USER MOD reduce.3.24.130724 H: found=0, std=0, add=1042, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1048 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 52 CYS SG : rot 59:sc= 0.31 USER MOD Set 1.2: B 52 CYS SG : rot 62:sc= 0.336 USER MOD Set 2.1: B 23 TYR OH : rot 180:sc= 1.02 USER MOD Set 2.2: B 64 SER OG : rot 59:sc= 1.22 USER MOD Set 3.1: A 81 THR OG1 : rot -26:sc= 0.0842 USER MOD Set 3.2: B 17 ASN : amide:sc= -5.61! C(o=-5.5!,f=-9.8!) USER MOD Set 4.1: A 23 TYR OH : rot 34:sc= 1.12 USER MOD Set 4.2: A 64 SER OG : rot 180:sc= 1.07 USER MOD Set 5.1: A 17 ASN : amide:sc= -5.43! C(o=-5.4!,f=-9.4!) USER MOD Set 5.2: B 81 THR OG1 : rot -35:sc= 0.0696 USER MOD Single : A 15 MET CE :methyl -169:sc= 0 (180deg=-0.178) USER MOD Single : A 18 LYS NZ :NH3+ 176:sc= 1.18 (180deg=1.09) USER MOD Single : A 19 LYS NZ :NH3+ -116:sc= 0.266 (180deg=-0.0202) USER MOD Single : A 27 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.64) USER MOD Single : A 30 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4.8!) USER MOD Single : A 32 GLN : amide:sc= -1.49! K(o=-1.5!,f=-0.0064) USER MOD Single : A 35 HIS : no HD1:sc= -0.0887 X(o=-0.089,f=-0.07) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.012) USER MOD Single : A 45 SER OG : rot -117:sc= 0.867 USER MOD Single : A 51 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.5) USER MOD Single : A 55 THR OG1 : rot 79:sc= 1.07 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.609 K(o=-0.61,f=-0.059) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0018 USER MOD Single : A 83 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0992) USER MOD Single : B 15 MET CE :methyl -168:sc= 0 (180deg=-0.179) USER MOD Single : B 18 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.09) USER MOD Single : B 19 LYS NZ :NH3+ -115:sc= 0.277 (180deg=-0.0259) USER MOD Single : B 27 GLN : amide:sc= -0.148 K(o=-0.15,f=-0.66) USER MOD Single : B 30 HIS : no HE2:sc= 1.15 K(o=1.1,f=-4.7!) USER MOD Single : B 32 GLN : amide:sc= -1.37! K(o=-1.4!,f=-0.025) USER MOD Single : B 35 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.066) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 43 GLN : amide:sc= -1.05 K(o=-1.1,f=0) USER MOD Single : B 45 SER OG : rot -117:sc= 1 USER MOD Single : B 51 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.5) USER MOD Single : B 55 THR OG1 : rot 79:sc= 1.05 USER MOD Single : B 60 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 GLN : amide:sc= -0.628 K(o=-0.63,f=-0.066) USER MOD Single : B 71 THR OG1 : rot 180:sc=0.000426 USER MOD Single : B 83 LYS NZ :NH3+ -172:sc=-0.00655 (180deg=-0.0973) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 14.735 7.526 -8.129 1.00 2.26 N ATOM 2 CA MET A 15 14.319 7.550 -6.709 1.00 1.69 C ATOM 3 C MET A 15 13.233 6.514 -6.462 1.00 1.42 C ATOM 4 O MET A 15 12.198 6.520 -7.126 1.00 1.57 O ATOM 5 CB MET A 15 13.811 8.945 -6.328 1.00 1.82 C ATOM 6 CG MET A 15 13.245 9.031 -4.919 1.00 2.22 C ATOM 7 SD MET A 15 14.450 8.590 -3.654 1.00 3.04 S ATOM 8 CE MET A 15 13.465 8.793 -2.173 1.00 3.68 C ATOM 0 HA MET A 15 15.183 7.309 -6.089 1.00 1.69 H new ATOM 0 HB2 MET A 15 14.630 9.658 -6.424 1.00 1.82 H new ATOM 0 HB3 MET A 15 13.041 9.247 -7.038 1.00 1.82 H new ATOM 0 HG2 MET A 15 12.888 10.045 -4.737 1.00 2.22 H new ATOM 0 HG3 MET A 15 12.382 8.370 -4.838 1.00 2.22 H new ATOM 0 HE1 MET A 15 14.112 8.749 -1.297 1.00 3.68 H new ATOM 0 HE2 MET A 15 12.959 9.758 -2.202 1.00 3.68 H new ATOM 0 HE3 MET A 15 12.724 7.996 -2.117 1.00 3.68 H new ATOM 20 N ASP A 16 13.473 5.620 -5.515 1.00 1.26 N ATOM 21 CA ASP A 16 12.508 4.580 -5.195 1.00 1.13 C ATOM 22 C ASP A 16 11.959 4.762 -3.790 1.00 0.92 C ATOM 23 O ASP A 16 12.355 4.064 -2.860 1.00 1.01 O ATOM 24 CB ASP A 16 13.122 3.185 -5.336 1.00 1.39 C ATOM 25 CG ASP A 16 13.409 2.811 -6.774 1.00 1.84 C ATOM 26 OD1 ASP A 16 12.464 2.808 -7.589 1.00 2.40 O ATOM 27 OD2 ASP A 16 14.577 2.495 -7.093 1.00 2.28 O ATOM 0 H ASP A 16 14.326 5.594 -4.956 1.00 1.26 H new ATOM 0 HA ASP A 16 11.689 4.669 -5.908 1.00 1.13 H new ATOM 0 HB2 ASP A 16 14.048 3.141 -4.763 1.00 1.39 H new ATOM 0 HB3 ASP A 16 12.444 2.450 -4.903 1.00 1.39 H new ATOM 32 N ASN A 17 11.031 5.698 -3.647 1.00 0.78 N ATOM 33 CA ASN A 17 10.380 5.955 -2.364 1.00 0.74 C ATOM 34 C ASN A 17 9.317 4.893 -2.106 1.00 0.61 C ATOM 35 O ASN A 17 8.704 4.842 -1.041 1.00 0.65 O ATOM 36 CB ASN A 17 9.750 7.350 -2.368 1.00 0.92 C ATOM 37 CG ASN A 17 9.280 7.802 -0.997 1.00 1.56 C ATOM 38 OD1 ASN A 17 10.053 8.364 -0.222 1.00 2.52 O ATOM 39 ND2 ASN A 17 8.004 7.595 -0.700 1.00 1.71 N ATOM 0 H ASN A 17 10.709 6.297 -4.407 1.00 0.78 H new ATOM 0 HA ASN A 17 11.123 5.911 -1.568 1.00 0.74 H new ATOM 0 HB2 ASN A 17 10.476 8.068 -2.750 1.00 0.92 H new ATOM 0 HB3 ASN A 17 8.904 7.357 -3.055 1.00 0.92 H new ATOM 0 HD21 ASN A 17 7.632 7.906 0.198 1.00 1.71 H new ATOM 0 HD22 ASN A 17 7.394 7.125 -1.369 1.00 1.71 H new ATOM 46 N LYS A 18 9.130 4.033 -3.100 1.00 0.59 N ATOM 47 CA LYS A 18 8.154 2.951 -3.039 1.00 0.62 C ATOM 48 C LYS A 18 8.413 2.044 -1.835 1.00 0.53 C ATOM 49 O LYS A 18 7.490 1.442 -1.291 1.00 0.48 O ATOM 50 CB LYS A 18 8.215 2.139 -4.336 1.00 0.82 C ATOM 51 CG LYS A 18 8.114 2.997 -5.589 1.00 1.09 C ATOM 52 CD LYS A 18 6.710 3.542 -5.791 1.00 1.04 C ATOM 53 CE LYS A 18 6.705 4.759 -6.707 1.00 1.44 C ATOM 54 NZ LYS A 18 7.412 4.518 -7.995 1.00 1.90 N ATOM 0 H LYS A 18 9.653 4.066 -3.975 1.00 0.59 H new ATOM 0 HA LYS A 18 7.160 3.383 -2.924 1.00 0.62 H new ATOM 0 HB2 LYS A 18 9.150 1.579 -4.362 1.00 0.82 H new ATOM 0 HB3 LYS A 18 7.406 1.409 -4.338 1.00 0.82 H new ATOM 0 HG2 LYS A 18 8.819 3.826 -5.519 1.00 1.09 H new ATOM 0 HG3 LYS A 18 8.402 2.406 -6.458 1.00 1.09 H new ATOM 0 HD2 LYS A 18 6.075 2.764 -6.216 1.00 1.04 H new ATOM 0 HD3 LYS A 18 6.282 3.811 -4.826 1.00 1.04 H new ATOM 0 HE2 LYS A 18 5.674 5.048 -6.913 1.00 1.44 H new ATOM 0 HE3 LYS A 18 7.175 5.597 -6.192 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 7.319 5.356 -8.604 1.00 1.90 H new ATOM 0 HZ2 LYS A 18 8.419 4.335 -7.809 1.00 1.90 H new ATOM 0 HZ3 LYS A 18 6.993 3.694 -8.472 1.00 1.90 H new ATOM 68 N LYS A 19 9.671 1.963 -1.421 1.00 0.60 N ATOM 69 CA LYS A 19 10.048 1.170 -0.258 1.00 0.61 C ATOM 70 C LYS A 19 9.415 1.723 1.016 1.00 0.53 C ATOM 71 O LYS A 19 8.819 0.977 1.794 1.00 0.55 O ATOM 72 CB LYS A 19 11.574 1.113 -0.120 1.00 0.77 C ATOM 73 CG LYS A 19 12.263 2.466 -0.215 1.00 0.82 C ATOM 74 CD LYS A 19 13.762 2.356 0.024 1.00 1.19 C ATOM 75 CE LYS A 19 14.405 1.318 -0.884 1.00 1.06 C ATOM 76 NZ LYS A 19 14.245 1.657 -2.323 1.00 1.49 N ATOM 0 H LYS A 19 10.450 2.439 -1.875 1.00 0.60 H new ATOM 0 HA LYS A 19 9.673 0.157 -0.406 1.00 0.61 H new ATOM 0 HB2 LYS A 19 11.823 0.658 0.839 1.00 0.77 H new ATOM 0 HB3 LYS A 19 11.973 0.460 -0.896 1.00 0.77 H new ATOM 0 HG2 LYS A 19 12.083 2.897 -1.200 1.00 0.82 H new ATOM 0 HG3 LYS A 19 11.828 3.148 0.516 1.00 0.82 H new ATOM 0 HD2 LYS A 19 14.229 3.326 -0.145 1.00 1.19 H new ATOM 0 HD3 LYS A 19 13.945 2.091 1.065 1.00 1.19 H new ATOM 0 HE2 LYS A 19 15.466 1.237 -0.647 1.00 1.06 H new ATOM 0 HE3 LYS A 19 13.960 0.342 -0.690 1.00 1.06 H new ATOM 0 HZ1 LYS A 19 13.665 0.930 -2.789 1.00 1.49 H new ATOM 0 HZ2 LYS A 19 13.778 2.582 -2.412 1.00 1.49 H new ATOM 0 HZ3 LYS A 19 15.180 1.697 -2.776 1.00 1.49 H new ATOM 90 N ARG A 20 9.513 3.038 1.200 1.00 0.54 N ATOM 91 CA ARG A 20 8.953 3.694 2.376 1.00 0.58 C ATOM 92 C ARG A 20 7.436 3.568 2.362 1.00 0.54 C ATOM 93 O ARG A 20 6.787 3.530 3.409 1.00 0.61 O ATOM 94 CB ARG A 20 9.353 5.171 2.407 1.00 0.70 C ATOM 95 CG ARG A 20 10.854 5.406 2.355 1.00 0.82 C ATOM 96 CD ARG A 20 11.178 6.890 2.365 1.00 1.01 C ATOM 97 NE ARG A 20 12.617 7.149 2.300 1.00 1.31 N ATOM 98 CZ ARG A 20 13.150 8.270 1.806 1.00 1.45 C ATOM 99 NH1 ARG A 20 12.367 9.207 1.278 1.00 1.32 N ATOM 100 NH2 ARG A 20 14.465 8.445 1.817 1.00 2.34 N ATOM 0 H ARG A 20 9.976 3.670 0.547 1.00 0.54 H new ATOM 0 HA ARG A 20 9.347 3.209 3.269 1.00 0.58 H new ATOM 0 HB2 ARG A 20 8.886 5.681 1.564 1.00 0.70 H new ATOM 0 HB3 ARG A 20 8.956 5.626 3.314 1.00 0.70 H new ATOM 0 HG2 ARG A 20 11.330 4.921 3.207 1.00 0.82 H new ATOM 0 HG3 ARG A 20 11.266 4.947 1.456 1.00 0.82 H new ATOM 0 HD2 ARG A 20 10.687 7.372 1.520 1.00 1.01 H new ATOM 0 HD3 ARG A 20 10.771 7.342 3.270 1.00 1.01 H new ATOM 0 HE ARG A 20 13.250 6.431 2.653 1.00 1.31 H new ATOM 0 HH11 ARG A 20 11.357 9.071 1.250 1.00 1.32 H new ATOM 0 HH12 ARG A 20 12.777 10.062 0.902 1.00 1.32 H new ATOM 0 HH21 ARG A 20 15.072 7.722 2.203 1.00 2.34 H new ATOM 0 HH22 ARG A 20 14.869 9.302 1.439 1.00 2.34 H new ATOM 114 N LEU A 21 6.886 3.505 1.157 1.00 0.54 N ATOM 115 CA LEU A 21 5.465 3.275 0.964 1.00 0.59 C ATOM 116 C LEU A 21 5.054 1.947 1.597 1.00 0.57 C ATOM 117 O LEU A 21 4.176 1.906 2.459 1.00 0.64 O ATOM 118 CB LEU A 21 5.144 3.286 -0.538 1.00 0.64 C ATOM 119 CG LEU A 21 3.774 2.734 -0.946 1.00 0.61 C ATOM 120 CD1 LEU A 21 2.652 3.515 -0.278 1.00 0.70 C ATOM 121 CD2 LEU A 21 3.619 2.780 -2.457 1.00 0.61 C ATOM 0 H LEU A 21 7.412 3.612 0.290 1.00 0.54 H new ATOM 0 HA LEU A 21 4.900 4.070 1.450 1.00 0.59 H new ATOM 0 HB2 LEU A 21 5.219 4.313 -0.896 1.00 0.64 H new ATOM 0 HB3 LEU A 21 5.912 2.711 -1.056 1.00 0.64 H new ATOM 0 HG LEU A 21 3.711 1.698 -0.615 1.00 0.61 H new ATOM 0 HD11 LEU A 21 1.690 3.104 -0.584 1.00 0.70 H new ATOM 0 HD12 LEU A 21 2.751 3.440 0.805 1.00 0.70 H new ATOM 0 HD13 LEU A 21 2.710 4.562 -0.576 1.00 0.70 H new ATOM 0 HD21 LEU A 21 2.642 2.385 -2.735 1.00 0.61 H new ATOM 0 HD22 LEU A 21 3.705 3.811 -2.800 1.00 0.61 H new ATOM 0 HD23 LEU A 21 4.399 2.177 -2.921 1.00 0.61 H new ATOM 133 N ALA A 22 5.719 0.871 1.188 1.00 0.56 N ATOM 134 CA ALA A 22 5.419 -0.459 1.701 1.00 0.63 C ATOM 135 C ALA A 22 5.673 -0.539 3.198 1.00 0.51 C ATOM 136 O ALA A 22 4.866 -1.093 3.942 1.00 0.44 O ATOM 137 CB ALA A 22 6.248 -1.504 0.981 1.00 0.83 C ATOM 0 H ALA A 22 6.472 0.896 0.500 1.00 0.56 H new ATOM 0 HA ALA A 22 4.362 -0.655 1.520 1.00 0.63 H new ATOM 0 HB1 ALA A 22 6.012 -2.492 1.376 1.00 0.83 H new ATOM 0 HB2 ALA A 22 6.022 -1.476 -0.085 1.00 0.83 H new ATOM 0 HB3 ALA A 22 7.307 -1.296 1.133 1.00 0.83 H new ATOM 143 N TYR A 23 6.799 0.021 3.623 1.00 0.62 N ATOM 144 CA TYR A 23 7.171 0.051 5.032 1.00 0.76 C ATOM 145 C TYR A 23 6.050 0.633 5.891 1.00 0.67 C ATOM 146 O TYR A 23 5.627 0.028 6.877 1.00 0.67 O ATOM 147 CB TYR A 23 8.458 0.866 5.210 1.00 1.11 C ATOM 148 CG TYR A 23 8.573 1.541 6.558 1.00 1.03 C ATOM 149 CD1 TYR A 23 8.789 0.803 7.711 1.00 1.86 C ATOM 150 CD2 TYR A 23 8.445 2.922 6.672 1.00 1.46 C ATOM 151 CE1 TYR A 23 8.872 1.420 8.941 1.00 2.48 C ATOM 152 CE2 TYR A 23 8.532 3.545 7.899 1.00 1.82 C ATOM 153 CZ TYR A 23 8.744 2.790 9.030 1.00 2.23 C ATOM 154 OH TYR A 23 8.823 3.404 10.261 1.00 2.99 O ATOM 0 H TYR A 23 7.477 0.465 3.004 1.00 0.62 H new ATOM 0 HA TYR A 23 7.343 -0.973 5.363 1.00 0.76 H new ATOM 0 HB2 TYR A 23 9.316 0.208 5.070 1.00 1.11 H new ATOM 0 HB3 TYR A 23 8.507 1.625 4.429 1.00 1.11 H new ATOM 0 HD1 TYR A 23 8.894 -0.270 7.645 1.00 1.86 H new ATOM 0 HD2 TYR A 23 8.275 3.515 5.786 1.00 1.46 H new ATOM 0 HE1 TYR A 23 9.037 0.832 9.832 1.00 2.48 H new ATOM 0 HE2 TYR A 23 8.434 4.618 7.972 1.00 1.82 H new ATOM 0 HH TYR A 23 9.459 2.919 10.828 1.00 2.99 H new ATOM 164 N ALA A 24 5.567 1.802 5.504 1.00 0.72 N ATOM 165 CA ALA A 24 4.541 2.495 6.266 1.00 0.87 C ATOM 166 C ALA A 24 3.235 1.718 6.271 1.00 0.75 C ATOM 167 O ALA A 24 2.490 1.731 7.253 1.00 0.84 O ATOM 168 CB ALA A 24 4.332 3.875 5.694 1.00 1.14 C ATOM 0 H ALA A 24 5.870 2.293 4.663 1.00 0.72 H new ATOM 0 HA ALA A 24 4.877 2.579 7.300 1.00 0.87 H new ATOM 0 HB1 ALA A 24 3.563 4.393 6.266 1.00 1.14 H new ATOM 0 HB2 ALA A 24 5.265 4.436 5.748 1.00 1.14 H new ATOM 0 HB3 ALA A 24 4.017 3.794 4.654 1.00 1.14 H new ATOM 174 N ILE A 25 2.966 1.048 5.165 1.00 0.62 N ATOM 175 CA ILE A 25 1.801 0.187 5.049 1.00 0.71 C ATOM 176 C ILE A 25 1.911 -0.963 6.045 1.00 0.61 C ATOM 177 O ILE A 25 0.967 -1.251 6.776 1.00 0.66 O ATOM 178 CB ILE A 25 1.650 -0.356 3.609 1.00 0.80 C ATOM 179 CG1 ILE A 25 1.342 0.794 2.647 1.00 0.97 C ATOM 180 CG2 ILE A 25 0.562 -1.419 3.536 1.00 0.91 C ATOM 181 CD1 ILE A 25 1.264 0.375 1.195 1.00 0.89 C ATOM 0 H ILE A 25 3.545 1.084 4.326 1.00 0.62 H new ATOM 0 HA ILE A 25 0.912 0.775 5.276 1.00 0.71 H new ATOM 0 HB ILE A 25 2.591 -0.821 3.316 1.00 0.80 H new ATOM 0 HG12 ILE A 25 0.395 1.251 2.934 1.00 0.97 H new ATOM 0 HG13 ILE A 25 2.111 1.559 2.753 1.00 0.97 H new ATOM 0 HG21 ILE A 25 0.477 -1.783 2.512 1.00 0.91 H new ATOM 0 HG22 ILE A 25 0.818 -2.248 4.196 1.00 0.91 H new ATOM 0 HG23 ILE A 25 -0.389 -0.988 3.848 1.00 0.91 H new ATOM 0 HD11 ILE A 25 1.043 1.245 0.577 1.00 0.89 H new ATOM 0 HD12 ILE A 25 2.218 -0.055 0.889 1.00 0.89 H new ATOM 0 HD13 ILE A 25 0.475 -0.367 1.072 1.00 0.89 H new ATOM 193 N ILE A 26 3.086 -1.588 6.082 1.00 0.53 N ATOM 194 CA ILE A 26 3.385 -2.636 7.056 1.00 0.53 C ATOM 195 C ILE A 26 3.108 -2.143 8.475 1.00 0.51 C ATOM 196 O ILE A 26 2.464 -2.826 9.272 1.00 0.53 O ATOM 197 CB ILE A 26 4.867 -3.076 6.950 1.00 0.58 C ATOM 198 CG1 ILE A 26 5.122 -3.772 5.610 1.00 0.67 C ATOM 199 CG2 ILE A 26 5.262 -3.981 8.115 1.00 0.62 C ATOM 200 CD1 ILE A 26 6.575 -4.118 5.372 1.00 0.78 C ATOM 0 H ILE A 26 3.854 -1.384 5.442 1.00 0.53 H new ATOM 0 HA ILE A 26 2.742 -3.488 6.837 1.00 0.53 H new ATOM 0 HB ILE A 26 5.489 -2.182 7.001 1.00 0.58 H new ATOM 0 HG12 ILE A 26 4.528 -4.685 5.566 1.00 0.67 H new ATOM 0 HG13 ILE A 26 4.774 -3.127 4.803 1.00 0.67 H new ATOM 0 HG21 ILE A 26 6.307 -4.272 8.011 1.00 0.62 H new ATOM 0 HG22 ILE A 26 5.126 -3.445 9.054 1.00 0.62 H new ATOM 0 HG23 ILE A 26 4.635 -4.873 8.112 1.00 0.62 H new ATOM 0 HD11 ILE A 26 6.678 -4.608 4.404 1.00 0.78 H new ATOM 0 HD12 ILE A 26 7.173 -3.206 5.383 1.00 0.78 H new ATOM 0 HD13 ILE A 26 6.923 -4.789 6.157 1.00 0.78 H new ATOM 212 N GLN A 27 3.582 -0.939 8.759 1.00 0.54 N ATOM 213 CA GLN A 27 3.450 -0.332 10.077 1.00 0.62 C ATOM 214 C GLN A 27 1.991 -0.102 10.462 1.00 0.55 C ATOM 215 O GLN A 27 1.544 -0.540 11.525 1.00 0.57 O ATOM 216 CB GLN A 27 4.216 0.990 10.103 1.00 0.79 C ATOM 217 CG GLN A 27 5.721 0.807 10.027 1.00 0.89 C ATOM 218 CD GLN A 27 6.279 0.054 11.218 1.00 1.10 C ATOM 219 OE1 GLN A 27 5.765 0.158 12.332 1.00 1.58 O ATOM 220 NE2 GLN A 27 7.324 -0.721 10.990 1.00 1.34 N ATOM 0 H GLN A 27 4.070 -0.353 8.081 1.00 0.54 H new ATOM 0 HA GLN A 27 3.869 -1.022 10.809 1.00 0.62 H new ATOM 0 HB2 GLN A 27 3.889 1.609 9.268 1.00 0.79 H new ATOM 0 HB3 GLN A 27 3.967 1.529 11.017 1.00 0.79 H new ATOM 0 HG2 GLN A 27 5.972 0.270 9.112 1.00 0.89 H new ATOM 0 HG3 GLN A 27 6.199 1.784 9.964 1.00 0.89 H new ATOM 0 HE21 GLN A 27 7.721 -0.780 10.052 1.00 1.34 H new ATOM 0 HE22 GLN A 27 7.734 -1.261 11.752 1.00 1.34 H new ATOM 229 N PHE A 28 1.249 0.583 9.603 1.00 0.52 N ATOM 230 CA PHE A 28 -0.139 0.923 9.898 1.00 0.51 C ATOM 231 C PHE A 28 -1.010 -0.321 9.931 1.00 0.43 C ATOM 232 O PHE A 28 -1.788 -0.522 10.865 1.00 0.42 O ATOM 233 CB PHE A 28 -0.683 1.903 8.865 1.00 0.60 C ATOM 234 CG PHE A 28 -2.085 2.371 9.150 1.00 0.90 C ATOM 235 CD1 PHE A 28 -2.341 3.222 10.213 1.00 1.60 C ATOM 236 CD2 PHE A 28 -3.141 1.966 8.350 1.00 1.62 C ATOM 237 CE1 PHE A 28 -3.625 3.660 10.473 1.00 1.98 C ATOM 238 CE2 PHE A 28 -4.428 2.401 8.606 1.00 1.95 C ATOM 239 CZ PHE A 28 -4.669 3.248 9.670 1.00 1.83 C ATOM 0 H PHE A 28 1.582 0.914 8.698 1.00 0.52 H new ATOM 0 HA PHE A 28 -0.163 1.392 10.882 1.00 0.51 H new ATOM 0 HB2 PHE A 28 -0.023 2.769 8.817 1.00 0.60 H new ATOM 0 HB3 PHE A 28 -0.660 1.431 7.883 1.00 0.60 H new ATOM 0 HD1 PHE A 28 -1.528 3.546 10.845 1.00 1.60 H new ATOM 0 HD2 PHE A 28 -2.957 1.303 7.517 1.00 1.62 H new ATOM 0 HE1 PHE A 28 -3.812 4.324 11.304 1.00 1.98 H new ATOM 0 HE2 PHE A 28 -5.243 2.079 7.975 1.00 1.95 H new ATOM 0 HZ PHE A 28 -5.674 3.588 9.873 1.00 1.83 H new ATOM 249 N LEU A 29 -0.875 -1.150 8.906 1.00 0.45 N ATOM 250 CA LEU A 29 -1.653 -2.379 8.810 1.00 0.45 C ATOM 251 C LEU A 29 -1.391 -3.287 10.005 1.00 0.45 C ATOM 252 O LEU A 29 -2.292 -3.980 10.455 1.00 0.48 O ATOM 253 CB LEU A 29 -1.359 -3.120 7.502 1.00 0.53 C ATOM 254 CG LEU A 29 -2.227 -2.715 6.302 1.00 0.59 C ATOM 255 CD1 LEU A 29 -2.117 -1.222 6.012 1.00 0.57 C ATOM 256 CD2 LEU A 29 -1.833 -3.526 5.077 1.00 0.70 C ATOM 0 H LEU A 29 -0.234 -0.995 8.128 1.00 0.45 H new ATOM 0 HA LEU A 29 -2.707 -2.101 8.814 1.00 0.45 H new ATOM 0 HB2 LEU A 29 -0.313 -2.960 7.242 1.00 0.53 H new ATOM 0 HB3 LEU A 29 -1.485 -4.189 7.674 1.00 0.53 H new ATOM 0 HG LEU A 29 -3.267 -2.926 6.550 1.00 0.59 H new ATOM 0 HD11 LEU A 29 -2.744 -0.970 5.157 1.00 0.57 H new ATOM 0 HD12 LEU A 29 -2.448 -0.657 6.883 1.00 0.57 H new ATOM 0 HD13 LEU A 29 -1.080 -0.970 5.788 1.00 0.57 H new ATOM 0 HD21 LEU A 29 -2.454 -3.232 4.231 1.00 0.70 H new ATOM 0 HD22 LEU A 29 -0.785 -3.341 4.840 1.00 0.70 H new ATOM 0 HD23 LEU A 29 -1.977 -4.587 5.281 1.00 0.70 H new ATOM 268 N HIS A 30 -0.164 -3.264 10.518 1.00 0.47 N ATOM 269 CA HIS A 30 0.190 -4.027 11.717 1.00 0.53 C ATOM 270 C HIS A 30 -0.737 -3.676 12.880 1.00 0.47 C ATOM 271 O HIS A 30 -1.419 -4.541 13.432 1.00 0.49 O ATOM 272 CB HIS A 30 1.649 -3.744 12.107 1.00 0.67 C ATOM 273 CG HIS A 30 2.054 -4.291 13.446 1.00 0.93 C ATOM 274 ND1 HIS A 30 2.080 -3.525 14.595 1.00 1.11 N ATOM 275 CD2 HIS A 30 2.460 -5.529 13.816 1.00 1.18 C ATOM 276 CE1 HIS A 30 2.485 -4.268 15.607 1.00 1.37 C ATOM 277 NE2 HIS A 30 2.720 -5.486 15.162 1.00 1.41 N ATOM 0 H HIS A 30 0.606 -2.724 10.123 1.00 0.47 H new ATOM 0 HA HIS A 30 0.075 -5.088 11.494 1.00 0.53 H new ATOM 0 HB2 HIS A 30 2.304 -4.165 11.344 1.00 0.67 H new ATOM 0 HB3 HIS A 30 1.809 -2.666 12.106 1.00 0.67 H new ATOM 0 HD1 HIS A 30 1.826 -2.539 14.652 1.00 1.11 H new ATOM 0 HD2 HIS A 30 2.560 -6.390 13.171 1.00 1.18 H new ATOM 0 HE1 HIS A 30 2.604 -3.935 16.627 1.00 1.37 H new ATOM 286 N ASP A 31 -0.765 -2.401 13.236 1.00 0.48 N ATOM 287 CA ASP A 31 -1.546 -1.944 14.378 1.00 0.51 C ATOM 288 C ASP A 31 -3.037 -1.996 14.082 1.00 0.45 C ATOM 289 O ASP A 31 -3.827 -2.395 14.934 1.00 0.49 O ATOM 290 CB ASP A 31 -1.124 -0.532 14.784 1.00 0.63 C ATOM 291 CG ASP A 31 0.207 -0.521 15.510 1.00 1.24 C ATOM 292 OD1 ASP A 31 1.213 -0.992 14.934 1.00 1.98 O ATOM 293 OD2 ASP A 31 0.250 -0.065 16.675 1.00 1.79 O ATOM 0 H ASP A 31 -0.256 -1.662 12.751 1.00 0.48 H new ATOM 0 HA ASP A 31 -1.349 -2.618 15.212 1.00 0.51 H new ATOM 0 HB2 ASP A 31 -1.057 0.095 13.895 1.00 0.63 H new ATOM 0 HB3 ASP A 31 -1.890 -0.096 15.425 1.00 0.63 H new ATOM 298 N GLN A 32 -3.416 -1.615 12.867 1.00 0.42 N ATOM 299 CA GLN A 32 -4.814 -1.667 12.446 1.00 0.43 C ATOM 300 C GLN A 32 -5.345 -3.091 12.540 1.00 0.38 C ATOM 301 O GLN A 32 -6.491 -3.323 12.933 1.00 0.43 O ATOM 302 CB GLN A 32 -4.953 -1.161 11.009 1.00 0.52 C ATOM 303 CG GLN A 32 -6.382 -1.186 10.482 1.00 0.57 C ATOM 304 CD GLN A 32 -6.477 -0.779 9.023 1.00 1.17 C ATOM 305 OE1 GLN A 32 -7.477 -0.210 8.591 1.00 1.92 O ATOM 306 NE2 GLN A 32 -5.446 -1.082 8.250 1.00 1.31 N ATOM 0 H GLN A 32 -2.775 -1.266 12.155 1.00 0.42 H new ATOM 0 HA GLN A 32 -5.396 -1.027 13.109 1.00 0.43 H new ATOM 0 HB2 GLN A 32 -4.574 -0.140 10.955 1.00 0.52 H new ATOM 0 HB3 GLN A 32 -4.325 -1.769 10.358 1.00 0.52 H new ATOM 0 HG2 GLN A 32 -6.791 -2.189 10.602 1.00 0.57 H new ATOM 0 HG3 GLN A 32 -6.998 -0.516 11.082 1.00 0.57 H new ATOM 0 HE21 GLN A 32 -4.633 -1.555 8.646 1.00 1.31 H new ATOM 0 HE22 GLN A 32 -5.464 -0.843 7.259 1.00 1.31 H new ATOM 315 N LEU A 33 -4.490 -4.041 12.188 1.00 0.36 N ATOM 316 CA LEU A 33 -4.851 -5.446 12.187 1.00 0.42 C ATOM 317 C LEU A 33 -5.152 -5.913 13.605 1.00 0.46 C ATOM 318 O LEU A 33 -6.150 -6.588 13.851 1.00 0.54 O ATOM 319 CB LEU A 33 -3.705 -6.266 11.577 1.00 0.53 C ATOM 320 CG LEU A 33 -4.089 -7.615 10.968 1.00 0.80 C ATOM 321 CD1 LEU A 33 -4.291 -8.667 12.045 1.00 1.22 C ATOM 322 CD2 LEU A 33 -5.344 -7.464 10.122 1.00 0.83 C ATOM 0 H LEU A 33 -3.530 -3.857 11.896 1.00 0.36 H new ATOM 0 HA LEU A 33 -5.749 -5.590 11.585 1.00 0.42 H new ATOM 0 HB2 LEU A 33 -3.228 -5.665 10.803 1.00 0.53 H new ATOM 0 HB3 LEU A 33 -2.958 -6.440 12.352 1.00 0.53 H new ATOM 0 HG LEU A 33 -3.271 -7.949 10.330 1.00 0.80 H new ATOM 0 HD11 LEU A 33 -4.563 -9.615 11.581 1.00 1.22 H new ATOM 0 HD12 LEU A 33 -3.367 -8.791 12.610 1.00 1.22 H new ATOM 0 HD13 LEU A 33 -5.088 -8.350 12.718 1.00 1.22 H new ATOM 0 HD21 LEU A 33 -5.611 -8.429 9.692 1.00 0.83 H new ATOM 0 HD22 LEU A 33 -6.163 -7.106 10.746 1.00 0.83 H new ATOM 0 HD23 LEU A 33 -5.159 -6.748 9.321 1.00 0.83 H new ATOM 334 N ARG A 34 -4.302 -5.512 14.538 1.00 0.47 N ATOM 335 CA ARG A 34 -4.447 -5.926 15.927 1.00 0.58 C ATOM 336 C ARG A 34 -5.489 -5.070 16.646 1.00 0.58 C ATOM 337 O ARG A 34 -5.788 -5.294 17.817 1.00 0.69 O ATOM 338 CB ARG A 34 -3.096 -5.853 16.644 1.00 0.69 C ATOM 339 CG ARG A 34 -2.001 -6.659 15.954 1.00 1.40 C ATOM 340 CD ARG A 34 -2.383 -8.127 15.817 1.00 1.45 C ATOM 341 NE ARG A 34 -1.441 -8.865 14.975 1.00 2.17 N ATOM 342 CZ ARG A 34 -1.733 -10.016 14.364 1.00 2.52 C ATOM 343 NH1 ARG A 34 -2.919 -10.586 14.541 1.00 2.19 N ATOM 344 NH2 ARG A 34 -0.836 -10.596 13.578 1.00 3.49 N ATOM 0 H ARG A 34 -3.505 -4.901 14.360 1.00 0.47 H new ATOM 0 HA ARG A 34 -4.794 -6.959 15.944 1.00 0.58 H new ATOM 0 HB2 ARG A 34 -2.783 -4.811 16.710 1.00 0.69 H new ATOM 0 HB3 ARG A 34 -3.215 -6.215 17.665 1.00 0.69 H new ATOM 0 HG2 ARG A 34 -1.808 -6.240 14.967 1.00 1.40 H new ATOM 0 HG3 ARG A 34 -1.075 -6.576 16.522 1.00 1.40 H new ATOM 0 HD2 ARG A 34 -2.421 -8.585 16.805 1.00 1.45 H new ATOM 0 HD3 ARG A 34 -3.384 -8.202 15.392 1.00 1.45 H new ATOM 0 HE ARG A 34 -0.506 -8.477 14.847 1.00 2.17 H new ATOM 0 HH11 ARG A 34 -3.612 -10.145 15.146 1.00 2.19 H new ATOM 0 HH12 ARG A 34 -3.137 -11.465 14.072 1.00 2.19 H new ATOM 0 HH21 ARG A 34 0.077 -10.163 13.440 1.00 3.49 H new ATOM 0 HH22 ARG A 34 -1.059 -11.475 13.111 1.00 3.49 H new ATOM 358 N HIS A 35 -6.040 -4.089 15.940 1.00 0.53 N ATOM 359 CA HIS A 35 -7.129 -3.279 16.478 1.00 0.58 C ATOM 360 C HIS A 35 -8.468 -3.783 15.957 1.00 0.58 C ATOM 361 O HIS A 35 -9.525 -3.304 16.365 1.00 0.74 O ATOM 362 CB HIS A 35 -6.965 -1.800 16.110 1.00 0.59 C ATOM 363 CG HIS A 35 -5.827 -1.115 16.805 1.00 1.15 C ATOM 364 ND1 HIS A 35 -5.319 0.101 16.398 1.00 1.98 N ATOM 365 CD2 HIS A 35 -5.099 -1.478 17.888 1.00 1.61 C ATOM 366 CE1 HIS A 35 -4.334 0.452 17.198 1.00 2.68 C ATOM 367 NE2 HIS A 35 -4.180 -0.486 18.111 1.00 2.42 N ATOM 0 H HIS A 35 -5.752 -3.835 14.995 1.00 0.53 H new ATOM 0 HA HIS A 35 -7.099 -3.369 17.564 1.00 0.58 H new ATOM 0 HB2 HIS A 35 -6.819 -1.719 15.033 1.00 0.59 H new ATOM 0 HB3 HIS A 35 -7.890 -1.274 16.347 1.00 0.59 H new ATOM 0 HD2 HIS A 35 -5.220 -2.381 18.468 1.00 1.61 H new ATOM 0 HE1 HIS A 35 -3.750 1.357 17.119 1.00 2.68 H new ATOM 0 HE2 HIS A 35 -3.489 -0.475 18.861 1.00 2.42 H new ATOM 376 N GLY A 36 -8.409 -4.750 15.048 1.00 0.49 N ATOM 377 CA GLY A 36 -9.616 -5.294 14.458 1.00 0.51 C ATOM 378 C GLY A 36 -10.273 -4.321 13.501 1.00 0.47 C ATOM 379 O GLY A 36 -11.499 -4.224 13.452 1.00 0.53 O ATOM 0 H GLY A 36 -7.543 -5.168 14.709 1.00 0.49 H new ATOM 0 HA2 GLY A 36 -9.376 -6.216 13.928 1.00 0.51 H new ATOM 0 HA3 GLY A 36 -10.320 -5.555 15.249 1.00 0.51 H new ATOM 383 N GLY A 37 -9.451 -3.593 12.749 1.00 0.41 N ATOM 384 CA GLY A 37 -9.965 -2.609 11.813 1.00 0.40 C ATOM 385 C GLY A 37 -10.905 -3.209 10.786 1.00 0.39 C ATOM 386 O GLY A 37 -12.045 -2.765 10.642 1.00 0.52 O ATOM 0 H GLY A 37 -8.434 -3.668 12.772 1.00 0.41 H new ATOM 0 HA2 GLY A 37 -10.488 -1.828 12.365 1.00 0.40 H new ATOM 0 HA3 GLY A 37 -9.130 -2.132 11.300 1.00 0.40 H new ATOM 390 N LEU A 38 -10.433 -4.223 10.078 1.00 0.36 N ATOM 391 CA LEU A 38 -11.241 -4.886 9.063 1.00 0.41 C ATOM 392 C LEU A 38 -11.980 -6.085 9.660 1.00 0.49 C ATOM 393 O LEU A 38 -11.878 -6.345 10.860 1.00 0.83 O ATOM 394 CB LEU A 38 -10.373 -5.339 7.878 1.00 0.44 C ATOM 395 CG LEU A 38 -9.738 -4.224 7.029 1.00 0.44 C ATOM 396 CD1 LEU A 38 -10.794 -3.245 6.536 1.00 0.51 C ATOM 397 CD2 LEU A 38 -8.651 -3.491 7.800 1.00 0.47 C ATOM 0 H LEU A 38 -9.494 -4.606 10.187 1.00 0.36 H new ATOM 0 HA LEU A 38 -11.975 -4.167 8.699 1.00 0.41 H new ATOM 0 HB2 LEU A 38 -9.574 -5.973 8.263 1.00 0.44 H new ATOM 0 HB3 LEU A 38 -10.985 -5.960 7.224 1.00 0.44 H new ATOM 0 HG LEU A 38 -9.276 -4.696 6.162 1.00 0.44 H new ATOM 0 HD11 LEU A 38 -10.318 -2.467 5.939 1.00 0.51 H new ATOM 0 HD12 LEU A 38 -11.525 -3.775 5.926 1.00 0.51 H new ATOM 0 HD13 LEU A 38 -11.296 -2.791 7.390 1.00 0.51 H new ATOM 0 HD21 LEU A 38 -8.223 -2.710 7.172 1.00 0.47 H new ATOM 0 HD22 LEU A 38 -9.080 -3.042 8.696 1.00 0.47 H new ATOM 0 HD23 LEU A 38 -7.870 -4.195 8.086 1.00 0.47 H new ATOM 409 N SER A 39 -12.718 -6.808 8.824 1.00 0.47 N ATOM 410 CA SER A 39 -13.470 -7.976 9.275 1.00 0.54 C ATOM 411 C SER A 39 -12.532 -9.154 9.559 1.00 0.48 C ATOM 412 O SER A 39 -11.322 -9.031 9.398 1.00 0.46 O ATOM 413 CB SER A 39 -14.509 -8.360 8.222 1.00 0.67 C ATOM 414 OG SER A 39 -15.332 -7.251 7.897 1.00 1.42 O ATOM 0 H SER A 39 -12.812 -6.606 7.829 1.00 0.47 H new ATOM 0 HA SER A 39 -13.981 -7.724 10.204 1.00 0.54 H new ATOM 0 HB2 SER A 39 -14.007 -8.721 7.324 1.00 0.67 H new ATOM 0 HB3 SER A 39 -15.125 -9.179 8.594 1.00 0.67 H new ATOM 0 HG SER A 39 -15.989 -7.518 7.220 1.00 1.42 H new ATOM 420 N SER A 40 -13.083 -10.290 9.974 1.00 0.60 N ATOM 421 CA SER A 40 -12.268 -11.438 10.365 1.00 0.61 C ATOM 422 C SER A 40 -11.479 -11.994 9.176 1.00 0.53 C ATOM 423 O SER A 40 -10.253 -12.123 9.243 1.00 0.50 O ATOM 424 CB SER A 40 -13.151 -12.532 10.973 1.00 0.77 C ATOM 425 OG SER A 40 -12.366 -13.558 11.560 1.00 1.63 O ATOM 0 H SER A 40 -14.089 -10.442 10.049 1.00 0.60 H new ATOM 0 HA SER A 40 -11.552 -11.100 11.114 1.00 0.61 H new ATOM 0 HB2 SER A 40 -13.807 -12.096 11.727 1.00 0.77 H new ATOM 0 HB3 SER A 40 -13.791 -12.957 10.200 1.00 0.77 H new ATOM 0 HG SER A 40 -12.955 -14.242 11.942 1.00 1.63 H new ATOM 431 N ASP A 41 -12.179 -12.303 8.088 1.00 0.57 N ATOM 432 CA ASP A 41 -11.538 -12.838 6.885 1.00 0.58 C ATOM 433 C ASP A 41 -10.515 -11.850 6.354 1.00 0.53 C ATOM 434 O ASP A 41 -9.406 -12.225 5.969 1.00 0.56 O ATOM 435 CB ASP A 41 -12.570 -13.121 5.788 1.00 0.71 C ATOM 436 CG ASP A 41 -13.556 -14.204 6.163 1.00 1.25 C ATOM 437 OD1 ASP A 41 -14.592 -13.883 6.783 1.00 2.20 O ATOM 438 OD2 ASP A 41 -13.313 -15.378 5.822 1.00 1.69 O ATOM 0 H ASP A 41 -13.190 -12.193 8.012 1.00 0.57 H new ATOM 0 HA ASP A 41 -11.047 -13.772 7.159 1.00 0.58 H new ATOM 0 HB2 ASP A 41 -13.115 -12.204 5.565 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -12.050 -13.412 4.875 1.00 0.71 H new ATOM 443 N ALA A 42 -10.905 -10.586 6.350 1.00 0.51 N ATOM 444 CA ALA A 42 -10.053 -9.510 5.871 1.00 0.51 C ATOM 445 C ALA A 42 -8.840 -9.328 6.781 1.00 0.47 C ATOM 446 O ALA A 42 -7.745 -9.003 6.319 1.00 0.52 O ATOM 447 CB ALA A 42 -10.862 -8.228 5.793 1.00 0.54 C ATOM 0 H ALA A 42 -11.820 -10.277 6.678 1.00 0.51 H new ATOM 0 HA ALA A 42 -9.684 -9.764 4.877 1.00 0.51 H new ATOM 0 HB1 ALA A 42 -10.227 -7.418 5.434 1.00 0.54 H new ATOM 0 HB2 ALA A 42 -11.697 -8.366 5.106 1.00 0.54 H new ATOM 0 HB3 ALA A 42 -11.244 -7.978 6.783 1.00 0.54 H new ATOM 453 N GLN A 43 -9.053 -9.551 8.071 1.00 0.44 N ATOM 454 CA GLN A 43 -8.000 -9.454 9.074 1.00 0.45 C ATOM 455 C GLN A 43 -6.862 -10.414 8.748 1.00 0.45 C ATOM 456 O GLN A 43 -5.698 -10.022 8.677 1.00 0.48 O ATOM 457 CB GLN A 43 -8.576 -9.772 10.455 1.00 0.49 C ATOM 458 CG GLN A 43 -7.599 -9.585 11.600 1.00 0.82 C ATOM 459 CD GLN A 43 -8.216 -9.861 12.955 1.00 0.85 C ATOM 460 OE1 GLN A 43 -7.537 -10.311 13.876 1.00 1.56 O ATOM 461 NE2 GLN A 43 -9.503 -9.583 13.096 1.00 1.12 N ATOM 0 H GLN A 43 -9.964 -9.805 8.453 1.00 0.44 H new ATOM 0 HA GLN A 43 -7.604 -8.438 9.073 1.00 0.45 H new ATOM 0 HB2 GLN A 43 -9.445 -9.137 10.628 1.00 0.49 H new ATOM 0 HB3 GLN A 43 -8.929 -10.803 10.459 1.00 0.49 H new ATOM 0 HG2 GLN A 43 -6.745 -10.247 11.454 1.00 0.82 H new ATOM 0 HG3 GLN A 43 -7.217 -8.564 11.582 1.00 0.82 H new ATOM 0 HE21 GLN A 43 -10.034 -9.211 12.308 1.00 1.12 H new ATOM 0 HE22 GLN A 43 -9.964 -9.741 13.992 1.00 1.12 H new ATOM 470 N GLU A 44 -7.214 -11.670 8.523 1.00 0.49 N ATOM 471 CA GLU A 44 -6.229 -12.690 8.198 1.00 0.54 C ATOM 472 C GLU A 44 -5.471 -12.318 6.929 1.00 0.51 C ATOM 473 O GLU A 44 -4.287 -12.627 6.781 1.00 0.50 O ATOM 474 CB GLU A 44 -6.911 -14.040 8.004 1.00 0.68 C ATOM 475 CG GLU A 44 -7.760 -14.477 9.184 1.00 1.20 C ATOM 476 CD GLU A 44 -8.401 -15.823 8.951 1.00 1.65 C ATOM 477 OE1 GLU A 44 -9.490 -15.871 8.344 1.00 2.20 O ATOM 478 OE2 GLU A 44 -7.807 -16.846 9.355 1.00 2.36 O ATOM 0 H GLU A 44 -8.176 -12.008 8.559 1.00 0.49 H new ATOM 0 HA GLU A 44 -5.524 -12.757 9.026 1.00 0.54 H new ATOM 0 HB2 GLU A 44 -7.539 -13.994 7.115 1.00 0.68 H new ATOM 0 HB3 GLU A 44 -6.149 -14.797 7.817 1.00 0.68 H new ATOM 0 HG2 GLU A 44 -7.141 -14.521 10.080 1.00 1.20 H new ATOM 0 HG3 GLU A 44 -8.535 -13.733 9.368 1.00 1.20 H new ATOM 485 N SER A 45 -6.163 -11.634 6.026 1.00 0.54 N ATOM 486 CA SER A 45 -5.610 -11.293 4.729 1.00 0.59 C ATOM 487 C SER A 45 -4.570 -10.171 4.840 1.00 0.55 C ATOM 488 O SER A 45 -3.575 -10.181 4.113 1.00 0.58 O ATOM 489 CB SER A 45 -6.738 -10.898 3.770 1.00 0.71 C ATOM 490 OG SER A 45 -6.294 -10.888 2.424 1.00 1.04 O ATOM 0 H SER A 45 -7.117 -11.304 6.174 1.00 0.54 H new ATOM 0 HA SER A 45 -5.099 -12.170 4.333 1.00 0.59 H new ATOM 0 HB2 SER A 45 -7.568 -11.596 3.875 1.00 0.71 H new ATOM 0 HB3 SER A 45 -7.116 -9.911 4.037 1.00 0.71 H new ATOM 0 HG SER A 45 -6.359 -9.978 2.065 1.00 1.04 H new ATOM 496 N LEU A 46 -4.783 -9.211 5.748 1.00 0.56 N ATOM 497 CA LEU A 46 -3.793 -8.149 5.966 1.00 0.60 C ATOM 498 C LEU A 46 -2.484 -8.748 6.441 1.00 0.50 C ATOM 499 O LEU A 46 -1.419 -8.391 5.951 1.00 0.48 O ATOM 500 CB LEU A 46 -4.254 -7.117 7.002 1.00 0.74 C ATOM 501 CG LEU A 46 -5.290 -6.092 6.538 1.00 0.75 C ATOM 502 CD1 LEU A 46 -5.486 -5.011 7.591 1.00 1.28 C ATOM 503 CD2 LEU A 46 -4.879 -5.457 5.217 1.00 1.14 C ATOM 0 H LEU A 46 -5.616 -9.147 6.334 1.00 0.56 H new ATOM 0 HA LEU A 46 -3.666 -7.642 5.009 1.00 0.60 H new ATOM 0 HB2 LEU A 46 -4.666 -7.654 7.857 1.00 0.74 H new ATOM 0 HB3 LEU A 46 -3.377 -6.577 7.358 1.00 0.74 H new ATOM 0 HG LEU A 46 -6.233 -6.619 6.391 1.00 0.75 H new ATOM 0 HD11 LEU A 46 -6.227 -4.292 7.241 1.00 1.28 H new ATOM 0 HD12 LEU A 46 -5.832 -5.466 8.519 1.00 1.28 H new ATOM 0 HD13 LEU A 46 -4.540 -4.500 7.768 1.00 1.28 H new ATOM 0 HD21 LEU A 46 -5.634 -4.733 4.911 1.00 1.14 H new ATOM 0 HD22 LEU A 46 -3.920 -4.953 5.338 1.00 1.14 H new ATOM 0 HD23 LEU A 46 -4.788 -6.230 4.454 1.00 1.14 H new ATOM 515 N GLU A 47 -2.587 -9.661 7.395 1.00 0.49 N ATOM 516 CA GLU A 47 -1.426 -10.328 7.966 1.00 0.48 C ATOM 517 C GLU A 47 -0.565 -10.948 6.863 1.00 0.43 C ATOM 518 O GLU A 47 0.655 -10.769 6.834 1.00 0.45 O ATOM 519 CB GLU A 47 -1.900 -11.393 8.957 1.00 0.55 C ATOM 520 CG GLU A 47 -0.784 -12.131 9.670 1.00 0.81 C ATOM 521 CD GLU A 47 -1.307 -13.044 10.756 1.00 1.06 C ATOM 522 OE1 GLU A 47 -1.938 -14.072 10.426 1.00 1.76 O ATOM 523 OE2 GLU A 47 -1.101 -12.732 11.948 1.00 1.51 O ATOM 0 H GLU A 47 -3.476 -9.960 7.795 1.00 0.49 H new ATOM 0 HA GLU A 47 -0.809 -9.600 8.493 1.00 0.48 H new ATOM 0 HB2 GLU A 47 -2.539 -10.919 9.702 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -2.516 -12.118 8.425 1.00 0.55 H new ATOM 0 HG2 GLU A 47 -0.218 -12.717 8.946 1.00 0.81 H new ATOM 0 HG3 GLU A 47 -0.093 -11.409 10.106 1.00 0.81 H new ATOM 530 N VAL A 48 -1.214 -11.645 5.940 1.00 0.41 N ATOM 531 CA VAL A 48 -0.521 -12.246 4.809 1.00 0.42 C ATOM 532 C VAL A 48 0.027 -11.160 3.887 1.00 0.41 C ATOM 533 O VAL A 48 1.175 -11.228 3.446 1.00 0.43 O ATOM 534 CB VAL A 48 -1.454 -13.178 4.005 1.00 0.46 C ATOM 535 CG1 VAL A 48 -0.699 -13.858 2.876 1.00 0.49 C ATOM 536 CG2 VAL A 48 -2.088 -14.214 4.917 1.00 0.49 C ATOM 0 H VAL A 48 -2.221 -11.808 5.953 1.00 0.41 H new ATOM 0 HA VAL A 48 0.302 -12.840 5.206 1.00 0.42 H new ATOM 0 HB VAL A 48 -2.245 -12.569 3.568 1.00 0.46 H new ATOM 0 HG11 VAL A 48 -1.378 -14.509 2.325 1.00 0.49 H new ATOM 0 HG12 VAL A 48 -0.294 -13.103 2.203 1.00 0.49 H new ATOM 0 HG13 VAL A 48 0.117 -14.451 3.289 1.00 0.49 H new ATOM 0 HG21 VAL A 48 -2.742 -14.861 4.333 1.00 0.49 H new ATOM 0 HG22 VAL A 48 -1.307 -14.814 5.385 1.00 0.49 H new ATOM 0 HG23 VAL A 48 -2.671 -13.711 5.689 1.00 0.49 H new ATOM 546 N ALA A 49 -0.798 -10.151 3.621 1.00 0.41 N ATOM 547 CA ALA A 49 -0.427 -9.052 2.736 1.00 0.43 C ATOM 548 C ALA A 49 0.816 -8.326 3.236 1.00 0.43 C ATOM 549 O ALA A 49 1.665 -7.929 2.440 1.00 0.48 O ATOM 550 CB ALA A 49 -1.581 -8.073 2.595 1.00 0.44 C ATOM 0 H ALA A 49 -1.737 -10.072 4.011 1.00 0.41 H new ATOM 0 HA ALA A 49 -0.197 -9.478 1.759 1.00 0.43 H new ATOM 0 HB1 ALA A 49 -1.289 -7.259 1.932 1.00 0.44 H new ATOM 0 HB2 ALA A 49 -2.446 -8.588 2.178 1.00 0.44 H new ATOM 0 HB3 ALA A 49 -1.837 -7.669 3.574 1.00 0.44 H new ATOM 556 N ILE A 50 0.918 -8.159 4.551 1.00 0.40 N ATOM 557 CA ILE A 50 2.068 -7.500 5.159 1.00 0.40 C ATOM 558 C ILE A 50 3.364 -8.205 4.768 1.00 0.38 C ATOM 559 O ILE A 50 4.274 -7.587 4.210 1.00 0.41 O ATOM 560 CB ILE A 50 1.946 -7.455 6.700 1.00 0.43 C ATOM 561 CG1 ILE A 50 0.743 -6.600 7.111 1.00 0.53 C ATOM 562 CG2 ILE A 50 3.223 -6.909 7.325 1.00 0.47 C ATOM 563 CD1 ILE A 50 0.478 -6.592 8.601 1.00 0.61 C ATOM 0 H ILE A 50 0.214 -8.473 5.219 1.00 0.40 H new ATOM 0 HA ILE A 50 2.089 -6.476 4.785 1.00 0.40 H new ATOM 0 HB ILE A 50 1.795 -8.471 7.064 1.00 0.43 H new ATOM 0 HG12 ILE A 50 0.906 -5.576 6.775 1.00 0.53 H new ATOM 0 HG13 ILE A 50 -0.145 -6.967 6.596 1.00 0.53 H new ATOM 0 HG21 ILE A 50 3.116 -6.886 8.409 1.00 0.47 H new ATOM 0 HG22 ILE A 50 4.062 -7.550 7.057 1.00 0.47 H new ATOM 0 HG23 ILE A 50 3.406 -5.900 6.957 1.00 0.47 H new ATOM 0 HD11 ILE A 50 -0.388 -5.965 8.813 1.00 0.61 H new ATOM 0 HD12 ILE A 50 0.282 -7.609 8.941 1.00 0.61 H new ATOM 0 HD13 ILE A 50 1.349 -6.196 9.123 1.00 0.61 H new ATOM 575 N GLN A 51 3.433 -9.504 5.040 1.00 0.39 N ATOM 576 CA GLN A 51 4.609 -10.296 4.694 1.00 0.43 C ATOM 577 C GLN A 51 4.846 -10.317 3.184 1.00 0.43 C ATOM 578 O GLN A 51 5.994 -10.321 2.727 1.00 0.47 O ATOM 579 CB GLN A 51 4.474 -11.724 5.229 1.00 0.50 C ATOM 580 CG GLN A 51 5.111 -11.930 6.596 1.00 0.78 C ATOM 581 CD GLN A 51 4.552 -11.015 7.671 1.00 1.02 C ATOM 582 OE1 GLN A 51 3.382 -10.640 7.646 1.00 1.84 O ATOM 583 NE2 GLN A 51 5.391 -10.645 8.622 1.00 1.35 N ATOM 0 H GLN A 51 2.690 -10.031 5.499 1.00 0.39 H new ATOM 0 HA GLN A 51 5.472 -9.824 5.163 1.00 0.43 H new ATOM 0 HB2 GLN A 51 3.416 -11.981 5.289 1.00 0.50 H new ATOM 0 HB3 GLN A 51 4.930 -12.413 4.518 1.00 0.50 H new ATOM 0 HG2 GLN A 51 4.968 -12.966 6.902 1.00 0.78 H new ATOM 0 HG3 GLN A 51 6.186 -11.767 6.515 1.00 0.78 H new ATOM 0 HE21 GLN A 51 6.355 -10.977 8.609 1.00 1.35 H new ATOM 0 HE22 GLN A 51 5.074 -10.027 9.369 1.00 1.35 H new ATOM 592 N CYS A 52 3.766 -10.319 2.414 1.00 0.45 N ATOM 593 CA CYS A 52 3.870 -10.307 0.959 1.00 0.53 C ATOM 594 C CYS A 52 4.489 -9.001 0.468 1.00 0.53 C ATOM 595 O CYS A 52 5.431 -9.017 -0.321 1.00 0.60 O ATOM 596 CB CYS A 52 2.497 -10.518 0.318 1.00 0.59 C ATOM 597 SG CYS A 52 1.730 -12.101 0.725 1.00 0.69 S ATOM 0 H CYS A 52 2.810 -10.329 2.770 1.00 0.45 H new ATOM 0 HA CYS A 52 4.522 -11.128 0.662 1.00 0.53 H new ATOM 0 HB2 CYS A 52 1.833 -9.713 0.633 1.00 0.59 H new ATOM 0 HB3 CYS A 52 2.598 -10.443 -0.765 1.00 0.59 H new ATOM 0 HG CYS A 52 1.599 -12.201 2.014 1.00 0.69 H new ATOM 603 N LEU A 53 3.976 -7.873 0.950 1.00 0.50 N ATOM 604 CA LEU A 53 4.490 -6.564 0.556 1.00 0.54 C ATOM 605 C LEU A 53 5.938 -6.398 0.993 1.00 0.51 C ATOM 606 O LEU A 53 6.765 -5.877 0.243 1.00 0.58 O ATOM 607 CB LEU A 53 3.636 -5.442 1.154 1.00 0.63 C ATOM 608 CG LEU A 53 2.216 -5.327 0.596 1.00 0.54 C ATOM 609 CD1 LEU A 53 1.434 -4.276 1.365 1.00 0.76 C ATOM 610 CD2 LEU A 53 2.250 -4.983 -0.887 1.00 0.61 C ATOM 0 H LEU A 53 3.203 -7.838 1.615 1.00 0.50 H new ATOM 0 HA LEU A 53 4.442 -6.501 -0.531 1.00 0.54 H new ATOM 0 HB2 LEU A 53 3.573 -5.592 2.232 1.00 0.63 H new ATOM 0 HB3 LEU A 53 4.149 -4.494 0.993 1.00 0.63 H new ATOM 0 HG LEU A 53 1.718 -6.290 0.714 1.00 0.54 H new ATOM 0 HD11 LEU A 53 0.425 -4.203 0.959 1.00 0.76 H new ATOM 0 HD12 LEU A 53 1.382 -4.558 2.417 1.00 0.76 H new ATOM 0 HD13 LEU A 53 1.933 -3.311 1.272 1.00 0.76 H new ATOM 0 HD21 LEU A 53 1.231 -4.905 -1.266 1.00 0.61 H new ATOM 0 HD22 LEU A 53 2.763 -4.032 -1.028 1.00 0.61 H new ATOM 0 HD23 LEU A 53 2.780 -5.765 -1.430 1.00 0.61 H new ATOM 622 N GLU A 54 6.238 -6.857 2.201 1.00 0.47 N ATOM 623 CA GLU A 54 7.590 -6.792 2.739 1.00 0.51 C ATOM 624 C GLU A 54 8.574 -7.494 1.807 1.00 0.56 C ATOM 625 O GLU A 54 9.576 -6.912 1.388 1.00 0.65 O ATOM 626 CB GLU A 54 7.632 -7.436 4.126 1.00 0.56 C ATOM 627 CG GLU A 54 9.006 -7.403 4.769 1.00 0.73 C ATOM 628 CD GLU A 54 9.029 -8.052 6.134 1.00 1.05 C ATOM 629 OE1 GLU A 54 9.161 -9.291 6.208 1.00 1.62 O ATOM 630 OE2 GLU A 54 8.932 -7.326 7.144 1.00 1.65 O ATOM 0 H GLU A 54 5.557 -7.281 2.831 1.00 0.47 H new ATOM 0 HA GLU A 54 7.880 -5.745 2.822 1.00 0.51 H new ATOM 0 HB2 GLU A 54 6.923 -6.924 4.777 1.00 0.56 H new ATOM 0 HB3 GLU A 54 7.302 -8.472 4.047 1.00 0.56 H new ATOM 0 HG2 GLU A 54 9.719 -7.910 4.119 1.00 0.73 H new ATOM 0 HG3 GLU A 54 9.336 -6.368 4.858 1.00 0.73 H new ATOM 637 N THR A 55 8.259 -8.737 1.469 1.00 0.61 N ATOM 638 CA THR A 55 9.107 -9.544 0.605 1.00 0.78 C ATOM 639 C THR A 55 9.124 -8.998 -0.825 1.00 0.83 C ATOM 640 O THR A 55 10.132 -9.089 -1.528 1.00 0.98 O ATOM 641 CB THR A 55 8.615 -11.006 0.591 1.00 0.95 C ATOM 642 OG1 THR A 55 8.424 -11.469 1.938 1.00 1.00 O ATOM 643 CG2 THR A 55 9.608 -11.912 -0.120 1.00 1.16 C ATOM 0 H THR A 55 7.413 -9.212 1.784 1.00 0.61 H new ATOM 0 HA THR A 55 10.121 -9.503 1.003 1.00 0.78 H new ATOM 0 HB THR A 55 7.669 -11.040 0.051 1.00 0.95 H new ATOM 0 HG1 THR A 55 7.570 -11.132 2.282 1.00 1.00 H new ATOM 0 HG21 THR A 55 9.235 -12.936 -0.114 1.00 1.16 H new ATOM 0 HG22 THR A 55 9.733 -11.577 -1.150 1.00 1.16 H new ATOM 0 HG23 THR A 55 10.569 -11.873 0.394 1.00 1.16 H new ATOM 651 N ALA A 56 8.008 -8.412 -1.239 1.00 0.77 N ATOM 652 CA ALA A 56 7.849 -7.932 -2.605 1.00 0.88 C ATOM 653 C ALA A 56 8.645 -6.660 -2.863 1.00 0.88 C ATOM 654 O ALA A 56 9.275 -6.514 -3.905 1.00 1.15 O ATOM 655 CB ALA A 56 6.384 -7.697 -2.905 1.00 0.90 C ATOM 0 H ALA A 56 7.195 -8.257 -0.643 1.00 0.77 H new ATOM 0 HA ALA A 56 8.240 -8.702 -3.269 1.00 0.88 H new ATOM 0 HB1 ALA A 56 6.275 -7.338 -3.929 1.00 0.90 H new ATOM 0 HB2 ALA A 56 5.834 -8.631 -2.787 1.00 0.90 H new ATOM 0 HB3 ALA A 56 5.986 -6.952 -2.215 1.00 0.90 H new ATOM 661 N PHE A 57 8.605 -5.728 -1.928 1.00 0.76 N ATOM 662 CA PHE A 57 9.348 -4.495 -2.077 1.00 1.05 C ATOM 663 C PHE A 57 10.797 -4.682 -1.652 1.00 1.56 C ATOM 664 O PHE A 57 11.676 -3.914 -2.042 1.00 2.05 O ATOM 665 CB PHE A 57 8.697 -3.383 -1.262 1.00 1.04 C ATOM 666 CG PHE A 57 7.451 -2.811 -1.882 1.00 0.93 C ATOM 667 CD1 PHE A 57 6.248 -3.499 -1.829 1.00 1.50 C ATOM 668 CD2 PHE A 57 7.480 -1.572 -2.500 1.00 1.47 C ATOM 669 CE1 PHE A 57 5.102 -2.962 -2.383 1.00 1.50 C ATOM 670 CE2 PHE A 57 6.336 -1.028 -3.050 1.00 1.46 C ATOM 671 CZ PHE A 57 5.145 -1.724 -2.992 1.00 0.92 C ATOM 0 H PHE A 57 8.069 -5.802 -1.063 1.00 0.76 H new ATOM 0 HA PHE A 57 9.334 -4.213 -3.130 1.00 1.05 H new ATOM 0 HB2 PHE A 57 8.452 -3.769 -0.272 1.00 1.04 H new ATOM 0 HB3 PHE A 57 9.421 -2.580 -1.121 1.00 1.04 H new ATOM 0 HD1 PHE A 57 6.207 -4.466 -1.349 1.00 1.50 H new ATOM 0 HD2 PHE A 57 8.409 -1.024 -2.553 1.00 1.47 H new ATOM 0 HE1 PHE A 57 4.173 -3.511 -2.340 1.00 1.50 H new ATOM 0 HE2 PHE A 57 6.373 -0.059 -3.525 1.00 1.46 H new ATOM 0 HZ PHE A 57 4.249 -1.301 -3.422 1.00 0.92 H new ATOM 681 N GLY A 58 11.037 -5.722 -0.859 1.00 1.71 N ATOM 682 CA GLY A 58 12.375 -6.011 -0.390 1.00 2.29 C ATOM 683 C GLY A 58 12.775 -5.112 0.757 1.00 2.05 C ATOM 684 O GLY A 58 13.945 -4.767 0.912 1.00 2.60 O ATOM 0 H GLY A 58 10.322 -6.372 -0.533 1.00 1.71 H new ATOM 0 HA2 GLY A 58 12.432 -7.052 -0.072 1.00 2.29 H new ATOM 0 HA3 GLY A 58 13.082 -5.889 -1.211 1.00 2.29 H new ATOM 688 N VAL A 59 11.798 -4.742 1.569 1.00 1.35 N ATOM 689 CA VAL A 59 12.027 -3.806 2.657 1.00 1.13 C ATOM 690 C VAL A 59 11.963 -4.502 4.005 1.00 1.04 C ATOM 691 O VAL A 59 11.391 -5.584 4.127 1.00 1.22 O ATOM 692 CB VAL A 59 11.010 -2.645 2.627 1.00 0.93 C ATOM 693 CG1 VAL A 59 11.224 -1.798 1.390 1.00 1.23 C ATOM 694 CG2 VAL A 59 9.579 -3.159 2.667 1.00 1.00 C ATOM 0 H VAL A 59 10.837 -5.076 1.495 1.00 1.35 H new ATOM 0 HA VAL A 59 13.028 -3.398 2.517 1.00 1.13 H new ATOM 0 HB VAL A 59 11.172 -2.034 3.515 1.00 0.93 H new ATOM 0 HG11 VAL A 59 10.502 -0.982 1.378 1.00 1.23 H new ATOM 0 HG12 VAL A 59 12.234 -1.388 1.400 1.00 1.23 H new ATOM 0 HG13 VAL A 59 11.091 -2.413 0.500 1.00 1.23 H new ATOM 0 HG21 VAL A 59 8.889 -2.316 2.645 1.00 1.00 H new ATOM 0 HG22 VAL A 59 9.398 -3.799 1.804 1.00 1.00 H new ATOM 0 HG23 VAL A 59 9.423 -3.731 3.582 1.00 1.00 H new ATOM 704 N THR A 60 12.574 -3.887 5.003 1.00 1.18 N ATOM 705 CA THR A 60 12.557 -4.404 6.362 1.00 1.30 C ATOM 706 C THR A 60 12.431 -3.256 7.355 1.00 1.16 C ATOM 707 O THR A 60 12.206 -2.115 6.952 1.00 1.15 O ATOM 708 CB THR A 60 13.830 -5.218 6.677 1.00 1.94 C ATOM 709 OG1 THR A 60 14.992 -4.494 6.250 1.00 2.24 O ATOM 710 CG2 THR A 60 13.795 -6.581 6.004 1.00 2.38 C ATOM 0 H THR A 60 13.095 -3.017 4.895 1.00 1.18 H new ATOM 0 HA THR A 60 11.697 -5.068 6.452 1.00 1.30 H new ATOM 0 HB THR A 60 13.873 -5.373 7.755 1.00 1.94 H new ATOM 0 HG1 THR A 60 15.796 -5.016 6.455 1.00 2.24 H new ATOM 0 HG21 THR A 60 14.705 -7.129 6.245 1.00 2.38 H new ATOM 0 HG22 THR A 60 12.929 -7.140 6.359 1.00 2.38 H new ATOM 0 HG23 THR A 60 13.725 -6.452 4.924 1.00 2.38 H new ATOM 718 N VAL A 61 12.596 -3.542 8.639 1.00 1.41 N ATOM 719 CA VAL A 61 12.551 -2.506 9.667 1.00 1.59 C ATOM 720 C VAL A 61 13.690 -1.492 9.475 1.00 1.83 C ATOM 721 O VAL A 61 13.664 -0.388 10.021 1.00 2.11 O ATOM 722 CB VAL A 61 12.616 -3.131 11.077 1.00 1.81 C ATOM 723 CG1 VAL A 61 13.930 -3.864 11.282 1.00 2.21 C ATOM 724 CG2 VAL A 61 12.403 -2.080 12.158 1.00 1.95 C ATOM 0 H VAL A 61 12.762 -4.483 8.996 1.00 1.41 H new ATOM 0 HA VAL A 61 11.603 -1.977 9.569 1.00 1.59 H new ATOM 0 HB VAL A 61 11.807 -3.856 11.158 1.00 1.81 H new ATOM 0 HG11 VAL A 61 13.953 -4.296 12.282 1.00 2.21 H new ATOM 0 HG12 VAL A 61 14.023 -4.658 10.541 1.00 2.21 H new ATOM 0 HG13 VAL A 61 14.758 -3.164 11.170 1.00 2.21 H new ATOM 0 HG21 VAL A 61 12.455 -2.552 13.139 1.00 1.95 H new ATOM 0 HG22 VAL A 61 13.177 -1.317 12.081 1.00 1.95 H new ATOM 0 HG23 VAL A 61 11.424 -1.618 12.028 1.00 1.95 H new ATOM 734 N GLU A 62 14.677 -1.853 8.665 1.00 1.89 N ATOM 735 CA GLU A 62 15.760 -0.936 8.334 1.00 2.16 C ATOM 736 C GLU A 62 15.212 0.280 7.584 1.00 1.64 C ATOM 737 O GLU A 62 15.802 1.362 7.605 1.00 1.65 O ATOM 738 CB GLU A 62 16.824 -1.649 7.503 1.00 2.87 C ATOM 739 CG GLU A 62 17.474 -2.815 8.233 1.00 3.13 C ATOM 740 CD GLU A 62 18.172 -2.386 9.509 1.00 3.57 C ATOM 741 OE1 GLU A 62 19.369 -2.031 9.448 1.00 4.01 O ATOM 742 OE2 GLU A 62 17.529 -2.401 10.579 1.00 3.98 O ATOM 0 H GLU A 62 14.750 -2.771 8.226 1.00 1.89 H new ATOM 0 HA GLU A 62 16.223 -0.591 9.258 1.00 2.16 H new ATOM 0 HB2 GLU A 62 16.371 -2.013 6.581 1.00 2.87 H new ATOM 0 HB3 GLU A 62 17.594 -0.932 7.219 1.00 2.87 H new ATOM 0 HG2 GLU A 62 16.714 -3.559 8.471 1.00 3.13 H new ATOM 0 HG3 GLU A 62 18.195 -3.296 7.572 1.00 3.13 H new ATOM 749 N ASP A 63 14.058 0.100 6.948 1.00 1.38 N ATOM 750 CA ASP A 63 13.385 1.199 6.267 1.00 1.61 C ATOM 751 C ASP A 63 12.807 2.160 7.304 1.00 1.60 C ATOM 752 O ASP A 63 12.615 3.342 7.043 1.00 1.95 O ATOM 753 CB ASP A 63 12.276 0.670 5.353 1.00 1.89 C ATOM 754 CG ASP A 63 11.902 1.655 4.259 1.00 2.88 C ATOM 755 OD1 ASP A 63 11.068 2.546 4.510 1.00 3.35 O ATOM 756 OD2 ASP A 63 12.449 1.530 3.140 1.00 3.62 O ATOM 0 H ASP A 63 13.571 -0.795 6.891 1.00 1.38 H new ATOM 0 HA ASP A 63 14.108 1.730 5.647 1.00 1.61 H new ATOM 0 HB2 ASP A 63 12.600 -0.266 4.899 1.00 1.89 H new ATOM 0 HB3 ASP A 63 11.393 0.445 5.952 1.00 1.89 H new ATOM 761 N SER A 64 12.571 1.637 8.506 1.00 1.54 N ATOM 762 CA SER A 64 12.081 2.442 9.617 1.00 1.81 C ATOM 763 C SER A 64 13.189 3.357 10.119 1.00 1.74 C ATOM 764 O SER A 64 12.928 4.412 10.698 1.00 1.93 O ATOM 765 CB SER A 64 11.590 1.547 10.760 1.00 2.41 C ATOM 766 OG SER A 64 10.855 2.289 11.718 1.00 2.91 O ATOM 0 H SER A 64 12.713 0.653 8.733 1.00 1.54 H new ATOM 0 HA SER A 64 11.244 3.045 9.265 1.00 1.81 H new ATOM 0 HB2 SER A 64 10.965 0.750 10.357 1.00 2.41 H new ATOM 0 HB3 SER A 64 12.443 1.070 11.243 1.00 2.41 H new ATOM 0 HG SER A 64 10.554 1.691 12.434 1.00 2.91 H new ATOM 772 N ASP A 65 14.429 2.933 9.915 1.00 1.69 N ATOM 773 CA ASP A 65 15.578 3.774 10.233 1.00 2.03 C ATOM 774 C ASP A 65 15.596 4.998 9.326 1.00 1.90 C ATOM 775 O ASP A 65 15.865 6.113 9.769 1.00 2.28 O ATOM 776 CB ASP A 65 16.886 2.993 10.084 1.00 2.26 C ATOM 777 CG ASP A 65 18.106 3.877 10.261 1.00 2.89 C ATOM 778 OD1 ASP A 65 18.420 4.242 11.414 1.00 3.46 O ATOM 779 OD2 ASP A 65 18.747 4.223 9.245 1.00 3.35 O ATOM 0 H ASP A 65 14.666 2.017 9.533 1.00 1.69 H new ATOM 0 HA ASP A 65 15.488 4.097 11.270 1.00 2.03 H new ATOM 0 HB2 ASP A 65 16.913 2.189 10.819 1.00 2.26 H new ATOM 0 HB3 ASP A 65 16.918 2.526 9.100 1.00 2.26 H new ATOM 784 N LEU A 66 15.285 4.782 8.055 1.00 1.52 N ATOM 785 CA LEU A 66 15.229 5.872 7.085 1.00 1.61 C ATOM 786 C LEU A 66 13.798 6.389 6.918 1.00 1.45 C ATOM 787 O LEU A 66 13.447 6.961 5.881 1.00 1.72 O ATOM 788 CB LEU A 66 15.813 5.412 5.740 1.00 1.77 C ATOM 789 CG LEU A 66 15.186 4.150 5.136 1.00 1.59 C ATOM 790 CD1 LEU A 66 14.065 4.502 4.170 1.00 1.87 C ATOM 791 CD2 LEU A 66 16.242 3.313 4.438 1.00 1.57 C ATOM 0 H LEU A 66 15.067 3.863 7.670 1.00 1.52 H new ATOM 0 HA LEU A 66 15.832 6.699 7.459 1.00 1.61 H new ATOM 0 HB2 LEU A 66 15.708 6.226 5.023 1.00 1.77 H new ATOM 0 HB3 LEU A 66 16.881 5.238 5.870 1.00 1.77 H new ATOM 0 HG LEU A 66 14.759 3.565 5.951 1.00 1.59 H new ATOM 0 HD11 LEU A 66 13.639 3.587 3.758 1.00 1.87 H new ATOM 0 HD12 LEU A 66 13.290 5.057 4.699 1.00 1.87 H new ATOM 0 HD13 LEU A 66 14.461 5.115 3.360 1.00 1.87 H new ATOM 0 HD21 LEU A 66 15.779 2.421 4.015 1.00 1.57 H new ATOM 0 HD22 LEU A 66 16.700 3.897 3.640 1.00 1.57 H new ATOM 0 HD23 LEU A 66 17.007 3.019 5.157 1.00 1.57 H new ATOM 803 N ALA A 67 12.987 6.208 7.956 1.00 1.30 N ATOM 804 CA ALA A 67 11.584 6.611 7.929 1.00 1.26 C ATOM 805 C ALA A 67 11.432 8.116 7.745 1.00 1.27 C ATOM 806 O ALA A 67 12.354 8.891 8.015 1.00 1.53 O ATOM 807 CB ALA A 67 10.890 6.175 9.205 1.00 1.48 C ATOM 0 H ALA A 67 13.281 5.781 8.834 1.00 1.30 H new ATOM 0 HA ALA A 67 11.117 6.121 7.075 1.00 1.26 H new ATOM 0 HB1 ALA A 67 9.844 6.481 9.173 1.00 1.48 H new ATOM 0 HB2 ALA A 67 10.948 5.091 9.298 1.00 1.48 H new ATOM 0 HB3 ALA A 67 11.378 6.640 10.062 1.00 1.48 H new ATOM 813 N LEU A 68 10.257 8.521 7.297 1.00 1.15 N ATOM 814 CA LEU A 68 9.978 9.921 7.031 1.00 1.28 C ATOM 815 C LEU A 68 9.503 10.625 8.297 1.00 1.55 C ATOM 816 O LEU A 68 9.049 9.961 9.230 1.00 1.55 O ATOM 817 CB LEU A 68 8.923 10.036 5.931 1.00 1.24 C ATOM 818 CG LEU A 68 9.329 9.430 4.588 1.00 1.18 C ATOM 819 CD1 LEU A 68 8.181 9.510 3.605 1.00 1.20 C ATOM 820 CD2 LEU A 68 10.554 10.135 4.031 1.00 1.18 C ATOM 0 H LEU A 68 9.475 7.894 7.108 1.00 1.15 H new ATOM 0 HA LEU A 68 10.896 10.405 6.698 1.00 1.28 H new ATOM 0 HB2 LEU A 68 8.009 9.550 6.272 1.00 1.24 H new ATOM 0 HB3 LEU A 68 8.687 11.090 5.782 1.00 1.24 H new ATOM 0 HG LEU A 68 9.579 8.381 4.746 1.00 1.18 H new ATOM 0 HD11 LEU A 68 8.486 9.074 2.653 1.00 1.20 H new ATOM 0 HD12 LEU A 68 7.326 8.960 3.999 1.00 1.20 H new ATOM 0 HD13 LEU A 68 7.903 10.553 3.454 1.00 1.20 H new ATOM 0 HD21 LEU A 68 10.827 9.689 3.075 1.00 1.18 H new ATOM 0 HD22 LEU A 68 10.332 11.192 3.888 1.00 1.18 H new ATOM 0 HD23 LEU A 68 11.384 10.030 4.730 1.00 1.18 H new ATOM 832 N PRO A 69 9.623 11.967 8.354 1.00 1.93 N ATOM 833 CA PRO A 69 9.213 12.763 9.520 1.00 2.35 C ATOM 834 C PRO A 69 7.869 12.326 10.102 1.00 2.24 C ATOM 835 O PRO A 69 7.744 12.104 11.309 1.00 2.61 O ATOM 836 CB PRO A 69 9.111 14.173 8.947 1.00 2.74 C ATOM 837 CG PRO A 69 10.135 14.209 7.866 1.00 2.56 C ATOM 838 CD PRO A 69 10.195 12.819 7.290 1.00 2.06 C ATOM 0 HA PRO A 69 9.914 12.661 10.348 1.00 2.35 H new ATOM 0 HB2 PRO A 69 8.113 14.372 8.556 1.00 2.74 H new ATOM 0 HB3 PRO A 69 9.311 14.927 9.709 1.00 2.74 H new ATOM 0 HG2 PRO A 69 9.865 14.936 7.100 1.00 2.56 H new ATOM 0 HG3 PRO A 69 11.106 14.508 8.261 1.00 2.56 H new ATOM 0 HD2 PRO A 69 9.621 12.744 6.367 1.00 2.06 H new ATOM 0 HD3 PRO A 69 11.219 12.529 7.053 1.00 2.06 H new ATOM 846 N GLN A 70 6.873 12.197 9.240 1.00 1.83 N ATOM 847 CA GLN A 70 5.554 11.761 9.664 1.00 1.81 C ATOM 848 C GLN A 70 5.259 10.387 9.093 1.00 1.42 C ATOM 849 O GLN A 70 6.024 9.865 8.281 1.00 1.30 O ATOM 850 CB GLN A 70 4.485 12.756 9.212 1.00 1.92 C ATOM 851 CG GLN A 70 4.214 12.744 7.716 1.00 1.65 C ATOM 852 CD GLN A 70 3.188 13.783 7.327 1.00 2.17 C ATOM 853 OE1 GLN A 70 3.529 14.919 6.996 1.00 2.65 O ATOM 854 NE2 GLN A 70 1.923 13.413 7.391 1.00 2.75 N ATOM 0 H GLN A 70 6.954 12.389 8.241 1.00 1.83 H new ATOM 0 HA GLN A 70 5.538 11.710 10.753 1.00 1.81 H new ATOM 0 HB2 GLN A 70 3.556 12.539 9.740 1.00 1.92 H new ATOM 0 HB3 GLN A 70 4.792 13.760 9.506 1.00 1.92 H new ATOM 0 HG2 GLN A 70 5.143 12.929 7.176 1.00 1.65 H new ATOM 0 HG3 GLN A 70 3.863 11.756 7.417 1.00 1.65 H new ATOM 0 HE21 GLN A 70 1.683 12.462 7.670 1.00 2.75 H new ATOM 0 HE22 GLN A 70 1.185 14.078 7.161 1.00 2.75 H new ATOM 863 N THR A 71 4.154 9.802 9.515 1.00 1.36 N ATOM 864 CA THR A 71 3.739 8.521 8.991 1.00 1.13 C ATOM 865 C THR A 71 3.022 8.708 7.662 1.00 0.86 C ATOM 866 O THR A 71 2.296 9.687 7.457 1.00 0.83 O ATOM 867 CB THR A 71 2.820 7.780 9.980 1.00 1.23 C ATOM 868 OG1 THR A 71 1.738 8.630 10.374 1.00 1.53 O ATOM 869 CG2 THR A 71 3.597 7.330 11.209 1.00 1.55 C ATOM 0 H THR A 71 3.530 10.196 10.219 1.00 1.36 H new ATOM 0 HA THR A 71 4.633 7.916 8.840 1.00 1.13 H new ATOM 0 HB THR A 71 2.422 6.897 9.481 1.00 1.23 H new ATOM 0 HG1 THR A 71 1.157 8.151 11.001 1.00 1.53 H new ATOM 0 HG21 THR A 71 2.927 6.809 11.893 1.00 1.55 H new ATOM 0 HG22 THR A 71 4.400 6.658 10.906 1.00 1.55 H new ATOM 0 HG23 THR A 71 4.022 8.200 11.710 1.00 1.55 H new ATOM 877 N LEU A 72 3.247 7.773 6.755 1.00 0.80 N ATOM 878 CA LEU A 72 2.641 7.827 5.433 1.00 0.65 C ATOM 879 C LEU A 72 1.132 7.595 5.491 1.00 0.65 C ATOM 880 O LEU A 72 0.395 8.285 4.796 1.00 0.66 O ATOM 881 CB LEU A 72 3.309 6.837 4.476 1.00 0.78 C ATOM 882 CG LEU A 72 4.703 7.239 3.984 1.00 0.97 C ATOM 883 CD1 LEU A 72 4.669 8.652 3.436 1.00 1.47 C ATOM 884 CD2 LEU A 72 5.737 7.130 5.097 1.00 1.79 C ATOM 0 H LEU A 72 3.848 6.963 6.910 1.00 0.80 H new ATOM 0 HA LEU A 72 2.803 8.833 5.047 1.00 0.65 H new ATOM 0 HB2 LEU A 72 3.383 5.870 4.973 1.00 0.78 H new ATOM 0 HB3 LEU A 72 2.661 6.701 3.610 1.00 0.78 H new ATOM 0 HG LEU A 72 4.994 6.551 3.190 1.00 0.97 H new ATOM 0 HD11 LEU A 72 5.663 8.931 3.088 1.00 1.47 H new ATOM 0 HD12 LEU A 72 3.966 8.703 2.605 1.00 1.47 H new ATOM 0 HD13 LEU A 72 4.353 9.339 4.221 1.00 1.47 H new ATOM 0 HD21 LEU A 72 6.715 7.422 4.715 1.00 1.79 H new ATOM 0 HD22 LEU A 72 5.457 7.788 5.919 1.00 1.79 H new ATOM 0 HD23 LEU A 72 5.780 6.101 5.454 1.00 1.79 H new ATOM 896 N PRO A 73 0.642 6.615 6.291 1.00 0.75 N ATOM 897 CA PRO A 73 -0.790 6.458 6.558 1.00 0.84 C ATOM 898 C PRO A 73 -1.492 7.791 6.814 1.00 0.80 C ATOM 899 O PRO A 73 -2.588 8.029 6.310 1.00 0.82 O ATOM 900 CB PRO A 73 -0.811 5.601 7.819 1.00 1.03 C ATOM 901 CG PRO A 73 0.419 4.764 7.735 1.00 1.07 C ATOM 902 CD PRO A 73 1.427 5.542 6.934 1.00 0.84 C ATOM 0 HA PRO A 73 -1.317 6.022 5.709 1.00 0.84 H new ATOM 0 HB2 PRO A 73 -0.808 6.219 8.717 1.00 1.03 H new ATOM 0 HB3 PRO A 73 -1.708 4.982 7.861 1.00 1.03 H new ATOM 0 HG2 PRO A 73 0.804 4.544 8.731 1.00 1.07 H new ATOM 0 HG3 PRO A 73 0.203 3.808 7.258 1.00 1.07 H new ATOM 0 HD2 PRO A 73 2.210 5.951 7.572 1.00 0.84 H new ATOM 0 HD3 PRO A 73 1.917 4.911 6.193 1.00 0.84 H new ATOM 910 N GLU A 74 -0.842 8.660 7.583 1.00 0.78 N ATOM 911 CA GLU A 74 -1.391 9.973 7.891 1.00 0.78 C ATOM 912 C GLU A 74 -1.513 10.819 6.622 1.00 0.64 C ATOM 913 O GLU A 74 -2.535 11.474 6.398 1.00 0.64 O ATOM 914 CB GLU A 74 -0.511 10.675 8.925 1.00 0.87 C ATOM 915 CG GLU A 74 -1.004 12.056 9.314 1.00 1.22 C ATOM 916 CD GLU A 74 -0.213 12.648 10.458 1.00 1.48 C ATOM 917 OE1 GLU A 74 0.936 13.080 10.234 1.00 2.28 O ATOM 918 OE2 GLU A 74 -0.743 12.700 11.588 1.00 1.67 O ATOM 0 H GLU A 74 0.068 8.476 8.005 1.00 0.78 H new ATOM 0 HA GLU A 74 -2.390 9.847 8.308 1.00 0.78 H new ATOM 0 HB2 GLU A 74 -0.453 10.055 9.820 1.00 0.87 H new ATOM 0 HB3 GLU A 74 0.501 10.759 8.529 1.00 0.87 H new ATOM 0 HG2 GLU A 74 -0.940 12.718 8.451 1.00 1.22 H new ATOM 0 HG3 GLU A 74 -2.056 11.998 9.594 1.00 1.22 H new ATOM 925 N ILE A 75 -0.477 10.785 5.788 1.00 0.58 N ATOM 926 CA ILE A 75 -0.499 11.486 4.507 1.00 0.53 C ATOM 927 C ILE A 75 -1.584 10.903 3.611 1.00 0.49 C ATOM 928 O ILE A 75 -2.244 11.621 2.858 1.00 0.53 O ATOM 929 CB ILE A 75 0.857 11.389 3.767 1.00 0.60 C ATOM 930 CG1 ILE A 75 1.987 11.931 4.642 1.00 0.73 C ATOM 931 CG2 ILE A 75 0.802 12.142 2.441 1.00 0.68 C ATOM 932 CD1 ILE A 75 3.340 11.943 3.960 1.00 1.38 C ATOM 0 H ILE A 75 0.389 10.279 5.976 1.00 0.58 H new ATOM 0 HA ILE A 75 -0.702 12.535 4.722 1.00 0.53 H new ATOM 0 HB ILE A 75 1.056 10.338 3.558 1.00 0.60 H new ATOM 0 HG12 ILE A 75 1.738 12.946 4.952 1.00 0.73 H new ATOM 0 HG13 ILE A 75 2.053 11.328 5.548 1.00 0.73 H new ATOM 0 HG21 ILE A 75 1.765 12.061 1.937 1.00 0.68 H new ATOM 0 HG22 ILE A 75 0.025 11.711 1.810 1.00 0.68 H new ATOM 0 HG23 ILE A 75 0.577 13.192 2.628 1.00 0.68 H new ATOM 0 HD11 ILE A 75 4.089 12.341 4.645 1.00 1.38 H new ATOM 0 HD12 ILE A 75 3.613 10.927 3.674 1.00 1.38 H new ATOM 0 HD13 ILE A 75 3.293 12.570 3.070 1.00 1.38 H new ATOM 944 N PHE A 76 -1.774 9.595 3.715 1.00 0.50 N ATOM 945 CA PHE A 76 -2.745 8.896 2.890 1.00 0.56 C ATOM 946 C PHE A 76 -4.170 9.319 3.242 1.00 0.60 C ATOM 947 O PHE A 76 -5.071 9.261 2.407 1.00 0.72 O ATOM 948 CB PHE A 76 -2.603 7.375 3.036 1.00 0.65 C ATOM 949 CG PHE A 76 -1.256 6.827 2.640 1.00 2.05 C ATOM 950 CD1 PHE A 76 -0.407 7.538 1.804 1.00 2.34 C ATOM 951 CD2 PHE A 76 -0.841 5.590 3.108 1.00 2.12 C ATOM 952 CE1 PHE A 76 0.824 7.025 1.446 1.00 2.34 C ATOM 953 CE2 PHE A 76 0.389 5.073 2.752 1.00 2.24 C ATOM 954 CZ PHE A 76 1.222 5.793 1.920 1.00 2.36 C ATOM 0 H PHE A 76 -1.266 8.996 4.366 1.00 0.50 H new ATOM 0 HA PHE A 76 -2.545 9.167 1.853 1.00 0.56 H new ATOM 0 HB2 PHE A 76 -2.800 7.103 4.073 1.00 0.65 H new ATOM 0 HB3 PHE A 76 -3.369 6.892 2.429 1.00 0.65 H new ATOM 0 HD1 PHE A 76 -0.712 8.504 1.429 1.00 2.34 H new ATOM 0 HD2 PHE A 76 -1.489 5.023 3.760 1.00 2.12 H new ATOM 0 HE1 PHE A 76 1.475 7.589 0.795 1.00 2.34 H new ATOM 0 HE2 PHE A 76 0.698 4.107 3.124 1.00 2.24 H new ATOM 0 HZ PHE A 76 2.185 5.392 1.640 1.00 2.36 H new ATOM 964 N GLU A 77 -4.370 9.744 4.480 1.00 0.63 N ATOM 965 CA GLU A 77 -5.680 10.201 4.917 1.00 0.73 C ATOM 966 C GLU A 77 -5.892 11.667 4.547 1.00 0.69 C ATOM 967 O GLU A 77 -7.020 12.106 4.332 1.00 0.80 O ATOM 968 CB GLU A 77 -5.839 10.004 6.426 1.00 0.90 C ATOM 969 CG GLU A 77 -5.643 8.562 6.863 1.00 1.56 C ATOM 970 CD GLU A 77 -5.883 8.347 8.342 1.00 1.94 C ATOM 971 OE1 GLU A 77 -5.098 8.861 9.161 1.00 2.52 O ATOM 972 OE2 GLU A 77 -6.857 7.645 8.697 1.00 2.41 O ATOM 0 H GLU A 77 -3.646 9.782 5.197 1.00 0.63 H new ATOM 0 HA GLU A 77 -6.437 9.606 4.407 1.00 0.73 H new ATOM 0 HB2 GLU A 77 -5.120 10.636 6.947 1.00 0.90 H new ATOM 0 HB3 GLU A 77 -6.832 10.337 6.727 1.00 0.90 H new ATOM 0 HG2 GLU A 77 -6.319 7.923 6.296 1.00 1.56 H new ATOM 0 HG3 GLU A 77 -4.628 8.250 6.618 1.00 1.56 H new ATOM 979 N ALA A 78 -4.799 12.415 4.460 1.00 0.61 N ATOM 980 CA ALA A 78 -4.872 13.842 4.165 1.00 0.62 C ATOM 981 C ALA A 78 -4.828 14.119 2.662 1.00 0.60 C ATOM 982 O ALA A 78 -5.773 14.663 2.093 1.00 0.65 O ATOM 983 CB ALA A 78 -3.744 14.579 4.869 1.00 0.64 C ATOM 0 H ALA A 78 -3.852 12.058 4.589 1.00 0.61 H new ATOM 0 HA ALA A 78 -5.830 14.206 4.536 1.00 0.62 H new ATOM 0 HB1 ALA A 78 -3.808 15.643 4.642 1.00 0.64 H new ATOM 0 HB2 ALA A 78 -3.829 14.432 5.946 1.00 0.64 H new ATOM 0 HB3 ALA A 78 -2.785 14.191 4.525 1.00 0.64 H new ATOM 989 N ALA A 79 -3.732 13.743 2.022 1.00 0.65 N ATOM 990 CA ALA A 79 -3.531 14.045 0.611 1.00 0.75 C ATOM 991 C ALA A 79 -4.144 12.973 -0.278 1.00 0.86 C ATOM 992 O ALA A 79 -4.837 13.277 -1.246 1.00 0.99 O ATOM 993 CB ALA A 79 -2.047 14.190 0.310 1.00 0.83 C ATOM 0 H ALA A 79 -2.967 13.228 2.457 1.00 0.65 H new ATOM 0 HA ALA A 79 -4.033 14.988 0.396 1.00 0.75 H new ATOM 0 HB1 ALA A 79 -1.911 14.416 -0.748 1.00 0.83 H new ATOM 0 HB2 ALA A 79 -1.631 14.999 0.910 1.00 0.83 H new ATOM 0 HB3 ALA A 79 -1.534 13.259 0.551 1.00 0.83 H new ATOM 999 N ALA A 80 -3.913 11.716 0.076 1.00 0.91 N ATOM 1000 CA ALA A 80 -4.357 10.596 -0.748 1.00 1.12 C ATOM 1001 C ALA A 80 -5.867 10.405 -0.690 1.00 1.27 C ATOM 1002 O ALA A 80 -6.413 9.549 -1.382 1.00 1.56 O ATOM 1003 CB ALA A 80 -3.658 9.314 -0.336 1.00 1.25 C ATOM 0 H ALA A 80 -3.421 11.445 0.927 1.00 0.91 H new ATOM 0 HA ALA A 80 -4.090 10.835 -1.777 1.00 1.12 H new ATOM 0 HB1 ALA A 80 -4.004 8.493 -0.964 1.00 1.25 H new ATOM 0 HB2 ALA A 80 -2.581 9.432 -0.455 1.00 1.25 H new ATOM 0 HB3 ALA A 80 -3.886 9.094 0.707 1.00 1.25 H new ATOM 1009 N THR A 81 -6.546 11.181 0.143 1.00 1.23 N ATOM 1010 CA THR A 81 -7.992 11.107 0.204 1.00 1.46 C ATOM 1011 C THR A 81 -8.612 11.816 -1.000 1.00 1.63 C ATOM 1012 O THR A 81 -9.798 11.650 -1.290 1.00 1.89 O ATOM 1013 CB THR A 81 -8.557 11.697 1.515 1.00 1.60 C ATOM 1014 OG1 THR A 81 -9.922 11.288 1.682 1.00 2.33 O ATOM 1015 CG2 THR A 81 -8.481 13.215 1.517 1.00 1.65 C ATOM 0 H THR A 81 -6.123 11.859 0.776 1.00 1.23 H new ATOM 0 HA THR A 81 -8.259 10.050 0.182 1.00 1.46 H new ATOM 0 HB THR A 81 -7.952 11.322 2.341 1.00 1.60 H new ATOM 0 HG1 THR A 81 -10.318 11.105 0.805 1.00 2.33 H new ATOM 0 HG21 THR A 81 -8.886 13.598 2.453 1.00 1.65 H new ATOM 0 HG22 THR A 81 -7.442 13.527 1.417 1.00 1.65 H new ATOM 0 HG23 THR A 81 -9.060 13.609 0.682 1.00 1.65 H new ATOM 1023 N GLY A 82 -7.799 12.593 -1.702 1.00 1.69 N ATOM 1024 CA GLY A 82 -8.270 13.292 -2.875 1.00 2.14 C ATOM 1025 C GLY A 82 -7.134 13.899 -3.664 1.00 2.00 C ATOM 1026 O GLY A 82 -6.610 13.282 -4.591 1.00 2.59 O ATOM 0 H GLY A 82 -6.817 12.751 -1.476 1.00 1.69 H new ATOM 0 HA2 GLY A 82 -8.825 12.602 -3.510 1.00 2.14 H new ATOM 0 HA3 GLY A 82 -8.964 14.077 -2.575 1.00 2.14 H new ATOM 1030 N LYS A 83 -6.756 15.111 -3.293 1.00 1.89 N ATOM 1031 CA LYS A 83 -5.667 15.820 -3.947 1.00 2.11 C ATOM 1032 C LYS A 83 -4.847 16.554 -2.897 1.00 2.84 C ATOM 1033 O LYS A 83 -3.633 16.301 -2.795 1.00 3.20 O ATOM 1034 CB LYS A 83 -6.201 16.824 -4.976 1.00 2.31 C ATOM 1035 CG LYS A 83 -7.166 16.228 -5.990 1.00 2.78 C ATOM 1036 CD LYS A 83 -7.664 17.273 -6.978 1.00 3.44 C ATOM 1037 CE LYS A 83 -8.325 18.453 -6.275 1.00 3.93 C ATOM 1038 NZ LYS A 83 -9.450 18.034 -5.398 1.00 4.41 N ATOM 1039 OXT LYS A 83 -5.439 17.372 -2.160 1.00 3.62 O ATOM 0 H LYS A 83 -7.194 15.631 -2.532 1.00 1.89 H new ATOM 0 HA LYS A 83 -5.044 15.094 -4.471 1.00 2.11 H new ATOM 0 HB2 LYS A 83 -6.702 17.635 -4.448 1.00 2.31 H new ATOM 0 HB3 LYS A 83 -5.358 17.263 -5.509 1.00 2.31 H new ATOM 0 HG2 LYS A 83 -6.672 15.422 -6.532 1.00 2.78 H new ATOM 0 HG3 LYS A 83 -8.015 15.787 -5.468 1.00 2.78 H new ATOM 0 HD2 LYS A 83 -6.828 17.631 -7.579 1.00 3.44 H new ATOM 0 HD3 LYS A 83 -8.376 16.814 -7.663 1.00 3.44 H new ATOM 0 HE2 LYS A 83 -7.580 18.980 -5.679 1.00 3.93 H new ATOM 0 HE3 LYS A 83 -8.693 19.157 -7.021 1.00 3.93 H new ATOM 0 HZ1 LYS A 83 -9.930 18.877 -5.023 1.00 4.41 H new ATOM 0 HZ2 LYS A 83 -10.126 17.466 -5.948 1.00 4.41 H new ATOM 0 HZ3 LYS A 83 -9.082 17.466 -4.609 1.00 4.41 H new TER 1053 LYS A 83 ATOM 1054 N MET B 15 -14.635 8.330 7.809 1.00 2.24 N ATOM 1055 CA MET B 15 -14.217 8.277 6.391 1.00 1.67 C ATOM 1056 C MET B 15 -13.162 7.200 6.192 1.00 1.40 C ATOM 1057 O MET B 15 -12.130 7.206 6.859 1.00 1.55 O ATOM 1058 CB MET B 15 -13.668 9.637 5.952 1.00 1.81 C ATOM 1059 CG MET B 15 -13.096 9.642 4.545 1.00 2.21 C ATOM 1060 SD MET B 15 -14.310 9.184 3.295 1.00 3.03 S ATOM 1061 CE MET B 15 -13.313 9.293 1.812 1.00 3.68 C ATOM 0 HA MET B 15 -15.086 8.033 5.780 1.00 1.67 H new ATOM 0 HB2 MET B 15 -14.466 10.377 6.012 1.00 1.81 H new ATOM 0 HB3 MET B 15 -12.891 9.948 6.651 1.00 1.81 H new ATOM 0 HG2 MET B 15 -12.706 10.635 4.320 1.00 2.21 H new ATOM 0 HG3 MET B 15 -12.254 8.951 4.498 1.00 2.21 H new ATOM 0 HE1 MET B 15 -13.959 9.249 0.935 1.00 3.68 H new ATOM 0 HE2 MET B 15 -12.764 10.234 1.811 1.00 3.68 H new ATOM 0 HE3 MET B 15 -12.608 8.462 1.785 1.00 3.68 H new ATOM 1073 N ASP B 16 -13.427 6.269 5.285 1.00 1.24 N ATOM 1074 CA ASP B 16 -12.490 5.188 5.016 1.00 1.13 C ATOM 1075 C ASP B 16 -11.934 5.290 3.606 1.00 0.91 C ATOM 1076 O ASP B 16 -12.346 4.558 2.710 1.00 1.01 O ATOM 1077 CB ASP B 16 -13.146 3.819 5.218 1.00 1.39 C ATOM 1078 CG ASP B 16 -13.450 3.518 6.673 1.00 1.84 C ATOM 1079 OD1 ASP B 16 -12.512 3.540 7.498 1.00 2.42 O ATOM 1080 OD2 ASP B 16 -14.628 3.244 6.999 1.00 2.27 O ATOM 0 H ASP B 16 -14.279 6.241 4.726 1.00 1.24 H new ATOM 0 HA ASP B 16 -11.669 5.286 5.727 1.00 1.13 H new ATOM 0 HB2 ASP B 16 -14.071 3.777 4.643 1.00 1.39 H new ATOM 0 HB3 ASP B 16 -12.489 3.045 4.822 1.00 1.39 H new ATOM 1085 N ASN B 17 -10.982 6.194 3.422 1.00 0.78 N ATOM 1086 CA ASN B 17 -10.319 6.377 2.134 1.00 0.75 C ATOM 1087 C ASN B 17 -9.292 5.270 1.922 1.00 0.62 C ATOM 1088 O ASN B 17 -8.680 5.153 0.862 1.00 0.65 O ATOM 1089 CB ASN B 17 -9.646 7.753 2.083 1.00 0.93 C ATOM 1090 CG ASN B 17 -9.160 8.130 0.695 1.00 1.57 C ATOM 1091 OD1 ASN B 17 -9.914 8.682 -0.107 1.00 2.52 O ATOM 1092 ND2 ASN B 17 -7.893 7.870 0.410 1.00 1.71 N ATOM 0 H ASN B 17 -10.647 6.819 4.155 1.00 0.78 H new ATOM 0 HA ASN B 17 -11.060 6.325 1.336 1.00 0.75 H new ATOM 0 HB2 ASN B 17 -10.351 8.508 2.432 1.00 0.93 H new ATOM 0 HB3 ASN B 17 -8.801 7.763 2.772 1.00 0.93 H new ATOM 0 HD21 ASN B 17 -7.511 8.129 -0.500 1.00 1.71 H new ATOM 0 HD22 ASN B 17 -7.299 7.411 1.100 1.00 1.71 H new ATOM 1099 N LYS B 18 -9.124 4.456 2.957 1.00 0.59 N ATOM 1100 CA LYS B 18 -8.183 3.341 2.945 1.00 0.62 C ATOM 1101 C LYS B 18 -8.467 2.391 1.780 1.00 0.54 C ATOM 1102 O LYS B 18 -7.563 1.734 1.269 1.00 0.48 O ATOM 1103 CB LYS B 18 -8.272 2.587 4.274 1.00 0.82 C ATOM 1104 CG LYS B 18 -8.148 3.493 5.492 1.00 1.09 C ATOM 1105 CD LYS B 18 -6.728 4.003 5.674 1.00 1.04 C ATOM 1106 CE LYS B 18 -6.684 5.259 6.534 1.00 1.43 C ATOM 1107 NZ LYS B 18 -7.402 5.100 7.829 1.00 1.89 N ATOM 0 H LYS B 18 -9.639 4.551 3.833 1.00 0.59 H new ATOM 0 HA LYS B 18 -7.176 3.737 2.815 1.00 0.62 H new ATOM 0 HB2 LYS B 18 -9.223 2.057 4.320 1.00 0.82 H new ATOM 0 HB3 LYS B 18 -7.485 1.833 4.309 1.00 0.82 H new ATOM 0 HG2 LYS B 18 -8.827 4.339 5.386 1.00 1.09 H new ATOM 0 HG3 LYS B 18 -8.455 2.947 6.384 1.00 1.09 H new ATOM 0 HD2 LYS B 18 -6.119 3.225 6.135 1.00 1.04 H new ATOM 0 HD3 LYS B 18 -6.290 4.215 4.699 1.00 1.04 H new ATOM 0 HE2 LYS B 18 -5.645 5.522 6.731 1.00 1.43 H new ATOM 0 HE3 LYS B 18 -7.124 6.088 5.980 1.00 1.43 H new ATOM 0 HZ1 LYS B 18 -7.212 5.924 8.435 1.00 1.89 H new ATOM 0 HZ2 LYS B 18 -8.424 5.028 7.653 1.00 1.89 H new ATOM 0 HZ3 LYS B 18 -7.071 4.237 8.306 1.00 1.89 H new ATOM 1121 N LYS B 19 -9.727 2.329 1.367 1.00 0.61 N ATOM 1122 CA LYS B 19 -10.126 1.498 0.239 1.00 0.61 C ATOM 1123 C LYS B 19 -9.475 1.975 -1.058 1.00 0.53 C ATOM 1124 O LYS B 19 -8.901 1.178 -1.801 1.00 0.55 O ATOM 1125 CB LYS B 19 -11.653 1.480 0.099 1.00 0.77 C ATOM 1126 CG LYS B 19 -12.301 2.856 0.132 1.00 0.82 C ATOM 1127 CD LYS B 19 -13.801 2.778 -0.106 1.00 1.20 C ATOM 1128 CE LYS B 19 -14.479 1.801 0.842 1.00 1.06 C ATOM 1129 NZ LYS B 19 -14.312 2.197 2.266 1.00 1.49 N ATOM 0 H LYS B 19 -10.492 2.847 1.799 1.00 0.61 H new ATOM 0 HA LYS B 19 -9.781 0.482 0.433 1.00 0.61 H new ATOM 0 HB2 LYS B 19 -11.914 0.991 -0.839 1.00 0.77 H new ATOM 0 HB3 LYS B 19 -12.073 0.874 0.902 1.00 0.77 H new ATOM 0 HG2 LYS B 19 -12.110 3.325 1.097 1.00 0.82 H new ATOM 0 HG3 LYS B 19 -11.845 3.491 -0.627 1.00 0.82 H new ATOM 0 HD2 LYS B 19 -14.240 3.768 0.019 1.00 1.20 H new ATOM 0 HD3 LYS B 19 -13.989 2.474 -1.136 1.00 1.20 H new ATOM 0 HE2 LYS B 19 -15.541 1.744 0.604 1.00 1.06 H new ATOM 0 HE3 LYS B 19 -14.064 0.804 0.692 1.00 1.06 H new ATOM 0 HZ1 LYS B 19 -13.742 1.481 2.761 1.00 1.49 H new ATOM 0 HZ2 LYS B 19 -13.831 3.118 2.316 1.00 1.49 H new ATOM 0 HZ3 LYS B 19 -15.246 2.269 2.718 1.00 1.49 H new ATOM 1143 N ARG B 20 -9.534 3.283 -1.299 1.00 0.55 N ATOM 1144 CA ARG B 20 -8.952 3.871 -2.500 1.00 0.59 C ATOM 1145 C ARG B 20 -7.441 3.699 -2.478 1.00 0.55 C ATOM 1146 O ARG B 20 -6.792 3.596 -3.519 1.00 0.61 O ATOM 1147 CB ARG B 20 -9.307 5.356 -2.596 1.00 0.70 C ATOM 1148 CG ARG B 20 -10.802 5.638 -2.559 1.00 0.82 C ATOM 1149 CD ARG B 20 -11.082 7.128 -2.634 1.00 1.01 C ATOM 1150 NE ARG B 20 -12.511 7.430 -2.586 1.00 1.31 N ATOM 1151 CZ ARG B 20 -13.014 8.585 -2.143 1.00 1.46 C ATOM 1152 NH1 ARG B 20 -12.205 9.521 -1.652 1.00 1.33 N ATOM 1153 NH2 ARG B 20 -14.324 8.797 -2.169 1.00 2.34 N ATOM 0 H ARG B 20 -9.980 3.956 -0.676 1.00 0.55 H new ATOM 0 HA ARG B 20 -9.360 3.360 -3.372 1.00 0.59 H new ATOM 0 HB2 ARG B 20 -8.827 5.888 -1.775 1.00 0.70 H new ATOM 0 HB3 ARG B 20 -8.894 5.759 -3.521 1.00 0.70 H new ATOM 0 HG2 ARG B 20 -11.291 5.131 -3.391 1.00 0.82 H new ATOM 0 HG3 ARG B 20 -11.229 5.231 -1.642 1.00 0.82 H new ATOM 0 HD2 ARG B 20 -10.579 7.631 -1.808 1.00 1.01 H new ATOM 0 HD3 ARG B 20 -10.660 7.528 -3.556 1.00 1.01 H new ATOM 0 HE ARG B 20 -13.163 6.716 -2.910 1.00 1.31 H new ATOM 0 HH11 ARG B 20 -11.199 9.357 -1.614 1.00 1.33 H new ATOM 0 HH12 ARG B 20 -12.591 10.403 -1.314 1.00 1.33 H new ATOM 0 HH21 ARG B 20 -14.950 8.076 -2.528 1.00 2.34 H new ATOM 0 HH22 ARG B 20 -14.704 9.680 -1.830 1.00 2.34 H new ATOM 1167 N LEU B 21 -6.894 3.673 -1.269 1.00 0.54 N ATOM 1168 CA LEU B 21 -5.481 3.408 -1.061 1.00 0.58 C ATOM 1169 C LEU B 21 -5.110 2.043 -1.636 1.00 0.57 C ATOM 1170 O LEU B 21 -4.231 1.940 -2.492 1.00 0.64 O ATOM 1171 CB LEU B 21 -5.162 3.476 0.440 1.00 0.64 C ATOM 1172 CG LEU B 21 -3.808 2.901 0.875 1.00 0.60 C ATOM 1173 CD1 LEU B 21 -2.663 3.618 0.177 1.00 0.70 C ATOM 1174 CD2 LEU B 21 -3.656 3.008 2.382 1.00 0.61 C ATOM 0 H LEU B 21 -7.418 3.835 -0.409 1.00 0.54 H new ATOM 0 HA LEU B 21 -4.890 4.163 -1.579 1.00 0.58 H new ATOM 0 HB2 LEU B 21 -5.206 4.519 0.752 1.00 0.64 H new ATOM 0 HB3 LEU B 21 -5.947 2.948 0.981 1.00 0.64 H new ATOM 0 HG LEU B 21 -3.774 1.850 0.589 1.00 0.60 H new ATOM 0 HD11 LEU B 21 -1.714 3.192 0.503 1.00 0.70 H new ATOM 0 HD12 LEU B 21 -2.763 3.499 -0.902 1.00 0.70 H new ATOM 0 HD13 LEU B 21 -2.690 4.678 0.429 1.00 0.70 H new ATOM 0 HD21 LEU B 21 -2.692 2.597 2.681 1.00 0.61 H new ATOM 0 HD22 LEU B 21 -3.712 4.055 2.680 1.00 0.61 H new ATOM 0 HD23 LEU B 21 -4.455 2.449 2.869 1.00 0.61 H new ATOM 1186 N ALA B 22 -5.806 1.007 -1.181 1.00 0.55 N ATOM 1187 CA ALA B 22 -5.545 -0.354 -1.636 1.00 0.63 C ATOM 1188 C ALA B 22 -5.798 -0.491 -3.129 1.00 0.51 C ATOM 1189 O ALA B 22 -5.006 -1.100 -3.846 1.00 0.44 O ATOM 1190 CB ALA B 22 -6.406 -1.341 -0.873 1.00 0.83 C ATOM 0 H ALA B 22 -6.557 1.084 -0.495 1.00 0.55 H new ATOM 0 HA ALA B 22 -4.495 -0.575 -1.444 1.00 0.63 H new ATOM 0 HB1 ALA B 22 -6.199 -2.352 -1.224 1.00 0.83 H new ATOM 0 HB2 ALA B 22 -6.181 -1.274 0.191 1.00 0.83 H new ATOM 0 HB3 ALA B 22 -7.458 -1.108 -1.036 1.00 0.83 H new ATOM 1196 N TYR B 23 -6.906 0.083 -3.581 1.00 0.62 N ATOM 1197 CA TYR B 23 -7.274 0.063 -4.991 1.00 0.75 C ATOM 1198 C TYR B 23 -6.136 0.575 -5.870 1.00 0.66 C ATOM 1199 O TYR B 23 -5.732 -0.085 -6.829 1.00 0.66 O ATOM 1200 CB TYR B 23 -8.535 0.908 -5.207 1.00 1.10 C ATOM 1201 CG TYR B 23 -8.629 1.529 -6.583 1.00 1.02 C ATOM 1202 CD1 TYR B 23 -8.865 0.749 -7.704 1.00 1.86 C ATOM 1203 CD2 TYR B 23 -8.460 2.897 -6.757 1.00 1.46 C ATOM 1204 CE1 TYR B 23 -8.930 1.314 -8.959 1.00 2.48 C ATOM 1205 CE2 TYR B 23 -8.527 3.469 -8.011 1.00 1.83 C ATOM 1206 CZ TYR B 23 -8.760 2.673 -9.108 1.00 2.22 C ATOM 1207 OH TYR B 23 -8.824 3.236 -10.364 1.00 2.99 O ATOM 0 H TYR B 23 -7.572 0.573 -2.984 1.00 0.62 H new ATOM 0 HA TYR B 23 -7.475 -0.969 -5.278 1.00 0.75 H new ATOM 0 HB2 TYR B 23 -9.412 0.283 -5.041 1.00 1.10 H new ATOM 0 HB3 TYR B 23 -8.562 1.700 -4.459 1.00 1.10 H new ATOM 0 HD1 TYR B 23 -9.000 -0.317 -7.592 1.00 1.86 H new ATOM 0 HD2 TYR B 23 -8.273 3.523 -5.897 1.00 1.46 H new ATOM 0 HE1 TYR B 23 -9.114 0.693 -9.823 1.00 2.48 H new ATOM 0 HE2 TYR B 23 -8.397 4.535 -8.130 1.00 1.83 H new ATOM 0 HH TYR B 23 -8.684 4.204 -10.296 1.00 2.99 H new ATOM 1217 N ALA B 24 -5.618 1.743 -5.533 1.00 0.72 N ATOM 1218 CA ALA B 24 -4.572 2.373 -6.321 1.00 0.87 C ATOM 1219 C ALA B 24 -3.289 1.557 -6.291 1.00 0.75 C ATOM 1220 O ALA B 24 -2.541 1.508 -7.270 1.00 0.84 O ATOM 1221 CB ALA B 24 -4.322 3.767 -5.809 1.00 1.14 C ATOM 0 H ALA B 24 -5.907 2.278 -4.714 1.00 0.72 H new ATOM 0 HA ALA B 24 -4.905 2.424 -7.358 1.00 0.87 H new ATOM 0 HB1 ALA B 24 -3.537 4.237 -6.402 1.00 1.14 H new ATOM 0 HB2 ALA B 24 -5.237 4.353 -5.889 1.00 1.14 H new ATOM 0 HB3 ALA B 24 -4.010 3.721 -4.766 1.00 1.14 H new ATOM 1227 N ILE B 25 -3.042 0.927 -5.154 1.00 0.63 N ATOM 1228 CA ILE B 25 -1.904 0.039 -4.998 1.00 0.71 C ATOM 1229 C ILE B 25 -2.047 -1.150 -5.942 1.00 0.61 C ATOM 1230 O ILE B 25 -1.111 -1.498 -6.660 1.00 0.66 O ATOM 1231 CB ILE B 25 -1.771 -0.445 -3.535 1.00 0.80 C ATOM 1232 CG1 ILE B 25 -1.430 0.737 -2.622 1.00 0.97 C ATOM 1233 CG2 ILE B 25 -0.717 -1.536 -3.412 1.00 0.91 C ATOM 1234 CD1 ILE B 25 -1.368 0.377 -1.154 1.00 0.89 C ATOM 0 H ILE B 25 -3.621 1.016 -4.319 1.00 0.63 H new ATOM 0 HA ILE B 25 -0.998 0.590 -5.249 1.00 0.71 H new ATOM 0 HB ILE B 25 -2.726 -0.869 -3.225 1.00 0.80 H new ATOM 0 HG12 ILE B 25 -0.469 1.153 -2.925 1.00 0.97 H new ATOM 0 HG13 ILE B 25 -2.175 1.520 -2.763 1.00 0.97 H new ATOM 0 HG21 ILE B 25 -0.645 -1.857 -2.373 1.00 0.91 H new ATOM 0 HG22 ILE B 25 -0.998 -2.385 -4.035 1.00 0.91 H new ATOM 0 HG23 ILE B 25 0.248 -1.149 -3.740 1.00 0.91 H new ATOM 0 HD11 ILE B 25 -1.122 1.265 -0.572 1.00 0.89 H new ATOM 0 HD12 ILE B 25 -2.335 -0.011 -0.833 1.00 0.89 H new ATOM 0 HD13 ILE B 25 -0.603 -0.383 -0.998 1.00 0.89 H new ATOM 1246 N ILE B 26 -3.239 -1.741 -5.958 1.00 0.53 N ATOM 1247 CA ILE B 26 -3.569 -2.820 -6.886 1.00 0.53 C ATOM 1248 C ILE B 26 -3.275 -2.397 -8.324 1.00 0.51 C ATOM 1249 O ILE B 26 -2.650 -3.132 -9.088 1.00 0.53 O ATOM 1250 CB ILE B 26 -5.064 -3.211 -6.767 1.00 0.58 C ATOM 1251 CG1 ILE B 26 -5.342 -3.839 -5.397 1.00 0.67 C ATOM 1252 CG2 ILE B 26 -5.483 -4.154 -7.892 1.00 0.62 C ATOM 1253 CD1 ILE B 26 -6.806 -4.132 -5.147 1.00 0.78 C ATOM 0 H ILE B 26 -4.002 -1.487 -5.330 1.00 0.53 H new ATOM 0 HA ILE B 26 -2.953 -3.681 -6.627 1.00 0.53 H new ATOM 0 HB ILE B 26 -5.660 -2.303 -6.861 1.00 0.58 H new ATOM 0 HG12 ILE B 26 -4.775 -4.766 -5.311 1.00 0.67 H new ATOM 0 HG13 ILE B 26 -4.977 -3.168 -4.619 1.00 0.67 H new ATOM 0 HG21 ILE B 26 -6.537 -4.409 -7.779 1.00 0.62 H new ATOM 0 HG22 ILE B 26 -5.329 -3.664 -8.854 1.00 0.62 H new ATOM 0 HG23 ILE B 26 -4.883 -5.063 -7.847 1.00 0.62 H new ATOM 0 HD11 ILE B 26 -6.925 -4.575 -4.158 1.00 0.78 H new ATOM 0 HD12 ILE B 26 -7.377 -3.205 -5.200 1.00 0.78 H new ATOM 0 HD13 ILE B 26 -7.172 -4.827 -5.902 1.00 0.78 H new ATOM 1265 N GLN B 27 -3.712 -1.192 -8.661 1.00 0.54 N ATOM 1266 CA GLN B 27 -3.560 -0.649 -10.004 1.00 0.62 C ATOM 1267 C GLN B 27 -2.093 -0.479 -10.395 1.00 0.55 C ATOM 1268 O GLN B 27 -1.658 -0.979 -11.433 1.00 0.57 O ATOM 1269 CB GLN B 27 -4.285 0.694 -10.090 1.00 0.79 C ATOM 1270 CG GLN B 27 -5.795 0.561 -10.013 1.00 0.89 C ATOM 1271 CD GLN B 27 -6.373 -0.229 -11.173 1.00 1.10 C ATOM 1272 OE1 GLN B 27 -5.849 -0.199 -12.284 1.00 1.58 O ATOM 1273 NE2 GLN B 27 -7.445 -0.959 -10.916 1.00 1.34 N ATOM 0 H GLN B 27 -4.182 -0.562 -8.011 1.00 0.54 H new ATOM 0 HA GLN B 27 -3.999 -1.359 -10.705 1.00 0.62 H new ATOM 0 HB2 GLN B 27 -3.941 1.338 -9.281 1.00 0.79 H new ATOM 0 HB3 GLN B 27 -4.017 1.186 -11.025 1.00 0.79 H new ATOM 0 HG2 GLN B 27 -6.065 0.074 -9.076 1.00 0.89 H new ATOM 0 HG3 GLN B 27 -6.243 1.555 -9.996 1.00 0.89 H new ATOM 0 HE21 GLN B 27 -7.851 -0.957 -9.980 1.00 1.34 H new ATOM 0 HE22 GLN B 27 -7.866 -1.524 -11.654 1.00 1.34 H new ATOM 1282 N PHE B 28 -1.333 0.221 -9.563 1.00 0.52 N ATOM 1283 CA PHE B 28 0.065 0.506 -9.869 1.00 0.51 C ATOM 1284 C PHE B 28 0.898 -0.764 -9.845 1.00 0.43 C ATOM 1285 O PHE B 28 1.670 -1.028 -10.768 1.00 0.42 O ATOM 1286 CB PHE B 28 0.637 1.513 -8.878 1.00 0.60 C ATOM 1287 CG PHE B 28 2.052 1.926 -9.178 1.00 0.90 C ATOM 1288 CD1 PHE B 28 2.336 2.723 -10.276 1.00 1.60 C ATOM 1289 CD2 PHE B 28 3.096 1.526 -8.358 1.00 1.62 C ATOM 1290 CE1 PHE B 28 3.633 3.111 -10.551 1.00 1.98 C ATOM 1291 CE2 PHE B 28 4.394 1.909 -8.629 1.00 1.96 C ATOM 1292 CZ PHE B 28 4.663 2.703 -9.727 1.00 1.83 C ATOM 0 H PHE B 28 -1.658 0.601 -8.674 1.00 0.52 H new ATOM 0 HA PHE B 28 0.104 0.931 -10.872 1.00 0.51 H new ATOM 0 HB2 PHE B 28 0.004 2.400 -8.870 1.00 0.60 H new ATOM 0 HB3 PHE B 28 0.598 1.085 -7.876 1.00 0.60 H new ATOM 0 HD1 PHE B 28 1.534 3.044 -10.924 1.00 1.60 H new ATOM 0 HD2 PHE B 28 2.891 0.907 -7.497 1.00 1.62 H new ATOM 0 HE1 PHE B 28 3.841 3.733 -11.409 1.00 1.98 H new ATOM 0 HE2 PHE B 28 5.198 1.588 -7.984 1.00 1.96 H new ATOM 0 HZ PHE B 28 5.678 3.004 -9.941 1.00 1.83 H new ATOM 1302 N LEU B 29 0.738 -1.544 -8.784 1.00 0.45 N ATOM 1303 CA LEU B 29 1.478 -2.790 -8.634 1.00 0.45 C ATOM 1304 C LEU B 29 1.192 -3.741 -9.790 1.00 0.45 C ATOM 1305 O LEU B 29 2.072 -4.480 -10.207 1.00 0.48 O ATOM 1306 CB LEU B 29 1.161 -3.465 -7.297 1.00 0.53 C ATOM 1307 CG LEU B 29 2.037 -3.033 -6.113 1.00 0.59 C ATOM 1308 CD1 LEU B 29 1.973 -1.526 -5.887 1.00 0.57 C ATOM 1309 CD2 LEU B 29 1.617 -3.777 -4.856 1.00 0.70 C ATOM 0 H LEU B 29 0.102 -1.336 -8.014 1.00 0.45 H new ATOM 0 HA LEU B 29 2.540 -2.543 -8.648 1.00 0.45 H new ATOM 0 HB2 LEU B 29 0.119 -3.265 -7.047 1.00 0.53 H new ATOM 0 HB3 LEU B 29 1.257 -4.543 -7.423 1.00 0.53 H new ATOM 0 HG LEU B 29 3.071 -3.285 -6.350 1.00 0.59 H new ATOM 0 HD11 LEU B 29 2.606 -1.258 -5.041 1.00 0.57 H new ATOM 0 HD12 LEU B 29 2.323 -1.009 -6.780 1.00 0.57 H new ATOM 0 HD13 LEU B 29 0.944 -1.233 -5.678 1.00 0.57 H new ATOM 0 HD21 LEU B 29 2.244 -3.464 -4.021 1.00 0.70 H new ATOM 0 HD22 LEU B 29 0.575 -3.552 -4.631 1.00 0.70 H new ATOM 0 HD23 LEU B 29 1.731 -4.850 -5.013 1.00 0.70 H new ATOM 1321 N HIS B 30 -0.033 -3.704 -10.307 1.00 0.47 N ATOM 1322 CA HIS B 30 -0.407 -4.507 -11.472 1.00 0.53 C ATOM 1323 C HIS B 30 0.532 -4.235 -12.646 1.00 0.48 C ATOM 1324 O HIS B 30 1.189 -5.143 -13.157 1.00 0.49 O ATOM 1325 CB HIS B 30 -1.856 -4.198 -11.879 1.00 0.67 C ATOM 1326 CG HIS B 30 -2.273 -4.790 -13.195 1.00 0.94 C ATOM 1327 ND1 HIS B 30 -2.275 -4.074 -14.375 1.00 1.11 N ATOM 1328 CD2 HIS B 30 -2.712 -6.031 -13.510 1.00 1.18 C ATOM 1329 CE1 HIS B 30 -2.698 -4.847 -15.356 1.00 1.38 C ATOM 1330 NE2 HIS B 30 -2.968 -6.038 -14.858 1.00 1.41 N ATOM 0 H HIS B 30 -0.787 -3.125 -9.938 1.00 0.47 H new ATOM 0 HA HIS B 30 -0.324 -5.560 -11.203 1.00 0.53 H new ATOM 0 HB2 HIS B 30 -2.525 -4.566 -11.101 1.00 0.67 H new ATOM 0 HB3 HIS B 30 -1.985 -3.117 -11.924 1.00 0.67 H new ATOM 0 HD1 HIS B 30 -1.993 -3.099 -14.473 1.00 1.11 H new ATOM 0 HD2 HIS B 30 -2.837 -6.860 -12.829 1.00 1.18 H new ATOM 0 HE1 HIS B 30 -2.805 -4.555 -16.390 1.00 1.38 H new ATOM 1339 N ASP B 31 0.597 -2.979 -13.059 1.00 0.48 N ATOM 1340 CA ASP B 31 1.393 -2.595 -14.216 1.00 0.52 C ATOM 1341 C ASP B 31 2.881 -2.679 -13.914 1.00 0.45 C ATOM 1342 O ASP B 31 3.660 -3.138 -14.747 1.00 0.50 O ATOM 1343 CB ASP B 31 1.016 -1.188 -14.684 1.00 0.63 C ATOM 1344 CG ASP B 31 -0.314 -1.164 -15.412 1.00 1.24 C ATOM 1345 OD1 ASP B 31 -1.333 -1.578 -14.821 1.00 1.98 O ATOM 1346 OD2 ASP B 31 -0.345 -0.747 -16.590 1.00 1.79 O ATOM 0 H ASP B 31 0.107 -2.206 -12.609 1.00 0.48 H new ATOM 0 HA ASP B 31 1.176 -3.298 -15.020 1.00 0.52 H new ATOM 0 HB2 ASP B 31 0.969 -0.521 -13.823 1.00 0.63 H new ATOM 0 HB3 ASP B 31 1.796 -0.805 -15.342 1.00 0.63 H new ATOM 1351 N GLN B 32 3.270 -2.256 -12.717 1.00 0.42 N ATOM 1352 CA GLN B 32 4.666 -2.330 -12.290 1.00 0.44 C ATOM 1353 C GLN B 32 5.152 -3.775 -12.318 1.00 0.38 C ATOM 1354 O GLN B 32 6.290 -4.060 -12.698 1.00 0.43 O ATOM 1355 CB GLN B 32 4.817 -1.766 -10.876 1.00 0.52 C ATOM 1356 CG GLN B 32 6.245 -1.809 -10.344 1.00 0.57 C ATOM 1357 CD GLN B 32 6.348 -1.342 -8.905 1.00 1.17 C ATOM 1358 OE1 GLN B 32 7.359 -0.778 -8.498 1.00 1.93 O ATOM 1359 NE2 GLN B 32 5.309 -1.583 -8.120 1.00 1.31 N ATOM 0 H GLN B 32 2.639 -1.857 -12.022 1.00 0.42 H new ATOM 0 HA GLN B 32 5.269 -1.738 -12.978 1.00 0.44 H new ATOM 0 HB2 GLN B 32 4.467 -0.734 -10.868 1.00 0.52 H new ATOM 0 HB3 GLN B 32 4.171 -2.327 -10.201 1.00 0.52 H new ATOM 0 HG2 GLN B 32 6.626 -2.828 -10.419 1.00 0.57 H new ATOM 0 HG3 GLN B 32 6.881 -1.184 -10.971 1.00 0.57 H new ATOM 0 HE21 GLN B 32 4.486 -2.054 -8.494 1.00 1.31 H new ATOM 0 HE22 GLN B 32 5.332 -1.297 -7.141 1.00 1.31 H new ATOM 1368 N LEU B 33 4.269 -4.682 -11.928 1.00 0.37 N ATOM 1369 CA LEU B 33 4.588 -6.095 -11.865 1.00 0.42 C ATOM 1370 C LEU B 33 4.876 -6.634 -13.261 1.00 0.46 C ATOM 1371 O LEU B 33 5.849 -7.356 -13.475 1.00 0.53 O ATOM 1372 CB LEU B 33 3.418 -6.852 -11.222 1.00 0.53 C ATOM 1373 CG LEU B 33 3.760 -8.185 -10.554 1.00 0.80 C ATOM 1374 CD1 LEU B 33 3.930 -9.287 -11.584 1.00 1.22 C ATOM 1375 CD2 LEU B 33 5.016 -8.035 -9.714 1.00 0.83 C ATOM 0 H LEU B 33 3.314 -4.457 -11.648 1.00 0.37 H new ATOM 0 HA LEU B 33 5.481 -6.239 -11.257 1.00 0.42 H new ATOM 0 HB2 LEU B 33 2.959 -6.203 -10.476 1.00 0.53 H new ATOM 0 HB3 LEU B 33 2.666 -7.037 -11.990 1.00 0.53 H new ATOM 0 HG LEU B 33 2.932 -8.468 -9.904 1.00 0.80 H new ATOM 0 HD11 LEU B 33 4.173 -10.222 -11.080 1.00 1.22 H new ATOM 0 HD12 LEU B 33 3.003 -9.407 -12.145 1.00 1.22 H new ATOM 0 HD13 LEU B 33 4.737 -9.024 -12.268 1.00 1.22 H new ATOM 0 HD21 LEU B 33 5.254 -8.988 -9.241 1.00 0.83 H new ATOM 0 HD22 LEU B 33 5.846 -7.729 -10.351 1.00 0.83 H new ATOM 0 HD23 LEU B 33 4.852 -7.280 -8.945 1.00 0.83 H new ATOM 1387 N ARG B 34 4.043 -6.247 -14.214 1.00 0.47 N ATOM 1388 CA ARG B 34 4.176 -6.722 -15.583 1.00 0.59 C ATOM 1389 C ARG B 34 5.246 -5.933 -16.337 1.00 0.58 C ATOM 1390 O ARG B 34 5.543 -6.219 -17.494 1.00 0.69 O ATOM 1391 CB ARG B 34 2.829 -6.640 -16.306 1.00 0.70 C ATOM 1392 CG ARG B 34 1.710 -7.383 -15.587 1.00 1.41 C ATOM 1393 CD ARG B 34 2.046 -8.855 -15.386 1.00 1.46 C ATOM 1394 NE ARG B 34 1.082 -9.529 -14.514 1.00 2.18 N ATOM 1395 CZ ARG B 34 1.338 -10.660 -13.851 1.00 2.53 C ATOM 1396 NH1 ARG B 34 2.509 -11.272 -13.997 1.00 2.19 N ATOM 1397 NH2 ARG B 34 0.422 -11.177 -13.041 1.00 3.50 N ATOM 0 H ARG B 34 3.266 -5.604 -14.065 1.00 0.47 H new ATOM 0 HA ARG B 34 4.492 -7.765 -15.554 1.00 0.59 H new ATOM 0 HB2 ARG B 34 2.547 -5.593 -16.416 1.00 0.70 H new ATOM 0 HB3 ARG B 34 2.939 -7.048 -17.311 1.00 0.70 H new ATOM 0 HG2 ARG B 34 1.527 -6.916 -14.619 1.00 1.41 H new ATOM 0 HG3 ARG B 34 0.788 -7.296 -16.162 1.00 1.41 H new ATOM 0 HD2 ARG B 34 2.070 -9.356 -16.354 1.00 1.46 H new ATOM 0 HD3 ARG B 34 3.044 -8.943 -14.957 1.00 1.46 H new ATOM 0 HE ARG B 34 0.159 -9.109 -14.406 1.00 2.18 H new ATOM 0 HH11 ARG B 34 3.216 -10.878 -14.617 1.00 2.19 H new ATOM 0 HH12 ARG B 34 2.700 -12.135 -13.489 1.00 2.19 H new ATOM 0 HH21 ARG B 34 -0.478 -10.711 -12.925 1.00 3.50 H new ATOM 0 HH22 ARG B 34 0.618 -12.041 -12.535 1.00 3.50 H new ATOM 1411 N HIS B 35 5.822 -4.936 -15.672 1.00 0.53 N ATOM 1412 CA HIS B 35 6.938 -4.183 -16.239 1.00 0.59 C ATOM 1413 C HIS B 35 8.260 -4.703 -15.694 1.00 0.58 C ATOM 1414 O HIS B 35 9.336 -4.281 -16.125 1.00 0.74 O ATOM 1415 CB HIS B 35 6.817 -2.683 -15.935 1.00 0.59 C ATOM 1416 CG HIS B 35 5.701 -1.995 -16.659 1.00 1.17 C ATOM 1417 ND1 HIS B 35 5.234 -0.746 -16.308 1.00 1.99 N ATOM 1418 CD2 HIS B 35 4.961 -2.384 -17.724 1.00 1.62 C ATOM 1419 CE1 HIS B 35 4.254 -0.401 -17.122 1.00 2.69 C ATOM 1420 NE2 HIS B 35 4.071 -1.376 -17.990 1.00 2.43 N ATOM 0 H HIS B 35 5.536 -4.631 -14.742 1.00 0.53 H new ATOM 0 HA HIS B 35 6.908 -4.320 -17.320 1.00 0.59 H new ATOM 0 HB2 HIS B 35 6.674 -2.552 -14.862 1.00 0.59 H new ATOM 0 HB3 HIS B 35 7.757 -2.195 -16.193 1.00 0.59 H new ATOM 0 HD2 HIS B 35 5.055 -3.315 -18.263 1.00 1.62 H new ATOM 0 HE1 HIS B 35 3.697 0.523 -17.083 1.00 2.69 H new ATOM 0 HE2 HIS B 35 3.379 -1.380 -18.739 1.00 2.43 H new ATOM 1429 N GLY B 36 8.170 -5.628 -14.744 1.00 0.49 N ATOM 1430 CA GLY B 36 9.357 -6.184 -14.127 1.00 0.51 C ATOM 1431 C GLY B 36 10.043 -5.192 -13.209 1.00 0.47 C ATOM 1432 O GLY B 36 11.269 -5.138 -13.153 1.00 0.53 O ATOM 0 H GLY B 36 7.290 -6.003 -14.390 1.00 0.49 H new ATOM 0 HA2 GLY B 36 9.086 -7.074 -13.560 1.00 0.51 H new ATOM 0 HA3 GLY B 36 10.054 -6.500 -14.903 1.00 0.51 H new ATOM 1436 N GLY B 37 9.244 -4.405 -12.494 1.00 0.41 N ATOM 1437 CA GLY B 37 9.785 -3.396 -11.600 1.00 0.40 C ATOM 1438 C GLY B 37 10.705 -3.977 -10.545 1.00 0.39 C ATOM 1439 O GLY B 37 11.853 -3.551 -10.408 1.00 0.53 O ATOM 0 H GLY B 37 8.225 -4.449 -12.518 1.00 0.41 H new ATOM 0 HA2 GLY B 37 10.332 -2.655 -12.184 1.00 0.40 H new ATOM 0 HA3 GLY B 37 8.963 -2.873 -11.111 1.00 0.40 H new ATOM 1443 N LEU B 38 10.203 -4.947 -9.797 1.00 0.36 N ATOM 1444 CA LEU B 38 10.989 -5.589 -8.750 1.00 0.41 C ATOM 1445 C LEU B 38 11.693 -6.833 -9.292 1.00 0.49 C ATOM 1446 O LEU B 38 11.587 -7.143 -10.478 1.00 0.83 O ATOM 1447 CB LEU B 38 10.105 -5.964 -7.550 1.00 0.44 C ATOM 1448 CG LEU B 38 9.502 -4.795 -6.751 1.00 0.44 C ATOM 1449 CD1 LEU B 38 10.585 -3.827 -6.298 1.00 0.51 C ATOM 1450 CD2 LEU B 38 8.438 -4.065 -7.555 1.00 0.47 C ATOM 0 H LEU B 38 9.254 -5.309 -9.894 1.00 0.36 H new ATOM 0 HA LEU B 38 11.743 -4.877 -8.414 1.00 0.41 H new ATOM 0 HB2 LEU B 38 9.288 -6.589 -7.910 1.00 0.44 H new ATOM 0 HB3 LEU B 38 10.696 -6.575 -6.868 1.00 0.44 H new ATOM 0 HG LEU B 38 9.026 -5.216 -5.866 1.00 0.44 H new ATOM 0 HD11 LEU B 38 10.131 -3.011 -5.736 1.00 0.51 H new ATOM 0 HD12 LEU B 38 11.300 -4.351 -5.664 1.00 0.51 H new ATOM 0 HD13 LEU B 38 11.101 -3.424 -7.170 1.00 0.51 H new ATOM 0 HD21 LEU B 38 8.032 -3.245 -6.962 1.00 0.47 H new ATOM 0 HD22 LEU B 38 8.881 -3.668 -8.468 1.00 0.47 H new ATOM 0 HD23 LEU B 38 7.637 -4.758 -7.812 1.00 0.47 H new ATOM 1462 N SER B 39 12.405 -7.543 -8.421 1.00 0.47 N ATOM 1463 CA SER B 39 13.123 -8.753 -8.819 1.00 0.54 C ATOM 1464 C SER B 39 12.151 -9.914 -9.055 1.00 0.48 C ATOM 1465 O SER B 39 10.945 -9.746 -8.902 1.00 0.45 O ATOM 1466 CB SER B 39 14.149 -9.120 -7.746 1.00 0.67 C ATOM 1467 OG SER B 39 14.997 -8.019 -7.463 1.00 1.42 O ATOM 0 H SER B 39 12.501 -7.302 -7.434 1.00 0.47 H new ATOM 0 HA SER B 39 13.643 -8.558 -9.757 1.00 0.54 H new ATOM 0 HB2 SER B 39 13.635 -9.432 -6.837 1.00 0.67 H new ATOM 0 HB3 SER B 39 14.746 -9.968 -8.082 1.00 0.67 H new ATOM 0 HG SER B 39 15.645 -8.274 -6.773 1.00 1.42 H new ATOM 1473 N SER B 40 12.668 -11.083 -9.419 1.00 0.59 N ATOM 1474 CA SER B 40 11.819 -12.222 -9.763 1.00 0.61 C ATOM 1475 C SER B 40 11.012 -12.699 -8.556 1.00 0.53 C ATOM 1476 O SER B 40 9.784 -12.791 -8.620 1.00 0.49 O ATOM 1477 CB SER B 40 12.670 -13.368 -10.321 1.00 0.77 C ATOM 1478 OG SER B 40 11.859 -14.395 -10.870 1.00 1.63 O ATOM 0 H SER B 40 13.669 -11.268 -9.484 1.00 0.59 H new ATOM 0 HA SER B 40 11.115 -11.897 -10.529 1.00 0.61 H new ATOM 0 HB2 SER B 40 13.342 -12.984 -11.088 1.00 0.77 H new ATOM 0 HB3 SER B 40 13.294 -13.780 -9.528 1.00 0.77 H new ATOM 0 HG SER B 40 12.430 -15.111 -11.219 1.00 1.63 H new ATOM 1484 N ASP B 41 11.701 -12.982 -7.453 1.00 0.57 N ATOM 1485 CA ASP B 41 11.041 -13.445 -6.229 1.00 0.58 C ATOM 1486 C ASP B 41 10.047 -12.403 -5.744 1.00 0.53 C ATOM 1487 O ASP B 41 8.926 -12.721 -5.348 1.00 0.55 O ATOM 1488 CB ASP B 41 12.063 -13.710 -5.120 1.00 0.71 C ATOM 1489 CG ASP B 41 13.020 -14.834 -5.447 1.00 1.26 C ATOM 1490 OD1 ASP B 41 14.055 -14.567 -6.088 1.00 2.21 O ATOM 1491 OD2 ASP B 41 12.758 -15.987 -5.046 1.00 1.69 O ATOM 0 H ASP B 41 12.715 -12.900 -7.379 1.00 0.57 H new ATOM 0 HA ASP B 41 10.521 -14.374 -6.463 1.00 0.58 H new ATOM 0 HB2 ASP B 41 12.632 -12.799 -4.935 1.00 0.71 H new ATOM 0 HB3 ASP B 41 11.534 -13.949 -4.197 1.00 0.71 H new ATOM 1496 N ALA B 42 10.476 -11.153 -5.797 1.00 0.51 N ATOM 1497 CA ALA B 42 9.658 -10.033 -5.369 1.00 0.50 C ATOM 1498 C ALA B 42 8.451 -9.853 -6.288 1.00 0.47 C ATOM 1499 O ALA B 42 7.366 -9.476 -5.845 1.00 0.52 O ATOM 1500 CB ALA B 42 10.504 -8.775 -5.342 1.00 0.54 C ATOM 0 H ALA B 42 11.400 -10.887 -6.138 1.00 0.51 H new ATOM 0 HA ALA B 42 9.280 -10.234 -4.367 1.00 0.50 H new ATOM 0 HB1 ALA B 42 9.892 -7.932 -5.021 1.00 0.54 H new ATOM 0 HB2 ALA B 42 11.332 -8.908 -4.646 1.00 0.54 H new ATOM 0 HB3 ALA B 42 10.897 -8.579 -6.340 1.00 0.54 H new ATOM 1506 N GLN B 43 8.659 -10.140 -7.568 1.00 0.44 N ATOM 1507 CA GLN B 43 7.611 -10.054 -8.574 1.00 0.45 C ATOM 1508 C GLN B 43 6.446 -10.966 -8.210 1.00 0.45 C ATOM 1509 O GLN B 43 5.293 -10.536 -8.157 1.00 0.48 O ATOM 1510 CB GLN B 43 8.181 -10.450 -9.939 1.00 0.49 C ATOM 1511 CG GLN B 43 7.212 -10.286 -11.093 1.00 0.82 C ATOM 1512 CD GLN B 43 7.823 -10.645 -12.434 1.00 0.85 C ATOM 1513 OE1 GLN B 43 7.134 -11.123 -13.333 1.00 1.57 O ATOM 1514 NE2 GLN B 43 9.117 -10.404 -12.588 1.00 1.12 N ATOM 0 H GLN B 43 9.562 -10.439 -7.937 1.00 0.44 H new ATOM 0 HA GLN B 43 7.244 -9.029 -8.617 1.00 0.45 H new ATOM 0 HB2 GLN B 43 9.068 -9.849 -10.137 1.00 0.49 H new ATOM 0 HB3 GLN B 43 8.504 -11.490 -9.897 1.00 0.49 H new ATOM 0 HG2 GLN B 43 6.338 -10.913 -10.918 1.00 0.82 H new ATOM 0 HG3 GLN B 43 6.863 -9.254 -11.123 1.00 0.82 H new ATOM 0 HE21 GLN B 43 9.657 -10.007 -11.819 1.00 1.12 H new ATOM 0 HE22 GLN B 43 9.573 -10.616 -13.475 1.00 1.12 H new ATOM 1523 N GLU B 44 6.760 -12.220 -7.929 1.00 0.49 N ATOM 1524 CA GLU B 44 5.745 -13.195 -7.563 1.00 0.54 C ATOM 1525 C GLU B 44 4.995 -12.747 -6.313 1.00 0.51 C ATOM 1526 O GLU B 44 3.800 -13.010 -6.161 1.00 0.50 O ATOM 1527 CB GLU B 44 6.388 -14.556 -7.308 1.00 0.68 C ATOM 1528 CG GLU B 44 7.224 -15.066 -8.465 1.00 1.20 C ATOM 1529 CD GLU B 44 7.818 -16.423 -8.175 1.00 1.65 C ATOM 1530 OE1 GLU B 44 8.903 -16.486 -7.560 1.00 2.20 O ATOM 1531 OE2 GLU B 44 7.186 -17.438 -8.533 1.00 2.36 O ATOM 0 H GLU B 44 7.711 -12.588 -7.947 1.00 0.49 H new ATOM 0 HA GLU B 44 5.039 -13.277 -8.390 1.00 0.54 H new ATOM 0 HB2 GLU B 44 7.016 -14.489 -6.420 1.00 0.68 H new ATOM 0 HB3 GLU B 44 5.605 -15.282 -7.091 1.00 0.68 H new ATOM 0 HG2 GLU B 44 6.606 -15.124 -9.361 1.00 1.20 H new ATOM 0 HG3 GLU B 44 8.025 -14.357 -8.675 1.00 1.20 H new ATOM 1538 N SER B 45 5.704 -12.047 -5.439 1.00 0.54 N ATOM 1539 CA SER B 45 5.160 -11.632 -4.160 1.00 0.59 C ATOM 1540 C SER B 45 4.155 -10.486 -4.322 1.00 0.55 C ATOM 1541 O SER B 45 3.160 -10.432 -3.598 1.00 0.58 O ATOM 1542 CB SER B 45 6.296 -11.234 -3.216 1.00 0.71 C ATOM 1543 OG SER B 45 5.847 -11.154 -1.873 1.00 1.04 O ATOM 0 H SER B 45 6.668 -11.753 -5.598 1.00 0.54 H new ATOM 0 HA SER B 45 4.621 -12.475 -3.728 1.00 0.59 H new ATOM 0 HB2 SER B 45 7.104 -11.962 -3.289 1.00 0.71 H new ATOM 0 HB3 SER B 45 6.706 -10.272 -3.522 1.00 0.71 H new ATOM 0 HG SER B 45 5.939 -10.233 -1.552 1.00 1.04 H new ATOM 1549 N LEU B 46 4.397 -9.574 -5.273 1.00 0.56 N ATOM 1550 CA LEU B 46 3.441 -8.493 -5.538 1.00 0.60 C ATOM 1551 C LEU B 46 2.115 -9.070 -5.988 1.00 0.50 C ATOM 1552 O LEU B 46 1.061 -8.663 -5.514 1.00 0.48 O ATOM 1553 CB LEU B 46 3.935 -7.521 -6.615 1.00 0.74 C ATOM 1554 CG LEU B 46 4.999 -6.507 -6.192 1.00 0.75 C ATOM 1555 CD1 LEU B 46 5.227 -5.480 -7.291 1.00 1.28 C ATOM 1556 CD2 LEU B 46 4.604 -5.803 -4.901 1.00 1.14 C ATOM 0 H LEU B 46 5.230 -9.562 -5.861 1.00 0.56 H new ATOM 0 HA LEU B 46 3.329 -7.942 -4.604 1.00 0.60 H new ATOM 0 HB2 LEU B 46 4.334 -8.106 -7.444 1.00 0.74 H new ATOM 0 HB3 LEU B 46 3.075 -6.972 -6.997 1.00 0.74 H new ATOM 0 HG LEU B 46 5.926 -7.053 -6.018 1.00 0.75 H new ATOM 0 HD11 LEU B 46 5.987 -4.767 -6.971 1.00 1.28 H new ATOM 0 HD12 LEU B 46 5.561 -5.985 -8.197 1.00 1.28 H new ATOM 0 HD13 LEU B 46 4.296 -4.951 -7.493 1.00 1.28 H new ATOM 0 HD21 LEU B 46 5.379 -5.088 -4.625 1.00 1.14 H new ATOM 0 HD22 LEU B 46 3.661 -5.277 -5.047 1.00 1.14 H new ATOM 0 HD23 LEU B 46 4.489 -6.539 -4.106 1.00 1.14 H new ATOM 1568 N GLU B 47 2.191 -10.028 -6.904 1.00 0.49 N ATOM 1569 CA GLU B 47 1.011 -10.684 -7.449 1.00 0.48 C ATOM 1570 C GLU B 47 0.130 -11.231 -6.323 1.00 0.43 C ATOM 1571 O GLU B 47 -1.087 -11.018 -6.307 1.00 0.45 O ATOM 1572 CB GLU B 47 1.456 -11.803 -8.393 1.00 0.55 C ATOM 1573 CG GLU B 47 0.318 -12.534 -9.078 1.00 0.81 C ATOM 1574 CD GLU B 47 0.816 -13.505 -10.125 1.00 1.06 C ATOM 1575 OE1 GLU B 47 1.412 -14.537 -9.750 1.00 1.75 O ATOM 1576 OE2 GLU B 47 0.630 -13.238 -11.330 1.00 1.52 O ATOM 0 H GLU B 47 3.071 -10.371 -7.289 1.00 0.49 H new ATOM 0 HA GLU B 47 0.416 -9.961 -8.007 1.00 0.48 H new ATOM 0 HB2 GLU B 47 2.111 -11.380 -9.155 1.00 0.55 H new ATOM 0 HB3 GLU B 47 2.047 -12.524 -7.829 1.00 0.55 H new ATOM 0 HG2 GLU B 47 -0.267 -13.073 -8.333 1.00 0.81 H new ATOM 0 HG3 GLU B 47 -0.350 -11.809 -9.544 1.00 0.81 H new ATOM 1583 N VAL B 48 0.757 -11.906 -5.368 1.00 0.41 N ATOM 1584 CA VAL B 48 0.045 -12.435 -4.214 1.00 0.42 C ATOM 1585 C VAL B 48 -0.472 -11.294 -3.342 1.00 0.41 C ATOM 1586 O VAL B 48 -1.623 -11.305 -2.905 1.00 0.43 O ATOM 1587 CB VAL B 48 0.947 -13.358 -3.368 1.00 0.45 C ATOM 1588 CG1 VAL B 48 0.172 -13.967 -2.211 1.00 0.49 C ATOM 1589 CG2 VAL B 48 1.551 -14.453 -4.231 1.00 0.48 C ATOM 0 H VAL B 48 1.758 -12.100 -5.371 1.00 0.41 H new ATOM 0 HA VAL B 48 -0.795 -13.021 -4.587 1.00 0.42 H new ATOM 0 HB VAL B 48 1.754 -12.752 -2.957 1.00 0.45 H new ATOM 0 HG11 VAL B 48 0.831 -14.613 -1.631 1.00 0.49 H new ATOM 0 HG12 VAL B 48 -0.211 -13.172 -1.571 1.00 0.49 H new ATOM 0 HG13 VAL B 48 -0.661 -14.553 -2.599 1.00 0.49 H new ATOM 0 HG21 VAL B 48 2.184 -15.093 -3.616 1.00 0.48 H new ATOM 0 HG22 VAL B 48 0.753 -15.049 -4.674 1.00 0.48 H new ATOM 0 HG23 VAL B 48 2.150 -14.003 -5.023 1.00 0.48 H new ATOM 1599 N ALA B 49 0.384 -10.300 -3.117 1.00 0.41 N ATOM 1600 CA ALA B 49 0.043 -9.154 -2.282 1.00 0.43 C ATOM 1601 C ALA B 49 -1.178 -8.413 -2.817 1.00 0.43 C ATOM 1602 O ALA B 49 -2.014 -7.954 -2.042 1.00 0.48 O ATOM 1603 CB ALA B 49 1.225 -8.204 -2.179 1.00 0.44 C ATOM 0 H ALA B 49 1.326 -10.267 -3.506 1.00 0.41 H new ATOM 0 HA ALA B 49 -0.202 -9.531 -1.289 1.00 0.43 H new ATOM 0 HB1 ALA B 49 0.955 -7.354 -1.553 1.00 0.44 H new ATOM 0 HB2 ALA B 49 2.074 -8.726 -1.736 1.00 0.44 H new ATOM 0 HB3 ALA B 49 1.495 -7.850 -3.174 1.00 0.44 H new ATOM 1609 N ILE B 50 -1.272 -8.300 -4.137 1.00 0.40 N ATOM 1610 CA ILE B 50 -2.401 -7.634 -4.776 1.00 0.41 C ATOM 1611 C ILE B 50 -3.718 -8.281 -4.359 1.00 0.38 C ATOM 1612 O ILE B 50 -4.612 -7.611 -3.836 1.00 0.41 O ATOM 1613 CB ILE B 50 -2.274 -7.658 -6.317 1.00 0.43 C ATOM 1614 CG1 ILE B 50 -1.047 -6.860 -6.763 1.00 0.53 C ATOM 1615 CG2 ILE B 50 -3.534 -7.104 -6.970 1.00 0.47 C ATOM 1616 CD1 ILE B 50 -0.779 -6.925 -8.252 1.00 0.62 C ATOM 0 H ILE B 50 -0.576 -8.663 -4.788 1.00 0.40 H new ATOM 0 HA ILE B 50 -2.393 -6.595 -4.446 1.00 0.41 H new ATOM 0 HB ILE B 50 -2.151 -8.693 -6.635 1.00 0.43 H new ATOM 0 HG12 ILE B 50 -1.179 -5.818 -6.473 1.00 0.53 H new ATOM 0 HG13 ILE B 50 -0.172 -7.231 -6.230 1.00 0.53 H new ATOM 0 HG21 ILE B 50 -3.424 -7.130 -8.054 1.00 0.47 H new ATOM 0 HG22 ILE B 50 -4.392 -7.710 -6.678 1.00 0.47 H new ATOM 0 HG23 ILE B 50 -3.690 -6.075 -6.646 1.00 0.47 H new ATOM 0 HD11 ILE B 50 0.106 -6.335 -8.488 1.00 0.62 H new ATOM 0 HD12 ILE B 50 -0.614 -7.961 -8.547 1.00 0.62 H new ATOM 0 HD13 ILE B 50 -1.637 -6.526 -8.794 1.00 0.62 H new ATOM 1628 N GLN B 51 -3.824 -9.589 -4.572 1.00 0.39 N ATOM 1629 CA GLN B 51 -5.025 -10.329 -4.195 1.00 0.43 C ATOM 1630 C GLN B 51 -5.265 -10.274 -2.687 1.00 0.43 C ATOM 1631 O GLN B 51 -6.411 -10.212 -2.235 1.00 0.47 O ATOM 1632 CB GLN B 51 -4.931 -11.782 -4.667 1.00 0.51 C ATOM 1633 CG GLN B 51 -5.571 -12.027 -6.026 1.00 0.78 C ATOM 1634 CD GLN B 51 -4.984 -11.174 -7.137 1.00 1.02 C ATOM 1635 OE1 GLN B 51 -3.803 -10.832 -7.125 1.00 1.84 O ATOM 1636 NE2 GLN B 51 -5.810 -10.823 -8.105 1.00 1.35 N ATOM 0 H GLN B 51 -3.095 -10.158 -5.003 1.00 0.39 H new ATOM 0 HA GLN B 51 -5.874 -9.854 -4.686 1.00 0.43 H new ATOM 0 HB2 GLN B 51 -3.881 -12.073 -4.712 1.00 0.51 H new ATOM 0 HB3 GLN B 51 -5.409 -12.426 -3.929 1.00 0.51 H new ATOM 0 HG2 GLN B 51 -5.457 -13.079 -6.288 1.00 0.78 H new ATOM 0 HG3 GLN B 51 -6.641 -11.831 -5.955 1.00 0.78 H new ATOM 0 HE21 GLN B 51 -6.783 -11.126 -8.080 1.00 1.35 H new ATOM 0 HE22 GLN B 51 -5.475 -10.248 -8.878 1.00 1.35 H new ATOM 1645 N CYS B 52 -4.185 -10.278 -1.915 1.00 0.45 N ATOM 1646 CA CYS B 52 -4.290 -10.201 -0.464 1.00 0.52 C ATOM 1647 C CYS B 52 -4.872 -8.857 -0.030 1.00 0.53 C ATOM 1648 O CYS B 52 -5.812 -8.812 0.760 1.00 0.59 O ATOM 1649 CB CYS B 52 -2.926 -10.423 0.191 1.00 0.59 C ATOM 1650 SG CYS B 52 -2.201 -12.044 -0.145 1.00 0.69 S ATOM 0 H CYS B 52 -3.230 -10.334 -2.268 1.00 0.45 H new ATOM 0 HA CYS B 52 -4.965 -10.991 -0.135 1.00 0.52 H new ATOM 0 HB2 CYS B 52 -2.239 -9.651 -0.155 1.00 0.59 H new ATOM 0 HB3 CYS B 52 -3.028 -10.299 1.269 1.00 0.59 H new ATOM 0 HG CYS B 52 -1.994 -12.171 -1.422 1.00 0.69 H new ATOM 1656 N LEU B 53 -4.324 -7.768 -0.560 1.00 0.49 N ATOM 1657 CA LEU B 53 -4.800 -6.428 -0.224 1.00 0.53 C ATOM 1658 C LEU B 53 -6.242 -6.238 -0.671 1.00 0.50 C ATOM 1659 O LEU B 53 -7.053 -5.658 0.054 1.00 0.57 O ATOM 1660 CB LEU B 53 -3.913 -5.359 -0.868 1.00 0.63 C ATOM 1661 CG LEU B 53 -2.492 -5.263 -0.312 1.00 0.54 C ATOM 1662 CD1 LEU B 53 -1.676 -4.269 -1.124 1.00 0.76 C ATOM 1663 CD2 LEU B 53 -2.517 -4.854 1.155 1.00 0.61 C ATOM 0 H LEU B 53 -3.550 -7.786 -1.224 1.00 0.49 H new ATOM 0 HA LEU B 53 -4.751 -6.320 0.860 1.00 0.53 H new ATOM 0 HB2 LEU B 53 -3.853 -5.557 -1.938 1.00 0.63 H new ATOM 0 HB3 LEU B 53 -4.397 -4.390 -0.750 1.00 0.63 H new ATOM 0 HG LEU B 53 -2.024 -6.245 -0.387 1.00 0.54 H new ATOM 0 HD11 LEU B 53 -0.666 -4.210 -0.718 1.00 0.76 H new ATOM 0 HD12 LEU B 53 -1.631 -4.597 -2.162 1.00 0.76 H new ATOM 0 HD13 LEU B 53 -2.145 -3.286 -1.074 1.00 0.76 H new ATOM 0 HD21 LEU B 53 -1.496 -4.791 1.533 1.00 0.61 H new ATOM 0 HD22 LEU B 53 -3.001 -3.882 1.254 1.00 0.61 H new ATOM 0 HD23 LEU B 53 -3.072 -5.596 1.730 1.00 0.61 H new ATOM 1675 N GLU B 54 -6.554 -6.739 -1.860 1.00 0.46 N ATOM 1676 CA GLU B 54 -7.904 -6.657 -2.404 1.00 0.50 C ATOM 1677 C GLU B 54 -8.908 -7.289 -1.446 1.00 0.56 C ATOM 1678 O GLU B 54 -9.894 -6.660 -1.054 1.00 0.65 O ATOM 1679 CB GLU B 54 -7.961 -7.360 -3.762 1.00 0.55 C ATOM 1680 CG GLU B 54 -9.331 -7.315 -4.412 1.00 0.73 C ATOM 1681 CD GLU B 54 -9.371 -8.029 -5.745 1.00 1.06 C ATOM 1682 OE1 GLU B 54 -9.534 -9.267 -5.754 1.00 1.62 O ATOM 1683 OE2 GLU B 54 -9.251 -7.358 -6.791 1.00 1.66 O ATOM 0 H GLU B 54 -5.885 -7.210 -2.470 1.00 0.46 H new ATOM 0 HA GLU B 54 -8.164 -5.606 -2.533 1.00 0.50 H new ATOM 0 HB2 GLU B 54 -7.235 -6.898 -4.431 1.00 0.55 H new ATOM 0 HB3 GLU B 54 -7.662 -8.401 -3.636 1.00 0.55 H new ATOM 0 HG2 GLU B 54 -10.062 -7.767 -3.741 1.00 0.73 H new ATOM 0 HG3 GLU B 54 -9.627 -6.276 -4.553 1.00 0.73 H new ATOM 1690 N THR B 55 -8.632 -8.524 -1.056 1.00 0.61 N ATOM 1691 CA THR B 55 -9.505 -9.268 -0.159 1.00 0.77 C ATOM 1692 C THR B 55 -9.506 -8.659 1.246 1.00 0.83 C ATOM 1693 O THR B 55 -10.519 -8.686 1.947 1.00 0.98 O ATOM 1694 CB THR B 55 -9.058 -10.740 -0.082 1.00 0.95 C ATOM 1695 OG1 THR B 55 -8.879 -11.259 -1.408 1.00 0.99 O ATOM 1696 CG2 THR B 55 -10.078 -11.588 0.666 1.00 1.15 C ATOM 0 H THR B 55 -7.801 -9.037 -1.350 1.00 0.61 H new ATOM 0 HA THR B 55 -10.517 -9.214 -0.559 1.00 0.77 H new ATOM 0 HB THR B 55 -8.115 -10.782 0.463 1.00 0.95 H new ATOM 0 HG1 THR B 55 -8.015 -10.961 -1.762 1.00 0.99 H new ATOM 0 HG21 THR B 55 -9.734 -12.622 0.704 1.00 1.15 H new ATOM 0 HG22 THR B 55 -10.194 -11.207 1.681 1.00 1.15 H new ATOM 0 HG23 THR B 55 -11.037 -11.543 0.150 1.00 1.15 H new ATOM 1704 N ALA B 56 -8.374 -8.091 1.638 1.00 0.76 N ATOM 1705 CA ALA B 56 -8.204 -7.557 2.982 1.00 0.87 C ATOM 1706 C ALA B 56 -8.962 -6.252 3.184 1.00 0.88 C ATOM 1707 O ALA B 56 -9.588 -6.044 4.217 1.00 1.14 O ATOM 1708 CB ALA B 56 -6.732 -7.354 3.278 1.00 0.89 C ATOM 0 H ALA B 56 -7.554 -7.988 1.040 1.00 0.76 H new ATOM 0 HA ALA B 56 -8.621 -8.286 3.677 1.00 0.87 H new ATOM 0 HB1 ALA B 56 -6.615 -6.954 4.285 1.00 0.89 H new ATOM 0 HB2 ALA B 56 -6.211 -8.308 3.204 1.00 0.89 H new ATOM 0 HB3 ALA B 56 -6.309 -6.653 2.558 1.00 0.89 H new ATOM 1714 N PHE B 57 -8.893 -5.363 2.210 1.00 0.76 N ATOM 1715 CA PHE B 57 -9.599 -4.102 2.304 1.00 1.05 C ATOM 1716 C PHE B 57 -11.054 -4.265 1.882 1.00 1.57 C ATOM 1717 O PHE B 57 -11.912 -3.455 2.233 1.00 2.06 O ATOM 1718 CB PHE B 57 -8.914 -3.047 1.442 1.00 1.04 C ATOM 1719 CG PHE B 57 -7.652 -2.486 2.040 1.00 0.92 C ATOM 1720 CD1 PHE B 57 -6.470 -3.210 2.021 1.00 1.49 C ATOM 1721 CD2 PHE B 57 -7.646 -1.220 2.603 1.00 1.47 C ATOM 1722 CE1 PHE B 57 -5.309 -2.684 2.554 1.00 1.50 C ATOM 1723 CE2 PHE B 57 -6.486 -0.688 3.133 1.00 1.47 C ATOM 1724 CZ PHE B 57 -5.316 -1.420 3.109 1.00 0.92 C ATOM 0 H PHE B 57 -8.358 -5.491 1.351 1.00 0.76 H new ATOM 0 HA PHE B 57 -9.578 -3.774 3.343 1.00 1.05 H new ATOM 0 HB2 PHE B 57 -8.680 -3.483 0.471 1.00 1.04 H new ATOM 0 HB3 PHE B 57 -9.613 -2.230 1.264 1.00 1.04 H new ATOM 0 HD1 PHE B 57 -6.457 -4.198 1.584 1.00 1.49 H new ATOM 0 HD2 PHE B 57 -8.558 -0.642 2.628 1.00 1.47 H new ATOM 0 HE1 PHE B 57 -4.396 -3.261 2.536 1.00 1.50 H new ATOM 0 HE2 PHE B 57 -6.495 0.301 3.566 1.00 1.47 H new ATOM 0 HZ PHE B 57 -4.409 -1.005 3.523 1.00 0.92 H new ATOM 1734 N GLY B 58 -11.320 -5.331 1.137 1.00 1.71 N ATOM 1735 CA GLY B 58 -12.665 -5.601 0.676 1.00 2.29 C ATOM 1736 C GLY B 58 -13.036 -4.739 -0.508 1.00 2.05 C ATOM 1737 O GLY B 58 -14.196 -4.361 -0.675 1.00 2.60 O ATOM 0 H GLY B 58 -10.623 -6.015 0.844 1.00 1.71 H new ATOM 0 HA2 GLY B 58 -12.751 -6.652 0.401 1.00 2.29 H new ATOM 0 HA3 GLY B 58 -13.370 -5.425 1.489 1.00 2.29 H new ATOM 1741 N VAL B 59 -12.050 -4.434 -1.335 1.00 1.35 N ATOM 1742 CA VAL B 59 -12.247 -3.539 -2.464 1.00 1.13 C ATOM 1743 C VAL B 59 -12.201 -4.296 -3.782 1.00 1.04 C ATOM 1744 O VAL B 59 -11.664 -5.399 -3.855 1.00 1.22 O ATOM 1745 CB VAL B 59 -11.197 -2.410 -2.482 1.00 0.93 C ATOM 1746 CG1 VAL B 59 -11.386 -1.503 -1.284 1.00 1.23 C ATOM 1747 CG2 VAL B 59 -9.782 -2.967 -2.496 1.00 1.00 C ATOM 0 H VAL B 59 -11.100 -4.795 -1.245 1.00 1.35 H new ATOM 0 HA VAL B 59 -13.235 -3.094 -2.345 1.00 1.13 H new ATOM 0 HB VAL B 59 -11.341 -1.834 -3.396 1.00 0.93 H new ATOM 0 HG11 VAL B 59 -10.639 -0.709 -1.307 1.00 1.23 H new ATOM 0 HG12 VAL B 59 -12.383 -1.064 -1.314 1.00 1.23 H new ATOM 0 HG13 VAL B 59 -11.272 -2.082 -0.368 1.00 1.23 H new ATOM 0 HG21 VAL B 59 -9.067 -2.144 -2.509 1.00 1.00 H new ATOM 0 HG22 VAL B 59 -9.621 -3.574 -1.605 1.00 1.00 H new ATOM 0 HG23 VAL B 59 -9.642 -3.583 -3.385 1.00 1.00 H new ATOM 1757 N THR B 60 -12.795 -3.707 -4.806 1.00 1.17 N ATOM 1758 CA THR B 60 -12.794 -4.281 -6.142 1.00 1.30 C ATOM 1759 C THR B 60 -12.633 -3.181 -7.183 1.00 1.16 C ATOM 1760 O THR B 60 -12.372 -2.031 -6.830 1.00 1.14 O ATOM 1761 CB THR B 60 -14.090 -5.069 -6.427 1.00 1.94 C ATOM 1762 OG1 THR B 60 -15.228 -4.293 -6.038 1.00 2.24 O ATOM 1763 CG2 THR B 60 -14.100 -6.403 -5.697 1.00 2.38 C ATOM 0 H THR B 60 -13.291 -2.819 -4.735 1.00 1.17 H new ATOM 0 HA THR B 60 -11.955 -4.974 -6.200 1.00 1.30 H new ATOM 0 HB THR B 60 -14.134 -5.270 -7.497 1.00 1.94 H new ATOM 0 HG1 THR B 60 -16.047 -4.798 -6.223 1.00 2.24 H new ATOM 0 HG21 THR B 60 -15.026 -6.932 -5.919 1.00 2.38 H new ATOM 0 HG22 THR B 60 -13.251 -7.003 -6.025 1.00 2.38 H new ATOM 0 HG23 THR B 60 -14.029 -6.231 -4.623 1.00 2.38 H new ATOM 1771 N VAL B 61 -12.794 -3.520 -8.454 1.00 1.40 N ATOM 1772 CA VAL B 61 -12.718 -2.531 -9.525 1.00 1.59 C ATOM 1773 C VAL B 61 -13.828 -1.476 -9.381 1.00 1.83 C ATOM 1774 O VAL B 61 -13.767 -0.399 -9.975 1.00 2.11 O ATOM 1775 CB VAL B 61 -12.801 -3.216 -10.908 1.00 1.80 C ATOM 1776 CG1 VAL B 61 -14.140 -3.915 -11.082 1.00 2.21 C ATOM 1777 CG2 VAL B 61 -12.555 -2.219 -12.033 1.00 1.95 C ATOM 0 H VAL B 61 -12.978 -4.472 -8.771 1.00 1.40 H new ATOM 0 HA VAL B 61 -11.756 -2.025 -9.446 1.00 1.59 H new ATOM 0 HB VAL B 61 -12.015 -3.970 -10.957 1.00 1.80 H new ATOM 0 HG11 VAL B 61 -14.178 -4.391 -12.062 1.00 2.21 H new ATOM 0 HG12 VAL B 61 -14.259 -4.672 -10.307 1.00 2.21 H new ATOM 0 HG13 VAL B 61 -14.945 -3.184 -11.002 1.00 2.21 H new ATOM 0 HG21 VAL B 61 -12.620 -2.731 -12.993 1.00 1.95 H new ATOM 0 HG22 VAL B 61 -13.306 -1.430 -11.991 1.00 1.95 H new ATOM 0 HG23 VAL B 61 -11.563 -1.782 -11.921 1.00 1.95 H new ATOM 1787 N GLU B 62 -14.826 -1.772 -8.559 1.00 1.89 N ATOM 1788 CA GLU B 62 -15.881 -0.809 -8.273 1.00 2.15 C ATOM 1789 C GLU B 62 -15.302 0.421 -7.575 1.00 1.63 C ATOM 1790 O GLU B 62 -15.861 1.518 -7.646 1.00 1.65 O ATOM 1791 CB GLU B 62 -16.969 -1.455 -7.416 1.00 2.86 C ATOM 1792 CG GLU B 62 -17.651 -2.632 -8.095 1.00 3.13 C ATOM 1793 CD GLU B 62 -18.334 -2.241 -9.391 1.00 3.56 C ATOM 1794 OE1 GLU B 62 -19.514 -1.841 -9.345 1.00 4.00 O ATOM 1795 OE2 GLU B 62 -17.695 -2.329 -10.461 1.00 3.97 O ATOM 0 H GLU B 62 -14.927 -2.667 -8.080 1.00 1.89 H new ATOM 0 HA GLU B 62 -16.329 -0.489 -9.214 1.00 2.15 H new ATOM 0 HB2 GLU B 62 -16.530 -1.791 -6.477 1.00 2.86 H new ATOM 0 HB3 GLU B 62 -17.719 -0.704 -7.167 1.00 2.86 H new ATOM 0 HG2 GLU B 62 -16.913 -3.408 -8.297 1.00 3.13 H new ATOM 0 HG3 GLU B 62 -18.387 -3.062 -7.416 1.00 3.13 H new ATOM 1802 N ASP B 63 -14.155 0.238 -6.927 1.00 1.36 N ATOM 1803 CA ASP B 63 -13.451 1.344 -6.291 1.00 1.61 C ATOM 1804 C ASP B 63 -12.845 2.240 -7.368 1.00 1.59 C ATOM 1805 O ASP B 63 -12.616 3.427 -7.159 1.00 1.93 O ATOM 1806 CB ASP B 63 -12.359 0.821 -5.354 1.00 1.89 C ATOM 1807 CG ASP B 63 -11.951 1.840 -4.305 1.00 2.88 C ATOM 1808 OD1 ASP B 63 -11.090 2.691 -4.597 1.00 3.35 O ATOM 1809 OD2 ASP B 63 -12.495 1.781 -3.182 1.00 3.62 O ATOM 0 H ASP B 63 -13.694 -0.667 -6.829 1.00 1.36 H new ATOM 0 HA ASP B 63 -14.157 1.922 -5.695 1.00 1.61 H new ATOM 0 HB2 ASP B 63 -12.713 -0.083 -4.858 1.00 1.89 H new ATOM 0 HB3 ASP B 63 -11.485 0.541 -5.942 1.00 1.89 H new ATOM 1814 N SER B 64 -12.619 1.658 -8.546 1.00 1.56 N ATOM 1815 CA SER B 64 -12.105 2.400 -9.687 1.00 1.82 C ATOM 1816 C SER B 64 -13.186 3.327 -10.227 1.00 1.73 C ATOM 1817 O SER B 64 -12.895 4.360 -10.828 1.00 1.91 O ATOM 1818 CB SER B 64 -11.638 1.444 -10.792 1.00 2.42 C ATOM 1819 OG SER B 64 -10.883 2.126 -11.780 1.00 2.92 O ATOM 0 H SER B 64 -12.786 0.669 -8.731 1.00 1.56 H new ATOM 0 HA SER B 64 -11.250 2.991 -9.359 1.00 1.82 H new ATOM 0 HB2 SER B 64 -11.035 0.648 -10.356 1.00 2.42 H new ATOM 0 HB3 SER B 64 -12.503 0.970 -11.256 1.00 2.42 H new ATOM 0 HG SER B 64 -10.103 2.547 -11.363 1.00 2.92 H new ATOM 1825 N ASP B 65 -14.436 2.946 -10.014 1.00 1.68 N ATOM 1826 CA ASP B 65 -15.558 3.806 -10.371 1.00 2.03 C ATOM 1827 C ASP B 65 -15.538 5.069 -9.521 1.00 1.91 C ATOM 1828 O ASP B 65 -15.759 6.174 -10.020 1.00 2.28 O ATOM 1829 CB ASP B 65 -16.888 3.075 -10.192 1.00 2.26 C ATOM 1830 CG ASP B 65 -18.081 3.985 -10.407 1.00 2.89 C ATOM 1831 OD1 ASP B 65 -18.395 4.297 -11.578 1.00 3.46 O ATOM 1832 OD2 ASP B 65 -18.709 4.393 -9.408 1.00 3.35 O ATOM 0 H ASP B 65 -14.700 2.053 -9.598 1.00 1.68 H new ATOM 0 HA ASP B 65 -15.458 4.078 -11.422 1.00 2.03 H new ATOM 0 HB2 ASP B 65 -16.939 2.242 -10.893 1.00 2.26 H new ATOM 0 HB3 ASP B 65 -16.934 2.651 -9.189 1.00 2.26 H new ATOM 1837 N LEU B 66 -15.239 4.901 -8.239 1.00 1.52 N ATOM 1838 CA LEU B 66 -15.153 6.031 -7.318 1.00 1.62 C ATOM 1839 C LEU B 66 -13.706 6.512 -7.169 1.00 1.45 C ATOM 1840 O LEU B 66 -13.339 7.115 -6.158 1.00 1.72 O ATOM 1841 CB LEU B 66 -15.753 5.647 -5.955 1.00 1.77 C ATOM 1842 CG LEU B 66 -15.166 4.394 -5.294 1.00 1.59 C ATOM 1843 CD1 LEU B 66 -14.034 4.752 -4.343 1.00 1.87 C ATOM 1844 CD2 LEU B 66 -16.247 3.621 -4.562 1.00 1.57 C ATOM 0 H LEU B 66 -15.052 3.994 -7.812 1.00 1.52 H new ATOM 0 HA LEU B 66 -15.731 6.859 -7.730 1.00 1.62 H new ATOM 0 HB2 LEU B 66 -15.625 6.488 -5.273 1.00 1.77 H new ATOM 0 HB3 LEU B 66 -16.826 5.499 -6.081 1.00 1.77 H new ATOM 0 HG LEU B 66 -14.757 3.762 -6.082 1.00 1.59 H new ATOM 0 HD11 LEU B 66 -13.638 3.843 -3.890 1.00 1.87 H new ATOM 0 HD12 LEU B 66 -13.241 5.257 -4.895 1.00 1.87 H new ATOM 0 HD13 LEU B 66 -14.410 5.413 -3.562 1.00 1.87 H new ATOM 0 HD21 LEU B 66 -15.811 2.735 -4.100 1.00 1.57 H new ATOM 0 HD22 LEU B 66 -16.688 4.253 -3.791 1.00 1.57 H new ATOM 0 HD23 LEU B 66 -17.020 3.318 -5.269 1.00 1.57 H new ATOM 1856 N ALA B 67 -12.898 6.259 -8.196 1.00 1.30 N ATOM 1857 CA ALA B 67 -11.485 6.621 -8.182 1.00 1.26 C ATOM 1858 C ALA B 67 -11.289 8.127 -8.064 1.00 1.28 C ATOM 1859 O ALA B 67 -12.184 8.916 -8.374 1.00 1.54 O ATOM 1860 CB ALA B 67 -10.803 6.110 -9.435 1.00 1.48 C ATOM 0 H ALA B 67 -13.202 5.801 -9.055 1.00 1.30 H new ATOM 0 HA ALA B 67 -11.035 6.155 -7.305 1.00 1.26 H new ATOM 0 HB1 ALA B 67 -9.749 6.386 -9.414 1.00 1.48 H new ATOM 0 HB2 ALA B 67 -10.893 5.025 -9.481 1.00 1.48 H new ATOM 0 HB3 ALA B 67 -11.276 6.551 -10.312 1.00 1.48 H new ATOM 1866 N LEU B 68 -10.103 8.516 -7.628 1.00 1.16 N ATOM 1867 CA LEU B 68 -9.781 9.918 -7.423 1.00 1.29 C ATOM 1868 C LEU B 68 -9.281 10.551 -8.716 1.00 1.56 C ATOM 1869 O LEU B 68 -8.844 9.833 -9.616 1.00 1.55 O ATOM 1870 CB LEU B 68 -8.725 10.048 -6.324 1.00 1.25 C ATOM 1871 CG LEU B 68 -9.150 9.513 -4.958 1.00 1.19 C ATOM 1872 CD1 LEU B 68 -8.002 9.603 -3.974 1.00 1.21 C ATOM 1873 CD2 LEU B 68 -10.355 10.279 -4.435 1.00 1.18 C ATOM 0 H LEU B 68 -9.341 7.874 -7.408 1.00 1.16 H new ATOM 0 HA LEU B 68 -10.684 10.445 -7.116 1.00 1.29 H new ATOM 0 HB2 LEU B 68 -7.825 9.521 -6.641 1.00 1.25 H new ATOM 0 HB3 LEU B 68 -8.458 11.100 -6.219 1.00 1.25 H new ATOM 0 HG LEU B 68 -9.429 8.466 -5.072 1.00 1.19 H new ATOM 0 HD11 LEU B 68 -8.322 9.218 -3.006 1.00 1.21 H new ATOM 0 HD12 LEU B 68 -7.162 9.013 -4.340 1.00 1.21 H new ATOM 0 HD13 LEU B 68 -7.695 10.643 -3.867 1.00 1.21 H new ATOM 0 HD21 LEU B 68 -10.643 9.883 -3.461 1.00 1.18 H new ATOM 0 HD22 LEU B 68 -10.101 11.334 -4.337 1.00 1.18 H new ATOM 0 HD23 LEU B 68 -11.186 10.169 -5.131 1.00 1.18 H new ATOM 1885 N PRO B 69 -9.363 11.892 -8.834 1.00 1.93 N ATOM 1886 CA PRO B 69 -8.927 12.623 -10.033 1.00 2.36 C ATOM 1887 C PRO B 69 -7.594 12.126 -10.593 1.00 2.25 C ATOM 1888 O PRO B 69 -7.471 11.844 -11.789 1.00 2.62 O ATOM 1889 CB PRO B 69 -8.787 14.055 -9.522 1.00 2.75 C ATOM 1890 CG PRO B 69 -9.810 14.168 -8.447 1.00 2.57 C ATOM 1891 CD PRO B 69 -9.912 12.805 -7.810 1.00 2.06 C ATOM 0 HA PRO B 69 -9.629 12.501 -10.858 1.00 2.36 H new ATOM 0 HB2 PRO B 69 -7.785 14.243 -9.137 1.00 2.75 H new ATOM 0 HB3 PRO B 69 -8.965 14.779 -10.317 1.00 2.75 H new ATOM 0 HG2 PRO B 69 -9.520 14.919 -7.712 1.00 2.57 H new ATOM 0 HG3 PRO B 69 -10.771 14.478 -8.857 1.00 2.57 H new ATOM 0 HD2 PRO B 69 -9.342 12.754 -6.882 1.00 2.06 H new ATOM 0 HD3 PRO B 69 -10.944 12.555 -7.564 1.00 2.06 H new ATOM 1899 N GLN B 70 -6.606 12.001 -9.722 1.00 1.85 N ATOM 1900 CA GLN B 70 -5.299 11.510 -10.124 1.00 1.82 C ATOM 1901 C GLN B 70 -5.045 10.153 -9.497 1.00 1.41 C ATOM 1902 O GLN B 70 -5.836 9.684 -8.674 1.00 1.29 O ATOM 1903 CB GLN B 70 -4.201 12.490 -9.709 1.00 1.93 C ATOM 1904 CG GLN B 70 -3.935 12.535 -8.213 1.00 1.65 C ATOM 1905 CD GLN B 70 -2.879 13.558 -7.860 1.00 2.18 C ATOM 1906 OE1 GLN B 70 -3.184 14.713 -7.573 1.00 2.66 O ATOM 1907 NE2 GLN B 70 -1.625 13.146 -7.910 1.00 2.76 N ATOM 0 H GLN B 70 -6.685 12.233 -8.732 1.00 1.85 H new ATOM 0 HA GLN B 70 -5.283 11.415 -11.210 1.00 1.82 H new ATOM 0 HB2 GLN B 70 -3.278 12.222 -10.222 1.00 1.93 H new ATOM 0 HB3 GLN B 70 -4.475 13.489 -10.048 1.00 1.93 H new ATOM 0 HG2 GLN B 70 -4.860 12.771 -7.687 1.00 1.65 H new ATOM 0 HG3 GLN B 70 -3.616 11.551 -7.871 1.00 1.65 H new ATOM 0 HE21 GLN B 70 -1.416 12.178 -8.153 1.00 2.76 H new ATOM 0 HE22 GLN B 70 -0.866 13.796 -7.706 1.00 2.76 H new ATOM 1916 N THR B 71 -3.957 9.519 -9.886 1.00 1.34 N ATOM 1917 CA THR B 71 -3.592 8.252 -9.301 1.00 1.13 C ATOM 1918 C THR B 71 -2.879 8.481 -7.976 1.00 0.85 C ATOM 1919 O THR B 71 -2.128 9.447 -7.810 1.00 0.83 O ATOM 1920 CB THR B 71 -2.691 7.437 -10.252 1.00 1.22 C ATOM 1921 OG1 THR B 71 -1.581 8.234 -10.688 1.00 1.53 O ATOM 1922 CG2 THR B 71 -3.479 6.953 -11.462 1.00 1.55 C ATOM 0 H THR B 71 -3.315 9.861 -10.601 1.00 1.34 H new ATOM 0 HA THR B 71 -4.504 7.681 -9.128 1.00 1.13 H new ATOM 0 HB THR B 71 -2.320 6.570 -9.706 1.00 1.22 H new ATOM 0 HG1 THR B 71 -1.015 7.706 -11.289 1.00 1.53 H new ATOM 0 HG21 THR B 71 -2.823 6.381 -12.118 1.00 1.55 H new ATOM 0 HG22 THR B 71 -4.302 6.320 -11.131 1.00 1.55 H new ATOM 0 HG23 THR B 71 -3.876 7.811 -12.004 1.00 1.55 H new ATOM 1930 N LEU B 72 -3.112 7.579 -7.038 1.00 0.80 N ATOM 1931 CA LEU B 72 -2.511 7.674 -5.716 1.00 0.66 C ATOM 1932 C LEU B 72 -1.011 7.396 -5.758 1.00 0.66 C ATOM 1933 O LEU B 72 -0.255 8.093 -5.094 1.00 0.67 O ATOM 1934 CB LEU B 72 -3.211 6.748 -4.718 1.00 0.78 C ATOM 1935 CG LEU B 72 -4.595 7.214 -4.248 1.00 0.97 C ATOM 1936 CD1 LEU B 72 -4.517 8.647 -3.762 1.00 1.47 C ATOM 1937 CD2 LEU B 72 -5.630 7.089 -5.358 1.00 1.79 C ATOM 0 H LEU B 72 -3.716 6.768 -7.167 1.00 0.80 H new ATOM 0 HA LEU B 72 -2.647 8.700 -5.374 1.00 0.66 H new ATOM 0 HB2 LEU B 72 -3.313 5.762 -5.172 1.00 0.78 H new ATOM 0 HB3 LEU B 72 -2.569 6.631 -3.845 1.00 0.78 H new ATOM 0 HG LEU B 72 -4.910 6.570 -3.427 1.00 0.97 H new ATOM 0 HD11 LEU B 72 -5.503 8.973 -3.430 1.00 1.47 H new ATOM 0 HD12 LEU B 72 -3.814 8.712 -2.931 1.00 1.47 H new ATOM 0 HD13 LEU B 72 -4.178 9.289 -4.575 1.00 1.47 H new ATOM 0 HD21 LEU B 72 -6.599 7.427 -4.992 1.00 1.79 H new ATOM 0 HD22 LEU B 72 -5.329 7.702 -6.207 1.00 1.79 H new ATOM 0 HD23 LEU B 72 -5.704 6.048 -5.671 1.00 1.79 H new ATOM 1949 N PRO B 73 -0.550 6.368 -6.513 1.00 0.75 N ATOM 1950 CA PRO B 73 0.877 6.157 -6.767 1.00 0.84 C ATOM 1951 C PRO B 73 1.619 7.456 -7.079 1.00 0.80 C ATOM 1952 O PRO B 73 2.720 7.683 -6.584 1.00 0.82 O ATOM 1953 CB PRO B 73 0.874 5.245 -7.990 1.00 1.03 C ATOM 1954 CG PRO B 73 -0.381 4.451 -7.874 1.00 1.06 C ATOM 1955 CD PRO B 73 -1.365 5.294 -7.112 1.00 0.84 C ATOM 0 HA PRO B 73 1.389 5.743 -5.898 1.00 0.84 H new ATOM 0 HB2 PRO B 73 0.892 5.823 -8.914 1.00 1.03 H new ATOM 0 HB3 PRO B 73 1.751 4.598 -8.002 1.00 1.03 H new ATOM 0 HG2 PRO B 73 -0.771 4.200 -8.860 1.00 1.06 H new ATOM 0 HG3 PRO B 73 -0.196 3.510 -7.355 1.00 1.06 H new ATOM 0 HD2 PRO B 73 -2.133 5.700 -7.771 1.00 0.84 H new ATOM 0 HD3 PRO B 73 -1.877 4.711 -6.346 1.00 0.84 H new ATOM 1963 N GLU B 74 0.995 8.311 -7.885 1.00 0.78 N ATOM 1964 CA GLU B 74 1.583 9.592 -8.250 1.00 0.78 C ATOM 1965 C GLU B 74 1.730 10.489 -7.019 1.00 0.64 C ATOM 1966 O GLU B 74 2.770 11.122 -6.822 1.00 0.64 O ATOM 1967 CB GLU B 74 0.726 10.277 -9.317 1.00 0.86 C ATOM 1968 CG GLU B 74 1.264 11.623 -9.762 1.00 1.21 C ATOM 1969 CD GLU B 74 0.502 12.195 -10.936 1.00 1.47 C ATOM 1970 OE1 GLU B 74 -0.632 12.678 -10.741 1.00 2.27 O ATOM 1971 OE2 GLU B 74 1.047 12.181 -12.060 1.00 1.67 O ATOM 0 H GLU B 74 0.079 8.137 -8.298 1.00 0.78 H new ATOM 0 HA GLU B 74 2.577 9.416 -8.660 1.00 0.78 H new ATOM 0 HB2 GLU B 74 0.650 9.622 -10.185 1.00 0.86 H new ATOM 0 HB3 GLU B 74 -0.284 10.410 -8.929 1.00 0.86 H new ATOM 0 HG2 GLU B 74 1.217 12.323 -8.928 1.00 1.21 H new ATOM 0 HG3 GLU B 74 2.315 11.519 -10.032 1.00 1.21 H new ATOM 1978 N ILE B 75 0.691 10.522 -6.188 1.00 0.58 N ATOM 1979 CA ILE B 75 0.731 11.277 -4.940 1.00 0.53 C ATOM 1980 C ILE B 75 1.799 10.703 -4.017 1.00 0.49 C ATOM 1981 O ILE B 75 2.481 11.435 -3.297 1.00 0.53 O ATOM 1982 CB ILE B 75 -0.629 11.254 -4.199 1.00 0.60 C ATOM 1983 CG1 ILE B 75 -1.740 11.791 -5.100 1.00 0.74 C ATOM 1984 CG2 ILE B 75 -0.552 12.061 -2.908 1.00 0.68 C ATOM 1985 CD1 ILE B 75 -3.093 11.874 -4.423 1.00 1.37 C ATOM 0 H ILE B 75 -0.189 10.034 -6.357 1.00 0.58 H new ATOM 0 HA ILE B 75 0.963 12.310 -5.200 1.00 0.53 H new ATOM 0 HB ILE B 75 -0.861 10.220 -3.944 1.00 0.60 H new ATOM 0 HG12 ILE B 75 -1.460 12.783 -5.453 1.00 0.74 H new ATOM 0 HG13 ILE B 75 -1.823 11.151 -5.979 1.00 0.74 H new ATOM 0 HG21 ILE B 75 -1.517 12.032 -2.403 1.00 0.68 H new ATOM 0 HG22 ILE B 75 0.211 11.634 -2.257 1.00 0.68 H new ATOM 0 HG23 ILE B 75 -0.295 13.094 -3.140 1.00 0.68 H new ATOM 0 HD11 ILE B 75 -3.829 12.264 -5.127 1.00 1.37 H new ATOM 0 HD12 ILE B 75 -3.397 10.880 -4.094 1.00 1.37 H new ATOM 0 HD13 ILE B 75 -3.028 12.538 -3.561 1.00 1.37 H new ATOM 1997 N PHE B 76 1.948 9.386 -4.061 1.00 0.50 N ATOM 1998 CA PHE B 76 2.898 8.694 -3.203 1.00 0.56 C ATOM 1999 C PHE B 76 4.335 9.061 -3.570 1.00 0.59 C ATOM 2000 O PHE B 76 5.232 9.015 -2.729 1.00 0.72 O ATOM 2001 CB PHE B 76 2.710 7.172 -3.285 1.00 0.65 C ATOM 2002 CG PHE B 76 1.346 6.683 -2.870 1.00 2.06 C ATOM 2003 CD1 PHE B 76 0.518 7.455 -2.067 1.00 2.34 C ATOM 2004 CD2 PHE B 76 0.896 5.440 -3.284 1.00 2.12 C ATOM 2005 CE1 PHE B 76 -0.728 6.996 -1.691 1.00 2.35 C ATOM 2006 CE2 PHE B 76 -0.350 4.976 -2.911 1.00 2.24 C ATOM 2007 CZ PHE B 76 -1.162 5.755 -2.112 1.00 2.37 C ATOM 0 H PHE B 76 1.421 8.774 -4.684 1.00 0.50 H new ATOM 0 HA PHE B 76 2.706 9.013 -2.179 1.00 0.56 H new ATOM 0 HB2 PHE B 76 2.900 6.851 -4.309 1.00 0.65 H new ATOM 0 HB3 PHE B 76 3.460 6.692 -2.656 1.00 0.65 H new ATOM 0 HD1 PHE B 76 0.853 8.426 -1.733 1.00 2.34 H new ATOM 0 HD2 PHE B 76 1.528 4.825 -3.907 1.00 2.12 H new ATOM 0 HE1 PHE B 76 -1.363 7.608 -1.068 1.00 2.35 H new ATOM 0 HE2 PHE B 76 -0.688 4.006 -3.244 1.00 2.24 H new ATOM 0 HZ PHE B 76 -2.136 5.394 -1.816 1.00 2.37 H new ATOM 2017 N GLU B 77 4.551 9.418 -4.826 1.00 0.62 N ATOM 2018 CA GLU B 77 5.874 9.822 -5.277 1.00 0.73 C ATOM 2019 C GLU B 77 6.128 11.293 -4.962 1.00 0.69 C ATOM 2020 O GLU B 77 7.267 11.708 -4.754 1.00 0.79 O ATOM 2021 CB GLU B 77 6.030 9.556 -6.776 1.00 0.89 C ATOM 2022 CG GLU B 77 5.790 8.103 -7.150 1.00 1.56 C ATOM 2023 CD GLU B 77 6.032 7.816 -8.618 1.00 1.93 C ATOM 2024 OE1 GLU B 77 5.255 8.299 -9.462 1.00 2.51 O ATOM 2025 OE2 GLU B 77 6.998 7.089 -8.932 1.00 2.40 O ATOM 0 H GLU B 77 3.831 9.436 -5.549 1.00 0.62 H new ATOM 0 HA GLU B 77 6.615 9.229 -4.741 1.00 0.73 H new ATOM 0 HB2 GLU B 77 5.332 10.187 -7.326 1.00 0.89 H new ATOM 0 HB3 GLU B 77 7.034 9.845 -7.088 1.00 0.89 H new ATOM 0 HG2 GLU B 77 6.442 7.468 -6.550 1.00 1.56 H new ATOM 0 HG3 GLU B 77 4.764 7.835 -6.898 1.00 1.56 H new ATOM 2032 N ALA B 78 5.059 12.081 -4.929 1.00 0.60 N ATOM 2033 CA ALA B 78 5.169 13.514 -4.688 1.00 0.61 C ATOM 2034 C ALA B 78 5.138 13.854 -3.200 1.00 0.60 C ATOM 2035 O ALA B 78 6.101 14.391 -2.656 1.00 0.64 O ATOM 2036 CB ALA B 78 4.067 14.258 -5.425 1.00 0.64 C ATOM 0 H ALA B 78 4.104 11.750 -5.067 1.00 0.60 H new ATOM 0 HA ALA B 78 6.138 13.834 -5.071 1.00 0.61 H new ATOM 0 HB1 ALA B 78 4.161 15.327 -5.236 1.00 0.64 H new ATOM 0 HB2 ALA B 78 4.153 14.069 -6.495 1.00 0.64 H new ATOM 0 HB3 ALA B 78 3.095 13.911 -5.073 1.00 0.64 H new ATOM 2042 N ALA B 79 4.030 13.541 -2.545 1.00 0.64 N ATOM 2043 CA ALA B 79 3.836 13.914 -1.147 1.00 0.75 C ATOM 2044 C ALA B 79 4.416 12.866 -0.207 1.00 0.86 C ATOM 2045 O ALA B 79 5.118 13.193 0.747 1.00 0.99 O ATOM 2046 CB ALA B 79 2.356 14.113 -0.859 1.00 0.83 C ATOM 0 H ALA B 79 3.250 13.029 -2.957 1.00 0.64 H new ATOM 0 HA ALA B 79 4.365 14.851 -0.973 1.00 0.75 H new ATOM 0 HB1 ALA B 79 2.223 14.391 0.187 1.00 0.83 H new ATOM 0 HB2 ALA B 79 1.964 14.905 -1.498 1.00 0.83 H new ATOM 0 HB3 ALA B 79 1.819 13.186 -1.059 1.00 0.83 H new ATOM 2052 N ALA B 80 4.140 11.605 -0.502 1.00 0.90 N ATOM 2053 CA ALA B 80 4.550 10.499 0.356 1.00 1.11 C ATOM 2054 C ALA B 80 6.059 10.286 0.339 1.00 1.26 C ATOM 2055 O ALA B 80 6.580 9.464 1.084 1.00 1.55 O ATOM 2056 CB ALA B 80 3.823 9.218 -0.009 1.00 1.25 C ATOM 0 H ALA B 80 3.629 11.318 -1.337 1.00 0.90 H new ATOM 0 HA ALA B 80 4.271 10.772 1.374 1.00 1.11 H new ATOM 0 HB1 ALA B 80 4.151 8.413 0.649 1.00 1.25 H new ATOM 0 HB2 ALA B 80 2.749 9.364 0.104 1.00 1.25 H new ATOM 0 HB3 ALA B 80 4.046 8.955 -1.043 1.00 1.25 H new ATOM 2062 N THR B 81 6.757 10.965 -0.561 1.00 1.23 N ATOM 2063 CA THR B 81 8.204 10.856 -0.608 1.00 1.46 C ATOM 2064 C THR B 81 8.841 11.602 0.569 1.00 1.63 C ATOM 2065 O THR B 81 10.023 11.416 0.871 1.00 1.88 O ATOM 2066 CB THR B 81 8.787 11.374 -1.941 1.00 1.59 C ATOM 2067 OG1 THR B 81 10.138 10.917 -2.096 1.00 2.33 O ATOM 2068 CG2 THR B 81 8.757 12.893 -2.002 1.00 1.64 C ATOM 0 H THR B 81 6.350 11.588 -1.258 1.00 1.23 H new ATOM 0 HA THR B 81 8.444 9.795 -0.534 1.00 1.46 H new ATOM 0 HB THR B 81 8.170 10.983 -2.751 1.00 1.59 H new ATOM 0 HG1 THR B 81 10.579 10.897 -1.221 1.00 2.33 H new ATOM 0 HG21 THR B 81 9.174 13.227 -2.952 1.00 1.64 H new ATOM 0 HG22 THR B 81 7.727 13.240 -1.915 1.00 1.64 H new ATOM 0 HG23 THR B 81 9.348 13.302 -1.183 1.00 1.64 H new ATOM 2076 N GLY B 82 8.047 12.431 1.236 1.00 1.68 N ATOM 2077 CA GLY B 82 8.538 13.167 2.378 1.00 2.13 C ATOM 2078 C GLY B 82 7.422 13.843 3.140 1.00 1.99 C ATOM 2079 O GLY B 82 6.880 13.283 4.093 1.00 2.59 O ATOM 0 H GLY B 82 7.069 12.605 1.003 1.00 1.68 H new ATOM 0 HA2 GLY B 82 9.072 12.489 3.044 1.00 2.13 H new ATOM 0 HA3 GLY B 82 9.255 13.917 2.045 1.00 2.13 H new ATOM 2083 N LYS B 83 7.080 15.049 2.714 1.00 1.88 N ATOM 2084 CA LYS B 83 6.015 15.818 3.336 1.00 2.11 C ATOM 2085 C LYS B 83 5.224 16.535 2.256 1.00 2.84 C ATOM 2086 O LYS B 83 4.002 16.323 2.156 1.00 3.19 O ATOM 2087 CB LYS B 83 6.575 16.848 4.323 1.00 2.30 C ATOM 2088 CG LYS B 83 7.519 16.268 5.365 1.00 2.77 C ATOM 2089 CD LYS B 83 8.047 17.341 6.306 1.00 3.43 C ATOM 2090 CE LYS B 83 8.744 18.467 5.553 1.00 3.92 C ATOM 2091 NZ LYS B 83 9.857 17.974 4.697 1.00 4.40 N ATOM 2092 OXT LYS B 83 5.847 17.294 1.483 1.00 3.61 O ATOM 0 H LYS B 83 7.531 15.520 1.930 1.00 1.88 H new ATOM 0 HA LYS B 83 5.372 15.133 3.888 1.00 2.11 H new ATOM 0 HB2 LYS B 83 7.101 17.621 3.763 1.00 2.30 H new ATOM 0 HB3 LYS B 83 5.744 17.334 4.834 1.00 2.30 H new ATOM 0 HG2 LYS B 83 6.999 15.503 5.941 1.00 2.77 H new ATOM 0 HG3 LYS B 83 8.355 15.778 4.866 1.00 2.77 H new ATOM 0 HD2 LYS B 83 7.222 17.751 6.888 1.00 3.43 H new ATOM 0 HD3 LYS B 83 8.744 16.892 7.013 1.00 3.43 H new ATOM 0 HE2 LYS B 83 8.016 18.990 4.932 1.00 3.92 H new ATOM 0 HE3 LYS B 83 9.133 19.192 6.268 1.00 3.92 H new ATOM 0 HZ1 LYS B 83 10.384 18.784 4.313 1.00 4.40 H new ATOM 0 HZ2 LYS B 83 10.496 17.383 5.265 1.00 4.40 H new ATOM 0 HZ3 LYS B 83 9.469 17.410 3.914 1.00 4.40 H new TER 2106 LYS B 83