.00 33.77 C ATOM 215 O ASP A 15 74.292 10.580 14.414 1.00 32.75 O ATOM 216 CB ASP A 15 75.607 10.179 11.469 1.00 38.42 C ATOM 217 CG ASP A 15 75.856 9.185 10.350 1.00 42.27 C ATOM 218 OD1 ASP A 15 76.311 8.059 10.645 1.00 43.52 O ATOM 219 OD2 ASP A 15 75.596 9.532 9.178 1.00 45.18 O ATOM 0 H ASP A 15 73.505 10.880 10.282 1.00 33.94 H new ATOM 0 HA ASP A 15 74.078 9.014 12.412 1.00 35.16 H new ATOM 0 HB2 ASP A 15 75.737 11.192 11.087 1.00 38.42 H new ATOM 0 HB3 ASP A 15 76.353 10.035 12.251 1.00 38.42 H new ATOM 224 N ASP A 16 73.660 12.221 12.997 1.00 32.66 N ATOM 225 CA ASP A 16 73.453 13.218 14.042 1.00 32.09 C ATOM 226 C ASP A 16 71.995 13.222 14.516 1.00 28.99 C ATOM 227 O ASP A 16 71.586 14.103 15.275 1.00 29.32 O ATOM 228 CB ASP A 16 73.849 14.610 13.536 1.00 33.11 C ATOM 229 CG ASP A 16 73.070 15.027 12.300 1.00 34.80 C ATOM 230 OD1 ASP A 16 71.974 15.603 12.456 1.00 35.42 O ATOM 231 OD2 ASP A 16 73.557 14.773 11.178 1.00 35.07 O ATOM 0 H ASP A 16 73.475 12.561 12.053 1.00 32.66 H new ATOM 0 HA ASP A 16 74.086 12.957 14.890 1.00 32.09 H new ATOM 0 HB2 ASP A 16 73.684 15.341 14.328 1.00 33.11 H new ATOM 0 HB3 ASP A 16 74.915 14.620 13.309 1.00 33.11 H new ATOM 236 N GLU A 17 71.215 12.227 14.072 1.00 26.24 N ATOM 237 CA GLU A 17 69.813 12.115 14.450 1.00 25.30 C ATOM 238 C GLU A 17 69.688 11.338 15.753 1.00 24.54 C ATOM 239 O GLU A 17 70.213 10.229 15.877 1.00 25.14 O ATOM 240 CB GLU A 17 69.023 11.418 13.337 1.00 23.95 C ATOM 241 CG GLU A 17 67.540 11.256 13.637 1.00 20.42 C ATOM 242 CD GLU A 17 66.848 12.573 13.936 1.00 21.71 C ATOM 243 OE1 GLU A 17 67.032 13.533 13.159 1.00 20.15 O ATOM 244 OE2 GLU A 17 66.115 12.640 14.945 1.00 21.61 O ATOM 0 H GLU A 17 71.540 11.488 13.448 1.00 26.24 H new ATOM 0 HA GLU A 17 69.402 13.114 14.596 1.00 25.30 H new ATOM 0 HB2 GLU A 17 69.136 11.987 12.414 1.00 23.95 H new ATOM 0 HB3 GLU A 17 69.457 10.434 13.160 1.00 23.95 H new ATOM 0 HG2 GLU A 17 67.053 10.781 12.786 1.00 20.42 H new ATOM 0 HG3 GLU A 17 67.418 10.586 14.488 1.00 20.42 H new ATOM 251 N LEU A 18 68.999 11.924 16.725 1.00 23.56 N ATOM 252 CA LEU A 18 68.817 11.290 18.022 1.00 20.54 C ATOM 253 C LEU A 18 67.629 10.337 17.995 1.00 19.54 C ATOM 254 O LEU A 18 66.520 10.720 17.615 1.00 17.41 O ATOM 255 CB LEU A 18 68.626 12.356 19.106 1.00 21.20 C ATOM 256 CG LEU A 18 69.085 11.959 20.513 1.00 20.22 C ATOM 257 CD1 LEU A 18 70.545 11.526 20.503 1.00 19.20 C ATOM 258 CD2 LEU A 18 68.882 13.118 21.479 1.00 19.15 C ATOM 0 H LEU A 18 68.557 12.839 16.638 1.00 23.56 H new ATOM 0 HA LEU A 18 69.711 10.710 18.253 1.00 20.54 H new ATOM 0 HB2 LEU A 18 69.167 13.254 18.807 1.00 21.20 H new ATOM 0 HB3 LEU A 18 67.569 12.620 19.149 1.00 21.20 H new ATOM 0 HG LEU A 18 68.482 11.114 20.846 1.00 20.22 H new ATOM 0 HD11 LEU A 18 70.849 11.249 21.512 1.00 19.20 H new ATOM 0 HD12 LEU A 18 70.666 10.670 19.839 1.00 19.20 H new ATOM 0 HD13 LEU A 18 71.166 12.349 20.150 1.00 19.20 H new ATOM 0 HD21 LEU A 18 69.212 12.823 22.475 1.00 19.15 H new ATOM 0 HD22 LEU A 18 69.463 13.977 21.144 1.00 19.15 H new ATOM 0 HD23 LEU A 18 67.826 13.384 21.511 1.00 19.15 H new ATOM 270 N THR A 19 67.873 9.092 18.400 1.00 20.31 N ATOM 271 CA THR A 19 66.826 8.081 18.432 1.00 20.55 C ATOM 272 C THR A 19 66.031 8.218 19.721 1.00 19.06 C ATOM 273 O THR A 19 66.357 7.590 20.731 1.00 18.35 O ATOM 274 CB THR A 19 67.402 6.650 18.341 1.00 20.16 C ATOM 275 OG1 THR A 19 68.328 6.554 17.254 1.00 22.84 O ATOM 276 CG2 THR A 19 66.288 5.630 18.148 1.00 22.41 C ATOM 0 H THR A 19 68.787 8.762 18.710 1.00 20.31 H new ATOM 0 HA THR A 19 66.183 8.241 17.566 1.00 20.55 H new ATOM 0 HB THR A 19 67.919 6.436 19.276 1.00 20.16 H new ATOM 0 HG1 THR A 19 68.686 5.643 17.209 1.00 22.84 H new ATOM 0 HG21 THR A 19 66.717 4.630 18.087 1.00 22.41 H new ATOM 0 HG22 THR A 19 65.600 5.679 18.992 1.00 22.41 H new ATOM 0 HG23 THR A 19 65.748 5.850 17.227 1.00 22.41 H new ATOM 284 N ILE A 20 64.994 9.051 19.694 1.00 19.37 N ATOM 285 CA ILE A 20 64.170 9.280 20.873 1.00 16.93 C ATOM 286 C ILE A 20 63.018 8.279 20.946 1.00 15.57 C ATOM 287 O ILE A 20 62.305 8.066 19.966 1.00 15.48 O ATOM 288 CB ILE A 20 63.600 10.718 20.888 1.00 18.29 C ATOM 289 CG1 ILE A 20 62.743 10.981 19.644 1.00 16.61 C ATOM 290 CG2 ILE A 20 64.733 11.733 20.979 1.00 15.26 C ATOM 291 CD1 ILE A 20 62.118 12.357 19.615 1.00 24.60 C ATOM 0 H ILE A 20 64.706 9.577 18.869 1.00 19.37 H new ATOM 0 HA ILE A 20 64.814 9.145 21.742 1.00 16.93 H new ATOM 0 HB ILE A 20 62.962 10.824 21.766 1.00 18.29 H new ATOM 0 HG12 ILE A 20 63.361 10.854 18.755 1.00 16.61 H new ATOM 0 HG13 ILE A 20 61.953 10.232 19.593 1.00 16.61 H new ATOM 0 HG21 ILE A 20 64.319 12.741 20.989 1.00 15.26 H new ATOM 0 HG22 ILE A 20 65.300 11.565 21.895 1.00 15.26 H new ATOM 0 HG23 ILE A 20 65.393 11.620 20.119 1.00 15.26 H new ATOM 0 HD11 ILE A 20 61.527 12.469 18.706 1.00 24.60 H new ATOM 0 HD12 ILE A 20 61.473 12.482 20.485 1.00 24.60 H new ATOM 0 HD13 ILE A 20 62.903 13.113 19.633 1.00 24.60 H new ATOM 303 N ARG A 21 62.849 7.663 22.114 1.00 15.18 N ATOM 304 CA ARG A 21 61.785 6.686 22.322 1.00 17.91 C ATOM 305 C ARG A 21 60.819 7.183 23.391 1.00 18.31 C ATOM 306 O ARG A 21 61.243 7.736 24.406 1.00 16.91 O ATOM 307 CB ARG A 21 62.372 5.329 22.733 1.00 17.50 C ATOM 308 CG ARG A 21 63.580 4.897 21.906 1.00 16.96 C ATOM 309 CD ARG A 21 63.277 4.877 20.414 1.00 15.75 C ATOM 310 NE ARG A 21 62.261 3.883 20.062 1.00 17.98 N ATOM 311 CZ ARG A 21 61.766 3.728 18.831 1.00 18.72 C ATOM 312 NH1 ARG A 21 62.183 4.499 17.831 1.00 15.98 N ATOM 313 NH2 ARG A 21 60.846 2.796 18.602 1.00 18.32 N ATOM 0 H ARG A 21 63.437 7.824 22.932 1.00 15.18 H new ATOM 0 HA ARG A 21 61.243 6.560 21.385 1.00 17.91 H new ATOM 0 HB2 ARG A 21 62.661 5.373 23.783 1.00 17.50 H new ATOM 0 HB3 ARG A 21 61.596 4.568 22.648 1.00 17.50 H new ATOM 0 HG2 ARG A 21 64.411 5.576 22.097 1.00 16.96 H new ATOM 0 HG3 ARG A 21 63.900 3.905 22.224 1.00 16.96 H new ATOM 0 HD2 ARG A 21 62.938 5.865 20.102 1.00 15.75 H new ATOM 0 HD3 ARG A 21 64.194 4.666 19.863 1.00 15.75 H new ATOM 0 HE ARG A 21 61.911 3.273 20.800 1.00 17.98 H new ATOM 0 HH11 ARG A 21 62.887 5.217 18.000 1.00 15.98 H new ATOM 0 HH12 ARG A 21 61.798 4.372 16.895 1.00 15.98 H new ATOM 0 HH21 ARG A 21 60.521 2.202 19.365 1.00 18.32 H new ATOM 0 HH22 ARG A 21 60.466 2.675 17.663 1.00 18.32 H new ATOM 327 N VAL A 22 59.519 6.981 23.157 1.00 17.47 N ATOM 328 CA VAL A 22 58.481 7.421 24.092 1.00 15.85 C ATOM 329 C VAL A 22 58.832 7.068 25.536 1.00 16.32 C ATOM 330 O VAL A 22 59.053 5.900 25.864 1.00 16.12 O ATOM 331 CB VAL A 22 57.106 6.805 23.750 1.00 14.89 C ATOM 332 CG1 VAL A 22 56.030 7.329 24.692 1.00 8.42 C ATOM 333 CG2 VAL A 22 56.731 7.086 22.303 1.00 16.01 C ATOM 0 H VAL A 22 59.160 6.514 22.324 1.00 17.47 H new ATOM 0 HA VAL A 22 58.424 8.505 23.992 1.00 15.85 H new ATOM 0 HB VAL A 22 57.179 5.725 23.880 1.00 14.89 H new ATOM 0 HG11 VAL A 22 55.070 6.882 24.433 1.00 8.42 H new ATOM 0 HG12 VAL A 22 56.287 7.068 25.719 1.00 8.42 H new ATOM 0 HG13 VAL A 22 55.962 8.413 24.600 1.00 8.42 H new ATOM 0 HG21 VAL A 22 55.759 6.642 22.086 1.00 16.01 H new ATOM 0 HG22 VAL A 22 56.682 8.163 22.142 1.00 16.01 H new ATOM 0 HG23 VAL A 22 57.482 6.654 21.642 1.00 16.01 H new ATOM 343 N GLY A 23 58.883 8.090 26.390 1.00 15.88 N ATOM 344 CA GLY A 23 59.198 7.880 27.790 1.00 17.17 C ATOM 345 C GLY A 23 60.601 8.325 28.171 1.00 18.82 C ATOM 346 O GLY A 23 60.880 8.534 29.352 1.00 17.98 O ATOM 0 H GLY A 23 58.711 9.062 26.133 1.00 15.88 H new ATOM 0 HA2 GLY A 23 58.476 8.421 28.401 1.00 17.17 H new ATOM 0 HA3 GLY A 23 59.085 6.822 28.024 1.00 17.17 H new ATOM 350 N GLU A 24 61.487 8.473 27.181 1.00 16.59 N ATOM 351 CA GLU A 24 62.867 8.878 27.443 1.00 15.26 C ATOM 352 C GLU A 24 62.987 10.372 27.726 1.00 15.26 C ATOM 353 O GLU A 24 62.239 11.186 27.183 1.00 13.41 O ATOM 354 CB GLU A 24 63.761 8.509 26.254 1.00 15.08 C ATOM 355 CG GLU A 24 63.984 7.014 26.093 1.00 12.07 C ATOM 356 CD GLU A 24 64.833 6.427 27.204 1.00 14.29 C ATOM 357 OE1 GLU A 24 66.075 6.454 27.080 1.00 15.06 O ATOM 358 OE2 GLU A 24 64.255 5.941 28.199 1.00 14.81 O ATOM 0 H GLU A 24 61.272 8.319 26.196 1.00 16.59 H new ATOM 0 HA GLU A 24 63.194 8.343 28.335 1.00 15.26 H new ATOM 0 HB2 GLU A 24 63.314 8.900 25.340 1.00 15.08 H new ATOM 0 HB3 GLU A 24 64.727 9.000 26.372 1.00 15.08 H new ATOM 0 HG2 GLU A 24 63.019 6.507 26.072 1.00 12.07 H new ATOM 0 HG3 GLU A 24 64.465 6.824 25.134 1.00 12.07 H new ATOM 365 N ILE A 25 63.946 10.717 28.582 1.00 15.57 N ATOM 366 CA ILE A 25 64.207 12.105 28.943 1.00 16.69 C ATOM 367 C ILE A 25 65.508 12.572 28.301 1.00 17.86 C ATOM 368 O ILE A 25 66.564 11.971 28.514 1.00 19.05 O ATOM 369 CB ILE A 25 64.297 12.288 30.476 1.00 17.79 C ATOM 370 CG1 ILE A 25 63.005 11.814 31.154 1.00 17.49 C ATOM 371 CG2 ILE A 25 64.584 13.744 30.826 1.00 15.26 C ATOM 372 CD1 ILE A 25 61.778 12.610 30.761 1.00 24.60 C ATOM 0 H ILE A 25 64.560 10.045 29.042 1.00 15.57 H new ATOM 0 HA ILE A 25 63.374 12.705 28.576 1.00 16.69 H new ATOM 0 HB ILE A 25 65.121 11.678 30.846 1.00 17.79 H new ATOM 0 HG12 ILE A 25 62.840 10.765 30.907 1.00 17.49 H new ATOM 0 HG13 ILE A 25 63.132 11.871 32.235 1.00 17.49 H new ATOM 0 HG21 ILE A 25 64.644 13.853 31.909 1.00 15.26 H new ATOM 0 HG22 ILE A 25 65.531 14.046 30.378 1.00 15.26 H new ATOM 0 HG23 ILE A 25 63.783 14.375 30.441 1.00 15.26 H new ATOM 0 HD11 ILE A 25 60.906 12.215 31.281 1.00 24.60 H new ATOM 0 HD12 ILE A 25 61.920 13.656 31.034 1.00 24.60 H new ATOM 0 HD13 ILE A 25 61.624 12.533 29.685 1.00 24.60 H new ATOM 384 N ILE A 26 65.429 13.643 27.517 1.00 17.28 N ATOM 385 CA ILE A 26 66.604 14.177 26.839 0.50 16.69 C ATOM 386 C ILE A 26 67.227 15.304 27.656 1.00 17.06 C ATOM 387 O ILE A 26 66.558 16.283 27.993 1.00 18.52 O ATOM 388 CB ILE A 26 66.266 14.679 25.423 0.50 17.01 C ATOM 389 CG1 ILE A 26 65.495 13.602 24.651 0.50 16.38 C ATOM 390 CG2 ILE A 26 67.542 15.060 24.683 0.50 14.54 C ATOM 391 CD1 ILE A 26 65.007 14.056 23.295 1.00 24.60 C ATOM 0 H ILE A 26 64.566 14.156 27.336 1.00 17.28 H new ATOM 0 HA ILE A 26 67.323 13.363 26.744 0.50 16.69 H new ATOM 0 HB ILE A 26 65.636 15.565 25.502 0.50 17.01 H new ATOM 0 HG12 ILE A 26 66.137 12.730 24.523 0.50 16.38 H new ATOM 0 HG13 ILE A 26 64.640 13.283 25.247 0.50 16.38 H new ATOM 0 HG21 ILE A 26 67.291 15.413 23.683 0.50 14.54 H new ATOM 0 HG22 ILE A 26 68.057 15.851 25.229 0.50 14.54 H new ATOM 0 HG23 ILE A 26 68.193 14.189 24.607 0.50 14.54 H new ATOM 0 HD11 ILE A 26 64.471 13.240 22.809 1.00 24.60 H new ATOM 0 HD12 ILE A 26 64.339 14.908 23.416 1.00 24.60 H new ATOM 0 HD13 ILE A 26 65.859 14.347 22.680 1.00 24.60 H new ATOM 403 N ARG A 27 68.511 15.153 27.970 1.00 18.57 N ATOM 404 CA ARG A 27 69.227 16.137 28.776 1.00 19.72 C ATOM 405 C ARG A 27 69.552 17.401 27.989 1.00 20.30 C ATOM 406 O ARG A 27 70.105 17.337 26.893 1.00 20.29 O ATOM 407 CB ARG A 27 70.518 15.530 29.338 1.00 20.00 C ATOM 408 CG ARG A 27 70.305 14.658 30.570 1.00 20.63 C ATOM 409 CD ARG A 27 69.553 13.373 30.242 1.00 21.55 C ATOM 410 NE ARG A 27 70.326 12.484 29.373 1.00 19.42 N ATOM 411 CZ ARG A 27 70.018 11.205 29.148 1.00 19.92 C ATOM 412 NH1 ARG A 27 68.948 10.655 29.718 1.00 18.94 N ATOM 413 NH2 ARG A 27 70.784 10.471 28.347 1.00 20.17 N ATOM 0 H ARG A 27 69.078 14.357 27.678 1.00 18.57 H new ATOM 0 HA ARG A 27 68.567 16.418 29.597 1.00 19.72 H new ATOM 0 HB2 ARG A 27 70.996 14.933 28.561 1.00 20.00 H new ATOM 0 HB3 ARG A 27 71.207 16.336 29.590 1.00 20.00 H new ATOM 0 HG2 ARG A 27 71.271 14.410 31.009 1.00 20.63 H new ATOM 0 HG3 ARG A 27 69.749 15.221 31.320 1.00 20.63 H new ATOM 0 HD2 ARG A 27 69.309 12.851 31.167 1.00 21.55 H new ATOM 0 HD3 ARG A 27 68.609 13.621 29.757 1.00 21.55 H new ATOM 0 HE ARG A 27 71.151 12.866 28.911 1.00 19.42 H new ATOM 0 HH11 ARG A 27 68.355 11.212 30.333 1.00 18.94 H new ATOM 0 HH12 ARG A 27 68.721 9.677 29.540 1.00 18.94 H new ATOM 0 HH21 ARG A 27 71.605 10.885 27.906 1.00 20.17 H new ATOM 0 HH22 ARG A 27 70.551 9.493 28.173 1.00 20.17 H new ATOM 427 N ASN A 28 69.185 18.549 28.561 1.00 21.66 N ATOM 428 CA ASN A 28 69.447 19.855 27.956 1.00 22.30 C ATOM 429 C ASN A 28 68.988 19.925 26.500 1.00 24.05 C ATOM 430 O ASN A 28 69.805 19.946 25.576 1.00 22.02 O ATOM 431 CB ASN A 28 70.938 20.199 28.067 1.00 22.17 C ATOM 432 CG ASN A 28 71.236 21.637 27.682 1.00 19.53 C ATOM 433 OD1 ASN A 28 71.564 21.929 26.532 1.00 22.18 O ATOM 434 ND2 ASN A 28 71.122 22.546 28.647 1.00 17.78 N ATOM 0 H ASN A 28 68.698 18.599 29.456 1.00 21.66 H new ATOM 0 HA ASN A 28 68.864 20.592 28.509 1.00 22.30 H new ATOM 0 HB2 ASN A 28 71.272 20.024 29.090 1.00 22.17 H new ATOM 0 HB3 ASN A 28 71.510 19.529 27.425 1.00 22.17 H new ATOM 0 HD21 ASN A 28 71.309 23.528 28.447 1.00 17.78 H new ATOM 0 HD22 ASN A 28 70.847 22.260 29.587 1.00 17.78 H new ATOM 441 N VAL A 29 67.673 19.942 26.304 1.00 24.67 N ATOM 442 CA VAL A 29 67.099 20.034 24.967 1.00 24.71 C ATOM 443 C VAL A 29 66.947 21.493 24.543 1.00 26.15 C ATOM 444 O VAL A 29 66.083 22.213 25.048 1.00 24.81 O ATOM 445 CB VAL A 29 65.732 19.326 24.886 1.00 24.09 C ATOM 446 CG1 VAL A 29 65.077 19.558 23.531 1.00 22.48 C ATOM 447 CG2 VAL A 29 65.893 17.841 25.159 1.00 22.75 C ATOM 0 H VAL A 29 66.985 19.893 27.055 1.00 24.67 H new ATOM 0 HA VAL A 29 67.786 19.532 24.286 1.00 24.71 H new ATOM 0 HB VAL A 29 65.079 19.751 25.649 1.00 24.09 H new ATOM 0 HG11 VAL A 29 64.114 19.048 23.500 1.00 22.48 H new ATOM 0 HG12 VAL A 29 64.927 20.627 23.378 1.00 22.48 H new ATOM 0 HG13 VAL A 29 65.721 19.166 22.744 1.00 22.48 H new ATOM 0 HG21 VAL A 29 64.920 17.352 25.099 1.00 22.75 H new ATOM 0 HG22 VAL A 29 66.564 17.406 24.419 1.00 22.75 H new ATOM 0 HG23 VAL A 29 66.310 17.697 26.156 1.00 22.75 H new ATOM 457 N LYS A 30 67.800 21.916 23.616 1.00 28.66 N ATOM 458 CA LYS A 30 67.784 23.283 23.111 1.00 30.94 C ATOM 459 C LYS A 30 67.145 23.333 21.726 1.00 30.52 C ATOM 460 O LYS A 30 67.110 22.330 21.012 1.00 28.63 O ATOM 461 CB LYS A 30 69.214 23.836 23.055 1.00 32.04 C ATOM 462 CG LYS A 30 69.312 25.249 22.498 1.00 36.67 C ATOM 463 CD LYS A 30 70.756 25.725 22.436 1.00 40.00 C ATOM 464 CE LYS A 30 70.868 27.092 21.777 1.00 40.13 C ATOM 465 NZ LYS A 30 70.494 27.052 20.334 1.00 42.51 N ATOM 0 H LYS A 30 68.517 21.325 23.196 1.00 28.66 H new ATOM 0 HA LYS A 30 67.191 23.899 23.787 1.00 30.94 H new ATOM 0 HB2 LYS A 30 69.637 23.823 24.060 1.00 32.04 H new ATOM 0 HB3 LYS A 30 69.825 23.172 22.443 1.00 32.04 H new ATOM 0 HG2 LYS A 30 68.875 25.279 21.500 1.00 36.67 H new ATOM 0 HG3 LYS A 30 68.730 25.928 23.121 1.00 36.67 H new ATOM 0 HD2 LYS A 30 71.168 25.772 23.444 1.00 40.00 H new ATOM 0 HD3 LYS A 30 71.354 25.003 21.881 1.00 40.00 H new ATOM 0 HE2 LYS A 30 70.223 27.799 22.299 1.00 40.13 H new ATOM 0 HE3 LYS A 30 71.890 27.459 21.876 1.00 40.13 H new ATOM 0 HZ1 LYS A 30 70.744 27.956 19.885 1.00 42.51 H new ATOM 0 HZ2 LYS A 30 71.007 26.279 19.864 1.00 42.51 H new ATOM 0 HZ3 LYS A 30 69.470 26.893 20.245 1.00 42.51 H new ATOM 479 N LYS A 31 66.641 24.505 21.352 1.00 31.66 N ATOM 480 CA LYS A 31 66.016 24.682 20.048 1.00 32.46 C ATOM 481 C LYS A 31 67.064 25.095 19.020 1.00 33.31 C ATOM 482 O LYS A 31 67.838 26.027 19.250 1.00 32.74 O ATOM 483 CB LYS A 31 64.898 25.726 20.123 1.00 31.76 C ATOM 484 CG LYS A 31 63.709 25.280 20.962 0.01 32.47 C ATOM 485 CD LYS A 31 62.664 26.379 21.083 0.01 32.64 C ATOM 486 CE LYS A 31 61.429 25.898 21.833 0.01 32.79 C ATOM 487 NZ LYS A 31 61.732 25.546 23.250 0.01 32.84 N ATOM 0 H LYS A 31 66.654 25.344 21.933 1.00 31.66 H new ATOM 0 HA LYS A 31 65.575 23.734 19.740 1.00 32.46 H new ATOM 0 HB2 LYS A 31 65.301 26.649 20.539 1.00 31.76 H new ATOM 0 HB3 LYS A 31 64.556 25.954 19.114 1.00 31.76 H new ATOM 0 HG2 LYS A 31 63.257 24.396 20.512 0.01 32.47 H new ATOM 0 HG3 LYS A 31 64.052 24.992 21.956 0.01 32.47 H new ATOM 0 HD2 LYS A 31 63.095 27.236 21.601 0.01 32.64 H new ATOM 0 HD3 LYS A 31 62.377 26.720 20.088 0.01 32.64 H new ATOM 0 HE2 LYS A 31 60.666 26.676 21.809 0.01 32.79 H new ATOM 0 HE3 LYS A 31 61.014 25.028 21.325 0.01 32.79 H new ATOM 0 HZ1 LYS A 31 60.863 25.224 23.721 0.01 32.84 H new ATOM 0 HZ2 LYS A 31 62.441 24.786 23.275 0.01 32.84 H new ATOM 0 HZ3 LYS A 31 62.104 26.382 23.744 0.01 32.84 H new ATOM 501 N LEU A 32 67.086 24.398 17.886 1.00 34.55 N ATOM 502 CA LEU A 32 68.055 24.680 16.831 1.00 36.08 C ATOM 503 C LEU A 32 67.499 25.690 15.833 1.00 37.71 C ATOM 504 O LEU A 32 66.355 26.134 15.954 1.00 36.52 O ATOM 505 CB LEU A 32 68.443 23.384 16.110 1.00 35.96 C ATOM 506 CG LEU A 32 69.162 22.346 16.978 1.00 33.75 C ATOM 507 CD1 LEU A 32 69.297 21.026 16.233 1.00 31.94 C ATOM 508 CD2 LEU A 32 70.531 22.864 17.400 1.00 31.78 C ATOM 0 H LEU A 32 66.444 23.634 17.675 1.00 34.55 H new ATOM 0 HA LEU A 32 68.944 25.111 17.292 1.00 36.08 H new ATOM 0 HB2 LEU A 32 67.540 22.930 15.701 1.00 35.96 H new ATOM 0 HB3 LEU A 32 69.084 23.635 15.265 1.00 35.96 H new ATOM 0 HG LEU A 32 68.566 22.173 17.874 1.00 33.75 H new ATOM 0 HD11 LEU A 32 69.810 20.302 16.866 1.00 31.94 H new ATOM 0 HD12 LEU A 32 68.306 20.649 15.979 1.00 31.94 H new ATOM 0 HD13 LEU A 32 69.871 21.181 15.320 1.00 31.94 H new ATOM 0 HD21 LEU A 32 71.029 22.115 18.016 1.00 31.78 H new ATOM 0 HD22 LEU A 32 71.133 23.064 16.514 1.00 31.78 H new ATOM 0 HD23 LEU A 32 70.411 23.784 17.973 1.00 31.78 H new ATOM 520 N GLN A 33 68.315 26.049 14.842 1.00 38.97 N ATOM 521 CA GLN A 33 67.900 27.000 13.815 1.00 39.78 C ATOM 522 C GLN A 33 67.031 26.318 12.750 1.00 39.42 C ATOM 523 O GLN A 33 66.592 26.960 11.794 1.00 39.85 O ATOM 524 CB GLN A 33 69.129 27.656 13.170 0.60 40.32 C ATOM 525 CG GLN A 33 68.796 28.794 12.213 0.60 40.38 C ATOM 526 CD GLN A 33 67.985 29.901 12.867 0.60 39.93 C ATOM 527 OE1 GLN A 33 68.125 30.169 14.062 0.60 39.55 O ATOM 528 NE2 GLN A 33 67.128 30.551 12.085 0.60 38.18 N ATOM 0 H GLN A 33 69.265 25.695 14.730 1.00 38.97 H new ATOM 0 HA GLN A 33 67.299 27.775 14.291 1.00 39.78 H new ATOM 0 HB2 GLN A 33 69.780 28.036 13.957 0.60 40.32 H new ATOM 0 HB3 GLN A 33 69.693 26.895 12.630 0.60 40.32 H new ATOM 0 HG2 GLN A 33 69.722 29.213 11.819 0.60 40.38 H new ATOM 0 HG3 GLN A 33 68.240 28.397 11.364 0.60 40.38 H new ATOM 0 HE21 GLN A 33 67.043 30.298 11.101 0.60 38.18 H new ATOM 0 HE22 GLN A 33 66.556 31.303 12.470 0.60 38.18 H new ATOM 537 N GLU A 34 66.777 25.016 12.924 1.00 38.54 N ATOM 538 CA GLU A 34 65.956 24.263 11.992 1.00 36.53 C ATOM 539 C GLU A 34 64.592 23.999 12.616 1.00 35.34 C ATOM 540 O GLU A 34 64.498 23.400 13.690 1.00 34.99 O ATOM 541 CB GLU A 34 66.632 22.940 11.615 1.00 37.22 C ATOM 542 CG GLU A 34 68.078 23.087 11.158 0.50 36.82 C ATOM 543 CD GLU A 34 69.052 23.229 12.316 0.50 36.76 C ATOM 544 OE1 GLU A 34 69.245 22.239 13.053 0.50 37.76 O ATOM 545 OE2 GLU A 34 69.618 24.329 12.486 0.50 36.04 O ATOM 0 H GLU A 34 67.133 24.468 13.707 1.00 38.54 H new ATOM 0 HA GLU A 34 65.831 24.849 11.081 1.00 36.53 H new ATOM 0 HB2 GLU A 34 66.600 22.271 12.475 1.00 37.22 H new ATOM 0 HB3 GLU A 34 66.058 22.465 10.820 1.00 37.22 H new ATOM 0 HG2 GLU A 34 68.355 22.218 10.561 0.50 36.82 H new ATOM 0 HG3 GLU A 34 68.162 23.959 10.510 0.50 36.82 H new ATOM 552 N GLU A 35 63.540 24.454 11.941 1.00 33.27 N ATOM 553 CA GLU A 35 62.180 24.277 12.439 0.50 31.92 C ATOM 554 C GLU A 35 61.845 22.794 12.557 1.00 30.55 C ATOM 555 O GLU A 35 61.822 22.072 11.559 1.00 32.49 O ATOM 556 CB GLU A 35 61.175 24.981 11.518 0.50 32.23 C ATOM 557 CG GLU A 35 59.801 25.192 12.143 0.50 32.26 C ATOM 558 CD GLU A 35 59.058 23.892 12.398 0.50 31.89 C ATOM 559 OE1 GLU A 35 58.669 23.226 11.416 0.50 31.03 O ATOM 560 OE2 GLU A 35 58.865 23.542 13.582 0.50 31.33 O ATOM 0 H GLU A 35 63.603 24.947 11.050 1.00 33.27 H new ATOM 0 HA GLU A 35 62.114 24.727 13.430 0.50 31.92 H new ATOM 0 HB2 GLU A 35 61.582 25.949 11.226 0.50 32.23 H new ATOM 0 HB3 GLU A 35 61.061 24.395 10.606 0.50 32.23 H new ATOM 0 HG2 GLU A 35 59.915 25.729 13.084 0.50 32.26 H new ATOM 0 HG3 GLU A 35 59.202 25.823 11.486 0.50 32.26 H new ATOM 567 N GLY A 36 61.589 22.348 13.786 1.00 28.28 N ATOM 568 CA GLY A 36 61.264 20.954 14.020 1.00 24.78 C ATOM 569 C GLY A 36 62.465 20.128 14.446 1.00 23.68 C ATOM 570 O GLY A 36 62.398 18.899 14.451 1.00 23.56 O ATOM 0 H GLY A 36 61.602 22.930 14.623 1.00 28.28 H new ATOM 0 HA2 GLY A 36 60.495 20.890 14.790 1.00 24.78 H new ATOM 0 HA3 GLY A 36 60.841 20.528 13.110 1.00 24.78 H new ATOM 574 N TRP A 37 63.565 20.797 14.798 1.00 23.14 N ATOM 575 CA TRP A 37 64.771 20.105 15.228 1.00 20.93 C ATOM 576 C TRP A 37 65.298 20.683 16.533 1.00 21.08 C ATOM 577 O TRP A 37 65.468 21.897 16.671 1.00 21.30 O ATOM 578 CB TRP A 37 65.847 20.169 14.141 1.00 20.40 C ATOM 579 CG TRP A 37 65.518 19.336 12.938 1.00 20.90 C ATOM 580 CD1 TRP A 37 65.423 19.762 11.646 1.00 20.96 C ATOM 581 CD2 TRP A 37 65.231 17.933 12.920 1.00 19.62 C ATOM 582 NE1 TRP A 37 65.100 18.710 10.825 1.00 18.59 N ATOM 583 CE2 TRP A 37 64.976 17.576 11.584 1.00 19.33 C ATOM 584 CE3 TRP A 37 65.168 16.943 13.906 1.00 18.84 C ATOM 585 CZ2 TRP A 37 64.661 16.273 11.208 1.00 17.78 C ATOM 586 CZ3 TRP A 37 64.855 15.650 13.532 1.00 19.33 C ATOM 587 CH2 TRP A 37 64.606 15.325 12.193 1.00 21.05 C ATOM 0 H TRP A 37 63.641 21.814 14.792 1.00 23.14 H new ATOM 0 HA TRP A 37 64.514 19.060 15.400 1.00 20.93 H new ATOM 0 HB2 TRP A 37 65.982 21.206 13.832 1.00 20.40 H new ATOM 0 HB3 TRP A 37 66.797 19.835 14.558 1.00 20.40 H new ATOM 0 HD1 TRP A 37 65.579 20.779 11.317 1.00 20.96 H new ATOM 0 HE1 TRP A 37 64.973 18.764 9.814 1.00 18.59 H new ATOM 0 HE3 TRP A 37 65.360 17.185 14.941 1.00 18.84 H new ATOM 0 HZ2 TRP A 37 64.467 16.020 10.176 1.00 17.78 H new ATOM 0 HZ3 TRP A 37 64.802 14.878 14.285 1.00 19.33 H new ATOM 0 HH2 TRP A 37 64.366 14.305 11.932 1.00 21.05 H new ATOM 598 N LEU A 38 65.556 19.793 17.484 1.00 21.83 N ATOM 599 CA LEU A 38 66.070 20.177 18.791 1.00 21.88 C ATOM 600 C LEU A 38 67.418 19.508 19.032 1.00 22.72 C ATOM 601 O LEU A 38 67.787 18.583 18.317 1.00 23.91 O ATOM 602 CB LEU A 38 65.081 19.783 19.893 1.00 21.21 C ATOM 603 CG LEU A 38 63.684 20.403 19.771 1.00 20.69 C ATOM 604 CD1 LEU A 38 62.763 19.858 20.850 1.00 18.49 C ATOM 605 CD2 LEU A 38 63.764 21.920 19.853 1.00 18.88 C ATOM 0 H LEU A 38 65.415 18.789 17.371 1.00 21.83 H new ATOM 0 HA LEU A 38 66.199 21.259 18.814 1.00 21.88 H new ATOM 0 HB2 LEU A 38 64.980 18.698 19.897 1.00 21.21 H new ATOM 0 HB3 LEU A 38 65.504 20.067 20.857 1.00 21.21 H new ATOM 0 HG LEU A 38 63.272 20.133 18.799 1.00 20.69 H new ATOM 0 HD11 LEU A 38 61.776 20.309 20.748 1.00 18.49 H new ATOM 0 HD12 LEU A 38 62.680 18.776 20.745 1.00 18.49 H new ATOM 0 HD13 LEU A 38 63.171 20.097 21.832 1.00 18.49 H new ATOM 0 HD21 LEU A 38 62.763 22.342 19.765 1.00 18.88 H new ATOM 0 HD22 LEU A 38 64.197 22.210 20.810 1.00 18.88 H new ATOM 0 HD23 LEU A 38 64.389 22.296 19.043 1.00 18.88 H new ATOM 617 N GLU A 39 68.148 19.982 20.033 1.00 21.79 N ATOM 618 CA GLU A 39 69.457 19.418 20.359 1.00 23.86 C ATOM 619 C GLU A 39 69.526 19.026 21.832 1.00 21.01 C ATOM 620 O GLU A 39 69.346 19.867 22.713 1.00 19.88 O ATOM 621 CB GLU A 39 70.562 20.425 20.030 1.00 25.80 C ATOM 622 CG GLU A 39 71.964 19.915 20.327 1.00 33.40 C ATOM 623 CD GLU A 39 73.035 20.945 20.026 1.00 39.01 C ATOM 624 OE1 GLU A 39 73.483 21.014 18.862 1.00 43.40 O ATOM 625 OE2 GLU A 39 73.427 21.684 20.953 1.00 41.93 O ATOM 0 H GLU A 39 67.859 20.754 20.634 1.00 21.79 H new ATOM 0 HA GLU A 39 69.603 18.521 19.757 1.00 23.86 H new ATOM 0 HB2 GLU A 39 70.497 20.690 18.975 1.00 25.80 H new ATOM 0 HB3 GLU A 39 70.389 21.339 20.599 1.00 25.80 H new ATOM 0 HG2 GLU A 39 72.027 19.627 21.376 1.00 33.40 H new ATOM 0 HG3 GLU A 39 72.153 19.017 19.738 1.00 33.40 H new ATOM 632 N GLY A 40 69.799 17.748 22.093 1.00 18.22 N ATOM 633 CA GLY A 40 69.875 17.275 23.464 1.00 20.08 C ATOM 634 C GLY A 40 70.703 16.017 23.622 1.00 18.70 C ATOM 635 O GLY A 40 71.006 15.331 22.644 1.00 18.64 O ATOM 0 H GLY A 40 69.968 17.036 21.382 1.00 18.22 H new ATOM 0 HA2 GLY A 40 70.299 18.061 24.089 1.00 20.08 H new ATOM 0 HA3 GLY A 40 68.866 17.086 23.831 1.00 20.08 H new ATOM 639 N GLU A 41 71.065 15.719 24.868 1.00 18.96 N ATOM 640 CA GLU A 41 71.862 14.540 25.183 1.00 20.96 C ATOM 641 C GLU A 41 70.961 13.369 25.562 1.00 20.09 C ATOM 642 O GLU A 41 70.383 13.345 26.649 1.00 19.27 O ATOM 643 CB GLU A 41 72.841 14.835 26.326 1.00 22.24 C ATOM 644 CG GLU A 41 73.706 16.070 26.104 1.00 26.27 C ATOM 645 CD GLU A 41 73.042 17.351 26.577 1.00 30.19 C ATOM 646 OE1 GLU A 41 72.974 17.565 27.806 1.00 32.10 O ATOM 647 OE2 GLU A 41 72.595 18.141 25.719 1.00 29.05 O ATOM 0 H GLU A 41 70.816 16.284 25.680 1.00 18.96 H new ATOM 0 HA GLU A 41 72.433 14.273 24.294 1.00 20.96 H new ATOM 0 HB2 GLU A 41 72.276 14.962 27.250 1.00 22.24 H new ATOM 0 HB3 GLU A 41 73.490 13.971 26.466 1.00 22.24 H new ATOM 0 HG2 GLU A 41 74.653 15.943 26.629 1.00 26.27 H new ATOM 0 HG3 GLU A 41 73.939 16.158 25.043 1.00 26.27 H new ATOM 654 N LEU A 42 70.841 12.409 24.652 1.00 19.56 N ATOM 655 CA LEU A 42 70.021 11.228 24.885 1.00 21.20 C ATOM 656 C LEU A 42 70.805 9.970 24.554 1.00 22.89 C ATOM 657 O LEU A 42 71.511 9.915 23.544 1.00 22.08 O ATOM 658 CB LEU A 42 68.733 11.275 24.059 1.00 18.58 C ATOM 659 CG LEU A 42 67.734 10.150 24.352 1.00 15.91 C ATOM 660 CD1 LEU A 42 67.220 10.246 25.782 1.00 15.01 C ATOM 661 CD2 LEU A 42 66.578 10.193 23.365 1.00 17.47 C ATOM 0 H LEU A 42 71.303 12.427 23.743 1.00 19.56 H new ATOM 0 HA LEU A 42 69.748 11.213 25.940 1.00 21.20 H new ATOM 0 HB2 LEU A 42 68.241 12.232 24.235 1.00 18.58 H new ATOM 0 HB3 LEU A 42 68.996 11.241 23.002 1.00 18.58 H new ATOM 0 HG LEU A 42 68.249 9.196 24.238 1.00 15.91 H new ATOM 0 HD11 LEU A 42 66.512 9.438 25.969 1.00 15.01 H new ATOM 0 HD12 LEU A 42 68.057 10.163 26.476 1.00 15.01 H new ATOM 0 HD13 LEU A 42 66.722 11.205 25.926 1.00 15.01 H new ATOM 0 HD21 LEU A 42 65.879 9.387 23.588 1.00 17.47 H new ATOM 0 HD22 LEU A 42 66.065 11.151 23.447 1.00 17.47 H new ATOM 0 HD23 LEU A 42 66.960 10.071 22.351 1.00 17.47 H new ATOM 673 N ASN A 43 70.678 8.966 25.415 1.00 25.48 N ATOM 674 CA ASN A 43 71.381 7.700 25.235 1.00 26.38 C ATOM 675 C ASN A 43 72.899 7.890 25.330 1.00 29.40 C ATOM 676 O ASN A 43 73.666 7.044 24.864 1.00 30.74 O ATOM 677 CB ASN A 43 71.011 7.064 23.887 1.00 24.64 C ATOM 678 CG ASN A 43 69.511 6.901 23.707 0.50 23.85 C ATOM 679 OD1 ASN A 43 68.780 6.652 24.668 0.50 20.08 O ATOM 680 ND2 ASN A 43 69.042 7.045 22.472 0.50 21.91 N ATOM 0 H ASN A 43 70.092 9.005 26.249 1.00 25.48 H new ATOM 0 HA ASN A 43 71.071 7.031 26.038 1.00 26.38 H new ATOM 0 HB2 ASN A 43 71.405 7.680 23.079 1.00 24.64 H new ATOM 0 HB3 ASN A 43 71.491 6.088 23.806 1.00 24.64 H new ATOM 0 HD21 ASN A 43 68.043 6.950 22.292 0.50 21.91 H new ATOM 0 HD22 ASN A 43 69.681 7.251 21.704 0.50 21.91 H new ATOM 687 N GLY A 44 73.334 9.002 25.942 1.00 31.47 N ATOM 688 CA GLY A 44 74.753 9.269 26.088 1.00 32.96 C ATOM 689 C GLY A 44 75.368 9.938 24.877 1.00 33.01 C ATOM 690 O GLY A 44 76.592 9.999 24.756 1.00 32.58 O ATOM 0 H GLY A 44 72.723 9.717 26.336 1.00 31.47 H new ATOM 0 HA2 GLY A 44 74.908 9.903 26.961 1.00 32.96 H new ATOM 0 HA3 GLY A 44 75.274 8.331 26.279 1.00 32.96 H new ATOM 694 N ARG A 45 74.525 10.441 23.979 1.00 32.71 N ATOM 695 CA ARG A 45 75.000 11.108 22.779 1.00 32.86 C ATOM 696 C ARG A 45 74.207 12.380 22.520 1.00 31.58 C ATOM 697 O ARG A 45 73.005 12.442 22.786 1.00 31.44 O ATOM 698 CB ARG A 45 74.898 10.172 21.570 1.00 33.41 C ATOM 699 CG ARG A 45 75.812 8.958 21.651 1.00 36.02 C ATOM 700 CD ARG A 45 77.279 9.358 21.611 1.00 39.71 C ATOM 701 NE ARG A 45 78.166 8.195 21.632 1.00 41.97 N ATOM 702 CZ ARG A 45 79.481 8.261 21.856 1.00 44.26 C ATOM 703 NH1 ARG A 45 80.070 9.433 22.079 1.00 45.68 N ATOM 704 NH2 ARG A 45 80.210 7.149 21.856 1.00 44.83 N ATOM 0 H ARG A 45 73.509 10.397 24.063 1.00 32.71 H new ATOM 0 HA ARG A 45 76.046 11.375 22.931 1.00 32.86 H new ATOM 0 HB2 ARG A 45 73.867 9.832 21.472 1.00 33.41 H new ATOM 0 HB3 ARG A 45 75.136 10.734 20.667 1.00 33.41 H new ATOM 0 HG2 ARG A 45 75.609 8.410 22.571 1.00 36.02 H new ATOM 0 HG3 ARG A 45 75.596 8.283 20.823 1.00 36.02 H new ATOM 0 HD2 ARG A 45 77.470 9.944 20.712 1.00 39.71 H new ATOM 0 HD3 ARG A 45 77.503 10.000 22.463 1.00 39.71 H new ATOM 0 HE ARG A 45 77.755 7.277 21.465 1.00 41.97 H new ATOM 0 HH11 ARG A 45 79.517 10.290 22.080 1.00 45.68 H new ATOM 0 HH12 ARG A 45 81.075 9.475 22.249 1.00 45.68 H new ATOM 0 HH21 ARG A 45 79.765 6.247 21.685 1.00 44.83 H new ATOM 0 HH22 ARG A 45 81.214 7.198 22.027 1.00 44.83 H new ATOM 718 N ARG A 46 74.887 13.392 21.989 1.00 29.31 N ATOM 719 CA ARG A 46 74.246 14.660 21.680 1.00 28.15 C ATOM 720 C ARG A 46 73.773 14.634 20.235 1.00 25.89 C ATOM 721 O ARG A 46 74.585 14.536 19.312 1.00 24.31 O ATOM 722 CB ARG A 46 75.212 15.831 21.892 1.00 29.02 C ATOM 723 CG ARG A 46 75.751 15.936 23.309 1.00 33.26 C ATOM 724 CD ARG A 46 76.012 17.384 23.699 1.00 34.98 C ATOM 725 NE ARG A 46 74.796 18.200 23.644 1.00 37.59 N ATOM 726 CZ ARG A 46 74.783 19.534 23.708 1.00 37.81 C ATOM 727 NH1 ARG A 46 75.919 20.217 23.830 1.00 35.42 N ATOM 728 NH2 ARG A 46 73.627 20.188 23.650 1.00 38.71 N ATOM 0 H ARG A 46 75.881 13.356 21.765 1.00 29.31 H new ATOM 0 HA ARG A 46 73.397 14.800 22.349 1.00 28.15 H new ATOM 0 HB2 ARG A 46 76.049 15.728 21.202 1.00 29.02 H new ATOM 0 HB3 ARG A 46 74.702 16.760 21.638 1.00 29.02 H new ATOM 0 HG2 ARG A 46 75.038 15.493 24.005 1.00 33.26 H new ATOM 0 HG3 ARG A 46 76.675 15.363 23.392 1.00 33.26 H new ATOM 0 HD2 ARG A 46 76.425 17.418 24.707 1.00 34.98 H new ATOM 0 HD3 ARG A 46 76.763 17.808 23.032 1.00 34.98 H new ATOM 0 HE ARG A 46 73.902 17.718 23.551 1.00 37.59 H new ATOM 0 HH11 ARG A 46 76.810 19.722 23.875 1.00 35.42 H new ATOM 0 HH12 ARG A 46 75.899 21.236 23.878 1.00 35.42 H new ATOM 0 HH21 ARG A 46 72.753 19.671 23.557 1.00 38.71 H new ATOM 0 HH22 ARG A 46 73.614 21.207 23.699 1.00 38.71 H new ATOM 742 N GLY A 47 72.463 14.717 20.040 1.00 23.54 N ATOM 743 CA GLY A 47 71.924 14.674 18.696 1.00 20.18 C ATOM 744 C GLY A 47 70.734 15.583 18.500 1.00 18.28 C ATOM 745 O GLY A 47 70.358 16.338 19.400 1.00 15.10 O ATOM 0 H GLY A 47 71.770 14.813 20.782 1.00 23.54 H new ATOM 0 HA2 GLY A 47 72.706 14.953 17.989 1.00 20.18 H new ATOM 0 HA3 GLY A 47 71.633 13.650 18.461 1.00 20.18 H new ATOM 749 N MET A 48 70.137 15.508 17.313 1.00 19.75 N ATOM 750 CA MET A 48 68.975 16.319 16.990 1.00 24.37 C ATOM 751 C MET A 48 67.751 15.431 16.830 1.00 21.67 C ATOM 752 O MET A 48 67.832 14.347 16.254 1.00 23.42 O ATOM 753 CB MET A 48 69.207 17.154 15.723 1.00 23.84 C ATOM 754 CG MET A 48 69.404 16.332 14.458 1.00 29.41 C ATOM 755 SD MET A 48 69.312 17.333 12.961 1.00 32.83 S ATOM 756 CE MET A 48 70.620 18.520 13.261 1.00 33.81 C ATOM 0 H MET A 48 70.443 14.891 16.560 1.00 19.75 H new ATOM 0 HA MET A 48 68.806 17.014 17.813 1.00 24.37 H new ATOM 0 HB2 MET A 48 68.356 17.820 15.580 1.00 23.84 H new ATOM 0 HB3 MET A 48 70.084 17.784 15.873 1.00 23.84 H new ATOM 0 HG2 MET A 48 70.373 15.835 14.499 1.00 29.41 H new ATOM 0 HG3 MET A 48 68.646 15.550 14.415 1.00 29.41 H new ATOM 0 HE1 MET A 48 71.120 18.756 12.321 1.00 33.81 H new ATOM 0 HE2 MET A 48 70.195 19.430 13.685 1.00 33.81 H new ATOM 0 HE3 MET A 48 71.342 18.097 13.960 1.00 33.81 H new ATOM 766 N PHE A 49 66.619 15.898 17.339 1.00 19.37 N ATOM 767 CA PHE A 49 65.378 15.133 17.278 1.00 19.28 C ATOM 768 C PHE A 49 64.190 16.029 16.937 1.00 17.06 C ATOM 769 O PHE A 49 64.245 17.247 17.127 1.00 14.70 O ATOM 770 CB PHE A 49 65.134 14.429 18.617 1.00 18.38 C ATOM 771 CG PHE A 49 65.530 15.261 19.805 1.00 19.54 C ATOM 772 CD1 PHE A 49 66.839 15.257 20.257 1.00 18.95 C ATOM 773 CD2 PHE A 49 64.603 16.059 20.455 1.00 21.48 C ATOM 774 CE1 PHE A 49 67.216 16.027 21.337 1.00 17.87 C ATOM 775 CE2 PHE A 49 64.976 16.835 21.536 1.00 20.51 C ATOM 776 CZ PHE A 49 66.285 16.818 21.977 1.00 18.61 C ATOM 0 H PHE A 49 66.533 16.804 17.800 1.00 19.37 H new ATOM 0 HA PHE A 49 65.477 14.389 16.488 1.00 19.28 H new ATOM 0 HB2 PHE A 49 64.078 14.172 18.698 1.00 18.38 H new ATOM 0 HB3 PHE A 49 65.692 13.493 18.635 1.00 18.38 H new ATOM 0 HD1 PHE A 49 67.574 14.643 19.757 1.00 18.95 H new ATOM 0 HD2 PHE A 49 63.579 16.075 20.114 1.00 21.48 H new ATOM 0 HE1 PHE A 49 68.239 16.011 21.681 1.00 17.87 H new ATOM 0 HE2 PHE A 49 64.245 17.454 22.035 1.00 20.51 H new ATOM 0 HZ PHE A 49 66.579 17.423 22.822 1.00 18.61 H new ATOM 786 N PRO A 50 63.095 15.433 16.430 1.00 18.64 N ATOM 787 CA PRO A 50 61.888 16.179 16.062 1.00 17.68 C ATOM 788 C PRO A 50 61.266 16.903 17.255 1.00 17.04 C ATOM 789 O PRO A 50 61.159 16.343 18.347 1.00 17.64 O ATOM 790 CB PRO A 50 60.933 15.100 15.538 1.00 18.09 C ATOM 791 CG PRO A 50 61.802 13.938 15.204 1.00 15.45 C ATOM 792 CD PRO A 50 62.951 13.992 16.168 1.00 16.48 C ATOM 0 HA PRO A 50 62.106 16.959 15.333 1.00 17.68 H new ATOM 0 HB2 PRO A 50 60.190 14.833 16.290 1.00 18.09 H new ATOM 0 HB3 PRO A 50 60.388 15.449 14.661 1.00 18.09 H new ATOM 0 HG2 PRO A 50 61.255 13.000 15.301 1.00 15.45 H new ATOM 0 HG3 PRO A 50 62.153 13.997 14.174 1.00 15.45 H new ATOM 0 HD2 PRO A 50 62.739 13.435 17.081 1.00 16.48 H new ATOM 0 HD3 PRO A 50 63.858 13.567 15.739 1.00 16.48 H new ATOM 800 N ASP A 51 60.859 18.151 17.031 1.00 18.08 N ATOM 801 CA ASP A 51 60.247 18.965 18.081 1.00 21.32 C ATOM 802 C ASP A 51 58.876 18.417 18.488 1.00 20.86 C ATOM 803 O ASP A 51 58.509 18.467 19.663 1.00 22.92 O ATOM 804 CB ASP A 51 60.115 20.419 17.611 1.00 20.97 C ATOM 805 CG ASP A 51 59.535 21.328 18.679 1.00 24.99 C ATOM 806 OD1 ASP A 51 60.314 21.845 19.507 1.00 25.32 O ATOM 807 OD2 ASP A 51 58.300 21.523 18.688 1.00 24.50 O ATOM 0 H ASP A 51 60.942 18.622 16.130 1.00 18.08 H new ATOM 0 HA ASP A 51 60.896 18.926 18.956 1.00 21.32 H new ATOM 0 HB2 ASP A 51 61.096 20.792 17.316 1.00 20.97 H new ATOM 0 HB3 ASP A 51 59.480 20.454 16.725 1.00 20.97 H new ATOM 812 N ASN A 52 58.125 17.893 17.515 1.00 21.11 N ATOM 813 CA ASN A 52 56.792 17.341 17.776 1.00 22.93 C ATOM 814 C ASN A 52 56.842 15.927 18.376 1.00 22.66 C ATOM 815 O ASN A 52 55.796 15.320 18.616 1.00 22.72 O ATOM 816 CB ASN A 52 55.965 17.323 16.486 1.00 22.50 C ATOM 817 CG ASN A 52 55.770 18.709 15.893 1.00 24.81 C ATOM 818 OD1 ASN A 52 55.711 19.705 16.614 1.00 25.56 O ATOM 819 ND2 ASN A 52 55.670 18.779 14.569 1.00 22.94 N ATOM 0 H ASN A 52 58.417 17.839 16.539 1.00 21.11 H new ATOM 0 HA ASN A 52 56.321 17.991 18.513 1.00 22.93 H new ATOM 0 HB2 ASN A 52 56.458 16.685 15.753 1.00 22.50 H new ATOM 0 HB3 ASN A 52 54.990 16.880 16.691 1.00 22.50 H new ATOM 0 HD21 ASN A 52 55.539 19.683 14.115 1.00 22.94 H new ATOM 0 HD22 ASN A 52 55.724 17.929 14.008 1.00 22.94 H new ATOM 826 N PHE A 53 58.047 15.406 18.621 1.00 21.55 N ATOM 827 CA PHE A 53 58.206 14.070 19.196 1.00 20.71 C ATOM 828 C PHE A 53 58.556 14.155 20.679 1.00 21.87 C ATOM 829 O PHE A 53 58.320 13.212 21.432 1.00 21.91 O ATOM 830 CB PHE A 53 59.280 13.284 18.441 1.00 20.11 C ATOM 831 CG PHE A 53 58.784 12.664 17.164 1.00 19.57 C ATOM 832 CD1 PHE A 53 58.280 13.453 16.141 1.00 17.93 C ATOM 833 CD2 PHE A 53 58.820 11.290 16.987 1.00 17.81 C ATOM 834 CE1 PHE A 53 57.822 12.885 14.969 1.00 17.12 C ATOM 835 CE2 PHE A 53 58.364 10.716 15.816 1.00 15.91 C ATOM 836 CZ PHE A 53 57.864 11.515 14.806 1.00 18.05 C ATOM 0 H PHE A 53 58.925 15.889 18.430 1.00 21.55 H new ATOM 0 HA PHE A 53 57.256 13.544 19.097 1.00 20.71 H new ATOM 0 HB2 PHE A 53 60.113 13.949 18.213 1.00 20.11 H new ATOM 0 HB3 PHE A 53 59.668 12.499 19.090 1.00 20.11 H new ATOM 0 HD1 PHE A 53 58.245 14.526 16.263 1.00 17.93 H new ATOM 0 HD2 PHE A 53 59.209 10.661 17.774 1.00 17.81 H new ATOM 0 HE1 PHE A 53 57.431 13.512 14.181 1.00 17.12 H new ATOM 0 HE2 PHE A 53 58.398 9.644 15.690 1.00 15.91 H new ATOM 0 HZ PHE A 53 57.506 11.068 13.890 1.00 18.05 H new ATOM 846 N VAL A 54 59.124 15.292 21.088 1.00 20.47 N ATOM 847 CA VAL A 54 59.494 15.517 22.477 1.00 19.01 C ATOM 848 C VAL A 54 58.766 16.738 23.029 1.00 19.31 C ATOM 849 O VAL A 54 58.625 17.752 22.341 1.00 17.80 O ATOM 850 CB VAL A 54 61.016 15.713 22.637 1.00 19.69 C ATOM 851 CG1 VAL A 54 61.756 14.435 22.280 1.00 15.47 C ATOM 852 CG2 VAL A 54 61.505 16.873 21.780 1.00 16.35 C ATOM 0 H VAL A 54 59.337 16.073 20.468 1.00 20.47 H new ATOM 0 HA VAL A 54 59.202 14.630 23.038 1.00 19.01 H new ATOM 0 HB VAL A 54 61.222 15.952 23.680 1.00 19.69 H new ATOM 0 HG11 VAL A 54 62.828 14.590 22.398 1.00 15.47 H new ATOM 0 HG12 VAL A 54 61.431 13.630 22.939 1.00 15.47 H new ATOM 0 HG13 VAL A 54 61.540 14.166 21.246 1.00 15.47 H new ATOM 0 HG21 VAL A 54 62.581 16.992 21.909 1.00 16.35 H new ATOM 0 HG22 VAL A 54 61.286 16.669 20.732 1.00 16.35 H new ATOM 0 HG23 VAL A 54 60.999 17.789 22.085 1.00 16.35 H new ATOM 862 N LYS A 55 58.305 16.638 24.271 1.00 19.27 N ATOM 863 CA LYS A 55 57.587 17.732 24.909 1.00 21.49 C ATOM 864 C LYS A 55 58.401 18.303 26.064 1.00 23.86 C ATOM 865 O LYS A 55 58.932 17.554 26.885 1.00 23.57 O ATOM 866 CB LYS A 55 56.220 17.257 25.411 1.00 21.82 C ATOM 867 CG LYS A 55 55.407 18.344 26.101 1.00 22.17 C ATOM 868 CD LYS A 55 55.085 19.491 25.153 1.00 20.83 C ATOM 869 CE LYS A 55 54.442 20.661 25.886 1.00 24.52 C ATOM 870 NZ LYS A 55 53.129 20.293 26.486 1.00 24.40 N ATOM 0 H LYS A 55 58.417 15.809 24.855 1.00 19.27 H new ATOM 0 HA LYS A 55 57.433 18.517 24.169 1.00 21.49 H new ATOM 0 HB2 LYS A 55 55.649 16.869 24.568 1.00 21.82 H new ATOM 0 HB3 LYS A 55 56.366 16.429 26.105 1.00 21.82 H new ATOM 0 HG2 LYS A 55 54.480 17.918 26.485 1.00 22.17 H new ATOM 0 HG3 LYS A 55 55.962 18.725 26.958 1.00 22.17 H new ATOM 0 HD2 LYS A 55 55.999 19.826 24.663 1.00 20.83 H new ATOM 0 HD3 LYS A 55 54.414 19.139 24.370 1.00 20.83 H new ATOM 0 HE2 LYS A 55 55.114 21.010 26.670 1.00 24.52 H new ATOM 0 HE3 LYS A 55 54.304 21.491 25.193 1.00 24.52 H new ATOM 0 HZ1 LYS A 55 52.696 21.135 26.916 1.00 24.40 H new ATOM 0 HZ2 LYS A 55 52.501 19.921 25.745 1.00 24.40 H new ATOM 0 HZ3 LYS A 55 53.272 19.566 27.216 1.00 24.40 H new ATOM 884 N GLU A 56 58.498 19.629 26.119 1.00 24.78 N ATOM 885 CA GLU A 56 59.245 20.295 27.179 1.00 27.68 C ATOM 886 C GLU A 56 58.740 19.848 28.549 1.00 27.45 C ATOM 887 O GLU A 56 57.532 19.733 28.766 1.00 29.34 O ATOM 888 CB GLU A 56 59.128 21.816 27.047 1.00 29.40 C ATOM 889 CG GLU A 56 60.033 22.580 28.000 1.00 32.23 C ATOM 890 CD GLU A 56 59.976 24.078 27.783 1.00 32.36 C ATOM 891 OE1 GLU A 56 60.760 24.589 26.955 1.00 34.64 O ATOM 892 OE2 GLU A 56 59.146 24.743 28.440 1.00 36.50 O ATOM 0 H GLU A 56 58.069 20.261 25.443 1.00 24.78 H new ATOM 0 HA GLU A 56 60.295 20.017 27.083 1.00 27.68 H new ATOM 0 HB2 GLU A 56 59.367 22.103 26.023 1.00 29.40 H new ATOM 0 HB3 GLU A 56 58.094 22.110 27.227 1.00 29.40 H new ATOM 0 HG2 GLU A 56 59.746 22.354 29.027 1.00 32.23 H new ATOM 0 HG3 GLU A 56 61.060 22.237 27.873 1.00 32.23 H new ATOM 899 N ILE A 57 59.669 19.603 29.469 1.00 28.44 N ATOM 900 CA ILE A 57 59.313 19.158 30.812 1.00 27.11 C ATOM 901 C ILE A 57 59.142 20.352 31.751 1.00 29.50 C ATOM 902 O ILE A 57 60.081 20.759 32.438 1.00 28.05 O ATOM 903 CB ILE A 57 60.370 18.189 31.388 1.00 26.77 C ATOM 904 CG1 ILE A 57 60.589 17.012 30.432 1.00 25.02 C ATOM 905 CG2 ILE A 57 59.947 17.690 32.764 1.00 23.48 C ATOM 906 CD1 ILE A 57 61.733 16.106 30.831 1.00 24.60 C ATOM 0 H ILE A 57 60.671 19.705 29.309 1.00 28.44 H new ATOM 0 HA ILE A 57 58.365 18.625 30.735 1.00 27.11 H new ATOM 0 HB ILE A 57 61.311 18.728 31.496 1.00 26.77 H new ATOM 0 HG12 ILE A 57 59.673 16.423 30.379 1.00 25.02 H new ATOM 0 HG13 ILE A 57 60.777 17.399 29.431 1.00 25.02 H new ATOM 0 HG21 ILE A 57 60.704 17.009 33.153 1.00 23.48 H new ATOM 0 HG22 ILE A 57 59.839 18.537 33.441 1.00 23.48 H new ATOM 0 HG23 ILE A 57 58.995 17.166 32.684 1.00 23.48 H new ATOM 0 HD11 ILE A 57 61.826 15.297 30.107 1.00 24.60 H new ATOM 0 HD12 ILE A 57 62.660 16.679 30.855 1.00 24.60 H new ATOM 0 HD13 ILE A 57 61.539 15.688 31.819 1.00 24.60 H new ATOM 918 N LYS A 58 57.936 20.917 31.757 1.00 30.67 N ATOM 919 CA LYS A 58 57.630 22.063 32.608 1.00 34.32 C ATOM 920 C LYS A 58 57.321 21.606 34.035 1.00 33.94 C ATOM 921 O LYS A 58 58.186 21.802 34.914 1.00 34.32 O ATOM 922 CB LYS A 58 56.452 22.861 32.031 1.00 33.25 C ATOM 923 CG LYS A 58 56.372 24.296 32.533 1.00 34.92 C ATOM 924 CD LYS A 58 55.983 24.364 34.003 1.00 37.93 C ATOM 925 CE LYS A 58 55.933 25.801 34.505 1.00 41.50 C ATOM 926 NZ LYS A 58 57.276 26.445 34.494 1.00 44.29 N ATOM 927 OXT LYS A 58 56.225 21.046 34.260 1.00 24.60 O ATOM 0 H LYS A 58 57.156 20.599 31.182 1.00 30.67 H new ATOM 0 HA LYS A 58 58.505 22.713 32.638 1.00 34.32 H new ATOM 0 HB2 LYS A 58 56.531 22.871 30.944 1.00 33.25 H new ATOM 0 HB3 LYS A 58 55.523 22.348 32.279 1.00 33.25 H new ATOM 0 HG2 LYS A 58 57.336 24.785 32.390 1.00 34.92 H new ATOM 0 HG3 LYS A 58 55.643 24.848 31.939 1.00 34.92 H new ATOM 0 HD2 LYS A 58 55.009 23.895 34.144 1.00 37.93 H new ATOM 0 HD3 LYS A 58 56.700 23.796 34.596 1.00 37.93 H new ATOM 0 HE2 LYS A 58 55.249 26.378 33.883 1.00 41.50 H new ATOM 0 HE3 LYS A 58 55.532 25.817 35.518 1.00 41.50 H new ATOM 0 HZ1 LYS A 58 57.233 27.346 35.011 1.00 44.29 H new ATOM 0 HZ2 LYS A 58 57.966 25.816 34.951 1.00 44.29 H new ATOM 0 HZ3 LYS A 58 57.567 26.623 33.512 1.00 44.29 H new TER 941 LYS A 58