USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 581 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 16 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 28 MET CE :methyl -138:sc= -0.0526 (180deg=-2.43!) USER MOD Set 1.3: A 36 MET CE :methyl -144:sc= -0.188 (180deg=-2.62!) USER MOD Set 2.1: A 9 THR OG1 : rot -99:sc= 1.04 USER MOD Set 2.2: A 19 HIS : no HD1:sc= -1.39! C(o=-0.34!,f=-13!) USER MOD Single : A 1 VAL N :NH3+ -170:sc= -0.243 (180deg=-0.558) USER MOD Single : A 3 MET CE :methyl -114:sc= -1.93! (180deg=-5.86!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -1.51 K(o=-1.5,f=-0.24) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 17 LYS NZ :NH3+ -178:sc= 0.956 (180deg=0.886) USER MOD Single : A 22 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0435) USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= 1.26 (180deg=1.18) USER MOD Single : A 26 MET CE :methyl 154:sc= -0.686 (180deg=-1.73!) USER MOD Single : A 30 ASN : amide:sc= -4.58! C(o=-4.6!,f=-13!) USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= 1.3 (180deg=1.17) USER MOD Single : A 34 LYS NZ :NH3+ -175:sc= 1.27 (180deg=1.2) USER MOD Single : A 35 SER OG : rot 25:sc= 0.00235 USER MOD Single : A 37 ASN : amide:sc= -1.35! K(o=-1.3!,f=-0.013) USER MOD Single : A 38 MET CE :methyl -137:sc= -0.258 (180deg=-3.28!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -170:sc= 0 (180deg=-0.0856) USER MOD Single : A 46 THR OG1 : rot 147:sc= 1.67 USER MOD Single : A 50 THR OG1 : rot 65:sc= 1.28 USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= 2.03 (180deg=1.78) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -149:sc= 0.011 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0.144 X(o=0.14,f=-0.076) USER MOD Single : A 68 LYS NZ :NH3+ -116:sc= 1.22 (180deg=-0.223) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 100:sc= 0.98 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.062 -3.344 9.038 1.00 2.42 N ATOM 2 CA VAL A 1 8.361 -2.725 8.683 1.00 1.98 C ATOM 3 C VAL A 1 8.735 -1.637 9.689 1.00 1.83 C ATOM 4 O VAL A 1 9.913 -1.434 9.970 1.00 2.26 O ATOM 5 CB VAL A 1 8.358 -2.128 7.252 1.00 1.77 C ATOM 6 CG1 VAL A 1 8.047 -3.202 6.222 1.00 2.46 C ATOM 7 CG2 VAL A 1 7.381 -0.964 7.124 1.00 1.89 C ATOM 0 H1 VAL A 1 6.907 -4.187 8.449 1.00 2.42 H new ATOM 0 H2 VAL A 1 7.071 -3.619 10.041 1.00 2.42 H new ATOM 0 H3 VAL A 1 6.295 -2.661 8.873 1.00 2.42 H new ATOM 0 HA VAL A 1 9.104 -3.522 8.712 1.00 1.98 H new ATOM 0 HB VAL A 1 9.358 -1.739 7.061 1.00 1.77 H new ATOM 0 HG11 VAL A 1 8.050 -2.762 5.225 1.00 2.46 H new ATOM 0 HG12 VAL A 1 8.802 -3.986 6.275 1.00 2.46 H new ATOM 0 HG13 VAL A 1 7.065 -3.629 6.427 1.00 2.46 H new ATOM 0 HG21 VAL A 1 7.410 -0.575 6.106 1.00 1.89 H new ATOM 0 HG22 VAL A 1 6.372 -1.309 7.352 1.00 1.89 H new ATOM 0 HG23 VAL A 1 7.661 -0.175 7.822 1.00 1.89 H new ATOM 19 N ASP A 2 7.715 -0.949 10.221 1.00 1.77 N ATOM 20 CA ASP A 2 7.898 0.121 11.205 1.00 1.63 C ATOM 21 C ASP A 2 9.013 1.076 10.805 1.00 1.22 C ATOM 22 O ASP A 2 10.054 1.161 11.455 1.00 1.60 O ATOM 23 CB ASP A 2 8.148 -0.449 12.601 1.00 2.00 C ATOM 24 CG ASP A 2 6.916 -1.124 13.170 1.00 2.77 C ATOM 25 OD1 ASP A 2 5.993 -0.406 13.613 1.00 3.11 O ATOM 26 OD2 ASP A 2 6.853 -2.370 13.157 1.00 3.48 O ATOM 0 H ASP A 2 6.739 -1.121 9.979 1.00 1.77 H new ATOM 0 HA ASP A 2 6.970 0.693 11.230 1.00 1.63 H new ATOM 0 HB2 ASP A 2 8.967 -1.167 12.558 1.00 2.00 H new ATOM 0 HB3 ASP A 2 8.462 0.353 13.269 1.00 2.00 H new ATOM 31 N MET A 3 8.782 1.780 9.710 1.00 0.96 N ATOM 32 CA MET A 3 9.742 2.743 9.191 1.00 0.96 C ATOM 33 C MET A 3 9.856 3.965 10.083 1.00 0.91 C ATOM 34 O MET A 3 10.834 4.705 9.996 1.00 1.26 O ATOM 35 CB MET A 3 9.385 3.174 7.771 1.00 1.43 C ATOM 36 CG MET A 3 9.501 2.048 6.770 1.00 1.59 C ATOM 37 SD MET A 3 11.186 1.434 6.634 1.00 2.01 S ATOM 38 CE MET A 3 10.885 -0.184 5.941 1.00 2.17 C ATOM 0 H MET A 3 7.928 1.702 9.157 1.00 0.96 H new ATOM 0 HA MET A 3 10.709 2.240 9.174 1.00 0.96 H new ATOM 0 HB2 MET A 3 8.366 3.561 7.759 1.00 1.43 H new ATOM 0 HB3 MET A 3 10.040 3.991 7.469 1.00 1.43 H new ATOM 0 HG2 MET A 3 8.841 1.232 7.065 1.00 1.59 H new ATOM 0 HG3 MET A 3 9.162 2.395 5.794 1.00 1.59 H new ATOM 0 HE1 MET A 3 11.174 -0.948 6.663 1.00 2.17 H new ATOM 0 HE2 MET A 3 9.826 -0.288 5.706 1.00 2.17 H new ATOM 0 HE3 MET A 3 11.472 -0.305 5.030 1.00 2.17 H new ATOM 48 N SER A 4 8.824 4.190 10.900 1.00 0.78 N ATOM 49 CA SER A 4 8.702 5.372 11.748 1.00 0.78 C ATOM 50 C SER A 4 8.358 6.574 10.888 1.00 0.72 C ATOM 51 O SER A 4 7.731 7.530 11.336 1.00 0.81 O ATOM 52 CB SER A 4 9.974 5.600 12.558 1.00 0.86 C ATOM 53 OG SER A 4 10.172 4.554 13.496 1.00 1.47 O ATOM 0 H SER A 4 8.039 3.545 10.990 1.00 0.78 H new ATOM 0 HA SER A 4 7.897 5.218 12.466 1.00 0.78 H new ATOM 0 HB2 SER A 4 10.831 5.659 11.887 1.00 0.86 H new ATOM 0 HB3 SER A 4 9.911 6.555 13.080 1.00 0.86 H new ATOM 0 HG SER A 4 10.994 4.720 14.003 1.00 1.47 H new ATOM 59 N ASN A 5 8.781 6.505 9.642 1.00 0.64 N ATOM 60 CA ASN A 5 8.350 7.428 8.628 1.00 0.64 C ATOM 61 C ASN A 5 7.194 6.833 7.845 1.00 0.57 C ATOM 62 O ASN A 5 6.493 7.531 7.125 1.00 0.68 O ATOM 63 CB ASN A 5 9.524 7.768 7.710 1.00 0.69 C ATOM 64 CG ASN A 5 9.111 8.269 6.336 1.00 1.19 C ATOM 65 OD1 ASN A 5 8.958 9.469 6.123 1.00 1.89 O ATOM 66 ND2 ASN A 5 8.931 7.350 5.394 1.00 1.24 N ATOM 0 H ASN A 5 9.438 5.800 9.309 1.00 0.64 H new ATOM 0 HA ASN A 5 8.002 8.350 9.095 1.00 0.64 H new ATOM 0 HB2 ASN A 5 10.140 8.527 8.192 1.00 0.69 H new ATOM 0 HB3 ASN A 5 10.146 6.881 7.590 1.00 0.69 H new ATOM 0 HD21 ASN A 5 8.656 7.631 4.453 1.00 1.24 H new ATOM 0 HD22 ASN A 5 9.068 6.363 5.612 1.00 1.24 H new ATOM 73 N VAL A 6 6.975 5.537 7.981 1.00 0.44 N ATOM 74 CA VAL A 6 5.853 4.930 7.295 1.00 0.40 C ATOM 75 C VAL A 6 4.603 4.989 8.177 1.00 0.40 C ATOM 76 O VAL A 6 4.674 4.754 9.386 1.00 0.47 O ATOM 77 CB VAL A 6 6.167 3.480 6.881 1.00 0.43 C ATOM 78 CG1 VAL A 6 6.190 2.546 8.077 1.00 0.98 C ATOM 79 CG2 VAL A 6 5.189 3.000 5.839 1.00 1.25 C ATOM 0 H VAL A 6 7.542 4.902 8.543 1.00 0.44 H new ATOM 0 HA VAL A 6 5.664 5.495 6.382 1.00 0.40 H new ATOM 0 HB VAL A 6 7.166 3.471 6.445 1.00 0.43 H new ATOM 0 HG11 VAL A 6 6.415 1.533 7.743 1.00 0.98 H new ATOM 0 HG12 VAL A 6 6.955 2.874 8.781 1.00 0.98 H new ATOM 0 HG13 VAL A 6 5.217 2.559 8.567 1.00 0.98 H new ATOM 0 HG21 VAL A 6 5.429 1.974 5.560 1.00 1.25 H new ATOM 0 HG22 VAL A 6 4.178 3.040 6.244 1.00 1.25 H new ATOM 0 HG23 VAL A 6 5.253 3.639 4.958 1.00 1.25 H new ATOM 89 N VAL A 7 3.471 5.347 7.587 1.00 0.38 N ATOM 90 CA VAL A 7 2.228 5.437 8.342 1.00 0.41 C ATOM 91 C VAL A 7 1.458 4.118 8.312 1.00 0.37 C ATOM 92 O VAL A 7 0.624 3.861 9.181 1.00 0.42 O ATOM 93 CB VAL A 7 1.317 6.596 7.861 1.00 0.52 C ATOM 94 CG1 VAL A 7 1.928 7.938 8.230 1.00 0.94 C ATOM 95 CG2 VAL A 7 1.069 6.533 6.360 1.00 1.03 C ATOM 0 H VAL A 7 3.387 5.578 6.597 1.00 0.38 H new ATOM 0 HA VAL A 7 2.517 5.653 9.371 1.00 0.41 H new ATOM 0 HB VAL A 7 0.356 6.487 8.364 1.00 0.52 H new ATOM 0 HG11 VAL A 7 1.277 8.741 7.886 1.00 0.94 H new ATOM 0 HG12 VAL A 7 2.041 8.001 9.312 1.00 0.94 H new ATOM 0 HG13 VAL A 7 2.905 8.035 7.757 1.00 0.94 H new ATOM 0 HG21 VAL A 7 0.427 7.362 6.062 1.00 1.03 H new ATOM 0 HG22 VAL A 7 2.019 6.602 5.831 1.00 1.03 H new ATOM 0 HG23 VAL A 7 0.583 5.590 6.111 1.00 1.03 H new ATOM 105 N LYS A 8 1.750 3.280 7.319 1.00 0.34 N ATOM 106 CA LYS A 8 1.130 1.961 7.234 1.00 0.35 C ATOM 107 C LYS A 8 1.810 1.096 6.175 1.00 0.31 C ATOM 108 O LYS A 8 2.363 1.600 5.199 1.00 0.35 O ATOM 109 CB LYS A 8 -0.378 2.080 6.957 1.00 0.44 C ATOM 110 CG LYS A 8 -1.115 0.750 6.952 1.00 0.50 C ATOM 111 CD LYS A 8 -0.902 0.020 8.264 1.00 0.57 C ATOM 112 CE LYS A 8 -1.616 0.691 9.425 1.00 1.01 C ATOM 113 NZ LYS A 8 -1.277 0.044 10.721 1.00 1.41 N ATOM 0 H LYS A 8 2.407 3.489 6.568 1.00 0.34 H new ATOM 0 HA LYS A 8 1.261 1.471 8.199 1.00 0.35 H new ATOM 0 HB2 LYS A 8 -0.825 2.728 7.711 1.00 0.44 H new ATOM 0 HB3 LYS A 8 -0.522 2.567 5.992 1.00 0.44 H new ATOM 0 HG2 LYS A 8 -2.180 0.918 6.791 1.00 0.50 H new ATOM 0 HG3 LYS A 8 -0.761 0.135 6.125 1.00 0.50 H new ATOM 0 HD2 LYS A 8 -1.257 -1.006 8.167 1.00 0.57 H new ATOM 0 HD3 LYS A 8 0.165 -0.031 8.479 1.00 0.57 H new ATOM 0 HE2 LYS A 8 -1.343 1.746 9.461 1.00 1.01 H new ATOM 0 HE3 LYS A 8 -2.693 0.646 9.266 1.00 1.01 H new ATOM 0 HZ1 LYS A 8 -1.781 0.526 11.492 1.00 1.41 H new ATOM 0 HZ2 LYS A 8 -1.561 -0.956 10.694 1.00 1.41 H new ATOM 0 HZ3 LYS A 8 -0.252 0.109 10.884 1.00 1.41 H new ATOM 127 N THR A 9 1.767 -0.208 6.390 1.00 0.33 N ATOM 128 CA THR A 9 2.312 -1.171 5.457 1.00 0.32 C ATOM 129 C THR A 9 1.304 -2.298 5.228 1.00 0.35 C ATOM 130 O THR A 9 0.556 -2.664 6.134 1.00 0.39 O ATOM 131 CB THR A 9 3.676 -1.703 5.950 1.00 0.33 C ATOM 132 OG1 THR A 9 4.668 -0.701 5.716 1.00 0.40 O ATOM 133 CG2 THR A 9 4.079 -3.001 5.261 1.00 0.33 C ATOM 0 H THR A 9 1.350 -0.627 7.221 1.00 0.33 H new ATOM 0 HA THR A 9 2.492 -0.682 4.500 1.00 0.32 H new ATOM 0 HB THR A 9 3.590 -1.923 7.014 1.00 0.33 H new ATOM 0 HG1 THR A 9 5.163 -0.915 4.898 1.00 0.40 H new ATOM 0 HG21 THR A 9 5.045 -3.331 5.644 1.00 0.33 H new ATOM 0 HG22 THR A 9 3.329 -3.766 5.459 1.00 0.33 H new ATOM 0 HG23 THR A 9 4.152 -2.835 4.186 1.00 0.33 H new ATOM 141 N TYR A 10 1.281 -2.819 4.008 1.00 0.37 N ATOM 142 CA TYR A 10 0.294 -3.801 3.607 1.00 0.42 C ATOM 143 C TYR A 10 0.917 -5.014 2.988 1.00 0.38 C ATOM 144 O TYR A 10 1.926 -4.938 2.293 1.00 0.35 O ATOM 145 CB TYR A 10 -0.731 -3.181 2.664 1.00 0.47 C ATOM 146 CG TYR A 10 -1.728 -2.340 3.401 1.00 0.60 C ATOM 147 CD1 TYR A 10 -2.594 -2.892 4.332 1.00 0.70 C ATOM 148 CD2 TYR A 10 -1.809 -0.985 3.142 1.00 0.68 C ATOM 149 CE1 TYR A 10 -3.521 -2.104 4.988 1.00 0.84 C ATOM 150 CE2 TYR A 10 -2.727 -0.192 3.783 1.00 0.82 C ATOM 151 CZ TYR A 10 -3.558 -0.820 4.820 1.00 0.91 C ATOM 152 OH TYR A 10 -4.507 0.038 5.350 1.00 1.06 O ATOM 0 H TYR A 10 1.945 -2.571 3.275 1.00 0.37 H new ATOM 0 HA TYR A 10 -0.216 -4.130 4.513 1.00 0.42 H new ATOM 0 HB2 TYR A 10 -0.218 -2.570 1.921 1.00 0.47 H new ATOM 0 HB3 TYR A 10 -1.251 -3.971 2.123 1.00 0.47 H new ATOM 0 HD1 TYR A 10 -2.544 -3.949 4.547 1.00 0.70 H new ATOM 0 HD2 TYR A 10 -1.137 -0.542 2.422 1.00 0.68 H new ATOM 0 HE1 TYR A 10 -4.231 -2.569 5.656 1.00 0.84 H new ATOM 0 HE2 TYR A 10 -2.835 0.854 3.535 1.00 0.82 H new ATOM 0 HH TYR A 10 -4.308 0.957 5.074 1.00 1.06 H new ATOM 162 N ASP A 11 0.291 -6.132 3.269 1.00 0.42 N ATOM 163 CA ASP A 11 0.749 -7.404 2.767 1.00 0.42 C ATOM 164 C ASP A 11 -0.171 -7.889 1.668 1.00 0.39 C ATOM 165 O ASP A 11 -1.383 -8.036 1.852 1.00 0.40 O ATOM 166 CB ASP A 11 0.854 -8.441 3.880 1.00 0.52 C ATOM 167 CG ASP A 11 2.086 -8.249 4.745 1.00 1.25 C ATOM 168 OD1 ASP A 11 3.172 -8.733 4.358 1.00 1.94 O ATOM 169 OD2 ASP A 11 1.966 -7.631 5.824 1.00 1.69 O ATOM 0 H ASP A 11 -0.546 -6.185 3.849 1.00 0.42 H new ATOM 0 HA ASP A 11 1.749 -7.266 2.356 1.00 0.42 H new ATOM 0 HB2 ASP A 11 -0.037 -8.387 4.506 1.00 0.52 H new ATOM 0 HB3 ASP A 11 0.875 -9.438 3.441 1.00 0.52 H new ATOM 174 N LEU A 12 0.438 -8.136 0.537 1.00 0.38 N ATOM 175 CA LEU A 12 -0.269 -8.487 -0.693 1.00 0.41 C ATOM 176 C LEU A 12 -0.747 -9.937 -0.714 1.00 0.54 C ATOM 177 O LEU A 12 -1.265 -10.395 -1.731 1.00 1.50 O ATOM 178 CB LEU A 12 0.621 -8.242 -1.905 1.00 0.40 C ATOM 179 CG LEU A 12 0.969 -6.773 -2.167 1.00 0.46 C ATOM 180 CD1 LEU A 12 1.383 -6.580 -3.613 1.00 1.04 C ATOM 181 CD2 LEU A 12 -0.204 -5.863 -1.828 1.00 1.04 C ATOM 0 H LEU A 12 1.452 -8.102 0.431 1.00 0.38 H new ATOM 0 HA LEU A 12 -1.150 -7.847 -0.731 1.00 0.41 H new ATOM 0 HB2 LEU A 12 1.547 -8.802 -1.776 1.00 0.40 H new ATOM 0 HB3 LEU A 12 0.126 -8.645 -2.788 1.00 0.40 H new ATOM 0 HG LEU A 12 1.805 -6.503 -1.521 1.00 0.46 H new ATOM 0 HD11 LEU A 12 1.627 -5.532 -3.785 1.00 1.04 H new ATOM 0 HD12 LEU A 12 2.257 -7.196 -3.827 1.00 1.04 H new ATOM 0 HD13 LEU A 12 0.563 -6.873 -4.268 1.00 1.04 H new ATOM 0 HD21 LEU A 12 0.071 -4.827 -2.024 1.00 1.04 H new ATOM 0 HD22 LEU A 12 -1.063 -6.132 -2.442 1.00 1.04 H new ATOM 0 HD23 LEU A 12 -0.461 -5.978 -0.775 1.00 1.04 H new ATOM 193 N GLN A 13 -0.501 -10.664 0.373 1.00 0.65 N ATOM 194 CA GLN A 13 -1.011 -12.033 0.556 1.00 0.62 C ATOM 195 C GLN A 13 -0.088 -13.029 -0.133 1.00 0.62 C ATOM 196 O GLN A 13 0.098 -14.153 0.332 1.00 0.74 O ATOM 197 CB GLN A 13 -2.447 -12.178 0.040 1.00 0.69 C ATOM 198 CG GLN A 13 -3.076 -13.527 0.326 1.00 0.89 C ATOM 199 CD GLN A 13 -4.531 -13.576 -0.090 1.00 1.08 C ATOM 200 OE1 GLN A 13 -4.941 -12.908 -1.039 1.00 1.68 O ATOM 201 NE2 GLN A 13 -5.323 -14.361 0.618 1.00 1.61 N ATOM 0 H GLN A 13 0.058 -10.326 1.157 1.00 0.65 H new ATOM 0 HA GLN A 13 -1.029 -12.245 1.625 1.00 0.62 H new ATOM 0 HB2 GLN A 13 -3.063 -11.400 0.490 1.00 0.69 H new ATOM 0 HB3 GLN A 13 -2.453 -12.007 -1.037 1.00 0.69 H new ATOM 0 HG2 GLN A 13 -2.522 -14.304 -0.201 1.00 0.89 H new ATOM 0 HG3 GLN A 13 -2.996 -13.745 1.391 1.00 0.89 H new ATOM 0 HE21 GLN A 13 -4.944 -14.899 1.397 1.00 1.61 H new ATOM 0 HE22 GLN A 13 -6.314 -14.430 0.385 1.00 1.61 H new ATOM 210 N ASP A 14 0.506 -12.589 -1.231 1.00 0.55 N ATOM 211 CA ASP A 14 1.533 -13.356 -1.913 1.00 0.64 C ATOM 212 C ASP A 14 2.832 -13.148 -1.158 1.00 0.54 C ATOM 213 O ASP A 14 3.760 -13.948 -1.229 1.00 0.70 O ATOM 214 CB ASP A 14 1.664 -12.897 -3.373 1.00 0.80 C ATOM 215 CG ASP A 14 2.905 -13.427 -4.070 1.00 1.46 C ATOM 216 OD1 ASP A 14 2.988 -14.647 -4.319 1.00 1.98 O ATOM 217 OD2 ASP A 14 3.804 -12.617 -4.387 1.00 2.11 O ATOM 0 H ASP A 14 0.290 -11.695 -1.672 1.00 0.55 H new ATOM 0 HA ASP A 14 1.276 -14.415 -1.932 1.00 0.64 H new ATOM 0 HB2 ASP A 14 0.782 -13.219 -3.926 1.00 0.80 H new ATOM 0 HB3 ASP A 14 1.679 -11.807 -3.402 1.00 0.80 H new ATOM 222 N GLY A 15 2.849 -12.068 -0.391 1.00 0.55 N ATOM 223 CA GLY A 15 3.970 -11.783 0.462 1.00 0.73 C ATOM 224 C GLY A 15 4.543 -10.404 0.260 1.00 0.75 C ATOM 225 O GLY A 15 5.295 -9.914 1.102 1.00 1.28 O ATOM 0 H GLY A 15 2.096 -11.382 -0.349 1.00 0.55 H new ATOM 0 HA2 GLY A 15 3.662 -11.891 1.502 1.00 0.73 H new ATOM 0 HA3 GLY A 15 4.751 -12.522 0.282 1.00 0.73 H new ATOM 229 N SER A 16 4.209 -9.785 -0.862 1.00 0.37 N ATOM 230 CA SER A 16 4.709 -8.458 -1.166 1.00 0.35 C ATOM 231 C SER A 16 4.221 -7.455 -0.127 1.00 0.29 C ATOM 232 O SER A 16 3.099 -7.555 0.368 1.00 0.33 O ATOM 233 CB SER A 16 4.262 -8.028 -2.558 1.00 0.44 C ATOM 234 OG SER A 16 4.523 -9.038 -3.518 1.00 1.07 O ATOM 0 H SER A 16 3.595 -10.181 -1.574 1.00 0.37 H new ATOM 0 HA SER A 16 5.798 -8.487 -1.141 1.00 0.35 H new ATOM 0 HB2 SER A 16 3.196 -7.802 -2.546 1.00 0.44 H new ATOM 0 HB3 SER A 16 4.779 -7.111 -2.841 1.00 0.44 H new ATOM 0 HG SER A 16 4.224 -8.735 -4.401 1.00 1.07 H new ATOM 240 N LYS A 17 5.070 -6.500 0.201 1.00 0.26 N ATOM 241 CA LYS A 17 4.755 -5.511 1.210 1.00 0.28 C ATOM 242 C LYS A 17 4.702 -4.120 0.601 1.00 0.30 C ATOM 243 O LYS A 17 5.638 -3.685 -0.062 1.00 0.43 O ATOM 244 CB LYS A 17 5.796 -5.559 2.323 1.00 0.31 C ATOM 245 CG LYS A 17 5.898 -6.916 2.991 1.00 0.71 C ATOM 246 CD LYS A 17 6.807 -6.869 4.201 1.00 0.66 C ATOM 247 CE LYS A 17 6.914 -8.230 4.866 1.00 0.84 C ATOM 248 NZ LYS A 17 5.604 -8.713 5.386 1.00 1.84 N ATOM 0 H LYS A 17 5.991 -6.389 -0.222 1.00 0.26 H new ATOM 0 HA LYS A 17 3.774 -5.739 1.627 1.00 0.28 H new ATOM 0 HB2 LYS A 17 6.769 -5.290 1.912 1.00 0.31 H new ATOM 0 HB3 LYS A 17 5.549 -4.809 3.075 1.00 0.31 H new ATOM 0 HG2 LYS A 17 4.905 -7.250 3.293 1.00 0.71 H new ATOM 0 HG3 LYS A 17 6.277 -7.647 2.277 1.00 0.71 H new ATOM 0 HD2 LYS A 17 7.798 -6.530 3.900 1.00 0.66 H new ATOM 0 HD3 LYS A 17 6.425 -6.141 4.917 1.00 0.66 H new ATOM 0 HE2 LYS A 17 7.306 -8.952 4.149 1.00 0.84 H new ATOM 0 HE3 LYS A 17 7.630 -8.175 5.686 1.00 0.84 H new ATOM 0 HZ1 LYS A 17 5.735 -9.629 5.860 1.00 1.84 H new ATOM 0 HZ2 LYS A 17 5.224 -8.023 6.065 1.00 1.84 H new ATOM 0 HZ3 LYS A 17 4.937 -8.825 4.596 1.00 1.84 H new ATOM 262 N VAL A 18 3.606 -3.430 0.829 1.00 0.28 N ATOM 263 CA VAL A 18 3.434 -2.072 0.343 1.00 0.30 C ATOM 264 C VAL A 18 3.475 -1.107 1.511 1.00 0.31 C ATOM 265 O VAL A 18 2.898 -1.375 2.553 1.00 0.41 O ATOM 266 CB VAL A 18 2.090 -1.923 -0.396 1.00 0.35 C ATOM 267 CG1 VAL A 18 1.865 -0.483 -0.837 1.00 0.39 C ATOM 268 CG2 VAL A 18 2.028 -2.868 -1.587 1.00 0.36 C ATOM 0 H VAL A 18 2.809 -3.790 1.354 1.00 0.28 H new ATOM 0 HA VAL A 18 4.242 -1.848 -0.353 1.00 0.30 H new ATOM 0 HB VAL A 18 1.291 -2.189 0.296 1.00 0.35 H new ATOM 0 HG11 VAL A 18 0.909 -0.406 -1.356 1.00 0.39 H new ATOM 0 HG12 VAL A 18 1.856 0.168 0.037 1.00 0.39 H new ATOM 0 HG13 VAL A 18 2.668 -0.178 -1.508 1.00 0.39 H new ATOM 0 HG21 VAL A 18 1.072 -2.749 -2.097 1.00 0.36 H new ATOM 0 HG22 VAL A 18 2.839 -2.636 -2.278 1.00 0.36 H new ATOM 0 HG23 VAL A 18 2.129 -3.897 -1.241 1.00 0.36 H new ATOM 278 N HIS A 19 4.180 -0.004 1.365 1.00 0.29 N ATOM 279 CA HIS A 19 4.272 0.955 2.447 1.00 0.29 C ATOM 280 C HIS A 19 3.802 2.313 1.988 1.00 0.30 C ATOM 281 O HIS A 19 4.268 2.820 0.976 1.00 0.34 O ATOM 282 CB HIS A 19 5.709 1.086 2.960 1.00 0.32 C ATOM 283 CG HIS A 19 6.514 -0.176 2.943 1.00 0.32 C ATOM 284 ND1 HIS A 19 6.013 -1.416 3.265 1.00 0.67 N ATOM 285 CD2 HIS A 19 7.802 -0.369 2.613 1.00 0.37 C ATOM 286 CE1 HIS A 19 6.965 -2.320 3.128 1.00 0.66 C ATOM 287 NE2 HIS A 19 8.059 -1.709 2.730 1.00 0.41 N ATOM 0 H HIS A 19 4.692 0.249 0.520 1.00 0.29 H new ATOM 0 HA HIS A 19 3.637 0.590 3.254 1.00 0.29 H new ATOM 0 HB2 HIS A 19 6.225 1.834 2.358 1.00 0.32 H new ATOM 0 HB3 HIS A 19 5.679 1.464 3.982 1.00 0.32 H new ATOM 0 HD2 HIS A 19 8.505 0.393 2.311 1.00 0.37 H new ATOM 0 HE1 HIS A 19 6.863 -3.379 3.311 1.00 0.66 H new ATOM 0 HE2 HIS A 19 8.954 -2.160 2.539 1.00 0.41 H new ATOM 296 N VAL A 20 2.877 2.889 2.730 1.00 0.31 N ATOM 297 CA VAL A 20 2.480 4.263 2.508 1.00 0.33 C ATOM 298 C VAL A 20 3.242 5.125 3.497 1.00 0.32 C ATOM 299 O VAL A 20 3.087 4.980 4.712 1.00 0.33 O ATOM 300 CB VAL A 20 0.965 4.476 2.683 1.00 0.40 C ATOM 301 CG1 VAL A 20 0.580 5.904 2.317 1.00 0.56 C ATOM 302 CG2 VAL A 20 0.180 3.480 1.844 1.00 0.81 C ATOM 0 H VAL A 20 2.386 2.424 3.494 1.00 0.31 H new ATOM 0 HA VAL A 20 2.712 4.535 1.478 1.00 0.33 H new ATOM 0 HB VAL A 20 0.716 4.309 3.731 1.00 0.40 H new ATOM 0 HG11 VAL A 20 -0.494 6.036 2.447 1.00 0.56 H new ATOM 0 HG12 VAL A 20 1.112 6.601 2.964 1.00 0.56 H new ATOM 0 HG13 VAL A 20 0.846 6.098 1.278 1.00 0.56 H new ATOM 0 HG21 VAL A 20 -0.888 3.649 1.983 1.00 0.81 H new ATOM 0 HG22 VAL A 20 0.434 3.610 0.792 1.00 0.81 H new ATOM 0 HG23 VAL A 20 0.430 2.466 2.155 1.00 0.81 H new ATOM 312 N PHE A 21 4.096 5.980 2.985 1.00 0.34 N ATOM 313 CA PHE A 21 5.017 6.720 3.823 1.00 0.37 C ATOM 314 C PHE A 21 4.456 8.099 4.181 1.00 0.39 C ATOM 315 O PHE A 21 3.503 8.570 3.557 1.00 0.40 O ATOM 316 CB PHE A 21 6.366 6.832 3.113 1.00 0.40 C ATOM 317 CG PHE A 21 7.030 5.497 2.834 1.00 0.41 C ATOM 318 CD1 PHE A 21 7.660 4.788 3.852 1.00 0.58 C ATOM 319 CD2 PHE A 21 7.055 4.959 1.550 1.00 0.37 C ATOM 320 CE1 PHE A 21 8.288 3.587 3.599 1.00 0.64 C ATOM 321 CE2 PHE A 21 7.693 3.764 1.297 1.00 0.39 C ATOM 322 CZ PHE A 21 8.308 3.078 2.319 1.00 0.51 C ATOM 0 H PHE A 21 4.174 6.183 1.988 1.00 0.34 H new ATOM 0 HA PHE A 21 5.156 6.183 4.761 1.00 0.37 H new ATOM 0 HB2 PHE A 21 6.226 7.360 2.170 1.00 0.40 H new ATOM 0 HB3 PHE A 21 7.036 7.439 3.722 1.00 0.40 H new ATOM 0 HD1 PHE A 21 7.657 5.185 4.856 1.00 0.58 H new ATOM 0 HD2 PHE A 21 6.568 5.485 0.742 1.00 0.37 H new ATOM 0 HE1 PHE A 21 8.764 3.046 4.403 1.00 0.64 H new ATOM 0 HE2 PHE A 21 7.710 3.365 0.294 1.00 0.39 H new ATOM 0 HZ PHE A 21 8.806 2.141 2.118 1.00 0.51 H new ATOM 332 N LYS A 22 5.050 8.737 5.192 1.00 0.44 N ATOM 333 CA LYS A 22 4.586 10.035 5.700 1.00 0.50 C ATOM 334 C LYS A 22 4.631 11.123 4.632 1.00 0.52 C ATOM 335 O LYS A 22 3.879 12.100 4.692 1.00 0.57 O ATOM 336 CB LYS A 22 5.454 10.486 6.877 1.00 0.61 C ATOM 337 CG LYS A 22 5.065 9.909 8.224 1.00 1.37 C ATOM 338 CD LYS A 22 6.101 10.281 9.273 1.00 1.46 C ATOM 339 CE LYS A 22 5.738 9.770 10.653 1.00 2.02 C ATOM 340 NZ LYS A 22 4.549 10.461 11.215 1.00 2.87 N ATOM 0 H LYS A 22 5.866 8.371 5.683 1.00 0.44 H new ATOM 0 HA LYS A 22 3.552 9.894 6.014 1.00 0.50 H new ATOM 0 HB2 LYS A 22 6.489 10.215 6.669 1.00 0.61 H new ATOM 0 HB3 LYS A 22 5.415 11.573 6.941 1.00 0.61 H new ATOM 0 HG2 LYS A 22 4.086 10.285 8.520 1.00 1.37 H new ATOM 0 HG3 LYS A 22 4.982 8.825 8.153 1.00 1.37 H new ATOM 0 HD2 LYS A 22 7.070 9.875 8.982 1.00 1.46 H new ATOM 0 HD3 LYS A 22 6.206 11.365 9.307 1.00 1.46 H new ATOM 0 HE2 LYS A 22 5.543 8.699 10.602 1.00 2.02 H new ATOM 0 HE3 LYS A 22 6.586 9.907 11.324 1.00 2.02 H new ATOM 0 HZ1 LYS A 22 4.410 10.165 12.202 1.00 2.87 H new ATOM 0 HZ2 LYS A 22 4.696 11.490 11.180 1.00 2.87 H new ATOM 0 HZ3 LYS A 22 3.707 10.213 10.657 1.00 2.87 H new ATOM 354 N ASP A 23 5.515 10.954 3.663 1.00 0.54 N ATOM 355 CA ASP A 23 5.743 11.959 2.642 1.00 0.61 C ATOM 356 C ASP A 23 4.834 11.687 1.472 1.00 0.59 C ATOM 357 O ASP A 23 4.882 12.365 0.445 1.00 0.67 O ATOM 358 CB ASP A 23 7.214 11.979 2.204 1.00 0.68 C ATOM 359 CG ASP A 23 7.767 10.604 1.881 1.00 1.29 C ATOM 360 OD1 ASP A 23 6.977 9.725 1.464 1.00 1.97 O ATOM 361 OD2 ASP A 23 8.982 10.386 2.041 1.00 1.91 O ATOM 0 H ASP A 23 6.092 10.119 3.563 1.00 0.54 H new ATOM 0 HA ASP A 23 5.517 12.943 3.052 1.00 0.61 H new ATOM 0 HB2 ASP A 23 7.315 12.618 1.327 1.00 0.68 H new ATOM 0 HB3 ASP A 23 7.815 12.427 2.996 1.00 0.68 H new ATOM 366 N GLY A 24 4.002 10.679 1.647 1.00 0.53 N ATOM 367 CA GLY A 24 2.979 10.399 0.692 1.00 0.53 C ATOM 368 C GLY A 24 3.412 9.445 -0.395 1.00 0.53 C ATOM 369 O GLY A 24 2.615 9.104 -1.267 1.00 0.58 O ATOM 0 H GLY A 24 4.025 10.047 2.447 1.00 0.53 H new ATOM 0 HA2 GLY A 24 2.116 9.980 1.209 1.00 0.53 H new ATOM 0 HA3 GLY A 24 2.654 11.334 0.235 1.00 0.53 H new ATOM 373 N LYS A 25 4.666 9.020 -0.367 1.00 0.50 N ATOM 374 CA LYS A 25 5.138 8.038 -1.323 1.00 0.51 C ATOM 375 C LYS A 25 4.744 6.635 -0.894 1.00 0.42 C ATOM 376 O LYS A 25 4.230 6.425 0.206 1.00 0.41 O ATOM 377 CB LYS A 25 6.648 8.120 -1.487 1.00 0.62 C ATOM 378 CG LYS A 25 7.109 9.354 -2.238 1.00 0.94 C ATOM 379 CD LYS A 25 8.183 10.080 -1.466 1.00 1.49 C ATOM 380 CE LYS A 25 9.357 9.165 -1.154 1.00 1.50 C ATOM 381 NZ LYS A 25 10.328 9.799 -0.228 1.00 1.74 N ATOM 0 H LYS A 25 5.367 9.338 0.302 1.00 0.50 H new ATOM 0 HA LYS A 25 4.669 8.259 -2.282 1.00 0.51 H new ATOM 0 HB2 LYS A 25 7.114 8.109 -0.502 1.00 0.62 H new ATOM 0 HB3 LYS A 25 6.997 7.232 -2.014 1.00 0.62 H new ATOM 0 HG2 LYS A 25 7.490 9.068 -3.218 1.00 0.94 H new ATOM 0 HG3 LYS A 25 6.263 10.020 -2.407 1.00 0.94 H new ATOM 0 HD2 LYS A 25 8.531 10.937 -2.042 1.00 1.49 H new ATOM 0 HD3 LYS A 25 7.766 10.469 -0.537 1.00 1.49 H new ATOM 0 HE2 LYS A 25 8.987 8.239 -0.713 1.00 1.50 H new ATOM 0 HE3 LYS A 25 9.863 8.896 -2.081 1.00 1.50 H new ATOM 0 HZ1 LYS A 25 10.944 9.069 0.183 1.00 1.74 H new ATOM 0 HZ2 LYS A 25 10.907 10.487 -0.750 1.00 1.74 H new ATOM 0 HZ3 LYS A 25 9.814 10.286 0.534 1.00 1.74 H new ATOM 395 N MET A 26 5.007 5.680 -1.765 1.00 0.42 N ATOM 396 CA MET A 26 4.709 4.289 -1.494 1.00 0.41 C ATOM 397 C MET A 26 5.894 3.429 -1.885 1.00 0.42 C ATOM 398 O MET A 26 6.532 3.655 -2.916 1.00 0.49 O ATOM 399 CB MET A 26 3.462 3.804 -2.243 1.00 0.47 C ATOM 400 CG MET A 26 2.159 4.453 -1.796 1.00 0.73 C ATOM 401 SD MET A 26 1.856 6.043 -2.594 1.00 1.07 S ATOM 402 CE MET A 26 1.769 5.536 -4.309 1.00 0.76 C ATOM 0 H MET A 26 5.432 5.847 -2.677 1.00 0.42 H new ATOM 0 HA MET A 26 4.509 4.201 -0.426 1.00 0.41 H new ATOM 0 HB2 MET A 26 3.599 3.991 -3.308 1.00 0.47 H new ATOM 0 HB3 MET A 26 3.376 2.725 -2.118 1.00 0.47 H new ATOM 0 HG2 MET A 26 1.330 3.779 -2.014 1.00 0.73 H new ATOM 0 HG3 MET A 26 2.181 4.593 -0.715 1.00 0.73 H new ATOM 0 HE1 MET A 26 1.158 6.245 -4.867 1.00 0.76 H new ATOM 0 HE2 MET A 26 2.773 5.510 -4.732 1.00 0.76 H new ATOM 0 HE3 MET A 26 1.323 4.544 -4.373 1.00 0.76 H new ATOM 412 N GLY A 27 6.188 2.458 -1.050 1.00 0.39 N ATOM 413 CA GLY A 27 7.294 1.572 -1.302 1.00 0.39 C ATOM 414 C GLY A 27 6.836 0.142 -1.375 1.00 0.32 C ATOM 415 O GLY A 27 6.054 -0.303 -0.539 1.00 0.33 O ATOM 0 H GLY A 27 5.674 2.264 -0.190 1.00 0.39 H new ATOM 0 HA2 GLY A 27 7.781 1.849 -2.237 1.00 0.39 H new ATOM 0 HA3 GLY A 27 8.037 1.679 -0.512 1.00 0.39 H new ATOM 419 N MET A 28 7.306 -0.574 -2.372 1.00 0.28 N ATOM 420 CA MET A 28 6.875 -1.937 -2.593 1.00 0.27 C ATOM 421 C MET A 28 8.034 -2.899 -2.365 1.00 0.26 C ATOM 422 O MET A 28 9.155 -2.647 -2.798 1.00 0.31 O ATOM 423 CB MET A 28 6.310 -2.064 -4.014 1.00 0.34 C ATOM 424 CG MET A 28 5.668 -3.405 -4.339 1.00 0.45 C ATOM 425 SD MET A 28 6.869 -4.672 -4.782 1.00 0.87 S ATOM 426 CE MET A 28 5.774 -6.019 -5.221 1.00 0.72 C ATOM 0 H MET A 28 7.991 -0.233 -3.046 1.00 0.28 H new ATOM 0 HA MET A 28 6.089 -2.196 -1.883 1.00 0.27 H new ATOM 0 HB2 MET A 28 5.569 -1.279 -4.165 1.00 0.34 H new ATOM 0 HB3 MET A 28 7.116 -1.883 -4.726 1.00 0.34 H new ATOM 0 HG2 MET A 28 5.092 -3.744 -3.478 1.00 0.45 H new ATOM 0 HG3 MET A 28 4.965 -3.275 -5.162 1.00 0.45 H new ATOM 0 HE1 MET A 28 6.164 -6.952 -4.815 1.00 0.72 H new ATOM 0 HE2 MET A 28 4.782 -5.831 -4.809 1.00 0.72 H new ATOM 0 HE3 MET A 28 5.708 -6.095 -6.306 1.00 0.72 H new ATOM 436 N GLU A 29 7.756 -3.970 -1.645 1.00 0.24 N ATOM 437 CA GLU A 29 8.716 -5.034 -1.417 1.00 0.26 C ATOM 438 C GLU A 29 8.099 -6.360 -1.818 1.00 0.27 C ATOM 439 O GLU A 29 6.891 -6.526 -1.723 1.00 0.29 O ATOM 440 CB GLU A 29 9.142 -5.084 0.056 1.00 0.34 C ATOM 441 CG GLU A 29 10.179 -4.038 0.422 1.00 0.47 C ATOM 442 CD GLU A 29 10.481 -4.009 1.905 1.00 0.56 C ATOM 443 OE1 GLU A 29 10.912 -5.046 2.449 1.00 1.14 O ATOM 444 OE2 GLU A 29 10.301 -2.947 2.532 1.00 0.68 O ATOM 0 H GLU A 29 6.852 -4.127 -1.199 1.00 0.24 H new ATOM 0 HA GLU A 29 9.602 -4.839 -2.021 1.00 0.26 H new ATOM 0 HB2 GLU A 29 8.262 -4.948 0.685 1.00 0.34 H new ATOM 0 HB3 GLU A 29 9.542 -6.074 0.277 1.00 0.34 H new ATOM 0 HG2 GLU A 29 11.099 -4.236 -0.128 1.00 0.47 H new ATOM 0 HG3 GLU A 29 9.825 -3.056 0.108 1.00 0.47 H new ATOM 451 N ASN A 30 8.914 -7.282 -2.286 1.00 0.32 N ATOM 452 CA ASN A 30 8.426 -8.607 -2.648 1.00 0.39 C ATOM 453 C ASN A 30 8.410 -9.504 -1.413 1.00 0.42 C ATOM 454 O ASN A 30 8.899 -9.108 -0.355 1.00 0.42 O ATOM 455 CB ASN A 30 9.302 -9.218 -3.753 1.00 0.47 C ATOM 456 CG ASN A 30 10.693 -9.602 -3.279 1.00 0.79 C ATOM 457 OD1 ASN A 30 11.199 -9.077 -2.286 1.00 1.41 O ATOM 458 ND2 ASN A 30 11.332 -10.502 -4.004 1.00 1.12 N ATOM 0 H ASN A 30 9.915 -7.145 -2.426 1.00 0.32 H new ATOM 0 HA ASN A 30 7.410 -8.520 -3.033 1.00 0.39 H new ATOM 0 HB2 ASN A 30 8.806 -10.102 -4.152 1.00 0.47 H new ATOM 0 HB3 ASN A 30 9.390 -8.505 -4.572 1.00 0.47 H new ATOM 0 HD21 ASN A 30 12.278 -10.785 -3.748 1.00 1.12 H new ATOM 0 HD22 ASN A 30 10.879 -10.914 -4.820 1.00 1.12 H new ATOM 465 N LYS A 31 7.825 -10.691 -1.536 1.00 0.48 N ATOM 466 CA LYS A 31 7.810 -11.681 -0.446 1.00 0.54 C ATOM 467 C LYS A 31 9.208 -12.114 0.024 1.00 0.58 C ATOM 468 O LYS A 31 9.335 -13.002 0.866 1.00 0.69 O ATOM 469 CB LYS A 31 6.999 -12.899 -0.875 1.00 0.62 C ATOM 470 CG LYS A 31 7.424 -13.490 -2.207 1.00 0.66 C ATOM 471 CD LYS A 31 6.399 -14.491 -2.705 1.00 0.78 C ATOM 472 CE LYS A 31 6.602 -14.832 -4.170 1.00 1.32 C ATOM 473 NZ LYS A 31 5.485 -15.655 -4.706 1.00 1.77 N ATOM 0 H LYS A 31 7.349 -11.000 -2.384 1.00 0.48 H new ATOM 0 HA LYS A 31 7.346 -11.192 0.411 1.00 0.54 H new ATOM 0 HB2 LYS A 31 7.083 -13.667 -0.106 1.00 0.62 H new ATOM 0 HB3 LYS A 31 5.947 -12.619 -0.933 1.00 0.62 H new ATOM 0 HG2 LYS A 31 7.547 -12.693 -2.941 1.00 0.66 H new ATOM 0 HG3 LYS A 31 8.393 -13.978 -2.101 1.00 0.66 H new ATOM 0 HD2 LYS A 31 6.462 -15.401 -2.109 1.00 0.78 H new ATOM 0 HD3 LYS A 31 5.397 -14.085 -2.563 1.00 0.78 H new ATOM 0 HE2 LYS A 31 6.686 -13.912 -4.749 1.00 1.32 H new ATOM 0 HE3 LYS A 31 7.541 -15.372 -4.291 1.00 1.32 H new ATOM 0 HZ1 LYS A 31 5.481 -15.600 -5.745 1.00 1.77 H new ATOM 0 HZ2 LYS A 31 5.611 -16.645 -4.412 1.00 1.77 H new ATOM 0 HZ3 LYS A 31 4.581 -15.296 -4.337 1.00 1.77 H new ATOM 487 N PHE A 32 10.243 -11.488 -0.509 1.00 0.58 N ATOM 488 CA PHE A 32 11.606 -11.764 -0.091 1.00 0.63 C ATOM 489 C PHE A 32 12.185 -10.543 0.612 1.00 0.56 C ATOM 490 O PHE A 32 13.347 -10.528 1.013 1.00 0.62 O ATOM 491 CB PHE A 32 12.466 -12.181 -1.289 1.00 0.69 C ATOM 492 CG PHE A 32 12.030 -13.489 -1.898 1.00 0.80 C ATOM 493 CD1 PHE A 32 11.057 -13.523 -2.886 1.00 0.83 C ATOM 494 CD2 PHE A 32 12.583 -14.683 -1.470 1.00 0.95 C ATOM 495 CE1 PHE A 32 10.649 -14.723 -3.437 1.00 0.96 C ATOM 496 CE2 PHE A 32 12.178 -15.885 -2.016 1.00 1.08 C ATOM 497 CZ PHE A 32 11.210 -15.905 -3.000 1.00 1.07 C ATOM 0 H PHE A 32 10.163 -10.779 -1.238 1.00 0.58 H new ATOM 0 HA PHE A 32 11.603 -12.597 0.613 1.00 0.63 H new ATOM 0 HB2 PHE A 32 12.424 -11.401 -2.049 1.00 0.69 H new ATOM 0 HB3 PHE A 32 13.506 -12.262 -0.972 1.00 0.69 H new ATOM 0 HD1 PHE A 32 10.613 -12.600 -3.229 1.00 0.83 H new ATOM 0 HD2 PHE A 32 13.340 -14.675 -0.700 1.00 0.95 H new ATOM 0 HE1 PHE A 32 9.893 -14.735 -4.208 1.00 0.96 H new ATOM 0 HE2 PHE A 32 12.619 -16.810 -1.673 1.00 1.08 H new ATOM 0 HZ PHE A 32 10.892 -16.845 -3.427 1.00 1.07 H new ATOM 507 N GLY A 33 11.351 -9.517 0.771 1.00 0.49 N ATOM 508 CA GLY A 33 11.730 -8.364 1.552 1.00 0.49 C ATOM 509 C GLY A 33 12.647 -7.409 0.821 1.00 0.45 C ATOM 510 O GLY A 33 13.395 -6.666 1.454 1.00 0.54 O ATOM 0 H GLY A 33 10.415 -9.470 0.368 1.00 0.49 H new ATOM 0 HA2 GLY A 33 10.830 -7.829 1.855 1.00 0.49 H new ATOM 0 HA3 GLY A 33 12.223 -8.700 2.464 1.00 0.49 H new ATOM 514 N LYS A 34 12.618 -7.435 -0.501 1.00 0.42 N ATOM 515 CA LYS A 34 13.410 -6.487 -1.273 1.00 0.52 C ATOM 516 C LYS A 34 12.504 -5.515 -2.013 1.00 0.38 C ATOM 517 O LYS A 34 11.421 -5.878 -2.473 1.00 0.72 O ATOM 518 CB LYS A 34 14.388 -7.203 -2.225 1.00 0.85 C ATOM 519 CG LYS A 34 13.761 -7.875 -3.439 1.00 1.17 C ATOM 520 CD LYS A 34 13.577 -6.904 -4.598 1.00 1.92 C ATOM 521 CE LYS A 34 14.906 -6.331 -5.066 1.00 2.73 C ATOM 522 NZ LYS A 34 14.731 -5.339 -6.160 1.00 3.25 N ATOM 0 H LYS A 34 12.066 -8.089 -1.056 1.00 0.42 H new ATOM 0 HA LYS A 34 14.021 -5.911 -0.578 1.00 0.52 H new ATOM 0 HB2 LYS A 34 15.122 -6.477 -2.574 1.00 0.85 H new ATOM 0 HB3 LYS A 34 14.932 -7.957 -1.656 1.00 0.85 H new ATOM 0 HG2 LYS A 34 14.390 -8.706 -3.759 1.00 1.17 H new ATOM 0 HG3 LYS A 34 12.794 -8.296 -3.162 1.00 1.17 H new ATOM 0 HD2 LYS A 34 13.088 -7.415 -5.427 1.00 1.92 H new ATOM 0 HD3 LYS A 34 12.918 -6.092 -4.292 1.00 1.92 H new ATOM 0 HE2 LYS A 34 15.413 -5.858 -4.225 1.00 2.73 H new ATOM 0 HE3 LYS A 34 15.549 -7.141 -5.411 1.00 2.73 H new ATOM 0 HZ1 LYS A 34 15.664 -5.037 -6.507 1.00 3.25 H new ATOM 0 HZ2 LYS A 34 14.196 -5.772 -6.939 1.00 3.25 H new ATOM 0 HZ3 LYS A 34 14.211 -4.513 -5.800 1.00 3.25 H new ATOM 536 N SER A 35 12.969 -4.286 -2.122 1.00 0.46 N ATOM 537 CA SER A 35 12.170 -3.204 -2.670 1.00 0.48 C ATOM 538 C SER A 35 12.129 -3.254 -4.198 1.00 0.58 C ATOM 539 O SER A 35 13.142 -3.502 -4.854 1.00 0.74 O ATOM 540 CB SER A 35 12.719 -1.855 -2.192 1.00 0.69 C ATOM 541 OG SER A 35 11.882 -0.782 -2.596 1.00 1.55 O ATOM 0 H SER A 35 13.908 -4.008 -1.835 1.00 0.46 H new ATOM 0 HA SER A 35 11.148 -3.323 -2.311 1.00 0.48 H new ATOM 0 HB2 SER A 35 12.807 -1.861 -1.106 1.00 0.69 H new ATOM 0 HB3 SER A 35 13.722 -1.706 -2.592 1.00 0.69 H new ATOM 0 HG SER A 35 10.968 -1.111 -2.727 1.00 1.55 H new ATOM 547 N MET A 36 10.944 -3.041 -4.747 1.00 0.58 N ATOM 548 CA MET A 36 10.757 -2.900 -6.180 1.00 0.76 C ATOM 549 C MET A 36 9.864 -1.694 -6.449 1.00 0.87 C ATOM 550 O MET A 36 9.360 -1.068 -5.514 1.00 0.94 O ATOM 551 CB MET A 36 10.139 -4.163 -6.796 1.00 0.81 C ATOM 552 CG MET A 36 11.042 -5.384 -6.730 1.00 1.07 C ATOM 553 SD MET A 36 10.397 -6.794 -7.657 1.00 1.38 S ATOM 554 CE MET A 36 8.813 -7.048 -6.859 1.00 1.15 C ATOM 0 H MET A 36 10.082 -2.961 -4.208 1.00 0.58 H new ATOM 0 HA MET A 36 11.732 -2.754 -6.644 1.00 0.76 H new ATOM 0 HB2 MET A 36 9.204 -4.386 -6.282 1.00 0.81 H new ATOM 0 HB3 MET A 36 9.890 -3.963 -7.838 1.00 0.81 H new ATOM 0 HG2 MET A 36 12.026 -5.122 -7.118 1.00 1.07 H new ATOM 0 HG3 MET A 36 11.176 -5.673 -5.688 1.00 1.07 H new ATOM 0 HE1 MET A 36 8.596 -8.115 -6.813 1.00 1.15 H new ATOM 0 HE2 MET A 36 8.845 -6.640 -5.849 1.00 1.15 H new ATOM 0 HE3 MET A 36 8.033 -6.543 -7.429 1.00 1.15 H new ATOM 564 N ASN A 37 9.678 -1.367 -7.716 1.00 1.03 N ATOM 565 CA ASN A 37 8.856 -0.225 -8.090 1.00 1.17 C ATOM 566 C ASN A 37 7.442 -0.670 -8.424 1.00 0.99 C ATOM 567 O ASN A 37 7.238 -1.707 -9.057 1.00 1.03 O ATOM 568 CB ASN A 37 9.477 0.523 -9.271 1.00 1.55 C ATOM 569 CG ASN A 37 10.816 1.146 -8.919 1.00 2.18 C ATOM 570 OD1 ASN A 37 11.706 1.257 -9.763 1.00 2.78 O ATOM 571 ND2 ASN A 37 10.967 1.572 -7.674 1.00 2.51 N ATOM 0 H ASN A 37 10.083 -1.874 -8.503 1.00 1.03 H new ATOM 0 HA ASN A 37 8.810 0.455 -7.240 1.00 1.17 H new ATOM 0 HB2 ASN A 37 9.607 -0.165 -10.106 1.00 1.55 H new ATOM 0 HB3 ASN A 37 8.792 1.303 -9.605 1.00 1.55 H new ATOM 0 HD21 ASN A 37 11.843 2.009 -7.387 1.00 2.51 H new ATOM 0 HD22 ASN A 37 10.207 1.463 -7.002 1.00 2.51 H new ATOM 578 N MET A 38 6.472 0.126 -8.002 1.00 1.01 N ATOM 579 CA MET A 38 5.068 -0.215 -8.162 1.00 0.99 C ATOM 580 C MET A 38 4.493 0.423 -9.417 1.00 0.86 C ATOM 581 O MET A 38 4.534 1.642 -9.582 1.00 0.81 O ATOM 582 CB MET A 38 4.274 0.235 -6.934 1.00 1.23 C ATOM 583 CG MET A 38 2.779 -0.020 -7.041 1.00 0.95 C ATOM 584 SD MET A 38 1.881 0.500 -5.567 1.00 1.15 S ATOM 585 CE MET A 38 2.650 -0.530 -4.324 1.00 1.32 C ATOM 0 H MET A 38 6.635 1.022 -7.542 1.00 1.01 H new ATOM 0 HA MET A 38 4.989 -1.298 -8.262 1.00 0.99 H new ATOM 0 HB2 MET A 38 4.659 -0.282 -6.055 1.00 1.23 H new ATOM 0 HB3 MET A 38 4.441 1.301 -6.776 1.00 1.23 H new ATOM 0 HG2 MET A 38 2.385 0.510 -7.908 1.00 0.95 H new ATOM 0 HG3 MET A 38 2.607 -1.083 -7.211 1.00 0.95 H new ATOM 0 HE1 MET A 38 1.884 -0.934 -3.662 1.00 1.32 H new ATOM 0 HE2 MET A 38 3.180 -1.350 -4.808 1.00 1.32 H new ATOM 0 HE3 MET A 38 3.355 0.065 -3.743 1.00 1.32 H new ATOM 595 N PRO A 39 3.969 -0.403 -10.330 1.00 0.92 N ATOM 596 CA PRO A 39 3.316 0.083 -11.541 1.00 0.91 C ATOM 597 C PRO A 39 1.924 0.649 -11.262 1.00 0.76 C ATOM 598 O PRO A 39 1.070 -0.022 -10.674 1.00 0.83 O ATOM 599 CB PRO A 39 3.230 -1.163 -12.419 1.00 1.16 C ATOM 600 CG PRO A 39 3.201 -2.305 -11.465 1.00 1.24 C ATOM 601 CD PRO A 39 4.001 -1.877 -10.266 1.00 1.13 C ATOM 0 HA PRO A 39 3.864 0.905 -12.002 1.00 0.91 H new ATOM 0 HB2 PRO A 39 2.336 -1.146 -13.042 1.00 1.16 H new ATOM 0 HB3 PRO A 39 4.085 -1.232 -13.091 1.00 1.16 H new ATOM 0 HG2 PRO A 39 2.177 -2.549 -11.182 1.00 1.24 H new ATOM 0 HG3 PRO A 39 3.628 -3.200 -11.917 1.00 1.24 H new ATOM 0 HD2 PRO A 39 3.562 -2.247 -9.339 1.00 1.13 H new ATOM 0 HD3 PRO A 39 5.022 -2.257 -10.309 1.00 1.13 H new ATOM 609 N GLU A 40 1.707 1.890 -11.680 1.00 0.77 N ATOM 610 CA GLU A 40 0.418 2.547 -11.512 1.00 0.69 C ATOM 611 C GLU A 40 -0.650 1.864 -12.368 1.00 0.73 C ATOM 612 O GLU A 40 -0.372 1.423 -13.488 1.00 1.09 O ATOM 613 CB GLU A 40 0.527 4.028 -11.891 1.00 0.76 C ATOM 614 CG GLU A 40 -0.772 4.798 -11.728 1.00 0.72 C ATOM 615 CD GLU A 40 -0.655 6.246 -12.147 1.00 0.94 C ATOM 616 OE1 GLU A 40 -0.745 6.523 -13.359 1.00 1.15 O ATOM 617 OE2 GLU A 40 -0.501 7.114 -11.267 1.00 1.09 O ATOM 0 H GLU A 40 2.413 2.464 -12.141 1.00 0.77 H new ATOM 0 HA GLU A 40 0.125 2.469 -10.465 1.00 0.69 H new ATOM 0 HB2 GLU A 40 1.296 4.496 -11.276 1.00 0.76 H new ATOM 0 HB3 GLU A 40 0.857 4.105 -12.927 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -1.551 4.316 -12.319 1.00 0.72 H new ATOM 0 HG3 GLU A 40 -1.088 4.751 -10.686 1.00 0.72 H new ATOM 624 N GLY A 41 -1.862 1.758 -11.831 1.00 0.64 N ATOM 625 CA GLY A 41 -2.961 1.180 -12.582 1.00 0.66 C ATOM 626 C GLY A 41 -3.262 -0.248 -12.178 1.00 0.62 C ATOM 627 O GLY A 41 -4.197 -0.861 -12.692 1.00 0.68 O ATOM 0 H GLY A 41 -2.102 2.063 -10.888 1.00 0.64 H new ATOM 0 HA2 GLY A 41 -3.853 1.789 -12.438 1.00 0.66 H new ATOM 0 HA3 GLY A 41 -2.723 1.209 -13.645 1.00 0.66 H new ATOM 631 N LYS A 42 -2.469 -0.786 -11.263 1.00 0.59 N ATOM 632 CA LYS A 42 -2.657 -2.159 -10.806 1.00 0.59 C ATOM 633 C LYS A 42 -3.374 -2.204 -9.464 1.00 0.52 C ATOM 634 O LYS A 42 -2.892 -1.629 -8.487 1.00 0.54 O ATOM 635 CB LYS A 42 -1.307 -2.850 -10.642 1.00 0.67 C ATOM 636 CG LYS A 42 -0.415 -2.847 -11.881 1.00 0.85 C ATOM 637 CD LYS A 42 -0.978 -3.696 -13.012 1.00 1.45 C ATOM 638 CE LYS A 42 -1.918 -2.899 -13.901 1.00 1.85 C ATOM 639 NZ LYS A 42 -2.468 -3.722 -15.008 1.00 2.30 N ATOM 0 H LYS A 42 -1.691 -0.296 -10.822 1.00 0.59 H new ATOM 0 HA LYS A 42 -3.260 -2.668 -11.557 1.00 0.59 H new ATOM 0 HB2 LYS A 42 -0.768 -2.368 -9.826 1.00 0.67 H new ATOM 0 HB3 LYS A 42 -1.481 -3.884 -10.343 1.00 0.67 H new ATOM 0 HG2 LYS A 42 -0.288 -1.822 -12.230 1.00 0.85 H new ATOM 0 HG3 LYS A 42 0.574 -3.217 -11.612 1.00 0.85 H new ATOM 0 HD2 LYS A 42 -0.159 -4.092 -13.612 1.00 1.45 H new ATOM 0 HD3 LYS A 42 -1.510 -4.551 -12.595 1.00 1.45 H new ATOM 0 HE2 LYS A 42 -2.738 -2.505 -13.300 1.00 1.85 H new ATOM 0 HE3 LYS A 42 -1.386 -2.043 -14.316 1.00 1.85 H new ATOM 0 HZ1 LYS A 42 -3.104 -3.140 -15.590 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -1.688 -4.078 -15.597 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -2.998 -4.525 -14.613 1.00 2.30 H new ATOM 653 N VAL A 43 -4.506 -2.896 -9.403 1.00 0.48 N ATOM 654 CA VAL A 43 -5.160 -3.120 -8.125 1.00 0.45 C ATOM 655 C VAL A 43 -4.702 -4.463 -7.558 1.00 0.39 C ATOM 656 O VAL A 43 -4.784 -5.504 -8.213 1.00 0.46 O ATOM 657 CB VAL A 43 -6.716 -3.005 -8.189 1.00 0.54 C ATOM 658 CG1 VAL A 43 -7.371 -4.174 -8.894 1.00 0.69 C ATOM 659 CG2 VAL A 43 -7.301 -2.851 -6.794 1.00 0.93 C ATOM 0 H VAL A 43 -4.981 -3.304 -10.209 1.00 0.48 H new ATOM 0 HA VAL A 43 -4.857 -2.320 -7.450 1.00 0.45 H new ATOM 0 HB VAL A 43 -6.930 -2.114 -8.779 1.00 0.54 H new ATOM 0 HG11 VAL A 43 -8.452 -4.033 -8.905 1.00 0.69 H new ATOM 0 HG12 VAL A 43 -7.003 -4.234 -9.918 1.00 0.69 H new ATOM 0 HG13 VAL A 43 -7.130 -5.098 -8.367 1.00 0.69 H new ATOM 0 HG21 VAL A 43 -8.386 -2.773 -6.861 1.00 0.93 H new ATOM 0 HG22 VAL A 43 -7.037 -3.719 -6.191 1.00 0.93 H new ATOM 0 HG23 VAL A 43 -6.900 -1.950 -6.329 1.00 0.93 H new ATOM 669 N MET A 44 -4.182 -4.417 -6.347 1.00 0.35 N ATOM 670 CA MET A 44 -3.567 -5.568 -5.711 1.00 0.36 C ATOM 671 C MET A 44 -4.362 -5.940 -4.473 1.00 0.34 C ATOM 672 O MET A 44 -4.947 -5.074 -3.827 1.00 0.39 O ATOM 673 CB MET A 44 -2.119 -5.246 -5.334 1.00 0.46 C ATOM 674 CG MET A 44 -1.276 -4.782 -6.509 1.00 0.76 C ATOM 675 SD MET A 44 0.372 -4.237 -6.021 1.00 1.31 S ATOM 676 CE MET A 44 1.043 -3.721 -7.601 1.00 1.20 C ATOM 0 H MET A 44 -4.174 -3.575 -5.772 1.00 0.35 H new ATOM 0 HA MET A 44 -3.565 -6.410 -6.404 1.00 0.36 H new ATOM 0 HB2 MET A 44 -2.115 -4.472 -4.566 1.00 0.46 H new ATOM 0 HB3 MET A 44 -1.660 -6.132 -4.895 1.00 0.46 H new ATOM 0 HG2 MET A 44 -1.185 -5.596 -7.228 1.00 0.76 H new ATOM 0 HG3 MET A 44 -1.788 -3.964 -7.016 1.00 0.76 H new ATOM 0 HE1 MET A 44 2.110 -3.526 -7.497 1.00 1.20 H new ATOM 0 HE2 MET A 44 0.888 -4.510 -8.337 1.00 1.20 H new ATOM 0 HE3 MET A 44 0.539 -2.813 -7.931 1.00 1.20 H new ATOM 686 N GLU A 45 -4.395 -7.217 -4.147 1.00 0.31 N ATOM 687 CA GLU A 45 -5.195 -7.684 -3.048 1.00 0.34 C ATOM 688 C GLU A 45 -4.320 -7.963 -1.827 1.00 0.30 C ATOM 689 O GLU A 45 -3.122 -8.209 -1.950 1.00 0.35 O ATOM 690 CB GLU A 45 -5.957 -8.922 -3.504 1.00 0.47 C ATOM 691 CG GLU A 45 -7.043 -9.350 -2.556 1.00 0.99 C ATOM 692 CD GLU A 45 -7.983 -10.352 -3.181 1.00 1.17 C ATOM 693 OE1 GLU A 45 -8.813 -9.959 -4.022 1.00 1.43 O ATOM 694 OE2 GLU A 45 -7.889 -11.549 -2.831 1.00 1.64 O ATOM 0 H GLU A 45 -3.873 -7.946 -4.633 1.00 0.31 H new ATOM 0 HA GLU A 45 -5.912 -6.920 -2.746 1.00 0.34 H new ATOM 0 HB2 GLU A 45 -6.397 -8.726 -4.482 1.00 0.47 H new ATOM 0 HB3 GLU A 45 -5.253 -9.744 -3.630 1.00 0.47 H new ATOM 0 HG2 GLU A 45 -6.593 -9.784 -1.663 1.00 0.99 H new ATOM 0 HG3 GLU A 45 -7.608 -8.475 -2.235 1.00 0.99 H new ATOM 701 N THR A 46 -4.935 -7.913 -0.656 1.00 0.29 N ATOM 702 CA THR A 46 -4.224 -8.076 0.600 1.00 0.31 C ATOM 703 C THR A 46 -4.473 -9.459 1.192 1.00 0.39 C ATOM 704 O THR A 46 -5.406 -10.157 0.785 1.00 0.49 O ATOM 705 CB THR A 46 -4.644 -7.009 1.625 1.00 0.42 C ATOM 706 OG1 THR A 46 -6.043 -7.130 1.913 1.00 0.53 O ATOM 707 CG2 THR A 46 -4.346 -5.606 1.110 1.00 0.50 C ATOM 0 H THR A 46 -5.938 -7.759 -0.550 1.00 0.29 H new ATOM 0 HA THR A 46 -3.162 -7.960 0.382 1.00 0.31 H new ATOM 0 HB THR A 46 -4.068 -7.171 2.536 1.00 0.42 H new ATOM 0 HG1 THR A 46 -6.208 -6.876 2.845 1.00 0.53 H new ATOM 0 HG21 THR A 46 -4.653 -4.872 1.855 1.00 0.50 H new ATOM 0 HG22 THR A 46 -3.277 -5.507 0.922 1.00 0.50 H new ATOM 0 HG23 THR A 46 -4.895 -5.434 0.184 1.00 0.50 H new ATOM 715 N ARG A 47 -3.625 -9.851 2.142 1.00 0.39 N ATOM 716 CA ARG A 47 -3.762 -11.128 2.853 1.00 0.51 C ATOM 717 C ARG A 47 -5.156 -11.371 3.409 1.00 0.72 C ATOM 718 O ARG A 47 -5.593 -12.519 3.519 1.00 0.92 O ATOM 719 CB ARG A 47 -2.763 -11.211 3.997 1.00 0.54 C ATOM 720 CG ARG A 47 -2.490 -9.895 4.701 1.00 0.95 C ATOM 721 CD ARG A 47 -1.743 -10.132 5.999 1.00 1.27 C ATOM 722 NE ARG A 47 -0.836 -9.037 6.336 1.00 2.09 N ATOM 723 CZ ARG A 47 -0.859 -8.357 7.481 1.00 2.77 C ATOM 724 NH1 ARG A 47 -1.819 -8.567 8.373 1.00 2.94 N ATOM 725 NH2 ARG A 47 0.083 -7.458 7.724 1.00 3.73 N ATOM 0 H ARG A 47 -2.824 -9.296 2.442 1.00 0.39 H new ATOM 0 HA ARG A 47 -3.566 -11.899 2.108 1.00 0.51 H new ATOM 0 HB2 ARG A 47 -3.130 -11.929 4.730 1.00 0.54 H new ATOM 0 HB3 ARG A 47 -1.822 -11.602 3.611 1.00 0.54 H new ATOM 0 HG2 ARG A 47 -1.905 -9.243 4.052 1.00 0.95 H new ATOM 0 HG3 ARG A 47 -3.430 -9.383 4.904 1.00 0.95 H new ATOM 0 HD2 ARG A 47 -2.462 -10.265 6.808 1.00 1.27 H new ATOM 0 HD3 ARG A 47 -1.174 -11.059 5.922 1.00 1.27 H new ATOM 0 HE ARG A 47 -0.134 -8.774 5.644 1.00 2.09 H new ATOM 0 HH11 ARG A 47 -2.549 -9.255 8.185 1.00 2.94 H new ATOM 0 HH12 ARG A 47 -1.827 -8.041 9.247 1.00 2.94 H new ATOM 0 HH21 ARG A 47 0.818 -7.291 7.037 1.00 3.73 H new ATOM 0 HH22 ARG A 47 0.073 -6.933 8.598 1.00 3.73 H new ATOM 739 N ASP A 48 -5.844 -10.305 3.751 1.00 0.78 N ATOM 740 CA ASP A 48 -7.148 -10.420 4.383 1.00 1.06 C ATOM 741 C ASP A 48 -8.267 -10.442 3.346 1.00 1.04 C ATOM 742 O ASP A 48 -9.305 -11.070 3.558 1.00 1.45 O ATOM 743 CB ASP A 48 -7.356 -9.277 5.377 1.00 1.30 C ATOM 744 CG ASP A 48 -7.268 -7.919 4.725 1.00 1.83 C ATOM 745 OD1 ASP A 48 -6.139 -7.413 4.551 1.00 2.70 O ATOM 746 OD2 ASP A 48 -8.320 -7.354 4.367 1.00 1.79 O ATOM 0 H ASP A 48 -5.526 -9.347 3.604 1.00 0.78 H new ATOM 0 HA ASP A 48 -7.180 -11.366 4.924 1.00 1.06 H new ATOM 0 HB2 ASP A 48 -8.331 -9.386 5.851 1.00 1.30 H new ATOM 0 HB3 ASP A 48 -6.608 -9.346 6.167 1.00 1.30 H new ATOM 751 N GLY A 49 -8.061 -9.761 2.224 1.00 0.68 N ATOM 752 CA GLY A 49 -9.034 -9.811 1.154 1.00 0.72 C ATOM 753 C GLY A 49 -9.450 -8.440 0.657 1.00 0.70 C ATOM 754 O GLY A 49 -10.481 -8.301 -0.003 1.00 0.77 O ATOM 0 H GLY A 49 -7.243 -9.180 2.039 1.00 0.68 H new ATOM 0 HA2 GLY A 49 -8.620 -10.381 0.322 1.00 0.72 H new ATOM 0 HA3 GLY A 49 -9.917 -10.348 1.500 1.00 0.72 H new ATOM 758 N THR A 50 -8.642 -7.427 0.929 1.00 0.65 N ATOM 759 CA THR A 50 -8.961 -6.068 0.529 1.00 0.69 C ATOM 760 C THR A 50 -8.175 -5.722 -0.737 1.00 0.55 C ATOM 761 O THR A 50 -7.190 -6.388 -1.048 1.00 0.52 O ATOM 762 CB THR A 50 -8.616 -5.075 1.661 1.00 0.83 C ATOM 763 OG1 THR A 50 -9.282 -5.465 2.867 1.00 1.25 O ATOM 764 CG2 THR A 50 -9.032 -3.660 1.307 1.00 1.35 C ATOM 0 H THR A 50 -7.757 -7.523 1.427 1.00 0.65 H new ATOM 0 HA THR A 50 -10.030 -5.993 0.327 1.00 0.69 H new ATOM 0 HB THR A 50 -7.535 -5.095 1.800 1.00 0.83 H new ATOM 0 HG1 THR A 50 -8.930 -6.327 3.171 1.00 1.25 H new ATOM 0 HG21 THR A 50 -8.774 -2.989 2.126 1.00 1.35 H new ATOM 0 HG22 THR A 50 -8.513 -3.344 0.402 1.00 1.35 H new ATOM 0 HG23 THR A 50 -10.108 -3.629 1.138 1.00 1.35 H new ATOM 772 N LYS A 51 -8.612 -4.713 -1.480 1.00 0.53 N ATOM 773 CA LYS A 51 -7.945 -4.353 -2.725 1.00 0.52 C ATOM 774 C LYS A 51 -7.369 -2.941 -2.637 1.00 0.51 C ATOM 775 O LYS A 51 -7.991 -2.041 -2.066 1.00 0.56 O ATOM 776 CB LYS A 51 -8.910 -4.463 -3.914 1.00 0.59 C ATOM 777 CG LYS A 51 -9.575 -5.830 -4.060 1.00 0.67 C ATOM 778 CD LYS A 51 -10.821 -5.948 -3.190 1.00 1.19 C ATOM 779 CE LYS A 51 -11.532 -7.278 -3.379 1.00 1.26 C ATOM 780 NZ LYS A 51 -10.779 -8.417 -2.788 1.00 1.84 N ATOM 0 H LYS A 51 -9.418 -4.134 -1.245 1.00 0.53 H new ATOM 0 HA LYS A 51 -7.125 -5.053 -2.884 1.00 0.52 H new ATOM 0 HB2 LYS A 51 -9.685 -3.704 -3.809 1.00 0.59 H new ATOM 0 HB3 LYS A 51 -8.365 -4.237 -4.831 1.00 0.59 H new ATOM 0 HG2 LYS A 51 -9.843 -5.994 -5.104 1.00 0.67 H new ATOM 0 HG3 LYS A 51 -8.865 -6.611 -3.787 1.00 0.67 H new ATOM 0 HD2 LYS A 51 -10.542 -5.833 -2.143 1.00 1.19 H new ATOM 0 HD3 LYS A 51 -11.507 -5.135 -3.429 1.00 1.19 H new ATOM 0 HE2 LYS A 51 -12.521 -7.225 -2.924 1.00 1.26 H new ATOM 0 HE3 LYS A 51 -11.681 -7.459 -4.444 1.00 1.26 H new ATOM 0 HZ1 LYS A 51 -11.371 -9.272 -2.807 1.00 1.84 H new ATOM 0 HZ2 LYS A 51 -9.913 -8.583 -3.339 1.00 1.84 H new ATOM 0 HZ3 LYS A 51 -10.526 -8.193 -1.804 1.00 1.84 H new ATOM 794 N ILE A 52 -6.166 -2.766 -3.169 1.00 0.47 N ATOM 795 CA ILE A 52 -5.488 -1.472 -3.172 1.00 0.46 C ATOM 796 C ILE A 52 -4.926 -1.184 -4.574 1.00 0.46 C ATOM 797 O ILE A 52 -4.716 -2.105 -5.342 1.00 0.52 O ATOM 798 CB ILE A 52 -4.306 -1.452 -2.163 1.00 0.48 C ATOM 799 CG1 ILE A 52 -3.127 -2.284 -2.685 1.00 0.49 C ATOM 800 CG2 ILE A 52 -4.753 -1.984 -0.813 1.00 0.66 C ATOM 801 CD1 ILE A 52 -1.900 -2.231 -1.800 1.00 0.51 C ATOM 0 H ILE A 52 -5.632 -3.515 -3.610 1.00 0.47 H new ATOM 0 HA ILE A 52 -6.218 -0.716 -2.885 1.00 0.46 H new ATOM 0 HB ILE A 52 -3.979 -0.419 -2.049 1.00 0.48 H new ATOM 0 HG12 ILE A 52 -3.444 -3.322 -2.788 1.00 0.49 H new ATOM 0 HG13 ILE A 52 -2.860 -1.932 -3.682 1.00 0.49 H new ATOM 0 HG21 ILE A 52 -3.914 -1.963 -0.118 1.00 0.66 H new ATOM 0 HG22 ILE A 52 -5.560 -1.362 -0.426 1.00 0.66 H new ATOM 0 HG23 ILE A 52 -5.106 -3.009 -0.925 1.00 0.66 H new ATOM 0 HD11 ILE A 52 -1.111 -2.843 -2.236 1.00 0.51 H new ATOM 0 HD12 ILE A 52 -1.556 -1.200 -1.717 1.00 0.51 H new ATOM 0 HD13 ILE A 52 -2.149 -2.611 -0.809 1.00 0.51 H new ATOM 813 N ILE A 53 -4.672 0.076 -4.903 1.00 0.42 N ATOM 814 CA ILE A 53 -4.036 0.417 -6.191 1.00 0.41 C ATOM 815 C ILE A 53 -3.371 1.783 -6.147 1.00 0.42 C ATOM 816 O ILE A 53 -3.883 2.719 -5.549 1.00 0.44 O ATOM 817 CB ILE A 53 -5.009 0.375 -7.419 1.00 0.40 C ATOM 818 CG1 ILE A 53 -4.394 1.093 -8.634 1.00 0.43 C ATOM 819 CG2 ILE A 53 -6.363 0.973 -7.090 1.00 0.42 C ATOM 820 CD1 ILE A 53 -5.355 1.343 -9.778 1.00 0.98 C ATOM 0 H ILE A 53 -4.889 0.878 -4.311 1.00 0.42 H new ATOM 0 HA ILE A 53 -3.289 -0.363 -6.334 1.00 0.41 H new ATOM 0 HB ILE A 53 -5.160 -0.675 -7.669 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -3.986 2.049 -8.305 1.00 0.43 H new ATOM 0 HG13 ILE A 53 -3.558 0.500 -9.004 1.00 0.43 H new ATOM 0 HG21 ILE A 53 -7.006 0.924 -7.969 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -6.820 0.413 -6.274 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -6.238 2.013 -6.790 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -4.832 1.853 -10.587 1.00 0.98 H new ATOM 0 HD12 ILE A 53 -5.745 0.392 -10.140 1.00 0.98 H new ATOM 0 HD13 ILE A 53 -6.180 1.965 -9.431 1.00 0.98 H new ATOM 832 N MET A 54 -2.238 1.889 -6.816 1.00 0.44 N ATOM 833 CA MET A 54 -1.554 3.156 -6.963 1.00 0.47 C ATOM 834 C MET A 54 -2.048 3.826 -8.236 1.00 0.48 C ATOM 835 O MET A 54 -1.835 3.315 -9.335 1.00 0.54 O ATOM 836 CB MET A 54 -0.040 2.947 -7.028 1.00 0.52 C ATOM 837 CG MET A 54 0.734 4.198 -7.397 1.00 0.60 C ATOM 838 SD MET A 54 2.512 3.914 -7.490 1.00 1.08 S ATOM 839 CE MET A 54 3.075 5.500 -8.102 1.00 1.50 C ATOM 0 H MET A 54 -1.770 1.104 -7.269 1.00 0.44 H new ATOM 0 HA MET A 54 -1.767 3.789 -6.102 1.00 0.47 H new ATOM 0 HB2 MET A 54 0.310 2.586 -6.061 1.00 0.52 H new ATOM 0 HB3 MET A 54 0.179 2.167 -7.757 1.00 0.52 H new ATOM 0 HG2 MET A 54 0.379 4.570 -8.358 1.00 0.60 H new ATOM 0 HG3 MET A 54 0.532 4.976 -6.660 1.00 0.60 H new ATOM 0 HE1 MET A 54 4.159 5.483 -8.213 1.00 1.50 H new ATOM 0 HE2 MET A 54 2.614 5.701 -9.069 1.00 1.50 H new ATOM 0 HE3 MET A 54 2.795 6.282 -7.397 1.00 1.50 H new ATOM 849 N LYS A 55 -2.755 4.932 -8.077 1.00 0.52 N ATOM 850 CA LYS A 55 -3.268 5.674 -9.214 1.00 0.58 C ATOM 851 C LYS A 55 -3.247 7.166 -8.916 1.00 0.66 C ATOM 852 O LYS A 55 -3.720 7.606 -7.864 1.00 0.70 O ATOM 853 CB LYS A 55 -4.689 5.211 -9.564 1.00 0.72 C ATOM 854 CG LYS A 55 -5.250 5.836 -10.836 1.00 0.95 C ATOM 855 CD LYS A 55 -4.321 5.620 -12.022 1.00 0.94 C ATOM 856 CE LYS A 55 -4.924 6.149 -13.315 1.00 1.11 C ATOM 857 NZ LYS A 55 -3.931 6.159 -14.425 1.00 1.69 N ATOM 0 H LYS A 55 -2.987 5.336 -7.169 1.00 0.52 H new ATOM 0 HA LYS A 55 -2.628 5.482 -10.075 1.00 0.58 H new ATOM 0 HB2 LYS A 55 -4.690 4.127 -9.674 1.00 0.72 H new ATOM 0 HB3 LYS A 55 -5.352 5.448 -8.732 1.00 0.72 H new ATOM 0 HG2 LYS A 55 -6.227 5.404 -11.054 1.00 0.95 H new ATOM 0 HG3 LYS A 55 -5.401 6.904 -10.681 1.00 0.95 H new ATOM 0 HD2 LYS A 55 -3.370 6.118 -11.834 1.00 0.94 H new ATOM 0 HD3 LYS A 55 -4.109 4.556 -12.128 1.00 0.94 H new ATOM 0 HE2 LYS A 55 -5.778 5.533 -13.597 1.00 1.11 H new ATOM 0 HE3 LYS A 55 -5.300 7.160 -13.154 1.00 1.11 H new ATOM 0 HZ1 LYS A 55 -4.144 6.943 -15.075 1.00 1.69 H new ATOM 0 HZ2 LYS A 55 -2.975 6.284 -14.035 1.00 1.69 H new ATOM 0 HZ3 LYS A 55 -3.979 5.258 -14.942 1.00 1.69 H new ATOM 871 N GLY A 56 -2.693 7.934 -9.840 1.00 0.77 N ATOM 872 CA GLY A 56 -2.620 9.372 -9.674 1.00 0.93 C ATOM 873 C GLY A 56 -1.564 9.788 -8.673 1.00 0.94 C ATOM 874 O GLY A 56 -1.783 10.701 -7.877 1.00 1.21 O ATOM 0 H GLY A 56 -2.289 7.585 -10.709 1.00 0.77 H new ATOM 0 HA2 GLY A 56 -2.405 9.835 -10.637 1.00 0.93 H new ATOM 0 HA3 GLY A 56 -3.591 9.747 -9.350 1.00 0.93 H new ATOM 878 N ASN A 57 -0.414 9.111 -8.720 1.00 0.99 N ATOM 879 CA ASN A 57 0.704 9.390 -7.809 1.00 1.05 C ATOM 880 C ASN A 57 0.253 9.252 -6.353 1.00 0.97 C ATOM 881 O ASN A 57 0.769 9.917 -5.455 1.00 1.15 O ATOM 882 CB ASN A 57 1.269 10.790 -8.085 1.00 1.30 C ATOM 883 CG ASN A 57 2.747 10.929 -7.739 1.00 1.96 C ATOM 884 OD1 ASN A 57 3.495 11.587 -8.460 1.00 2.10 O ATOM 885 ND2 ASN A 57 3.179 10.341 -6.630 1.00 2.90 N ATOM 0 H ASN A 57 -0.230 8.359 -9.384 1.00 0.99 H new ATOM 0 HA ASN A 57 1.496 8.662 -7.983 1.00 1.05 H new ATOM 0 HB2 ASN A 57 1.127 11.029 -9.139 1.00 1.30 H new ATOM 0 HB3 ASN A 57 0.700 11.522 -7.512 1.00 1.30 H new ATOM 0 HD21 ASN A 57 4.157 10.428 -6.354 1.00 2.90 H new ATOM 0 HD22 ASN A 57 2.533 9.802 -6.054 1.00 2.90 H new ATOM 892 N GLU A 58 -0.692 8.353 -6.134 1.00 0.86 N ATOM 893 CA GLU A 58 -1.248 8.092 -4.812 1.00 0.84 C ATOM 894 C GLU A 58 -1.664 6.644 -4.739 1.00 0.69 C ATOM 895 O GLU A 58 -1.584 5.928 -5.733 1.00 0.75 O ATOM 896 CB GLU A 58 -2.469 8.971 -4.532 1.00 0.88 C ATOM 897 CG GLU A 58 -2.163 10.459 -4.415 1.00 1.05 C ATOM 898 CD GLU A 58 -3.332 11.253 -3.875 1.00 1.30 C ATOM 899 OE1 GLU A 58 -3.531 11.279 -2.644 1.00 1.66 O ATOM 900 OE2 GLU A 58 -4.064 11.857 -4.687 1.00 1.63 O ATOM 0 H GLU A 58 -1.099 7.779 -6.872 1.00 0.86 H new ATOM 0 HA GLU A 58 -0.485 8.320 -4.068 1.00 0.84 H new ATOM 0 HB2 GLU A 58 -3.197 8.824 -5.330 1.00 0.88 H new ATOM 0 HB3 GLU A 58 -2.938 8.636 -3.607 1.00 0.88 H new ATOM 0 HG2 GLU A 58 -1.301 10.599 -3.762 1.00 1.05 H new ATOM 0 HG3 GLU A 58 -1.887 10.847 -5.395 1.00 1.05 H new ATOM 907 N ILE A 59 -2.113 6.207 -3.581 1.00 0.64 N ATOM 908 CA ILE A 59 -2.563 4.844 -3.452 1.00 0.56 C ATOM 909 C ILE A 59 -3.972 4.782 -2.870 1.00 0.55 C ATOM 910 O ILE A 59 -4.322 5.513 -1.941 1.00 0.63 O ATOM 911 CB ILE A 59 -1.571 3.993 -2.622 1.00 0.62 C ATOM 912 CG1 ILE A 59 -1.554 2.561 -3.153 1.00 0.79 C ATOM 913 CG2 ILE A 59 -1.917 4.009 -1.139 1.00 0.58 C ATOM 914 CD1 ILE A 59 -0.450 1.708 -2.573 1.00 0.92 C ATOM 0 H ILE A 59 -2.174 6.767 -2.731 1.00 0.64 H new ATOM 0 HA ILE A 59 -2.599 4.414 -4.453 1.00 0.56 H new ATOM 0 HB ILE A 59 -0.578 4.430 -2.726 1.00 0.62 H new ATOM 0 HG12 ILE A 59 -2.514 2.092 -2.937 1.00 0.79 H new ATOM 0 HG13 ILE A 59 -1.449 2.587 -4.238 1.00 0.79 H new ATOM 0 HG21 ILE A 59 -1.198 3.400 -0.591 1.00 0.58 H new ATOM 0 HG22 ILE A 59 -1.883 5.033 -0.768 1.00 0.58 H new ATOM 0 HG23 ILE A 59 -2.919 3.605 -0.995 1.00 0.58 H new ATOM 0 HD11 ILE A 59 -0.503 0.706 -2.998 1.00 0.92 H new ATOM 0 HD12 ILE A 59 0.516 2.152 -2.811 1.00 0.92 H new ATOM 0 HD13 ILE A 59 -0.566 1.650 -1.491 1.00 0.92 H new ATOM 926 N PHE A 60 -4.787 3.950 -3.482 1.00 0.48 N ATOM 927 CA PHE A 60 -6.102 3.630 -2.975 1.00 0.48 C ATOM 928 C PHE A 60 -6.007 2.376 -2.134 1.00 0.48 C ATOM 929 O PHE A 60 -5.380 1.395 -2.515 1.00 0.45 O ATOM 930 CB PHE A 60 -7.096 3.460 -4.144 1.00 0.50 C ATOM 931 CG PHE A 60 -8.066 2.297 -4.041 1.00 0.48 C ATOM 932 CD1 PHE A 60 -7.675 0.991 -4.304 1.00 0.44 C ATOM 933 CD2 PHE A 60 -9.365 2.518 -3.630 1.00 0.69 C ATOM 934 CE1 PHE A 60 -8.575 -0.058 -4.150 1.00 0.47 C ATOM 935 CE2 PHE A 60 -10.260 1.489 -3.484 1.00 0.71 C ATOM 936 CZ PHE A 60 -9.814 0.131 -3.973 1.00 0.54 C ATOM 0 H PHE A 60 -4.553 3.473 -4.353 1.00 0.48 H new ATOM 0 HA PHE A 60 -6.474 4.442 -2.350 1.00 0.48 H new ATOM 0 HB2 PHE A 60 -7.674 4.380 -4.238 1.00 0.50 H new ATOM 0 HB3 PHE A 60 -6.524 3.348 -5.065 1.00 0.50 H new ATOM 0 HD1 PHE A 60 -6.666 0.788 -4.630 1.00 0.44 H new ATOM 0 HD2 PHE A 60 -9.685 3.527 -3.418 1.00 0.69 H new ATOM 0 HE1 PHE A 60 -8.203 -1.071 -4.183 1.00 0.47 H new ATOM 0 HE2 PHE A 60 -11.234 1.642 -3.042 1.00 0.71 H new ATOM 0 HZ PHE A 60 -10.530 -0.654 -4.166 1.00 0.54 H new ATOM 946 N ARG A 61 -6.583 2.458 -0.973 1.00 0.60 N ATOM 947 CA ARG A 61 -6.777 1.325 -0.105 1.00 0.70 C ATOM 948 C ARG A 61 -7.917 1.720 0.780 1.00 0.69 C ATOM 949 O ARG A 61 -7.701 2.512 1.701 1.00 0.88 O ATOM 950 CB ARG A 61 -5.505 1.036 0.715 1.00 1.03 C ATOM 951 CG ARG A 61 -5.713 0.249 2.011 1.00 1.21 C ATOM 952 CD ARG A 61 -6.511 -1.029 1.803 1.00 1.51 C ATOM 953 NE ARG A 61 -6.475 -1.915 2.975 1.00 2.25 N ATOM 954 CZ ARG A 61 -6.984 -1.616 4.179 1.00 2.70 C ATOM 955 NH1 ARG A 61 -7.482 -0.411 4.426 1.00 2.72 N ATOM 956 NH2 ARG A 61 -6.967 -2.523 5.145 1.00 3.56 N ATOM 0 H ARG A 61 -6.941 3.333 -0.590 1.00 0.60 H new ATOM 0 HA ARG A 61 -6.987 0.409 -0.658 1.00 0.70 H new ATOM 0 HB2 ARG A 61 -4.807 0.485 0.085 1.00 1.03 H new ATOM 0 HB3 ARG A 61 -5.030 1.986 0.961 1.00 1.03 H new ATOM 0 HG2 ARG A 61 -4.742 -0.000 2.439 1.00 1.21 H new ATOM 0 HG3 ARG A 61 -6.228 0.880 2.735 1.00 1.21 H new ATOM 0 HD2 ARG A 61 -7.546 -0.774 1.577 1.00 1.51 H new ATOM 0 HD3 ARG A 61 -6.118 -1.562 0.937 1.00 1.51 H new ATOM 0 HE ARG A 61 -6.029 -2.826 2.864 1.00 2.25 H new ATOM 0 HH11 ARG A 61 -7.481 0.301 3.696 1.00 2.72 H new ATOM 0 HH12 ARG A 61 -7.866 -0.197 5.346 1.00 2.72 H new ATOM 0 HH21 ARG A 61 -6.568 -3.445 4.972 1.00 3.56 H new ATOM 0 HH22 ARG A 61 -7.353 -2.299 6.062 1.00 3.56 H new ATOM 970 N LEU A 62 -9.130 1.253 0.504 1.00 0.78 N ATOM 971 CA LEU A 62 -10.306 1.690 1.260 1.00 1.07 C ATOM 972 C LEU A 62 -10.720 3.093 0.863 1.00 1.19 C ATOM 973 O LEU A 62 -11.897 3.335 0.598 1.00 1.40 O ATOM 974 CB LEU A 62 -10.098 1.629 2.773 1.00 1.26 C ATOM 975 CG LEU A 62 -10.699 0.405 3.445 1.00 1.08 C ATOM 976 CD1 LEU A 62 -12.215 0.438 3.323 1.00 1.36 C ATOM 977 CD2 LEU A 62 -10.138 -0.858 2.818 1.00 1.32 C ATOM 0 H LEU A 62 -9.328 0.576 -0.233 1.00 0.78 H new ATOM 0 HA LEU A 62 -11.101 0.989 1.007 1.00 1.07 H new ATOM 0 HB2 LEU A 62 -9.028 1.653 2.981 1.00 1.26 H new ATOM 0 HB3 LEU A 62 -10.530 2.523 3.222 1.00 1.26 H new ATOM 0 HG LEU A 62 -10.437 0.411 4.503 1.00 1.08 H new ATOM 0 HD11 LEU A 62 -12.638 -0.442 3.807 1.00 1.36 H new ATOM 0 HD12 LEU A 62 -12.599 1.337 3.805 1.00 1.36 H new ATOM 0 HD13 LEU A 62 -12.495 0.443 2.270 1.00 1.36 H new ATOM 0 HD21 LEU A 62 -10.574 -1.730 3.305 1.00 1.32 H new ATOM 0 HD22 LEU A 62 -10.382 -0.876 1.756 1.00 1.32 H new ATOM 0 HD23 LEU A 62 -9.055 -0.876 2.942 1.00 1.32 H new ATOM 989 N ASP A 63 -9.746 4.005 0.833 1.00 1.20 N ATOM 990 CA ASP A 63 -9.984 5.424 0.570 1.00 1.33 C ATOM 991 C ASP A 63 -10.679 6.055 1.761 1.00 1.52 C ATOM 992 O ASP A 63 -10.165 6.983 2.372 1.00 2.14 O ATOM 993 CB ASP A 63 -10.788 5.627 -0.721 1.00 1.34 C ATOM 994 CG ASP A 63 -11.286 7.052 -0.893 1.00 1.60 C ATOM 995 OD1 ASP A 63 -10.501 7.910 -1.340 1.00 1.69 O ATOM 996 OD2 ASP A 63 -12.472 7.315 -0.599 1.00 1.88 O ATOM 0 H ASP A 63 -8.764 3.777 0.992 1.00 1.20 H new ATOM 0 HA ASP A 63 -9.023 5.918 0.425 1.00 1.33 H new ATOM 0 HB2 ASP A 63 -10.166 5.360 -1.575 1.00 1.34 H new ATOM 0 HB3 ASP A 63 -11.640 4.948 -0.722 1.00 1.34 H new ATOM 1001 N GLU A 64 -11.815 5.489 2.111 1.00 1.62 N ATOM 1002 CA GLU A 64 -12.618 5.933 3.241 1.00 1.93 C ATOM 1003 C GLU A 64 -11.820 5.894 4.545 1.00 1.82 C ATOM 1004 O GLU A 64 -11.979 6.763 5.399 1.00 2.06 O ATOM 1005 CB GLU A 64 -13.851 5.037 3.365 1.00 2.31 C ATOM 1006 CG GLU A 64 -14.824 5.475 4.439 1.00 2.80 C ATOM 1007 CD GLU A 64 -15.827 4.395 4.772 1.00 3.36 C ATOM 1008 OE1 GLU A 64 -16.717 4.118 3.940 1.00 3.77 O ATOM 1009 OE2 GLU A 64 -15.720 3.809 5.868 1.00 3.80 O ATOM 0 H GLU A 64 -12.216 4.694 1.613 1.00 1.62 H new ATOM 0 HA GLU A 64 -12.919 6.965 3.064 1.00 1.93 H new ATOM 0 HB2 GLU A 64 -14.369 5.015 2.406 1.00 2.31 H new ATOM 0 HB3 GLU A 64 -13.527 4.018 3.576 1.00 2.31 H new ATOM 0 HG2 GLU A 64 -14.272 5.746 5.339 1.00 2.80 H new ATOM 0 HG3 GLU A 64 -15.352 6.369 4.107 1.00 2.80 H new ATOM 1016 N ALA A 65 -10.953 4.889 4.673 1.00 1.56 N ATOM 1017 CA ALA A 65 -10.171 4.679 5.891 1.00 1.58 C ATOM 1018 C ALA A 65 -9.422 5.941 6.313 1.00 1.62 C ATOM 1019 O ALA A 65 -9.662 6.491 7.388 1.00 1.76 O ATOM 1020 CB ALA A 65 -9.190 3.528 5.696 1.00 1.52 C ATOM 0 H ALA A 65 -10.774 4.202 3.941 1.00 1.56 H new ATOM 0 HA ALA A 65 -10.870 4.428 6.689 1.00 1.58 H new ATOM 0 HB1 ALA A 65 -8.614 3.382 6.610 1.00 1.52 H new ATOM 0 HB2 ALA A 65 -9.740 2.616 5.464 1.00 1.52 H new ATOM 0 HB3 ALA A 65 -8.513 3.762 4.874 1.00 1.52 H new ATOM 1026 N LEU A 66 -8.527 6.405 5.454 1.00 1.64 N ATOM 1027 CA LEU A 66 -7.721 7.583 5.755 1.00 1.88 C ATOM 1028 C LEU A 66 -8.473 8.871 5.423 1.00 2.10 C ATOM 1029 O LEU A 66 -8.085 9.958 5.854 1.00 2.36 O ATOM 1030 CB LEU A 66 -6.333 7.505 5.066 1.00 2.16 C ATOM 1031 CG LEU A 66 -6.257 7.555 3.523 1.00 1.52 C ATOM 1032 CD1 LEU A 66 -7.091 6.474 2.851 1.00 1.76 C ATOM 1033 CD2 LEU A 66 -6.642 8.931 3.018 1.00 1.84 C ATOM 0 H LEU A 66 -8.339 5.986 4.543 1.00 1.64 H new ATOM 0 HA LEU A 66 -7.535 7.601 6.829 1.00 1.88 H new ATOM 0 HB2 LEU A 66 -5.728 8.325 5.452 1.00 2.16 H new ATOM 0 HB3 LEU A 66 -5.857 6.579 5.389 1.00 2.16 H new ATOM 0 HG LEU A 66 -5.221 7.354 3.251 1.00 1.52 H new ATOM 0 HD11 LEU A 66 -6.996 6.562 1.769 1.00 1.76 H new ATOM 0 HD12 LEU A 66 -6.738 5.493 3.168 1.00 1.76 H new ATOM 0 HD13 LEU A 66 -8.137 6.592 3.135 1.00 1.76 H new ATOM 0 HD21 LEU A 66 -6.583 8.949 1.930 1.00 1.84 H new ATOM 0 HD22 LEU A 66 -7.661 9.161 3.330 1.00 1.84 H new ATOM 0 HD23 LEU A 66 -5.959 9.674 3.430 1.00 1.84 H new ATOM 1045 N ARG A 67 -9.550 8.738 4.669 1.00 2.14 N ATOM 1046 CA ARG A 67 -10.405 9.869 4.336 1.00 2.52 C ATOM 1047 C ARG A 67 -11.171 10.325 5.570 1.00 2.72 C ATOM 1048 O ARG A 67 -10.916 11.398 6.116 1.00 3.05 O ATOM 1049 CB ARG A 67 -11.377 9.455 3.237 1.00 2.77 C ATOM 1050 CG ARG A 67 -12.327 10.540 2.776 1.00 3.00 C ATOM 1051 CD ARG A 67 -13.203 10.018 1.654 1.00 3.22 C ATOM 1052 NE ARG A 67 -14.030 11.058 1.053 1.00 3.39 N ATOM 1053 CZ ARG A 67 -14.381 11.061 -0.232 1.00 3.94 C ATOM 1054 NH1 ARG A 67 -13.940 10.106 -1.045 1.00 4.45 N ATOM 1055 NH2 ARG A 67 -15.175 12.010 -0.705 1.00 4.37 N ATOM 0 H ARG A 67 -9.857 7.850 4.272 1.00 2.14 H new ATOM 0 HA ARG A 67 -9.792 10.698 3.983 1.00 2.52 H new ATOM 0 HB2 ARG A 67 -10.803 9.108 2.378 1.00 2.77 H new ATOM 0 HB3 ARG A 67 -11.963 8.608 3.592 1.00 2.77 H new ATOM 0 HG2 ARG A 67 -12.947 10.870 3.609 1.00 3.00 H new ATOM 0 HG3 ARG A 67 -11.763 11.408 2.435 1.00 3.00 H new ATOM 0 HD2 ARG A 67 -12.573 9.571 0.885 1.00 3.22 H new ATOM 0 HD3 ARG A 67 -13.846 9.226 2.039 1.00 3.22 H new ATOM 0 HE ARG A 67 -14.356 11.821 1.646 1.00 3.39 H new ATOM 0 HH11 ARG A 67 -13.332 9.370 -0.685 1.00 4.45 H new ATOM 0 HH12 ARG A 67 -14.209 10.109 -2.029 1.00 4.45 H new ATOM 0 HH21 ARG A 67 -15.520 12.742 -0.085 1.00 4.37 H new ATOM 0 HH22 ARG A 67 -15.441 12.008 -1.690 1.00 4.37 H new ATOM 1069 N LYS A 68 -12.091 9.485 6.021 1.00 2.79 N ATOM 1070 CA LYS A 68 -12.900 9.783 7.188 1.00 3.26 C ATOM 1071 C LYS A 68 -12.919 8.580 8.118 1.00 3.31 C ATOM 1072 O LYS A 68 -13.561 7.567 7.838 1.00 3.49 O ATOM 1073 CB LYS A 68 -14.324 10.179 6.782 1.00 3.73 C ATOM 1074 CG LYS A 68 -14.388 11.469 5.974 1.00 4.12 C ATOM 1075 CD LYS A 68 -13.826 12.650 6.756 1.00 4.65 C ATOM 1076 CE LYS A 68 -14.713 13.030 7.930 1.00 5.37 C ATOM 1077 NZ LYS A 68 -14.077 14.058 8.797 1.00 5.92 N ATOM 0 H LYS A 68 -12.295 8.584 5.590 1.00 2.79 H new ATOM 0 HA LYS A 68 -12.459 10.630 7.713 1.00 3.26 H new ATOM 0 HB2 LYS A 68 -14.765 9.371 6.198 1.00 3.73 H new ATOM 0 HB3 LYS A 68 -14.932 10.291 7.680 1.00 3.73 H new ATOM 0 HG2 LYS A 68 -13.828 11.346 5.047 1.00 4.12 H new ATOM 0 HG3 LYS A 68 -15.422 11.674 5.697 1.00 4.12 H new ATOM 0 HD2 LYS A 68 -12.829 12.402 7.120 1.00 4.65 H new ATOM 0 HD3 LYS A 68 -13.718 13.507 6.091 1.00 4.65 H new ATOM 0 HE2 LYS A 68 -15.665 13.408 7.558 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -14.932 12.141 8.522 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -13.904 13.657 9.741 1.00 5.92 H new ATOM 0 HZ2 LYS A 68 -13.174 14.356 8.377 1.00 5.92 H new ATOM 0 HZ3 LYS A 68 -14.708 14.881 8.880 1.00 5.92 H new ATOM 1091 N GLY A 69 -12.193 8.701 9.212 1.00 3.64 N ATOM 1092 CA GLY A 69 -12.027 7.600 10.136 1.00 4.05 C ATOM 1093 C GLY A 69 -10.669 7.660 10.791 1.00 4.58 C ATOM 1094 O GLY A 69 -10.560 7.901 11.990 1.00 5.06 O ATOM 0 H GLY A 69 -11.707 9.556 9.482 1.00 3.64 H new ATOM 0 HA2 GLY A 69 -12.806 7.636 10.897 1.00 4.05 H new ATOM 0 HA3 GLY A 69 -12.141 6.654 9.607 1.00 4.05 H new ATOM 1098 N HIS A 70 -9.630 7.481 9.990 1.00 4.87 N ATOM 1099 CA HIS A 70 -8.260 7.614 10.471 1.00 5.68 C ATOM 1100 C HIS A 70 -7.955 9.074 10.794 1.00 6.44 C ATOM 1101 O HIS A 70 -7.196 9.374 11.714 1.00 6.88 O ATOM 1102 CB HIS A 70 -7.283 7.084 9.416 1.00 5.88 C ATOM 1103 CG HIS A 70 -5.839 7.150 9.817 1.00 5.93 C ATOM 1104 ND1 HIS A 70 -5.236 6.196 10.602 1.00 6.60 N ATOM 1105 CD2 HIS A 70 -4.879 8.059 9.528 1.00 5.65 C ATOM 1106 CE1 HIS A 70 -3.966 6.510 10.774 1.00 6.67 C ATOM 1107 NE2 HIS A 70 -3.724 7.638 10.131 1.00 6.10 N ATOM 0 H HIS A 70 -9.708 7.243 9.001 1.00 4.87 H new ATOM 0 HA HIS A 70 -8.145 7.027 11.382 1.00 5.68 H new ATOM 0 HB2 HIS A 70 -7.538 6.048 9.191 1.00 5.88 H new ATOM 0 HB3 HIS A 70 -7.418 7.653 8.496 1.00 5.88 H new ATOM 0 HD2 HIS A 70 -5.001 8.951 8.932 1.00 5.65 H new ATOM 0 HE1 HIS A 70 -3.246 5.941 11.344 1.00 6.67 H new ATOM 0 HE2 HIS A 70 -2.824 8.117 10.090 1.00 6.10 H new ATOM 1116 N SER A 71 -8.559 9.976 10.033 1.00 6.86 N ATOM 1117 CA SER A 71 -8.361 11.405 10.235 1.00 7.78 C ATOM 1118 C SER A 71 -9.295 11.949 11.318 1.00 8.28 C ATOM 1119 O SER A 71 -9.322 13.149 11.577 1.00 8.52 O ATOM 1120 CB SER A 71 -8.570 12.156 8.917 1.00 8.22 C ATOM 1121 OG SER A 71 -7.654 11.708 7.927 1.00 8.32 O ATOM 0 H SER A 71 -9.192 9.743 9.268 1.00 6.86 H new ATOM 0 HA SER A 71 -7.337 11.562 10.573 1.00 7.78 H new ATOM 0 HB2 SER A 71 -9.591 12.007 8.567 1.00 8.22 H new ATOM 0 HB3 SER A 71 -8.442 13.226 9.079 1.00 8.22 H new ATOM 0 HG SER A 71 -8.101 11.071 7.332 1.00 8.32 H new ATOM 1127 N GLU A 72 -10.057 11.062 11.947 1.00 8.69 N ATOM 1128 CA GLU A 72 -10.918 11.447 13.057 1.00 9.41 C ATOM 1129 C GLU A 72 -10.100 11.505 14.342 1.00 10.13 C ATOM 1130 O GLU A 72 -9.788 12.581 14.852 1.00 10.75 O ATOM 1131 CB GLU A 72 -12.065 10.445 13.213 1.00 9.75 C ATOM 1132 CG GLU A 72 -12.993 10.363 12.011 1.00 9.88 C ATOM 1133 CD GLU A 72 -13.878 11.579 11.865 1.00 10.01 C ATOM 1134 OE1 GLU A 72 -14.855 11.711 12.630 1.00 10.45 O ATOM 1135 OE2 GLU A 72 -13.586 12.424 10.992 1.00 9.88 O ATOM 0 H GLU A 72 -10.096 10.071 11.707 1.00 8.69 H new ATOM 0 HA GLU A 72 -11.341 12.431 12.853 1.00 9.41 H new ATOM 0 HB2 GLU A 72 -11.645 9.457 13.401 1.00 9.75 H new ATOM 0 HB3 GLU A 72 -12.651 10.715 14.092 1.00 9.75 H new ATOM 0 HG2 GLU A 72 -12.397 10.243 11.106 1.00 9.88 H new ATOM 0 HG3 GLU A 72 -13.618 9.474 12.101 1.00 9.88 H new ATOM 1142 N GLY A 73 -9.729 10.335 14.838 1.00 10.25 N ATOM 1143 CA GLY A 73 -8.924 10.250 16.039 1.00 11.09 C ATOM 1144 C GLY A 73 -8.271 8.891 16.173 1.00 11.37 C ATOM 1145 O GLY A 73 -8.940 7.863 16.047 1.00 11.62 O ATOM 0 H GLY A 73 -9.974 9.435 14.426 1.00 10.25 H new ATOM 0 HA2 GLY A 73 -8.156 11.024 16.019 1.00 11.09 H new ATOM 0 HA3 GLY A 73 -9.548 10.443 16.911 1.00 11.09 H new ATOM 1149 N GLY A 74 -6.972 8.878 16.416 1.00 11.55 N ATOM 1150 CA GLY A 74 -6.249 7.628 16.512 1.00 12.06 C ATOM 1151 C GLY A 74 -5.484 7.519 17.810 1.00 12.56 C ATOM 1152 O GLY A 74 -6.041 6.983 18.789 1.00 12.99 O ATOM 1153 OXT GLY A 74 -4.330 7.992 17.863 1.00 12.71 O ATOM 0 H GLY A 74 -6.402 9.714 16.549 1.00 11.55 H new ATOM 0 HA2 GLY A 74 -6.949 6.796 16.432 1.00 12.06 H new ATOM 0 HA3 GLY A 74 -5.557 7.544 15.674 1.00 12.06 H new TER 1157 GLY A 74