USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 890 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 109 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 110 SER OG : rot 180:sc= -0.21 USER MOD Set 2.1: A 85 LYS NZ :NH3+ -172:sc= 1.97 (180deg=0.681) USER MOD Set 2.2: A 91 TYR OH : rot 180:sc= 1.02 USER MOD Set 3.1: A 22 THR OG1 : rot 180:sc= -0.551 USER MOD Set 3.2: A 73 ASN : amide:sc=-0.000219 X(o=-0.55,f=-0.75) USER MOD Single : A 21 MET CE :methyl -157:sc= -0.18 (180deg=-0.71) USER MOD Single : A 29 SER OG : rot -108:sc= 0.947 USER MOD Single : A 30 ASN : amide:sc= -0.524 X(o=-0.52,f=-0.18) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -159:sc= -1.14! (180deg=-2.44!) USER MOD Single : A 40 LYS NZ :NH3+ 165:sc= -0.0219 (180deg=-0.239) USER MOD Single : A 41 MET CE :methyl -146:sc= -1.38 (180deg=-3.46!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 43:sc= 0.0417 USER MOD Single : A 59 LYS NZ :NH3+ -162:sc= -0.0548 (180deg=-0.346) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0168) USER MOD Single : A 70 LYS NZ :NH3+ 170:sc= 1.97 (180deg=1.69) USER MOD Single : A 71 LYS NZ :NH3+ 169:sc= -0.019 (180deg=-0.127) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 179:sc= 2.36 (180deg=2.3) USER MOD Single : A 88 SER OG : rot 180:sc= 0.102 USER MOD Single : A 93 LYS NZ :NH3+ -171:sc=-0.00238 (180deg=-0.0905) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 97 LYS NZ :NH3+ 166:sc= -0.0539 (180deg=-0.261) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 128:sc= 1.26 USER MOD Single : A 115 LYS NZ :NH3+ 175:sc= 1.23 (180deg=1.2) USER MOD Single : A 119 LYS NZ :NH3+ -115:sc= -0.394 (180deg=-2.19!) USER MOD Single : A 122 SER OG : rot 60:sc= 0.777 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 -7.657 -13.882 3.751 1.00 0.86 N ATOM 2 CA MET A 21 -7.565 -12.437 3.448 1.00 0.65 C ATOM 3 C MET A 21 -6.469 -12.189 2.423 1.00 0.55 C ATOM 4 O MET A 21 -5.443 -12.871 2.428 1.00 0.75 O ATOM 5 CB MET A 21 -7.268 -11.631 4.721 1.00 0.73 C ATOM 6 CG MET A 21 -5.896 -11.891 5.331 1.00 1.04 C ATOM 7 SD MET A 21 -5.743 -13.536 6.058 1.00 1.93 S ATOM 8 CE MET A 21 -6.950 -13.432 7.379 1.00 2.17 C ATOM 0 HA MET A 21 -8.523 -12.112 3.043 1.00 0.65 H new ATOM 0 HB2 MET A 21 -7.353 -10.569 4.491 1.00 0.73 H new ATOM 0 HB3 MET A 21 -8.031 -11.858 5.465 1.00 0.73 H new ATOM 0 HG2 MET A 21 -5.134 -11.768 4.561 1.00 1.04 H new ATOM 0 HG3 MET A 21 -5.698 -11.142 6.098 1.00 1.04 H new ATOM 0 HE1 MET A 21 -6.708 -14.162 8.151 1.00 2.17 H new ATOM 0 HE2 MET A 21 -6.934 -12.430 7.809 1.00 2.17 H new ATOM 0 HE3 MET A 21 -7.943 -13.640 6.981 1.00 2.17 H new ATOM 17 N THR A 22 -6.689 -11.240 1.523 1.00 0.43 N ATOM 18 CA THR A 22 -5.629 -10.830 0.617 1.00 0.41 C ATOM 19 C THR A 22 -4.961 -9.561 1.131 1.00 0.35 C ATOM 20 O THR A 22 -5.639 -8.595 1.495 1.00 0.38 O ATOM 21 CB THR A 22 -6.146 -10.598 -0.813 1.00 0.52 C ATOM 22 OG1 THR A 22 -6.989 -11.682 -1.200 1.00 0.82 O ATOM 23 CG2 THR A 22 -4.988 -10.497 -1.795 1.00 0.63 C ATOM 0 H THR A 22 -7.575 -10.749 1.403 1.00 0.43 H new ATOM 0 HA THR A 22 -4.903 -11.642 0.581 1.00 0.41 H new ATOM 0 HB THR A 22 -6.707 -9.663 -0.827 1.00 0.52 H new ATOM 0 HG1 THR A 22 -7.318 -11.531 -2.111 1.00 0.82 H new ATOM 0 HG21 THR A 22 -5.377 -10.333 -2.800 1.00 0.63 H new ATOM 0 HG22 THR A 22 -4.344 -9.663 -1.514 1.00 0.63 H new ATOM 0 HG23 THR A 22 -4.412 -11.422 -1.775 1.00 0.63 H new ATOM 31 N LEU A 23 -3.638 -9.576 1.187 1.00 0.32 N ATOM 32 CA LEU A 23 -2.887 -8.426 1.655 1.00 0.29 C ATOM 33 C LEU A 23 -2.232 -7.711 0.481 1.00 0.26 C ATOM 34 O LEU A 23 -1.576 -8.337 -0.356 1.00 0.30 O ATOM 35 CB LEU A 23 -1.823 -8.852 2.666 1.00 0.30 C ATOM 36 CG LEU A 23 -2.343 -9.562 3.917 1.00 0.36 C ATOM 37 CD1 LEU A 23 -1.191 -9.898 4.847 1.00 0.39 C ATOM 38 CD2 LEU A 23 -3.373 -8.704 4.637 1.00 0.39 C ATOM 0 H LEU A 23 -3.064 -10.373 0.913 1.00 0.32 H new ATOM 0 HA LEU A 23 -3.579 -7.742 2.146 1.00 0.29 H new ATOM 0 HB2 LEU A 23 -1.115 -9.511 2.164 1.00 0.30 H new ATOM 0 HB3 LEU A 23 -1.269 -7.967 2.977 1.00 0.30 H new ATOM 0 HG LEU A 23 -2.828 -10.489 3.609 1.00 0.36 H new ATOM 0 HD11 LEU A 23 -1.575 -10.403 5.734 1.00 0.39 H new ATOM 0 HD12 LEU A 23 -0.487 -10.552 4.333 1.00 0.39 H new ATOM 0 HD13 LEU A 23 -0.683 -8.980 5.143 1.00 0.39 H new ATOM 0 HD21 LEU A 23 -3.729 -9.229 5.523 1.00 0.39 H new ATOM 0 HD22 LEU A 23 -2.917 -7.760 4.934 1.00 0.39 H new ATOM 0 HD23 LEU A 23 -4.213 -8.507 3.970 1.00 0.39 H new ATOM 50 N PHE A 24 -2.419 -6.405 0.417 1.00 0.25 N ATOM 51 CA PHE A 24 -1.894 -5.612 -0.682 1.00 0.25 C ATOM 52 C PHE A 24 -0.898 -4.591 -0.185 1.00 0.26 C ATOM 53 O PHE A 24 -0.976 -4.137 0.955 1.00 0.30 O ATOM 54 CB PHE A 24 -3.024 -4.879 -1.404 1.00 0.28 C ATOM 55 CG PHE A 24 -4.072 -5.790 -1.953 1.00 0.34 C ATOM 56 CD1 PHE A 24 -4.073 -6.133 -3.290 1.00 1.24 C ATOM 57 CD2 PHE A 24 -5.048 -6.308 -1.128 1.00 1.25 C ATOM 58 CE1 PHE A 24 -5.031 -6.980 -3.796 1.00 1.25 C ATOM 59 CE2 PHE A 24 -6.008 -7.153 -1.625 1.00 1.30 C ATOM 60 CZ PHE A 24 -6.001 -7.492 -2.964 1.00 0.51 C ATOM 0 H PHE A 24 -2.933 -5.868 1.116 1.00 0.25 H new ATOM 0 HA PHE A 24 -1.399 -6.297 -1.370 1.00 0.25 H new ATOM 0 HB2 PHE A 24 -3.490 -4.177 -0.713 1.00 0.28 H new ATOM 0 HB3 PHE A 24 -2.602 -4.291 -2.219 1.00 0.28 H new ATOM 0 HD1 PHE A 24 -3.314 -5.732 -3.945 1.00 1.24 H new ATOM 0 HD2 PHE A 24 -5.057 -6.046 -0.080 1.00 1.25 H new ATOM 0 HE1 PHE A 24 -5.022 -7.243 -4.843 1.00 1.25 H new ATOM 0 HE2 PHE A 24 -6.768 -7.553 -0.970 1.00 1.30 H new ATOM 0 HZ PHE A 24 -6.755 -8.157 -3.358 1.00 0.51 H new ATOM 70 N VAL A 25 0.029 -4.229 -1.044 1.00 0.29 N ATOM 71 CA VAL A 25 0.925 -3.133 -0.766 1.00 0.31 C ATOM 72 C VAL A 25 1.022 -2.215 -1.974 1.00 0.30 C ATOM 73 O VAL A 25 1.311 -2.643 -3.092 1.00 0.35 O ATOM 74 CB VAL A 25 2.336 -3.596 -0.338 1.00 0.38 C ATOM 75 CG1 VAL A 25 2.910 -4.607 -1.317 1.00 1.08 C ATOM 76 CG2 VAL A 25 3.259 -2.390 -0.198 1.00 0.98 C ATOM 0 H VAL A 25 0.181 -4.682 -1.945 1.00 0.29 H new ATOM 0 HA VAL A 25 0.502 -2.591 0.080 1.00 0.31 H new ATOM 0 HB VAL A 25 2.255 -4.092 0.629 1.00 0.38 H new ATOM 0 HG11 VAL A 25 3.903 -4.911 -0.986 1.00 1.08 H new ATOM 0 HG12 VAL A 25 2.259 -5.480 -1.362 1.00 1.08 H new ATOM 0 HG13 VAL A 25 2.980 -4.156 -2.307 1.00 1.08 H new ATOM 0 HG21 VAL A 25 4.251 -2.725 0.104 1.00 0.98 H new ATOM 0 HG22 VAL A 25 3.326 -1.870 -1.154 1.00 0.98 H new ATOM 0 HG23 VAL A 25 2.860 -1.712 0.556 1.00 0.98 H new ATOM 86 N LEU A 26 0.732 -0.961 -1.732 1.00 0.34 N ATOM 87 CA LEU A 26 0.862 0.071 -2.728 1.00 0.35 C ATOM 88 C LEU A 26 2.083 0.911 -2.413 1.00 0.34 C ATOM 89 O LEU A 26 2.486 1.014 -1.258 1.00 0.36 O ATOM 90 CB LEU A 26 -0.376 0.963 -2.734 1.00 0.40 C ATOM 91 CG LEU A 26 -1.479 0.587 -3.730 1.00 0.44 C ATOM 92 CD1 LEU A 26 -2.043 -0.786 -3.443 1.00 1.18 C ATOM 93 CD2 LEU A 26 -2.594 1.609 -3.689 1.00 1.09 C ATOM 0 H LEU A 26 0.396 -0.626 -0.829 1.00 0.34 H new ATOM 0 HA LEU A 26 0.967 -0.392 -3.709 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -0.805 0.960 -1.732 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -0.060 1.985 -2.943 1.00 0.40 H new ATOM 0 HG LEU A 26 -1.031 0.573 -4.724 1.00 0.44 H new ATOM 0 HD11 LEU A 26 -2.822 -1.018 -4.169 1.00 1.18 H new ATOM 0 HD12 LEU A 26 -1.248 -1.528 -3.514 1.00 1.18 H new ATOM 0 HD13 LEU A 26 -2.466 -0.803 -2.439 1.00 1.18 H new ATOM 0 HD21 LEU A 26 -3.370 1.329 -4.401 1.00 1.09 H new ATOM 0 HD22 LEU A 26 -3.018 1.645 -2.686 1.00 1.09 H new ATOM 0 HD23 LEU A 26 -2.198 2.590 -3.951 1.00 1.09 H new ATOM 105 N ILE A 27 2.667 1.501 -3.431 1.00 0.34 N ATOM 106 CA ILE A 27 3.804 2.379 -3.242 1.00 0.32 C ATOM 107 C ILE A 27 3.680 3.586 -4.160 1.00 0.30 C ATOM 108 O ILE A 27 3.811 3.465 -5.380 1.00 0.36 O ATOM 109 CB ILE A 27 5.139 1.631 -3.504 1.00 0.33 C ATOM 110 CG1 ILE A 27 6.337 2.582 -3.394 1.00 0.33 C ATOM 111 CG2 ILE A 27 5.124 0.947 -4.866 1.00 0.35 C ATOM 112 CD1 ILE A 27 6.582 3.098 -1.992 1.00 0.55 C ATOM 0 H ILE A 27 2.374 1.390 -4.402 1.00 0.34 H new ATOM 0 HA ILE A 27 3.811 2.717 -2.206 1.00 0.32 H new ATOM 0 HB ILE A 27 5.243 0.864 -2.737 1.00 0.33 H new ATOM 0 HG12 ILE A 27 7.232 2.066 -3.742 1.00 0.33 H new ATOM 0 HG13 ILE A 27 6.178 3.430 -4.060 1.00 0.33 H new ATOM 0 HG21 ILE A 27 6.071 0.431 -5.024 1.00 0.35 H new ATOM 0 HG22 ILE A 27 4.307 0.226 -4.902 1.00 0.35 H new ATOM 0 HG23 ILE A 27 4.983 1.694 -5.647 1.00 0.35 H new ATOM 0 HD11 ILE A 27 7.445 3.764 -1.995 1.00 0.55 H new ATOM 0 HD12 ILE A 27 5.704 3.644 -1.646 1.00 0.55 H new ATOM 0 HD13 ILE A 27 6.774 2.259 -1.324 1.00 0.55 H new ATOM 124 N LEU A 28 3.404 4.753 -3.597 1.00 0.30 N ATOM 125 CA LEU A 28 3.324 5.936 -4.424 1.00 0.36 C ATOM 126 C LEU A 28 4.653 6.665 -4.356 1.00 0.38 C ATOM 127 O LEU A 28 4.803 7.689 -3.685 1.00 0.41 O ATOM 128 CB LEU A 28 2.195 6.842 -3.935 1.00 0.46 C ATOM 129 CG LEU A 28 1.510 7.671 -5.019 1.00 0.62 C ATOM 130 CD1 LEU A 28 0.691 6.774 -5.928 1.00 1.24 C ATOM 131 CD2 LEU A 28 0.627 8.733 -4.397 1.00 1.18 C ATOM 0 H LEU A 28 3.237 4.900 -2.602 1.00 0.30 H new ATOM 0 HA LEU A 28 3.112 5.655 -5.456 1.00 0.36 H new ATOM 0 HB2 LEU A 28 1.443 6.225 -3.443 1.00 0.46 H new ATOM 0 HB3 LEU A 28 2.595 7.519 -3.181 1.00 0.46 H new ATOM 0 HG LEU A 28 2.279 8.165 -5.613 1.00 0.62 H new ATOM 0 HD11 LEU A 28 0.208 7.378 -6.696 1.00 1.24 H new ATOM 0 HD12 LEU A 28 1.345 6.041 -6.401 1.00 1.24 H new ATOM 0 HD13 LEU A 28 -0.069 6.258 -5.341 1.00 1.24 H new ATOM 0 HD21 LEU A 28 0.147 9.314 -5.184 1.00 1.18 H new ATOM 0 HD22 LEU A 28 -0.136 8.257 -3.781 1.00 1.18 H new ATOM 0 HD23 LEU A 28 1.234 9.393 -3.777 1.00 1.18 H new ATOM 143 N SER A 29 5.602 6.107 -5.075 1.00 0.44 N ATOM 144 CA SER A 29 6.920 6.675 -5.256 1.00 0.56 C ATOM 145 C SER A 29 7.433 6.256 -6.616 1.00 0.68 C ATOM 146 O SER A 29 7.198 5.117 -7.021 1.00 1.05 O ATOM 147 CB SER A 29 7.873 6.167 -4.170 1.00 0.61 C ATOM 148 OG SER A 29 7.513 6.655 -2.891 1.00 1.27 O ATOM 0 H SER A 29 5.475 5.221 -5.564 1.00 0.44 H new ATOM 0 HA SER A 29 6.866 7.761 -5.186 1.00 0.56 H new ATOM 0 HB2 SER A 29 7.866 5.077 -4.159 1.00 0.61 H new ATOM 0 HB3 SER A 29 8.891 6.477 -4.405 1.00 0.61 H new ATOM 0 HG SER A 29 8.166 7.326 -2.601 1.00 1.27 H new ATOM 154 N ASN A 30 8.127 7.111 -7.339 1.00 0.60 N ATOM 155 CA ASN A 30 8.840 6.593 -8.485 1.00 0.67 C ATOM 156 C ASN A 30 10.338 6.727 -8.267 1.00 0.64 C ATOM 157 O ASN A 30 10.975 7.695 -8.670 1.00 0.68 O ATOM 158 CB ASN A 30 8.387 7.295 -9.778 1.00 0.79 C ATOM 159 CG ASN A 30 8.416 8.815 -9.693 1.00 1.85 C ATOM 160 OD1 ASN A 30 7.468 9.438 -9.210 1.00 2.75 O ATOM 161 ND2 ASN A 30 9.485 9.421 -10.181 1.00 2.45 N ATOM 0 H ASN A 30 8.211 8.113 -7.168 1.00 0.60 H new ATOM 0 HA ASN A 30 8.607 5.534 -8.598 1.00 0.67 H new ATOM 0 HB2 ASN A 30 9.028 6.974 -10.599 1.00 0.79 H new ATOM 0 HB3 ASN A 30 7.374 6.973 -10.020 1.00 0.79 H new ATOM 0 HD21 ASN A 30 9.545 10.439 -10.166 1.00 2.45 H new ATOM 0 HD22 ASN A 30 10.249 8.870 -10.572 1.00 2.45 H new ATOM 168 N ASP A 31 10.879 5.733 -7.584 1.00 0.63 N ATOM 169 CA ASP A 31 12.306 5.481 -7.545 1.00 0.67 C ATOM 170 C ASP A 31 12.547 4.070 -8.050 1.00 0.72 C ATOM 171 O ASP A 31 12.055 3.112 -7.451 1.00 0.81 O ATOM 172 CB ASP A 31 12.864 5.662 -6.132 1.00 0.72 C ATOM 173 CG ASP A 31 14.374 5.532 -6.091 1.00 0.92 C ATOM 174 OD1 ASP A 31 14.881 4.397 -6.033 1.00 1.45 O ATOM 175 OD2 ASP A 31 15.066 6.567 -6.116 1.00 1.57 O ATOM 0 H ASP A 31 10.331 5.071 -7.035 1.00 0.63 H new ATOM 0 HA ASP A 31 12.825 6.199 -8.180 1.00 0.67 H new ATOM 0 HB2 ASP A 31 12.575 6.642 -5.752 1.00 0.72 H new ATOM 0 HB3 ASP A 31 12.419 4.919 -5.470 1.00 0.72 H new ATOM 180 N LYS A 32 13.287 3.931 -9.132 1.00 0.78 N ATOM 181 CA LYS A 32 13.470 2.626 -9.756 1.00 0.82 C ATOM 182 C LYS A 32 14.236 1.667 -8.850 1.00 0.79 C ATOM 183 O LYS A 32 14.088 0.448 -8.957 1.00 0.81 O ATOM 184 CB LYS A 32 14.169 2.780 -11.098 1.00 0.99 C ATOM 185 CG LYS A 32 13.357 3.607 -12.076 1.00 1.10 C ATOM 186 CD LYS A 32 13.723 3.289 -13.508 1.00 1.61 C ATOM 187 CE LYS A 32 15.144 3.709 -13.836 1.00 2.22 C ATOM 188 NZ LYS A 32 15.454 3.536 -15.279 1.00 2.93 N ATOM 0 H LYS A 32 13.771 4.698 -9.599 1.00 0.78 H new ATOM 0 HA LYS A 32 12.484 2.192 -9.921 1.00 0.82 H new ATOM 0 HB2 LYS A 32 15.141 3.250 -10.947 1.00 0.99 H new ATOM 0 HB3 LYS A 32 14.354 1.794 -11.525 1.00 0.99 H new ATOM 0 HG2 LYS A 32 12.295 3.418 -11.920 1.00 1.10 H new ATOM 0 HG3 LYS A 32 13.523 4.667 -11.884 1.00 1.10 H new ATOM 0 HD2 LYS A 32 13.612 2.219 -13.682 1.00 1.61 H new ATOM 0 HD3 LYS A 32 13.031 3.795 -14.181 1.00 1.61 H new ATOM 0 HE2 LYS A 32 15.288 4.753 -13.556 1.00 2.22 H new ATOM 0 HE3 LYS A 32 15.843 3.121 -13.241 1.00 2.22 H new ATOM 0 HZ1 LYS A 32 16.434 3.834 -15.462 1.00 2.93 H new ATOM 0 HZ2 LYS A 32 15.342 2.536 -15.541 1.00 2.93 H new ATOM 0 HZ3 LYS A 32 14.804 4.117 -15.846 1.00 2.93 H new ATOM 202 N LYS A 33 15.027 2.216 -7.938 1.00 0.84 N ATOM 203 CA LYS A 33 15.820 1.401 -7.027 1.00 0.86 C ATOM 204 C LYS A 33 14.971 0.978 -5.833 1.00 0.74 C ATOM 205 O LYS A 33 15.065 -0.154 -5.355 1.00 0.70 O ATOM 206 CB LYS A 33 17.066 2.162 -6.544 1.00 1.02 C ATOM 207 CG LYS A 33 18.041 2.547 -7.653 1.00 1.56 C ATOM 208 CD LYS A 33 17.623 3.817 -8.389 1.00 2.24 C ATOM 209 CE LYS A 33 18.129 5.084 -7.702 1.00 2.94 C ATOM 210 NZ LYS A 33 17.548 5.289 -6.347 1.00 3.44 N ATOM 0 H LYS A 33 15.137 3.222 -7.809 1.00 0.84 H new ATOM 0 HA LYS A 33 16.152 0.514 -7.566 1.00 0.86 H new ATOM 0 HB2 LYS A 33 16.746 3.067 -6.028 1.00 1.02 H new ATOM 0 HB3 LYS A 33 17.591 1.547 -5.813 1.00 1.02 H new ATOM 0 HG2 LYS A 33 19.033 2.690 -7.225 1.00 1.56 H new ATOM 0 HG3 LYS A 33 18.116 1.726 -8.366 1.00 1.56 H new ATOM 0 HD2 LYS A 33 18.004 3.784 -9.410 1.00 2.24 H new ATOM 0 HD3 LYS A 33 16.536 3.853 -8.456 1.00 2.24 H new ATOM 0 HE2 LYS A 33 19.215 5.037 -7.621 1.00 2.94 H new ATOM 0 HE3 LYS A 33 17.893 5.946 -8.326 1.00 2.94 H new ATOM 0 HZ1 LYS A 33 17.631 6.291 -6.082 1.00 3.44 H new ATOM 0 HZ2 LYS A 33 16.545 5.014 -6.354 1.00 3.44 H new ATOM 0 HZ3 LYS A 33 18.062 4.705 -5.657 1.00 3.44 H new ATOM 224 N LEU A 34 14.139 1.900 -5.366 1.00 0.72 N ATOM 225 CA LEU A 34 13.237 1.640 -4.252 1.00 0.64 C ATOM 226 C LEU A 34 12.210 0.582 -4.618 1.00 0.58 C ATOM 227 O LEU A 34 12.028 -0.391 -3.886 1.00 0.62 O ATOM 228 CB LEU A 34 12.500 2.911 -3.854 1.00 0.63 C ATOM 229 CG LEU A 34 11.488 2.734 -2.727 1.00 0.69 C ATOM 230 CD1 LEU A 34 12.179 2.707 -1.380 1.00 1.37 C ATOM 231 CD2 LEU A 34 10.444 3.827 -2.782 1.00 1.46 C ATOM 0 H LEU A 34 14.070 2.844 -5.746 1.00 0.72 H new ATOM 0 HA LEU A 34 13.843 1.285 -3.418 1.00 0.64 H new ATOM 0 HB2 LEU A 34 13.232 3.660 -3.552 1.00 0.63 H new ATOM 0 HB3 LEU A 34 11.983 3.305 -4.729 1.00 0.63 H new ATOM 0 HG LEU A 34 10.986 1.776 -2.860 1.00 0.69 H new ATOM 0 HD11 LEU A 34 11.436 2.580 -0.592 1.00 1.37 H new ATOM 0 HD12 LEU A 34 12.885 1.877 -1.350 1.00 1.37 H new ATOM 0 HD13 LEU A 34 12.714 3.644 -1.227 1.00 1.37 H new ATOM 0 HD21 LEU A 34 9.728 3.688 -1.972 1.00 1.46 H new ATOM 0 HD22 LEU A 34 10.928 4.798 -2.676 1.00 1.46 H new ATOM 0 HD23 LEU A 34 9.922 3.784 -3.738 1.00 1.46 H new ATOM 243 N ILE A 35 11.538 0.794 -5.752 1.00 0.54 N ATOM 244 CA ILE A 35 10.491 -0.113 -6.217 1.00 0.52 C ATOM 245 C ILE A 35 10.994 -1.546 -6.245 1.00 0.55 C ATOM 246 O ILE A 35 10.261 -2.479 -5.918 1.00 0.58 O ATOM 247 CB ILE A 35 9.980 0.284 -7.623 1.00 0.56 C ATOM 248 CG1 ILE A 35 9.239 1.623 -7.555 1.00 0.57 C ATOM 249 CG2 ILE A 35 9.079 -0.804 -8.202 1.00 0.61 C ATOM 250 CD1 ILE A 35 8.777 2.134 -8.904 1.00 0.69 C ATOM 0 H ILE A 35 11.703 1.591 -6.367 1.00 0.54 H new ATOM 0 HA ILE A 35 9.662 -0.037 -5.514 1.00 0.52 H new ATOM 0 HB ILE A 35 10.839 0.394 -8.285 1.00 0.56 H new ATOM 0 HG12 ILE A 35 8.373 1.516 -6.901 1.00 0.57 H new ATOM 0 HG13 ILE A 35 9.893 2.367 -7.099 1.00 0.57 H new ATOM 0 HG21 ILE A 35 8.733 -0.502 -9.190 1.00 0.61 H new ATOM 0 HG22 ILE A 35 9.639 -1.735 -8.283 1.00 0.61 H new ATOM 0 HG23 ILE A 35 8.221 -0.953 -7.547 1.00 0.61 H new ATOM 0 HD11 ILE A 35 8.261 3.085 -8.775 1.00 0.69 H new ATOM 0 HD12 ILE A 35 9.640 2.274 -9.555 1.00 0.69 H new ATOM 0 HD13 ILE A 35 8.097 1.410 -9.354 1.00 0.69 H new ATOM 262 N GLU A 36 12.257 -1.711 -6.608 1.00 0.59 N ATOM 263 CA GLU A 36 12.860 -3.033 -6.646 1.00 0.66 C ATOM 264 C GLU A 36 12.818 -3.698 -5.280 1.00 0.62 C ATOM 265 O GLU A 36 12.240 -4.769 -5.139 1.00 0.62 O ATOM 266 CB GLU A 36 14.296 -2.970 -7.155 1.00 0.79 C ATOM 267 CG GLU A 36 14.380 -2.635 -8.628 1.00 0.76 C ATOM 268 CD GLU A 36 13.613 -3.619 -9.486 1.00 1.34 C ATOM 269 OE1 GLU A 36 12.413 -3.383 -9.749 1.00 2.15 O ATOM 270 OE2 GLU A 36 14.204 -4.637 -9.898 1.00 1.87 O ATOM 0 H GLU A 36 12.880 -0.950 -6.879 1.00 0.59 H new ATOM 0 HA GLU A 36 12.274 -3.636 -7.340 1.00 0.66 H new ATOM 0 HB2 GLU A 36 14.847 -2.222 -6.585 1.00 0.79 H new ATOM 0 HB3 GLU A 36 14.783 -3.929 -6.976 1.00 0.79 H new ATOM 0 HG2 GLU A 36 13.989 -1.631 -8.793 1.00 0.76 H new ATOM 0 HG3 GLU A 36 15.425 -2.625 -8.937 1.00 0.76 H new ATOM 277 N GLU A 37 13.387 -3.053 -4.270 1.00 0.62 N ATOM 278 CA GLU A 37 13.475 -3.664 -2.948 1.00 0.65 C ATOM 279 C GLU A 37 12.121 -3.685 -2.257 1.00 0.56 C ATOM 280 O GLU A 37 11.845 -4.573 -1.450 1.00 0.57 O ATOM 281 CB GLU A 37 14.495 -2.947 -2.065 1.00 0.73 C ATOM 282 CG GLU A 37 15.940 -3.218 -2.448 1.00 0.85 C ATOM 283 CD GLU A 37 16.912 -2.710 -1.404 1.00 1.30 C ATOM 284 OE1 GLU A 37 16.818 -3.153 -0.241 1.00 2.05 O ATOM 285 OE2 GLU A 37 17.778 -1.876 -1.741 1.00 1.84 O ATOM 0 H GLU A 37 13.790 -2.119 -4.337 1.00 0.62 H new ATOM 0 HA GLU A 37 13.808 -4.691 -3.097 1.00 0.65 H new ATOM 0 HB2 GLU A 37 14.312 -1.874 -2.114 1.00 0.73 H new ATOM 0 HB3 GLU A 37 14.341 -3.250 -1.029 1.00 0.73 H new ATOM 0 HG2 GLU A 37 16.083 -4.290 -2.585 1.00 0.85 H new ATOM 0 HG3 GLU A 37 16.156 -2.743 -3.405 1.00 0.85 H new ATOM 292 N ALA A 38 11.284 -2.703 -2.564 1.00 0.51 N ATOM 293 CA ALA A 38 9.919 -2.698 -2.068 1.00 0.46 C ATOM 294 C ALA A 38 9.194 -3.923 -2.596 1.00 0.42 C ATOM 295 O ALA A 38 8.409 -4.556 -1.888 1.00 0.43 O ATOM 296 CB ALA A 38 9.199 -1.423 -2.483 1.00 0.50 C ATOM 0 H ALA A 38 11.527 -1.905 -3.151 1.00 0.51 H new ATOM 0 HA ALA A 38 9.931 -2.729 -0.979 1.00 0.46 H new ATOM 0 HB1 ALA A 38 8.178 -1.441 -2.101 1.00 0.50 H new ATOM 0 HB2 ALA A 38 9.724 -0.559 -2.075 1.00 0.50 H new ATOM 0 HB3 ALA A 38 9.178 -1.355 -3.571 1.00 0.50 H new ATOM 302 N ARG A 39 9.487 -4.266 -3.844 1.00 0.43 N ATOM 303 CA ARG A 39 8.952 -5.472 -4.444 1.00 0.45 C ATOM 304 C ARG A 39 9.600 -6.694 -3.830 1.00 0.45 C ATOM 305 O ARG A 39 8.914 -7.632 -3.493 1.00 0.49 O ATOM 306 CB ARG A 39 9.189 -5.499 -5.946 1.00 0.53 C ATOM 307 CG ARG A 39 8.469 -6.637 -6.657 1.00 0.60 C ATOM 308 CD ARG A 39 9.216 -7.041 -7.920 1.00 0.77 C ATOM 309 NE ARG A 39 9.747 -5.885 -8.646 1.00 1.46 N ATOM 310 CZ ARG A 39 9.301 -5.462 -9.829 1.00 1.90 C ATOM 311 NH1 ARG A 39 8.255 -6.047 -10.404 1.00 1.82 N ATOM 312 NH2 ARG A 39 9.909 -4.447 -10.433 1.00 2.96 N ATOM 0 H ARG A 39 10.094 -3.722 -4.458 1.00 0.43 H new ATOM 0 HA ARG A 39 7.879 -5.480 -4.255 1.00 0.45 H new ATOM 0 HB2 ARG A 39 8.863 -4.551 -6.374 1.00 0.53 H new ATOM 0 HB3 ARG A 39 10.259 -5.583 -6.135 1.00 0.53 H new ATOM 0 HG2 ARG A 39 8.384 -7.494 -5.989 1.00 0.60 H new ATOM 0 HG3 ARG A 39 7.455 -6.330 -6.911 1.00 0.60 H new ATOM 0 HD2 ARG A 39 10.036 -7.709 -7.656 1.00 0.77 H new ATOM 0 HD3 ARG A 39 8.546 -7.600 -8.573 1.00 0.77 H new ATOM 0 HE ARG A 39 10.513 -5.367 -8.216 1.00 1.46 H new ATOM 0 HH11 ARG A 39 7.787 -6.826 -9.940 1.00 1.82 H new ATOM 0 HH12 ARG A 39 7.920 -5.717 -11.309 1.00 1.82 H new ATOM 0 HH21 ARG A 39 10.711 -3.997 -9.992 1.00 2.96 H new ATOM 0 HH22 ARG A 39 9.574 -4.117 -11.338 1.00 2.96 H new ATOM 326 N LYS A 40 10.925 -6.676 -3.695 1.00 0.49 N ATOM 327 CA LYS A 40 11.654 -7.830 -3.167 1.00 0.55 C ATOM 328 C LYS A 40 11.106 -8.224 -1.801 1.00 0.49 C ATOM 329 O LYS A 40 10.839 -9.396 -1.540 1.00 0.54 O ATOM 330 CB LYS A 40 13.162 -7.543 -3.047 1.00 0.70 C ATOM 331 CG LYS A 40 13.834 -7.083 -4.338 1.00 0.85 C ATOM 332 CD LYS A 40 13.312 -7.832 -5.548 1.00 1.27 C ATOM 333 CE LYS A 40 14.018 -7.399 -6.826 1.00 1.34 C ATOM 334 NZ LYS A 40 15.478 -7.670 -6.777 1.00 1.88 N ATOM 0 H LYS A 40 11.514 -5.880 -3.942 1.00 0.49 H new ATOM 0 HA LYS A 40 11.515 -8.651 -3.870 1.00 0.55 H new ATOM 0 HB2 LYS A 40 13.312 -6.779 -2.284 1.00 0.70 H new ATOM 0 HB3 LYS A 40 13.662 -8.446 -2.696 1.00 0.70 H new ATOM 0 HG2 LYS A 40 13.667 -6.014 -4.473 1.00 0.85 H new ATOM 0 HG3 LYS A 40 14.911 -7.229 -4.258 1.00 0.85 H new ATOM 0 HD2 LYS A 40 13.451 -8.903 -5.401 1.00 1.27 H new ATOM 0 HD3 LYS A 40 12.240 -7.660 -5.648 1.00 1.27 H new ATOM 0 HE2 LYS A 40 13.581 -7.922 -7.676 1.00 1.34 H new ATOM 0 HE3 LYS A 40 13.853 -6.334 -6.988 1.00 1.34 H new ATOM 0 HZ1 LYS A 40 15.876 -7.603 -7.735 1.00 1.88 H new ATOM 0 HZ2 LYS A 40 15.940 -6.972 -6.160 1.00 1.88 H new ATOM 0 HZ3 LYS A 40 15.641 -8.626 -6.401 1.00 1.88 H new ATOM 348 N MET A 41 10.914 -7.229 -0.950 1.00 0.45 N ATOM 349 CA MET A 41 10.425 -7.444 0.394 1.00 0.46 C ATOM 350 C MET A 41 8.988 -7.968 0.377 1.00 0.41 C ATOM 351 O MET A 41 8.657 -8.919 1.085 1.00 0.46 O ATOM 352 CB MET A 41 10.509 -6.125 1.153 1.00 0.57 C ATOM 353 CG MET A 41 10.217 -6.222 2.635 1.00 0.89 C ATOM 354 SD MET A 41 11.662 -6.659 3.633 1.00 1.10 S ATOM 355 CE MET A 41 11.902 -8.389 3.223 1.00 1.68 C ATOM 0 H MET A 41 11.094 -6.251 -1.176 1.00 0.45 H new ATOM 0 HA MET A 41 11.037 -8.197 0.890 1.00 0.46 H new ATOM 0 HB2 MET A 41 11.508 -5.710 1.021 1.00 0.57 H new ATOM 0 HB3 MET A 41 9.809 -5.420 0.705 1.00 0.57 H new ATOM 0 HG2 MET A 41 9.822 -5.267 2.982 1.00 0.89 H new ATOM 0 HG3 MET A 41 9.437 -6.967 2.795 1.00 0.89 H new ATOM 0 HE1 MET A 41 12.277 -8.922 4.097 1.00 1.68 H new ATOM 0 HE2 MET A 41 10.952 -8.824 2.912 1.00 1.68 H new ATOM 0 HE3 MET A 41 12.623 -8.474 2.410 1.00 1.68 H new ATOM 365 N ALA A 42 8.145 -7.359 -0.450 1.00 0.37 N ATOM 366 CA ALA A 42 6.742 -7.754 -0.542 1.00 0.39 C ATOM 367 C ALA A 42 6.581 -9.059 -1.314 1.00 0.42 C ATOM 368 O ALA A 42 5.632 -9.812 -1.092 1.00 0.49 O ATOM 369 CB ALA A 42 5.929 -6.650 -1.194 1.00 0.43 C ATOM 0 H ALA A 42 8.408 -6.590 -1.067 1.00 0.37 H new ATOM 0 HA ALA A 42 6.372 -7.918 0.470 1.00 0.39 H new ATOM 0 HB1 ALA A 42 4.885 -6.956 -1.257 1.00 0.43 H new ATOM 0 HB2 ALA A 42 6.005 -5.741 -0.597 1.00 0.43 H new ATOM 0 HB3 ALA A 42 6.312 -6.459 -2.196 1.00 0.43 H new ATOM 375 N GLU A 43 7.516 -9.318 -2.217 1.00 0.45 N ATOM 376 CA GLU A 43 7.515 -10.533 -3.015 1.00 0.59 C ATOM 377 C GLU A 43 7.686 -11.725 -2.081 1.00 0.63 C ATOM 378 O GLU A 43 6.983 -12.733 -2.183 1.00 0.75 O ATOM 379 CB GLU A 43 8.651 -10.488 -4.047 1.00 0.71 C ATOM 380 CG GLU A 43 8.478 -11.437 -5.226 1.00 0.87 C ATOM 381 CD GLU A 43 8.756 -12.883 -4.880 1.00 1.66 C ATOM 382 OE1 GLU A 43 9.917 -13.210 -4.560 1.00 2.36 O ATOM 383 OE2 GLU A 43 7.819 -13.705 -4.938 1.00 2.41 O ATOM 0 H GLU A 43 8.296 -8.691 -2.416 1.00 0.45 H new ATOM 0 HA GLU A 43 6.573 -10.625 -3.556 1.00 0.59 H new ATOM 0 HB2 GLU A 43 8.738 -9.470 -4.427 1.00 0.71 H new ATOM 0 HB3 GLU A 43 9.590 -10.722 -3.544 1.00 0.71 H new ATOM 0 HG2 GLU A 43 7.460 -11.351 -5.605 1.00 0.87 H new ATOM 0 HG3 GLU A 43 9.145 -11.129 -6.031 1.00 0.87 H new ATOM 390 N LYS A 44 8.616 -11.568 -1.143 1.00 0.60 N ATOM 391 CA LYS A 44 8.903 -12.589 -0.143 1.00 0.70 C ATOM 392 C LYS A 44 7.789 -12.671 0.894 1.00 0.66 C ATOM 393 O LYS A 44 7.600 -13.702 1.536 1.00 0.75 O ATOM 394 CB LYS A 44 10.228 -12.283 0.543 1.00 0.81 C ATOM 395 CG LYS A 44 11.386 -12.166 -0.428 1.00 1.39 C ATOM 396 CD LYS A 44 12.701 -12.027 0.302 1.00 2.35 C ATOM 397 CE LYS A 44 13.854 -11.807 -0.663 1.00 3.19 C ATOM 398 NZ LYS A 44 15.136 -11.565 0.049 1.00 3.63 N ATOM 0 H LYS A 44 9.191 -10.730 -1.056 1.00 0.60 H new ATOM 0 HA LYS A 44 8.969 -13.552 -0.649 1.00 0.70 H new ATOM 0 HB2 LYS A 44 10.135 -11.352 1.102 1.00 0.81 H new ATOM 0 HB3 LYS A 44 10.446 -13.069 1.266 1.00 0.81 H new ATOM 0 HG2 LYS A 44 11.415 -13.046 -1.070 1.00 1.39 H new ATOM 0 HG3 LYS A 44 11.234 -11.303 -1.076 1.00 1.39 H new ATOM 0 HD2 LYS A 44 12.644 -11.191 0.999 1.00 2.35 H new ATOM 0 HD3 LYS A 44 12.886 -12.924 0.893 1.00 2.35 H new ATOM 0 HE2 LYS A 44 13.957 -12.678 -1.310 1.00 3.19 H new ATOM 0 HE3 LYS A 44 13.631 -10.957 -1.307 1.00 3.19 H new ATOM 0 HZ1 LYS A 44 15.897 -11.420 -0.645 1.00 3.63 H new ATOM 0 HZ2 LYS A 44 15.047 -10.719 0.647 1.00 3.63 H new ATOM 0 HZ3 LYS A 44 15.363 -12.387 0.644 1.00 3.63 H new ATOM 412 N ALA A 45 7.054 -11.577 1.048 1.00 0.57 N ATOM 413 CA ALA A 45 5.983 -11.506 2.033 1.00 0.59 C ATOM 414 C ALA A 45 4.652 -11.969 1.448 1.00 0.59 C ATOM 415 O ALA A 45 3.637 -12.008 2.146 1.00 0.66 O ATOM 416 CB ALA A 45 5.862 -10.090 2.572 1.00 0.56 C ATOM 0 H ALA A 45 7.181 -10.725 0.502 1.00 0.57 H new ATOM 0 HA ALA A 45 6.235 -12.179 2.852 1.00 0.59 H new ATOM 0 HB1 ALA A 45 5.059 -10.048 3.307 1.00 0.56 H new ATOM 0 HB2 ALA A 45 6.801 -9.799 3.043 1.00 0.56 H new ATOM 0 HB3 ALA A 45 5.640 -9.407 1.753 1.00 0.56 H new ATOM 422 N ASN A 46 4.671 -12.313 0.160 1.00 0.56 N ATOM 423 CA ASN A 46 3.488 -12.811 -0.548 1.00 0.60 C ATOM 424 C ASN A 46 2.378 -11.767 -0.584 1.00 0.54 C ATOM 425 O ASN A 46 1.190 -12.094 -0.532 1.00 0.63 O ATOM 426 CB ASN A 46 2.974 -14.116 0.077 1.00 0.76 C ATOM 427 CG ASN A 46 3.893 -15.295 -0.193 1.00 1.41 C ATOM 428 OD1 ASN A 46 4.819 -15.569 0.570 1.00 2.03 O ATOM 429 ND2 ASN A 46 3.643 -16.004 -1.284 1.00 2.18 N ATOM 0 H ASN A 46 5.506 -12.255 -0.423 1.00 0.56 H new ATOM 0 HA ASN A 46 3.791 -13.018 -1.574 1.00 0.60 H new ATOM 0 HB2 ASN A 46 2.868 -13.982 1.154 1.00 0.76 H new ATOM 0 HB3 ASN A 46 1.981 -14.336 -0.316 1.00 0.76 H new ATOM 0 HD21 ASN A 46 4.227 -16.807 -1.515 1.00 2.18 H new ATOM 0 HD22 ASN A 46 2.866 -15.746 -1.893 1.00 2.18 H new ATOM 436 N LEU A 47 2.777 -10.511 -0.695 1.00 0.44 N ATOM 437 CA LEU A 47 1.830 -9.410 -0.755 1.00 0.42 C ATOM 438 C LEU A 47 1.571 -9.016 -2.203 1.00 0.41 C ATOM 439 O LEU A 47 2.452 -9.142 -3.056 1.00 0.58 O ATOM 440 CB LEU A 47 2.378 -8.198 0.000 1.00 0.43 C ATOM 441 CG LEU A 47 2.776 -8.439 1.459 1.00 0.45 C ATOM 442 CD1 LEU A 47 3.387 -7.182 2.051 1.00 0.47 C ATOM 443 CD2 LEU A 47 1.578 -8.873 2.284 1.00 0.59 C ATOM 0 H LEU A 47 3.755 -10.227 -0.746 1.00 0.44 H new ATOM 0 HA LEU A 47 0.898 -9.736 -0.293 1.00 0.42 H new ATOM 0 HB2 LEU A 47 3.250 -7.825 -0.537 1.00 0.43 H new ATOM 0 HB3 LEU A 47 1.626 -7.409 -0.025 1.00 0.43 H new ATOM 0 HG LEU A 47 3.516 -9.239 1.481 1.00 0.45 H new ATOM 0 HD11 LEU A 47 3.666 -7.367 3.088 1.00 0.47 H new ATOM 0 HD12 LEU A 47 4.274 -6.905 1.481 1.00 0.47 H new ATOM 0 HD13 LEU A 47 2.661 -6.370 2.009 1.00 0.47 H new ATOM 0 HD21 LEU A 47 1.887 -9.038 3.316 1.00 0.59 H new ATOM 0 HD22 LEU A 47 0.814 -8.096 2.254 1.00 0.59 H new ATOM 0 HD23 LEU A 47 1.171 -9.798 1.875 1.00 0.59 H new ATOM 455 N ILE A 48 0.364 -8.546 -2.479 1.00 0.30 N ATOM 456 CA ILE A 48 0.030 -8.036 -3.803 1.00 0.32 C ATOM 457 C ILE A 48 0.568 -6.617 -3.948 1.00 0.32 C ATOM 458 O ILE A 48 0.045 -5.688 -3.335 1.00 0.33 O ATOM 459 CB ILE A 48 -1.495 -8.005 -4.040 1.00 0.36 C ATOM 460 CG1 ILE A 48 -2.135 -9.369 -3.751 1.00 0.40 C ATOM 461 CG2 ILE A 48 -1.793 -7.566 -5.471 1.00 0.43 C ATOM 462 CD1 ILE A 48 -2.064 -10.347 -4.904 1.00 0.53 C ATOM 0 H ILE A 48 -0.401 -8.507 -1.805 1.00 0.30 H new ATOM 0 HA ILE A 48 0.481 -8.704 -4.536 1.00 0.32 H new ATOM 0 HB ILE A 48 -1.931 -7.284 -3.349 1.00 0.36 H new ATOM 0 HG12 ILE A 48 -1.644 -9.811 -2.884 1.00 0.40 H new ATOM 0 HG13 ILE A 48 -3.180 -9.217 -3.482 1.00 0.40 H new ATOM 0 HG21 ILE A 48 -2.871 -7.547 -5.629 1.00 0.43 H new ATOM 0 HG22 ILE A 48 -1.384 -6.569 -5.638 1.00 0.43 H new ATOM 0 HG23 ILE A 48 -1.336 -8.267 -6.169 1.00 0.43 H new ATOM 0 HD11 ILE A 48 -2.539 -11.285 -4.615 1.00 0.53 H new ATOM 0 HD12 ILE A 48 -2.581 -9.929 -5.768 1.00 0.53 H new ATOM 0 HD13 ILE A 48 -1.021 -10.532 -5.160 1.00 0.53 H new ATOM 474 N LEU A 49 1.615 -6.451 -4.736 1.00 0.34 N ATOM 475 CA LEU A 49 2.220 -5.138 -4.911 1.00 0.35 C ATOM 476 C LEU A 49 1.598 -4.402 -6.086 1.00 0.35 C ATOM 477 O LEU A 49 1.484 -4.948 -7.186 1.00 0.44 O ATOM 478 CB LEU A 49 3.730 -5.256 -5.132 1.00 0.44 C ATOM 479 CG LEU A 49 4.447 -3.926 -5.391 1.00 0.58 C ATOM 480 CD1 LEU A 49 4.497 -3.078 -4.130 1.00 0.90 C ATOM 481 CD2 LEU A 49 5.846 -4.170 -5.927 1.00 1.14 C ATOM 0 H LEU A 49 2.063 -7.201 -5.262 1.00 0.34 H new ATOM 0 HA LEU A 49 2.035 -4.572 -3.998 1.00 0.35 H new ATOM 0 HB2 LEU A 49 4.175 -5.728 -4.257 1.00 0.44 H new ATOM 0 HB3 LEU A 49 3.909 -5.920 -5.978 1.00 0.44 H new ATOM 0 HG LEU A 49 3.880 -3.378 -6.143 1.00 0.58 H new ATOM 0 HD11 LEU A 49 5.011 -2.140 -4.342 1.00 0.90 H new ATOM 0 HD12 LEU A 49 3.482 -2.867 -3.793 1.00 0.90 H new ATOM 0 HD13 LEU A 49 5.034 -3.618 -3.350 1.00 0.90 H new ATOM 0 HD21 LEU A 49 6.339 -3.214 -6.105 1.00 1.14 H new ATOM 0 HD22 LEU A 49 6.419 -4.745 -5.199 1.00 1.14 H new ATOM 0 HD23 LEU A 49 5.785 -4.727 -6.862 1.00 1.14 H new ATOM 493 N ILE A 50 1.190 -3.166 -5.849 1.00 0.33 N ATOM 494 CA ILE A 50 0.715 -2.303 -6.916 1.00 0.34 C ATOM 495 C ILE A 50 1.598 -1.063 -7.006 1.00 0.32 C ATOM 496 O ILE A 50 1.567 -0.194 -6.132 1.00 0.36 O ATOM 497 CB ILE A 50 -0.765 -1.871 -6.739 1.00 0.41 C ATOM 498 CG1 ILE A 50 -1.717 -3.076 -6.790 1.00 0.48 C ATOM 499 CG2 ILE A 50 -1.154 -0.865 -7.813 1.00 0.46 C ATOM 500 CD1 ILE A 50 -1.801 -3.859 -5.498 1.00 0.94 C ATOM 0 H ILE A 50 1.179 -2.737 -4.923 1.00 0.33 H new ATOM 0 HA ILE A 50 0.770 -2.883 -7.837 1.00 0.34 H new ATOM 0 HB ILE A 50 -0.855 -1.408 -5.756 1.00 0.41 H new ATOM 0 HG12 ILE A 50 -2.715 -2.725 -7.054 1.00 0.48 H new ATOM 0 HG13 ILE A 50 -1.394 -3.746 -7.587 1.00 0.48 H new ATOM 0 HG21 ILE A 50 -2.195 -0.571 -7.676 1.00 0.46 H new ATOM 0 HG22 ILE A 50 -0.515 0.015 -7.736 1.00 0.46 H new ATOM 0 HG23 ILE A 50 -1.031 -1.317 -8.797 1.00 0.46 H new ATOM 0 HD11 ILE A 50 -2.494 -4.691 -5.621 1.00 0.94 H new ATOM 0 HD12 ILE A 50 -0.814 -4.244 -5.241 1.00 0.94 H new ATOM 0 HD13 ILE A 50 -2.155 -3.207 -4.700 1.00 0.94 H new ATOM 512 N THR A 51 2.402 -1.008 -8.052 1.00 0.32 N ATOM 513 CA THR A 51 3.265 0.133 -8.296 1.00 0.35 C ATOM 514 C THR A 51 2.480 1.251 -8.976 1.00 0.38 C ATOM 515 O THR A 51 1.822 1.027 -9.997 1.00 0.55 O ATOM 516 CB THR A 51 4.472 -0.272 -9.165 1.00 0.47 C ATOM 517 OG1 THR A 51 4.039 -1.088 -10.265 1.00 1.17 O ATOM 518 CG2 THR A 51 5.498 -1.033 -8.338 1.00 0.89 C ATOM 0 H THR A 51 2.475 -1.747 -8.751 1.00 0.32 H new ATOM 0 HA THR A 51 3.637 0.494 -7.337 1.00 0.35 H new ATOM 0 HB THR A 51 4.935 0.637 -9.550 1.00 0.47 H new ATOM 0 HG1 THR A 51 3.218 -0.713 -10.647 1.00 1.17 H new ATOM 0 HG21 THR A 51 6.342 -1.310 -8.970 1.00 0.89 H new ATOM 0 HG22 THR A 51 5.848 -0.401 -7.521 1.00 0.89 H new ATOM 0 HG23 THR A 51 5.040 -1.934 -7.929 1.00 0.89 H new ATOM 526 N VAL A 52 2.525 2.444 -8.398 1.00 0.39 N ATOM 527 CA VAL A 52 1.747 3.559 -8.901 1.00 0.49 C ATOM 528 C VAL A 52 2.414 4.888 -8.544 1.00 0.58 C ATOM 529 O VAL A 52 2.980 5.032 -7.463 1.00 0.80 O ATOM 530 CB VAL A 52 0.312 3.495 -8.326 1.00 0.59 C ATOM 531 CG1 VAL A 52 0.339 3.393 -6.806 1.00 1.38 C ATOM 532 CG2 VAL A 52 -0.516 4.686 -8.769 1.00 1.04 C ATOM 0 H VAL A 52 3.094 2.661 -7.580 1.00 0.39 H new ATOM 0 HA VAL A 52 1.695 3.492 -9.988 1.00 0.49 H new ATOM 0 HB VAL A 52 -0.161 2.596 -8.721 1.00 0.59 H new ATOM 0 HG11 VAL A 52 -0.682 3.349 -6.426 1.00 1.38 H new ATOM 0 HG12 VAL A 52 0.875 2.491 -6.511 1.00 1.38 H new ATOM 0 HG13 VAL A 52 0.843 4.266 -6.392 1.00 1.38 H new ATOM 0 HG21 VAL A 52 -1.518 4.609 -8.347 1.00 1.04 H new ATOM 0 HG22 VAL A 52 -0.045 5.606 -8.422 1.00 1.04 H new ATOM 0 HG23 VAL A 52 -0.580 4.700 -9.857 1.00 1.04 H new ATOM 542 N GLY A 53 2.383 5.849 -9.462 1.00 0.66 N ATOM 543 CA GLY A 53 2.948 7.151 -9.173 1.00 0.75 C ATOM 544 C GLY A 53 2.108 8.282 -9.727 1.00 0.81 C ATOM 545 O GLY A 53 2.248 8.645 -10.896 1.00 1.24 O ATOM 0 H GLY A 53 1.980 5.749 -10.394 1.00 0.66 H new ATOM 0 HA2 GLY A 53 3.046 7.270 -8.094 1.00 0.75 H new ATOM 0 HA3 GLY A 53 3.952 7.209 -9.592 1.00 0.75 H new ATOM 549 N ASP A 54 1.262 8.830 -8.849 1.00 0.71 N ATOM 550 CA ASP A 54 0.343 9.943 -9.131 1.00 0.82 C ATOM 551 C ASP A 54 -0.851 9.799 -8.187 1.00 0.70 C ATOM 552 O ASP A 54 -1.300 8.682 -7.926 1.00 0.64 O ATOM 553 CB ASP A 54 -0.155 9.939 -10.583 1.00 1.08 C ATOM 554 CG ASP A 54 -1.058 11.114 -10.899 1.00 1.34 C ATOM 555 OD1 ASP A 54 -2.288 10.977 -10.750 1.00 1.75 O ATOM 556 OD2 ASP A 54 -0.543 12.177 -11.306 1.00 1.98 O ATOM 0 H ASP A 54 1.194 8.500 -7.886 1.00 0.71 H new ATOM 0 HA ASP A 54 0.873 10.884 -8.980 1.00 0.82 H new ATOM 0 HB2 ASP A 54 0.702 9.955 -11.256 1.00 1.08 H new ATOM 0 HB3 ASP A 54 -0.694 9.011 -10.775 1.00 1.08 H new ATOM 561 N GLU A 55 -1.365 10.915 -7.671 1.00 0.80 N ATOM 562 CA GLU A 55 -2.403 10.872 -6.643 1.00 0.79 C ATOM 563 C GLU A 55 -3.730 10.405 -7.217 1.00 0.69 C ATOM 564 O GLU A 55 -4.550 9.813 -6.512 1.00 0.71 O ATOM 565 CB GLU A 55 -2.585 12.244 -6.009 1.00 0.95 C ATOM 566 CG GLU A 55 -1.279 12.869 -5.551 1.00 0.90 C ATOM 567 CD GLU A 55 -1.484 14.183 -4.836 1.00 1.53 C ATOM 568 OE1 GLU A 55 -1.223 15.244 -5.439 1.00 2.16 O ATOM 569 OE2 GLU A 55 -1.897 14.161 -3.663 1.00 2.21 O ATOM 0 H GLU A 55 -1.081 11.855 -7.947 1.00 0.80 H new ATOM 0 HA GLU A 55 -2.080 10.160 -5.884 1.00 0.79 H new ATOM 0 HB2 GLU A 55 -3.066 12.908 -6.727 1.00 0.95 H new ATOM 0 HB3 GLU A 55 -3.257 12.157 -5.156 1.00 0.95 H new ATOM 0 HG2 GLU A 55 -0.761 12.176 -4.888 1.00 0.90 H new ATOM 0 HG3 GLU A 55 -0.633 13.026 -6.415 1.00 0.90 H new ATOM 576 N GLU A 56 -3.941 10.674 -8.495 1.00 0.70 N ATOM 577 CA GLU A 56 -5.155 10.252 -9.164 1.00 0.70 C ATOM 578 C GLU A 56 -5.022 8.789 -9.553 1.00 0.66 C ATOM 579 O GLU A 56 -5.994 8.033 -9.549 1.00 0.67 O ATOM 580 CB GLU A 56 -5.412 11.117 -10.399 1.00 0.82 C ATOM 581 CG GLU A 56 -5.390 12.610 -10.115 1.00 0.93 C ATOM 582 CD GLU A 56 -6.479 13.044 -9.156 1.00 1.33 C ATOM 583 OE1 GLU A 56 -7.602 13.331 -9.619 1.00 2.04 O ATOM 584 OE2 GLU A 56 -6.214 13.113 -7.937 1.00 1.89 O ATOM 0 H GLU A 56 -3.285 11.183 -9.088 1.00 0.70 H new ATOM 0 HA GLU A 56 -6.003 10.371 -8.490 1.00 0.70 H new ATOM 0 HB2 GLU A 56 -4.660 10.889 -11.154 1.00 0.82 H new ATOM 0 HB3 GLU A 56 -6.380 10.851 -10.823 1.00 0.82 H new ATOM 0 HG2 GLU A 56 -4.419 12.882 -9.701 1.00 0.93 H new ATOM 0 HG3 GLU A 56 -5.500 13.155 -11.053 1.00 0.93 H new ATOM 591 N GLU A 57 -3.796 8.389 -9.863 1.00 0.65 N ATOM 592 CA GLU A 57 -3.509 7.003 -10.179 1.00 0.65 C ATOM 593 C GLU A 57 -3.587 6.140 -8.928 1.00 0.55 C ATOM 594 O GLU A 57 -3.833 4.940 -9.014 1.00 0.52 O ATOM 595 CB GLU A 57 -2.140 6.863 -10.842 1.00 0.73 C ATOM 596 CG GLU A 57 -2.040 7.575 -12.179 1.00 1.11 C ATOM 597 CD GLU A 57 -3.061 7.078 -13.180 1.00 1.52 C ATOM 598 OE1 GLU A 57 -2.787 6.066 -13.856 1.00 2.13 O ATOM 599 OE2 GLU A 57 -4.137 7.703 -13.301 1.00 2.16 O ATOM 0 H GLU A 57 -2.986 9.008 -9.901 1.00 0.65 H new ATOM 0 HA GLU A 57 -4.263 6.657 -10.885 1.00 0.65 H new ATOM 0 HB2 GLU A 57 -1.378 7.258 -10.171 1.00 0.73 H new ATOM 0 HB3 GLU A 57 -1.921 5.805 -10.985 1.00 0.73 H new ATOM 0 HG2 GLU A 57 -2.176 8.646 -12.027 1.00 1.11 H new ATOM 0 HG3 GLU A 57 -1.039 7.436 -12.587 1.00 1.11 H new ATOM 606 N LEU A 58 -3.380 6.748 -7.761 1.00 0.52 N ATOM 607 CA LEU A 58 -3.559 6.036 -6.500 1.00 0.48 C ATOM 608 C LEU A 58 -5.025 5.667 -6.331 1.00 0.46 C ATOM 609 O LEU A 58 -5.350 4.608 -5.800 1.00 0.44 O ATOM 610 CB LEU A 58 -3.084 6.867 -5.303 1.00 0.52 C ATOM 611 CG LEU A 58 -3.160 6.140 -3.953 1.00 0.55 C ATOM 612 CD1 LEU A 58 -2.264 4.911 -3.955 1.00 0.83 C ATOM 613 CD2 LEU A 58 -2.781 7.064 -2.808 1.00 0.74 C ATOM 0 H LEU A 58 -3.091 7.721 -7.664 1.00 0.52 H new ATOM 0 HA LEU A 58 -2.950 5.133 -6.532 1.00 0.48 H new ATOM 0 HB2 LEU A 58 -2.053 7.176 -5.477 1.00 0.52 H new ATOM 0 HB3 LEU A 58 -3.684 7.775 -5.246 1.00 0.52 H new ATOM 0 HG LEU A 58 -4.192 5.822 -3.805 1.00 0.55 H new ATOM 0 HD11 LEU A 58 -2.332 4.410 -2.990 1.00 0.83 H new ATOM 0 HD12 LEU A 58 -2.585 4.228 -4.742 1.00 0.83 H new ATOM 0 HD13 LEU A 58 -1.232 5.213 -4.135 1.00 0.83 H new ATOM 0 HD21 LEU A 58 -2.844 6.520 -1.865 1.00 0.74 H new ATOM 0 HD22 LEU A 58 -1.762 7.423 -2.952 1.00 0.74 H new ATOM 0 HD23 LEU A 58 -3.464 7.913 -2.784 1.00 0.74 H new ATOM 625 N LYS A 59 -5.904 6.543 -6.813 1.00 0.52 N ATOM 626 CA LYS A 59 -7.339 6.271 -6.820 1.00 0.57 C ATOM 627 C LYS A 59 -7.636 5.030 -7.647 1.00 0.51 C ATOM 628 O LYS A 59 -8.612 4.318 -7.413 1.00 0.58 O ATOM 629 CB LYS A 59 -8.106 7.475 -7.373 1.00 0.69 C ATOM 630 CG LYS A 59 -8.008 8.720 -6.504 1.00 0.76 C ATOM 631 CD LYS A 59 -8.556 9.945 -7.222 1.00 0.97 C ATOM 632 CE LYS A 59 -8.673 11.144 -6.294 1.00 1.64 C ATOM 633 NZ LYS A 59 -9.642 10.910 -5.192 1.00 2.26 N ATOM 0 H LYS A 59 -5.647 7.449 -7.205 1.00 0.52 H new ATOM 0 HA LYS A 59 -7.665 6.093 -5.795 1.00 0.57 H new ATOM 0 HB2 LYS A 59 -7.728 7.708 -8.369 1.00 0.69 H new ATOM 0 HB3 LYS A 59 -9.156 7.204 -7.486 1.00 0.69 H new ATOM 0 HG2 LYS A 59 -8.560 8.563 -5.577 1.00 0.76 H new ATOM 0 HG3 LYS A 59 -6.967 8.893 -6.230 1.00 0.76 H new ATOM 0 HD2 LYS A 59 -7.904 10.196 -8.059 1.00 0.97 H new ATOM 0 HD3 LYS A 59 -9.536 9.713 -7.639 1.00 0.97 H new ATOM 0 HE2 LYS A 59 -7.694 11.371 -5.872 1.00 1.64 H new ATOM 0 HE3 LYS A 59 -8.983 12.017 -6.869 1.00 1.64 H new ATOM 0 HZ1 LYS A 59 -9.920 11.821 -4.775 1.00 2.26 H new ATOM 0 HZ2 LYS A 59 -10.485 10.429 -5.567 1.00 2.26 H new ATOM 0 HZ3 LYS A 59 -9.200 10.316 -4.462 1.00 2.26 H new ATOM 647 N LYS A 60 -6.769 4.777 -8.602 1.00 0.49 N ATOM 648 CA LYS A 60 -6.900 3.633 -9.481 1.00 0.48 C ATOM 649 C LYS A 60 -6.205 2.412 -8.885 1.00 0.41 C ATOM 650 O LYS A 60 -6.706 1.297 -8.986 1.00 0.41 O ATOM 651 CB LYS A 60 -6.299 3.997 -10.830 1.00 0.58 C ATOM 652 CG LYS A 60 -6.766 5.362 -11.304 1.00 0.72 C ATOM 653 CD LYS A 60 -8.175 5.314 -11.874 1.00 1.19 C ATOM 654 CE LYS A 60 -8.239 4.504 -13.161 1.00 1.91 C ATOM 655 NZ LYS A 60 -9.609 4.491 -13.736 1.00 2.35 N ATOM 0 H LYS A 60 -5.952 5.358 -8.792 1.00 0.49 H new ATOM 0 HA LYS A 60 -7.952 3.377 -9.604 1.00 0.48 H new ATOM 0 HB2 LYS A 60 -5.211 3.990 -10.758 1.00 0.58 H new ATOM 0 HB3 LYS A 60 -6.575 3.242 -11.567 1.00 0.58 H new ATOM 0 HG2 LYS A 60 -6.735 6.065 -10.472 1.00 0.72 H new ATOM 0 HG3 LYS A 60 -6.080 5.737 -12.064 1.00 0.72 H new ATOM 0 HD2 LYS A 60 -8.850 4.879 -11.137 1.00 1.19 H new ATOM 0 HD3 LYS A 60 -8.524 6.329 -12.066 1.00 1.19 H new ATOM 0 HE2 LYS A 60 -7.543 4.922 -13.889 1.00 1.91 H new ATOM 0 HE3 LYS A 60 -7.918 3.481 -12.963 1.00 1.91 H new ATOM 0 HZ1 LYS A 60 -9.613 3.930 -14.611 1.00 2.35 H new ATOM 0 HZ2 LYS A 60 -10.269 4.069 -13.052 1.00 2.35 H new ATOM 0 HZ3 LYS A 60 -9.906 5.465 -13.948 1.00 2.35 H new ATOM 669 N ALA A 61 -5.060 2.638 -8.245 1.00 0.40 N ATOM 670 CA ALA A 61 -4.293 1.565 -7.623 1.00 0.39 C ATOM 671 C ALA A 61 -5.061 0.955 -6.459 1.00 0.32 C ATOM 672 O ALA A 61 -5.080 -0.264 -6.283 1.00 0.34 O ATOM 673 CB ALA A 61 -2.942 2.090 -7.155 1.00 0.47 C ATOM 0 H ALA A 61 -4.642 3.563 -8.144 1.00 0.40 H new ATOM 0 HA ALA A 61 -4.128 0.784 -8.365 1.00 0.39 H new ATOM 0 HB1 ALA A 61 -2.378 1.281 -6.692 1.00 0.47 H new ATOM 0 HB2 ALA A 61 -2.387 2.478 -8.009 1.00 0.47 H new ATOM 0 HB3 ALA A 61 -3.094 2.888 -6.428 1.00 0.47 H new ATOM 679 N ILE A 62 -5.695 1.811 -5.667 1.00 0.31 N ATOM 680 CA ILE A 62 -6.525 1.356 -4.559 1.00 0.37 C ATOM 681 C ILE A 62 -7.685 0.500 -5.072 1.00 0.36 C ATOM 682 O ILE A 62 -7.947 -0.583 -4.550 1.00 0.38 O ATOM 683 CB ILE A 62 -7.078 2.544 -3.737 1.00 0.49 C ATOM 684 CG1 ILE A 62 -5.951 3.267 -3.001 1.00 0.45 C ATOM 685 CG2 ILE A 62 -8.115 2.062 -2.741 1.00 0.83 C ATOM 686 CD1 ILE A 62 -6.395 4.547 -2.327 1.00 0.53 C ATOM 0 H ILE A 62 -5.650 2.825 -5.772 1.00 0.31 H new ATOM 0 HA ILE A 62 -5.893 0.753 -3.906 1.00 0.37 H new ATOM 0 HB ILE A 62 -7.547 3.243 -4.430 1.00 0.49 H new ATOM 0 HG12 ILE A 62 -5.530 2.598 -2.251 1.00 0.45 H new ATOM 0 HG13 ILE A 62 -5.154 3.496 -3.708 1.00 0.45 H new ATOM 0 HG21 ILE A 62 -8.494 2.910 -2.171 1.00 0.83 H new ATOM 0 HG22 ILE A 62 -8.938 1.586 -3.274 1.00 0.83 H new ATOM 0 HG23 ILE A 62 -7.659 1.342 -2.061 1.00 0.83 H new ATOM 0 HD11 ILE A 62 -5.545 5.007 -1.824 1.00 0.53 H new ATOM 0 HD12 ILE A 62 -6.790 5.234 -3.075 1.00 0.53 H new ATOM 0 HD13 ILE A 62 -7.171 4.323 -1.595 1.00 0.53 H new ATOM 698 N LYS A 63 -8.360 0.982 -6.111 1.00 0.37 N ATOM 699 CA LYS A 63 -9.476 0.252 -6.702 1.00 0.40 C ATOM 700 C LYS A 63 -8.986 -1.037 -7.363 1.00 0.35 C ATOM 701 O LYS A 63 -9.673 -2.059 -7.344 1.00 0.40 O ATOM 702 CB LYS A 63 -10.208 1.137 -7.716 1.00 0.49 C ATOM 703 CG LYS A 63 -11.391 0.458 -8.396 1.00 0.59 C ATOM 704 CD LYS A 63 -12.456 0.011 -7.401 1.00 1.21 C ATOM 705 CE LYS A 63 -13.088 1.188 -6.675 1.00 1.94 C ATOM 706 NZ LYS A 63 -14.221 0.760 -5.812 1.00 2.76 N ATOM 0 H LYS A 63 -8.154 1.874 -6.561 1.00 0.37 H new ATOM 0 HA LYS A 63 -10.175 -0.018 -5.910 1.00 0.40 H new ATOM 0 HB2 LYS A 63 -10.561 2.036 -7.210 1.00 0.49 H new ATOM 0 HB3 LYS A 63 -9.500 1.458 -8.479 1.00 0.49 H new ATOM 0 HG2 LYS A 63 -11.836 1.145 -9.116 1.00 0.59 H new ATOM 0 HG3 LYS A 63 -11.037 -0.407 -8.957 1.00 0.59 H new ATOM 0 HD2 LYS A 63 -13.230 -0.549 -7.926 1.00 1.21 H new ATOM 0 HD3 LYS A 63 -12.010 -0.667 -6.673 1.00 1.21 H new ATOM 0 HE2 LYS A 63 -12.334 1.686 -6.065 1.00 1.94 H new ATOM 0 HE3 LYS A 63 -13.441 1.917 -7.404 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 -14.626 1.590 -5.334 1.00 2.76 H new ATOM 0 HZ2 LYS A 63 -14.952 0.307 -6.397 1.00 2.76 H new ATOM 0 HZ3 LYS A 63 -13.879 0.083 -5.100 1.00 2.76 H new ATOM 720 N LYS A 64 -7.791 -0.976 -7.938 1.00 0.34 N ATOM 721 CA LYS A 64 -7.147 -2.147 -8.520 1.00 0.39 C ATOM 722 C LYS A 64 -6.994 -3.245 -7.471 1.00 0.35 C ATOM 723 O LYS A 64 -7.277 -4.415 -7.734 1.00 0.40 O ATOM 724 CB LYS A 64 -5.778 -1.750 -9.087 1.00 0.51 C ATOM 725 CG LYS A 64 -4.959 -2.907 -9.637 1.00 1.05 C ATOM 726 CD LYS A 64 -3.631 -2.417 -10.195 1.00 1.04 C ATOM 727 CE LYS A 64 -2.744 -3.571 -10.630 1.00 1.59 C ATOM 728 NZ LYS A 64 -1.471 -3.099 -11.236 1.00 2.11 N ATOM 0 H LYS A 64 -7.244 -0.119 -8.014 1.00 0.34 H new ATOM 0 HA LYS A 64 -7.768 -2.533 -9.328 1.00 0.39 H new ATOM 0 HB2 LYS A 64 -5.927 -1.018 -9.881 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -5.204 -1.257 -8.303 1.00 0.51 H new ATOM 0 HG2 LYS A 64 -4.779 -3.637 -8.848 1.00 1.05 H new ATOM 0 HG3 LYS A 64 -5.521 -3.416 -10.420 1.00 1.05 H new ATOM 0 HD2 LYS A 64 -3.814 -1.759 -11.044 1.00 1.04 H new ATOM 0 HD3 LYS A 64 -3.114 -1.826 -9.439 1.00 1.04 H new ATOM 0 HE2 LYS A 64 -2.523 -4.203 -9.770 1.00 1.59 H new ATOM 0 HE3 LYS A 64 -3.281 -4.189 -11.350 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 -0.934 -3.914 -11.595 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 -1.680 -2.449 -12.021 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 -0.907 -2.603 -10.517 1.00 2.11 H new ATOM 742 N ALA A 65 -6.564 -2.850 -6.278 1.00 0.30 N ATOM 743 CA ALA A 65 -6.399 -3.780 -5.170 1.00 0.30 C ATOM 744 C ALA A 65 -7.754 -4.252 -4.646 1.00 0.33 C ATOM 745 O ALA A 65 -7.937 -5.434 -4.346 1.00 0.38 O ATOM 746 CB ALA A 65 -5.595 -3.124 -4.058 1.00 0.31 C ATOM 0 H ALA A 65 -6.322 -1.885 -6.054 1.00 0.30 H new ATOM 0 HA ALA A 65 -5.857 -4.655 -5.530 1.00 0.30 H new ATOM 0 HB1 ALA A 65 -5.476 -3.826 -3.233 1.00 0.31 H new ATOM 0 HB2 ALA A 65 -4.613 -2.840 -4.438 1.00 0.31 H new ATOM 0 HB3 ALA A 65 -6.119 -2.235 -3.706 1.00 0.31 H new ATOM 752 N ASP A 66 -8.696 -3.316 -4.549 1.00 0.35 N ATOM 753 CA ASP A 66 -10.057 -3.611 -4.094 1.00 0.41 C ATOM 754 C ASP A 66 -10.669 -4.755 -4.899 1.00 0.40 C ATOM 755 O ASP A 66 -11.223 -5.701 -4.333 1.00 0.47 O ATOM 756 CB ASP A 66 -10.931 -2.354 -4.220 1.00 0.48 C ATOM 757 CG ASP A 66 -12.398 -2.601 -3.906 1.00 0.55 C ATOM 758 OD1 ASP A 66 -12.799 -2.430 -2.736 1.00 1.11 O ATOM 759 OD2 ASP A 66 -13.167 -2.924 -4.838 1.00 1.36 O ATOM 0 H ASP A 66 -8.541 -2.335 -4.782 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.011 -3.918 -3.049 1.00 0.41 H new ATOM 0 HB2 ASP A 66 -10.548 -1.586 -3.548 1.00 0.48 H new ATOM 0 HB3 ASP A 66 -10.846 -1.962 -5.233 1.00 0.48 H new ATOM 764 N ASP A 67 -10.534 -4.676 -6.218 1.00 0.36 N ATOM 765 CA ASP A 67 -11.124 -5.668 -7.110 1.00 0.38 C ATOM 766 C ASP A 67 -10.475 -7.038 -6.935 1.00 0.40 C ATOM 767 O ASP A 67 -11.164 -8.058 -6.930 1.00 0.48 O ATOM 768 CB ASP A 67 -11.006 -5.221 -8.566 1.00 0.42 C ATOM 769 CG ASP A 67 -11.716 -6.166 -9.514 1.00 0.95 C ATOM 770 OD1 ASP A 67 -12.966 -6.157 -9.538 1.00 1.66 O ATOM 771 OD2 ASP A 67 -11.033 -6.907 -10.252 1.00 1.68 O ATOM 0 H ASP A 67 -10.021 -3.934 -6.694 1.00 0.36 H new ATOM 0 HA ASP A 67 -12.178 -5.755 -6.846 1.00 0.38 H new ATOM 0 HB2 ASP A 67 -11.425 -4.220 -8.672 1.00 0.42 H new ATOM 0 HB3 ASP A 67 -9.953 -5.157 -8.840 1.00 0.42 H new ATOM 776 N ILE A 68 -9.152 -7.061 -6.779 1.00 0.37 N ATOM 777 CA ILE A 68 -8.427 -8.316 -6.625 1.00 0.41 C ATOM 778 C ILE A 68 -8.888 -9.047 -5.369 1.00 0.41 C ATOM 779 O ILE A 68 -9.111 -10.257 -5.384 1.00 0.47 O ATOM 780 CB ILE A 68 -6.903 -8.081 -6.543 1.00 0.43 C ATOM 781 CG1 ILE A 68 -6.397 -7.408 -7.821 1.00 0.46 C ATOM 782 CG2 ILE A 68 -6.166 -9.394 -6.306 1.00 0.48 C ATOM 783 CD1 ILE A 68 -4.929 -7.031 -7.773 1.00 0.51 C ATOM 0 H ILE A 68 -8.565 -6.227 -6.756 1.00 0.37 H new ATOM 0 HA ILE A 68 -8.640 -8.924 -7.504 1.00 0.41 H new ATOM 0 HB ILE A 68 -6.704 -7.420 -5.699 1.00 0.43 H new ATOM 0 HG12 ILE A 68 -6.563 -8.079 -8.664 1.00 0.46 H new ATOM 0 HG13 ILE A 68 -6.987 -6.511 -8.006 1.00 0.46 H new ATOM 0 HG21 ILE A 68 -5.094 -9.205 -6.252 1.00 0.48 H new ATOM 0 HG22 ILE A 68 -6.504 -9.837 -5.369 1.00 0.48 H new ATOM 0 HG23 ILE A 68 -6.372 -10.080 -7.127 1.00 0.48 H new ATOM 0 HD11 ILE A 68 -4.644 -6.559 -8.713 1.00 0.51 H new ATOM 0 HD12 ILE A 68 -4.759 -6.335 -6.952 1.00 0.51 H new ATOM 0 HD13 ILE A 68 -4.328 -7.927 -7.620 1.00 0.51 H new ATOM 795 N ALA A 69 -9.046 -8.293 -4.294 1.00 0.39 N ATOM 796 CA ALA A 69 -9.414 -8.858 -3.007 1.00 0.43 C ATOM 797 C ALA A 69 -10.867 -9.277 -2.964 1.00 0.47 C ATOM 798 O ALA A 69 -11.187 -10.437 -2.723 1.00 0.53 O ATOM 799 CB ALA A 69 -9.170 -7.849 -1.901 1.00 0.46 C ATOM 0 H ALA A 69 -8.924 -7.280 -4.288 1.00 0.39 H new ATOM 0 HA ALA A 69 -8.793 -9.742 -2.861 1.00 0.43 H new ATOM 0 HB1 ALA A 69 -9.450 -8.285 -0.942 1.00 0.46 H new ATOM 0 HB2 ALA A 69 -8.114 -7.578 -1.882 1.00 0.46 H new ATOM 0 HB3 ALA A 69 -9.770 -6.957 -2.083 1.00 0.46 H new ATOM 805 N LYS A 70 -11.738 -8.323 -3.223 1.00 0.52 N ATOM 806 CA LYS A 70 -13.139 -8.459 -2.882 1.00 0.65 C ATOM 807 C LYS A 70 -13.850 -9.505 -3.731 1.00 0.63 C ATOM 808 O LYS A 70 -14.816 -10.123 -3.283 1.00 0.72 O ATOM 809 CB LYS A 70 -13.834 -7.113 -3.031 1.00 0.87 C ATOM 810 CG LYS A 70 -15.195 -7.042 -2.358 1.00 1.09 C ATOM 811 CD LYS A 70 -15.816 -5.657 -2.481 1.00 1.14 C ATOM 812 CE LYS A 70 -14.902 -4.570 -1.927 1.00 1.14 C ATOM 813 NZ LYS A 70 -14.539 -4.805 -0.503 1.00 1.50 N ATOM 0 H LYS A 70 -11.498 -7.439 -3.672 1.00 0.52 H new ATOM 0 HA LYS A 70 -13.190 -8.798 -1.847 1.00 0.65 H new ATOM 0 HB2 LYS A 70 -13.193 -6.336 -2.614 1.00 0.87 H new ATOM 0 HB3 LYS A 70 -13.953 -6.892 -4.092 1.00 0.87 H new ATOM 0 HG2 LYS A 70 -15.861 -7.780 -2.806 1.00 1.09 H new ATOM 0 HG3 LYS A 70 -15.093 -7.302 -1.304 1.00 1.09 H new ATOM 0 HD2 LYS A 70 -16.033 -5.449 -3.529 1.00 1.14 H new ATOM 0 HD3 LYS A 70 -16.767 -5.637 -1.948 1.00 1.14 H new ATOM 0 HE2 LYS A 70 -13.994 -4.522 -2.527 1.00 1.14 H new ATOM 0 HE3 LYS A 70 -15.396 -3.603 -2.018 1.00 1.14 H new ATOM 0 HZ1 LYS A 70 -13.789 -4.142 -0.222 1.00 1.50 H new ATOM 0 HZ2 LYS A 70 -15.375 -4.657 0.097 1.00 1.50 H new ATOM 0 HZ3 LYS A 70 -14.199 -5.781 -0.388 1.00 1.50 H new ATOM 827 N LYS A 71 -13.381 -9.702 -4.950 1.00 0.62 N ATOM 828 CA LYS A 71 -13.996 -10.670 -5.844 1.00 0.76 C ATOM 829 C LYS A 71 -13.850 -12.089 -5.295 1.00 0.83 C ATOM 830 O LYS A 71 -14.714 -12.939 -5.505 1.00 1.03 O ATOM 831 CB LYS A 71 -13.365 -10.577 -7.239 1.00 0.84 C ATOM 832 CG LYS A 71 -13.993 -11.506 -8.269 1.00 1.26 C ATOM 833 CD LYS A 71 -15.466 -11.192 -8.485 1.00 1.71 C ATOM 834 CE LYS A 71 -16.088 -12.101 -9.534 1.00 2.27 C ATOM 835 NZ LYS A 71 -16.057 -13.532 -9.128 1.00 2.71 N ATOM 0 H LYS A 71 -12.580 -9.208 -5.343 1.00 0.62 H new ATOM 0 HA LYS A 71 -15.059 -10.439 -5.918 1.00 0.76 H new ATOM 0 HB2 LYS A 71 -13.446 -9.550 -7.595 1.00 0.84 H new ATOM 0 HB3 LYS A 71 -12.302 -10.804 -7.161 1.00 0.84 H new ATOM 0 HG2 LYS A 71 -13.459 -11.415 -9.215 1.00 1.26 H new ATOM 0 HG3 LYS A 71 -13.886 -12.540 -7.940 1.00 1.26 H new ATOM 0 HD2 LYS A 71 -16.003 -11.303 -7.543 1.00 1.71 H new ATOM 0 HD3 LYS A 71 -15.575 -10.152 -8.794 1.00 1.71 H new ATOM 0 HE2 LYS A 71 -17.120 -11.797 -9.709 1.00 2.27 H new ATOM 0 HE3 LYS A 71 -15.556 -11.981 -10.478 1.00 2.27 H new ATOM 0 HZ1 LYS A 71 -16.650 -14.089 -9.775 1.00 2.71 H new ATOM 0 HZ2 LYS A 71 -15.079 -13.883 -9.166 1.00 2.71 H new ATOM 0 HZ3 LYS A 71 -16.421 -13.626 -8.158 1.00 2.71 H new ATOM 849 N GLN A 72 -12.759 -12.338 -4.587 1.00 0.79 N ATOM 850 CA GLN A 72 -12.441 -13.699 -4.149 1.00 1.04 C ATOM 851 C GLN A 72 -12.292 -13.839 -2.626 1.00 1.06 C ATOM 852 O GLN A 72 -12.908 -14.710 -2.014 1.00 1.22 O ATOM 853 CB GLN A 72 -11.169 -14.181 -4.856 1.00 1.24 C ATOM 854 CG GLN A 72 -10.004 -13.207 -4.754 1.00 1.20 C ATOM 855 CD GLN A 72 -8.809 -13.624 -5.585 1.00 1.56 C ATOM 856 OE1 GLN A 72 -8.951 -14.281 -6.616 1.00 2.22 O ATOM 857 NE2 GLN A 72 -7.622 -13.232 -5.149 1.00 1.60 N ATOM 0 H GLN A 72 -12.083 -11.629 -4.303 1.00 0.79 H new ATOM 0 HA GLN A 72 -13.289 -14.325 -4.425 1.00 1.04 H new ATOM 0 HB2 GLN A 72 -10.868 -15.138 -4.431 1.00 1.24 H new ATOM 0 HB3 GLN A 72 -11.393 -14.356 -5.908 1.00 1.24 H new ATOM 0 HG2 GLN A 72 -10.335 -12.219 -5.074 1.00 1.20 H new ATOM 0 HG3 GLN A 72 -9.701 -13.120 -3.711 1.00 1.20 H new ATOM 0 HE21 GLN A 72 -7.549 -12.688 -4.289 1.00 1.60 H new ATOM 0 HE22 GLN A 72 -6.781 -13.473 -5.673 1.00 1.60 H new ATOM 866 N ASN A 73 -11.490 -12.976 -2.024 1.00 1.03 N ATOM 867 CA ASN A 73 -11.026 -13.166 -0.651 1.00 1.18 C ATOM 868 C ASN A 73 -11.634 -12.142 0.299 1.00 1.00 C ATOM 869 O ASN A 73 -11.102 -11.890 1.380 1.00 1.24 O ATOM 870 CB ASN A 73 -9.500 -13.119 -0.601 1.00 1.56 C ATOM 871 CG ASN A 73 -8.908 -14.031 0.460 1.00 1.73 C ATOM 872 OD1 ASN A 73 -9.516 -14.287 1.499 1.00 2.41 O ATOM 873 ND2 ASN A 73 -7.708 -14.529 0.202 1.00 2.12 N ATOM 0 H ASN A 73 -11.141 -12.126 -2.467 1.00 1.03 H new ATOM 0 HA ASN A 73 -11.359 -14.149 -0.317 1.00 1.18 H new ATOM 0 HB2 ASN A 73 -9.102 -13.400 -1.576 1.00 1.56 H new ATOM 0 HB3 ASN A 73 -9.180 -12.095 -0.410 1.00 1.56 H new ATOM 0 HD21 ASN A 73 -7.257 -15.148 0.876 1.00 2.12 H new ATOM 0 HD22 ASN A 73 -7.235 -14.294 -0.671 1.00 2.12 H new ATOM 880 N SER A 74 -12.712 -11.518 -0.154 1.00 1.13 N ATOM 881 CA SER A 74 -13.357 -10.395 0.533 1.00 1.53 C ATOM 882 C SER A 74 -13.705 -10.644 2.010 1.00 1.47 C ATOM 883 O SER A 74 -14.204 -9.733 2.676 1.00 1.93 O ATOM 884 CB SER A 74 -14.623 -10.033 -0.217 1.00 2.50 C ATOM 885 OG SER A 74 -15.563 -11.094 -0.188 1.00 3.38 O ATOM 0 H SER A 74 -13.175 -11.778 -1.024 1.00 1.13 H new ATOM 0 HA SER A 74 -12.627 -9.586 0.537 1.00 1.53 H new ATOM 0 HB2 SER A 74 -15.066 -9.140 0.224 1.00 2.50 H new ATOM 0 HB3 SER A 74 -14.378 -9.790 -1.251 1.00 2.50 H new ATOM 0 HG SER A 74 -16.369 -10.830 -0.679 1.00 3.38 H new ATOM 891 N SER A 75 -13.475 -11.854 2.518 1.00 1.40 N ATOM 892 CA SER A 75 -13.646 -12.127 3.940 1.00 2.05 C ATOM 893 C SER A 75 -12.874 -11.086 4.753 1.00 1.90 C ATOM 894 O SER A 75 -13.326 -10.639 5.806 1.00 2.43 O ATOM 895 CB SER A 75 -13.162 -13.542 4.271 1.00 2.46 C ATOM 896 OG SER A 75 -13.419 -13.882 5.626 1.00 2.75 O ATOM 0 H SER A 75 -13.171 -12.657 1.967 1.00 1.40 H new ATOM 0 HA SER A 75 -14.703 -12.064 4.197 1.00 2.05 H new ATOM 0 HB2 SER A 75 -13.657 -14.259 3.616 1.00 2.46 H new ATOM 0 HB3 SER A 75 -12.093 -13.616 4.074 1.00 2.46 H new ATOM 0 HG SER A 75 -13.099 -14.791 5.801 1.00 2.75 H new ATOM 902 N GLU A 76 -11.714 -10.697 4.235 1.00 1.26 N ATOM 903 CA GLU A 76 -10.962 -9.575 4.771 1.00 1.12 C ATOM 904 C GLU A 76 -9.992 -9.057 3.717 1.00 0.74 C ATOM 905 O GLU A 76 -9.257 -9.832 3.098 1.00 0.88 O ATOM 906 CB GLU A 76 -10.189 -9.957 6.036 1.00 1.46 C ATOM 907 CG GLU A 76 -9.426 -8.787 6.643 1.00 1.50 C ATOM 908 CD GLU A 76 -8.457 -9.209 7.725 1.00 2.10 C ATOM 909 OE1 GLU A 76 -8.887 -9.383 8.885 1.00 2.76 O ATOM 910 OE2 GLU A 76 -7.256 -9.352 7.428 1.00 2.59 O ATOM 0 H GLU A 76 -11.272 -11.150 3.435 1.00 1.26 H new ATOM 0 HA GLU A 76 -11.676 -8.796 5.039 1.00 1.12 H new ATOM 0 HB2 GLU A 76 -10.886 -10.352 6.775 1.00 1.46 H new ATOM 0 HB3 GLU A 76 -9.488 -10.757 5.799 1.00 1.46 H new ATOM 0 HG2 GLU A 76 -8.879 -8.270 5.855 1.00 1.50 H new ATOM 0 HG3 GLU A 76 -10.137 -8.073 7.059 1.00 1.50 H new ATOM 917 N ALA A 77 -10.009 -7.755 3.499 1.00 0.55 N ATOM 918 CA ALA A 77 -9.088 -7.125 2.574 1.00 0.44 C ATOM 919 C ALA A 77 -8.309 -6.030 3.283 1.00 0.37 C ATOM 920 O ALA A 77 -8.895 -5.115 3.863 1.00 0.42 O ATOM 921 CB ALA A 77 -9.840 -6.559 1.381 1.00 0.71 C ATOM 0 H ALA A 77 -10.656 -7.110 3.954 1.00 0.55 H new ATOM 0 HA ALA A 77 -8.385 -7.874 2.210 1.00 0.44 H new ATOM 0 HB1 ALA A 77 -9.134 -6.089 0.696 1.00 0.71 H new ATOM 0 HB2 ALA A 77 -10.365 -7.364 0.866 1.00 0.71 H new ATOM 0 HB3 ALA A 77 -10.561 -5.817 1.724 1.00 0.71 H new ATOM 927 N LYS A 78 -6.991 -6.132 3.260 1.00 0.35 N ATOM 928 CA LYS A 78 -6.146 -5.117 3.868 1.00 0.37 C ATOM 929 C LYS A 78 -5.123 -4.614 2.863 1.00 0.33 C ATOM 930 O LYS A 78 -4.483 -5.402 2.165 1.00 0.37 O ATOM 931 CB LYS A 78 -5.443 -5.646 5.124 1.00 0.50 C ATOM 932 CG LYS A 78 -6.389 -6.003 6.262 1.00 0.63 C ATOM 933 CD LYS A 78 -5.697 -5.888 7.614 1.00 0.89 C ATOM 934 CE LYS A 78 -4.576 -6.906 7.777 1.00 1.04 C ATOM 935 NZ LYS A 78 -5.067 -8.213 8.293 1.00 1.67 N ATOM 0 H LYS A 78 -6.484 -6.905 2.828 1.00 0.35 H new ATOM 0 HA LYS A 78 -6.786 -4.289 4.171 1.00 0.37 H new ATOM 0 HB2 LYS A 78 -4.863 -6.529 4.858 1.00 0.50 H new ATOM 0 HB3 LYS A 78 -4.736 -4.894 5.476 1.00 0.50 H new ATOM 0 HG2 LYS A 78 -7.256 -5.343 6.238 1.00 0.63 H new ATOM 0 HG3 LYS A 78 -6.758 -7.019 6.125 1.00 0.63 H new ATOM 0 HD2 LYS A 78 -5.291 -4.883 7.728 1.00 0.89 H new ATOM 0 HD3 LYS A 78 -6.430 -6.028 8.408 1.00 0.89 H new ATOM 0 HE2 LYS A 78 -4.085 -7.059 6.816 1.00 1.04 H new ATOM 0 HE3 LYS A 78 -3.824 -6.509 8.459 1.00 1.04 H new ATOM 0 HZ1 LYS A 78 -4.270 -8.877 8.371 1.00 1.67 H new ATOM 0 HZ2 LYS A 78 -5.497 -8.077 9.230 1.00 1.67 H new ATOM 0 HZ3 LYS A 78 -5.777 -8.600 7.639 1.00 1.67 H new ATOM 949 N ILE A 79 -4.977 -3.301 2.790 1.00 0.29 N ATOM 950 CA ILE A 79 -4.075 -2.683 1.829 1.00 0.29 C ATOM 951 C ILE A 79 -3.091 -1.767 2.546 1.00 0.29 C ATOM 952 O ILE A 79 -3.484 -0.961 3.384 1.00 0.40 O ATOM 953 CB ILE A 79 -4.854 -1.861 0.775 1.00 0.31 C ATOM 954 CG1 ILE A 79 -5.938 -2.718 0.113 1.00 0.37 C ATOM 955 CG2 ILE A 79 -3.903 -1.298 -0.277 1.00 0.35 C ATOM 956 CD1 ILE A 79 -6.855 -1.939 -0.806 1.00 0.49 C ATOM 0 H ILE A 79 -5.473 -2.639 3.387 1.00 0.29 H new ATOM 0 HA ILE A 79 -3.536 -3.483 1.321 1.00 0.29 H new ATOM 0 HB ILE A 79 -5.338 -1.027 1.284 1.00 0.31 H new ATOM 0 HG12 ILE A 79 -5.461 -3.516 -0.456 1.00 0.37 H new ATOM 0 HG13 ILE A 79 -6.536 -3.195 0.890 1.00 0.37 H new ATOM 0 HG21 ILE A 79 -4.470 -0.723 -1.009 1.00 0.35 H new ATOM 0 HG22 ILE A 79 -3.170 -0.650 0.204 1.00 0.35 H new ATOM 0 HG23 ILE A 79 -3.389 -2.118 -0.779 1.00 0.35 H new ATOM 0 HD11 ILE A 79 -7.596 -2.612 -1.237 1.00 0.49 H new ATOM 0 HD12 ILE A 79 -7.361 -1.158 -0.238 1.00 0.49 H new ATOM 0 HD13 ILE A 79 -6.269 -1.485 -1.605 1.00 0.49 H new ATOM 968 N LEU A 80 -1.815 -1.908 2.235 1.00 0.23 N ATOM 969 CA LEU A 80 -0.789 -1.042 2.792 1.00 0.28 C ATOM 970 C LEU A 80 -0.343 -0.047 1.729 1.00 0.30 C ATOM 971 O LEU A 80 0.322 -0.426 0.776 1.00 0.45 O ATOM 972 CB LEU A 80 0.417 -1.879 3.235 1.00 0.40 C ATOM 973 CG LEU A 80 1.280 -1.304 4.371 1.00 0.57 C ATOM 974 CD1 LEU A 80 2.641 -1.978 4.377 1.00 1.22 C ATOM 975 CD2 LEU A 80 1.437 0.206 4.269 1.00 1.40 C ATOM 0 H LEU A 80 -1.462 -2.619 1.595 1.00 0.23 H new ATOM 0 HA LEU A 80 -1.195 -0.511 3.653 1.00 0.28 H new ATOM 0 HB2 LEU A 80 0.055 -2.859 3.546 1.00 0.40 H new ATOM 0 HB3 LEU A 80 1.058 -2.037 2.368 1.00 0.40 H new ATOM 0 HG LEU A 80 0.766 -1.509 5.310 1.00 0.57 H new ATOM 0 HD11 LEU A 80 3.247 -1.566 5.184 1.00 1.22 H new ATOM 0 HD12 LEU A 80 2.515 -3.050 4.528 1.00 1.22 H new ATOM 0 HD13 LEU A 80 3.138 -1.802 3.423 1.00 1.22 H new ATOM 0 HD21 LEU A 80 2.054 0.564 5.093 1.00 1.40 H new ATOM 0 HD22 LEU A 80 1.914 0.459 3.322 1.00 1.40 H new ATOM 0 HD23 LEU A 80 0.456 0.678 4.319 1.00 1.40 H new ATOM 987 N ILE A 81 -0.706 1.213 1.880 1.00 0.27 N ATOM 988 CA ILE A 81 -0.233 2.226 0.951 1.00 0.27 C ATOM 989 C ILE A 81 1.014 2.900 1.505 1.00 0.27 C ATOM 990 O ILE A 81 0.947 3.644 2.479 1.00 0.33 O ATOM 991 CB ILE A 81 -1.291 3.314 0.648 1.00 0.29 C ATOM 992 CG1 ILE A 81 -2.573 2.694 0.092 1.00 0.28 C ATOM 993 CG2 ILE A 81 -0.731 4.321 -0.349 1.00 0.34 C ATOM 994 CD1 ILE A 81 -3.709 3.684 -0.057 1.00 0.38 C ATOM 0 H ILE A 81 -1.315 1.557 2.622 1.00 0.27 H new ATOM 0 HA ILE A 81 -0.014 1.707 0.018 1.00 0.27 H new ATOM 0 HB ILE A 81 -1.532 3.822 1.582 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -2.360 2.249 -0.880 1.00 0.28 H new ATOM 0 HG13 ILE A 81 -2.891 1.885 0.750 1.00 0.28 H new ATOM 0 HG21 ILE A 81 -1.482 5.083 -0.557 1.00 0.34 H new ATOM 0 HG22 ILE A 81 0.158 4.792 0.070 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.468 3.809 -1.275 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.586 3.174 -0.456 1.00 0.38 H new ATOM 0 HD12 ILE A 81 -3.950 4.111 0.917 1.00 0.38 H new ATOM 0 HD13 ILE A 81 -3.410 4.480 -0.739 1.00 0.38 H new ATOM 1006 N LEU A 82 2.153 2.605 0.908 1.00 0.27 N ATOM 1007 CA LEU A 82 3.382 3.303 1.234 1.00 0.31 C ATOM 1008 C LEU A 82 3.548 4.488 0.299 1.00 0.34 C ATOM 1009 O LEU A 82 3.594 4.326 -0.917 1.00 0.59 O ATOM 1010 CB LEU A 82 4.584 2.363 1.123 1.00 0.43 C ATOM 1011 CG LEU A 82 4.572 1.173 2.084 1.00 0.76 C ATOM 1012 CD1 LEU A 82 5.812 0.322 1.895 1.00 1.61 C ATOM 1013 CD2 LEU A 82 4.476 1.651 3.520 1.00 1.08 C ATOM 0 H LEU A 82 2.253 1.885 0.193 1.00 0.27 H new ATOM 0 HA LEU A 82 3.328 3.658 2.263 1.00 0.31 H new ATOM 0 HB2 LEU A 82 4.636 1.984 0.102 1.00 0.43 H new ATOM 0 HB3 LEU A 82 5.493 2.940 1.296 1.00 0.43 H new ATOM 0 HG LEU A 82 3.697 0.563 1.861 1.00 0.76 H new ATOM 0 HD11 LEU A 82 5.785 -0.519 2.588 1.00 1.61 H new ATOM 0 HD12 LEU A 82 5.844 -0.051 0.871 1.00 1.61 H new ATOM 0 HD13 LEU A 82 6.700 0.924 2.090 1.00 1.61 H new ATOM 0 HD21 LEU A 82 4.469 0.791 4.190 1.00 1.08 H new ATOM 0 HD22 LEU A 82 5.333 2.284 3.751 1.00 1.08 H new ATOM 0 HD23 LEU A 82 3.557 2.222 3.653 1.00 1.08 H new ATOM 1025 N LEU A 83 3.610 5.679 0.859 1.00 0.35 N ATOM 1026 CA LEU A 83 3.721 6.885 0.055 1.00 0.42 C ATOM 1027 C LEU A 83 4.662 7.869 0.707 1.00 0.44 C ATOM 1028 O LEU A 83 4.862 7.830 1.919 1.00 0.55 O ATOM 1029 CB LEU A 83 2.352 7.555 -0.168 1.00 0.45 C ATOM 1030 CG LEU A 83 1.534 7.927 1.082 1.00 0.49 C ATOM 1031 CD1 LEU A 83 0.375 8.821 0.681 1.00 1.17 C ATOM 1032 CD2 LEU A 83 0.992 6.701 1.794 1.00 1.13 C ATOM 0 H LEU A 83 3.586 5.840 1.866 1.00 0.35 H new ATOM 0 HA LEU A 83 4.116 6.588 -0.916 1.00 0.42 H new ATOM 0 HB2 LEU A 83 2.512 8.464 -0.749 1.00 0.45 H new ATOM 0 HB3 LEU A 83 1.746 6.888 -0.781 1.00 0.45 H new ATOM 0 HG LEU A 83 2.201 8.448 1.769 1.00 0.49 H new ATOM 0 HD11 LEU A 83 -0.204 9.085 1.566 1.00 1.17 H new ATOM 0 HD12 LEU A 83 0.760 9.728 0.216 1.00 1.17 H new ATOM 0 HD13 LEU A 83 -0.264 8.293 -0.027 1.00 1.17 H new ATOM 0 HD21 LEU A 83 0.422 7.011 2.670 1.00 1.13 H new ATOM 0 HD22 LEU A 83 0.344 6.144 1.117 1.00 1.13 H new ATOM 0 HD23 LEU A 83 1.821 6.066 2.107 1.00 1.13 H new ATOM 1044 N GLU A 84 5.249 8.747 -0.087 1.00 0.43 N ATOM 1045 CA GLU A 84 6.093 9.777 0.474 1.00 0.45 C ATOM 1046 C GLU A 84 5.393 11.126 0.406 1.00 0.47 C ATOM 1047 O GLU A 84 5.370 11.798 -0.631 1.00 0.54 O ATOM 1048 CB GLU A 84 7.426 9.815 -0.274 1.00 0.55 C ATOM 1049 CG GLU A 84 7.275 9.726 -1.783 1.00 1.29 C ATOM 1050 CD GLU A 84 8.601 9.773 -2.504 1.00 1.47 C ATOM 1051 OE1 GLU A 84 8.965 10.851 -3.017 1.00 1.94 O ATOM 1052 OE2 GLU A 84 9.285 8.730 -2.562 1.00 2.04 O ATOM 0 H GLU A 84 5.158 8.766 -1.103 1.00 0.43 H new ATOM 0 HA GLU A 84 6.289 9.551 1.522 1.00 0.45 H new ATOM 0 HB2 GLU A 84 7.949 10.738 -0.023 1.00 0.55 H new ATOM 0 HB3 GLU A 84 8.051 8.991 0.070 1.00 0.55 H new ATOM 0 HG2 GLU A 84 6.759 8.800 -2.039 1.00 1.29 H new ATOM 0 HG3 GLU A 84 6.648 10.547 -2.131 1.00 1.29 H new ATOM 1059 N LYS A 85 4.825 11.495 1.538 1.00 0.45 N ATOM 1060 CA LYS A 85 4.239 12.807 1.764 1.00 0.56 C ATOM 1061 C LYS A 85 3.805 12.890 3.225 1.00 0.53 C ATOM 1062 O LYS A 85 3.724 11.860 3.894 1.00 0.53 O ATOM 1063 CB LYS A 85 3.032 13.044 0.844 1.00 0.74 C ATOM 1064 CG LYS A 85 1.956 11.983 0.967 1.00 1.00 C ATOM 1065 CD LYS A 85 0.612 12.477 0.459 1.00 0.91 C ATOM 1066 CE LYS A 85 0.652 12.856 -1.012 1.00 1.66 C ATOM 1067 NZ LYS A 85 -0.662 13.380 -1.472 1.00 2.02 N ATOM 0 H LYS A 85 4.755 10.878 2.347 1.00 0.45 H new ATOM 0 HA LYS A 85 4.979 13.575 1.539 1.00 0.56 H new ATOM 0 HB2 LYS A 85 2.598 14.018 1.072 1.00 0.74 H new ATOM 0 HB3 LYS A 85 3.376 13.082 -0.190 1.00 0.74 H new ATOM 0 HG2 LYS A 85 2.253 11.098 0.405 1.00 1.00 H new ATOM 0 HG3 LYS A 85 1.861 11.681 2.010 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -0.138 11.701 0.611 1.00 0.91 H new ATOM 0 HD3 LYS A 85 0.300 13.341 1.046 1.00 0.91 H new ATOM 0 HE2 LYS A 85 1.423 13.609 -1.175 1.00 1.66 H new ATOM 0 HE3 LYS A 85 0.927 11.985 -1.607 1.00 1.66 H new ATOM 0 HZ1 LYS A 85 -0.645 13.502 -2.505 1.00 2.02 H new ATOM 0 HZ2 LYS A 85 -1.413 12.708 -1.215 1.00 2.02 H new ATOM 0 HZ3 LYS A 85 -0.848 14.297 -1.018 1.00 2.02 H new ATOM 1081 N PRO A 86 3.540 14.092 3.753 1.00 0.60 N ATOM 1082 CA PRO A 86 2.935 14.236 5.079 1.00 0.62 C ATOM 1083 C PRO A 86 1.502 13.703 5.093 1.00 0.61 C ATOM 1084 O PRO A 86 0.643 14.184 4.349 1.00 0.68 O ATOM 1085 CB PRO A 86 2.951 15.749 5.323 1.00 0.74 C ATOM 1086 CG PRO A 86 3.032 16.357 3.965 1.00 0.85 C ATOM 1087 CD PRO A 86 3.830 15.396 3.131 1.00 0.74 C ATOM 0 HA PRO A 86 3.469 13.674 5.845 1.00 0.62 H new ATOM 0 HB2 PRO A 86 2.053 16.074 5.848 1.00 0.74 H new ATOM 0 HB3 PRO A 86 3.803 16.041 5.938 1.00 0.74 H new ATOM 0 HG2 PRO A 86 2.038 16.507 3.544 1.00 0.85 H new ATOM 0 HG3 PRO A 86 3.513 17.334 4.003 1.00 0.85 H new ATOM 0 HD2 PRO A 86 3.525 15.420 2.085 1.00 0.74 H new ATOM 0 HD3 PRO A 86 4.895 15.627 3.158 1.00 0.74 H new ATOM 1095 N VAL A 87 1.246 12.701 5.927 1.00 0.59 N ATOM 1096 CA VAL A 87 -0.072 12.081 5.983 1.00 0.62 C ATOM 1097 C VAL A 87 -0.640 12.109 7.397 1.00 0.62 C ATOM 1098 O VAL A 87 0.034 11.749 8.365 1.00 0.66 O ATOM 1099 CB VAL A 87 -0.056 10.620 5.463 1.00 0.69 C ATOM 1100 CG1 VAL A 87 0.369 10.569 4.005 1.00 1.17 C ATOM 1101 CG2 VAL A 87 0.850 9.736 6.309 1.00 0.88 C ATOM 0 H VAL A 87 1.930 12.303 6.570 1.00 0.59 H new ATOM 0 HA VAL A 87 -0.713 12.671 5.328 1.00 0.62 H new ATOM 0 HB VAL A 87 -1.072 10.235 5.544 1.00 0.69 H new ATOM 0 HG11 VAL A 87 0.373 9.534 3.663 1.00 1.17 H new ATOM 0 HG12 VAL A 87 -0.330 11.148 3.402 1.00 1.17 H new ATOM 0 HG13 VAL A 87 1.370 10.988 3.903 1.00 1.17 H new ATOM 0 HG21 VAL A 87 0.837 8.719 5.916 1.00 0.88 H new ATOM 0 HG22 VAL A 87 1.868 10.124 6.278 1.00 0.88 H new ATOM 0 HG23 VAL A 87 0.494 9.731 7.339 1.00 0.88 H new ATOM 1111 N SER A 88 -1.874 12.564 7.512 1.00 0.69 N ATOM 1112 CA SER A 88 -2.573 12.569 8.783 1.00 0.76 C ATOM 1113 C SER A 88 -3.528 11.379 8.852 1.00 0.72 C ATOM 1114 O SER A 88 -3.766 10.720 7.834 1.00 0.69 O ATOM 1115 CB SER A 88 -3.351 13.877 8.940 1.00 0.92 C ATOM 1116 OG SER A 88 -4.329 14.004 7.922 1.00 1.44 O ATOM 0 H SER A 88 -2.416 12.938 6.733 1.00 0.69 H new ATOM 0 HA SER A 88 -1.848 12.489 9.593 1.00 0.76 H new ATOM 0 HB2 SER A 88 -3.831 13.905 9.918 1.00 0.92 H new ATOM 0 HB3 SER A 88 -2.664 14.722 8.898 1.00 0.92 H new ATOM 0 HG SER A 88 -4.817 14.846 8.040 1.00 1.44 H new ATOM 1122 N PRO A 89 -4.084 11.066 10.034 1.00 0.78 N ATOM 1123 CA PRO A 89 -5.135 10.052 10.147 1.00 0.79 C ATOM 1124 C PRO A 89 -6.332 10.387 9.259 1.00 0.67 C ATOM 1125 O PRO A 89 -7.003 9.497 8.737 1.00 0.65 O ATOM 1126 CB PRO A 89 -5.527 10.102 11.625 1.00 0.98 C ATOM 1127 CG PRO A 89 -4.325 10.649 12.313 1.00 1.14 C ATOM 1128 CD PRO A 89 -3.716 11.626 11.348 1.00 0.92 C ATOM 0 HA PRO A 89 -4.799 9.066 9.826 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -6.398 10.738 11.783 1.00 0.98 H new ATOM 0 HB3 PRO A 89 -5.783 9.112 12.001 1.00 0.98 H new ATOM 0 HG2 PRO A 89 -4.598 11.139 13.247 1.00 1.14 H new ATOM 0 HG3 PRO A 89 -3.621 9.855 12.563 1.00 1.14 H new ATOM 0 HD2 PRO A 89 -4.115 12.631 11.485 1.00 0.92 H new ATOM 0 HD3 PRO A 89 -2.635 11.693 11.470 1.00 0.92 H new ATOM 1136 N GLU A 90 -6.571 11.682 9.063 1.00 0.71 N ATOM 1137 CA GLU A 90 -7.665 12.139 8.219 1.00 0.72 C ATOM 1138 C GLU A 90 -7.356 11.873 6.750 1.00 0.64 C ATOM 1139 O GLU A 90 -8.259 11.593 5.958 1.00 0.68 O ATOM 1140 CB GLU A 90 -7.942 13.626 8.446 1.00 0.87 C ATOM 1141 CG GLU A 90 -8.492 13.937 9.831 1.00 1.24 C ATOM 1142 CD GLU A 90 -8.872 15.392 9.991 1.00 1.76 C ATOM 1143 OE1 GLU A 90 -9.984 15.768 9.571 1.00 2.43 O ATOM 1144 OE2 GLU A 90 -8.065 16.168 10.545 1.00 2.37 O ATOM 0 H GLU A 90 -6.019 12.432 9.479 1.00 0.71 H new ATOM 0 HA GLU A 90 -8.560 11.579 8.491 1.00 0.72 H new ATOM 0 HB2 GLU A 90 -7.019 14.186 8.296 1.00 0.87 H new ATOM 0 HB3 GLU A 90 -8.652 13.974 7.695 1.00 0.87 H new ATOM 0 HG2 GLU A 90 -9.366 13.314 10.019 1.00 1.24 H new ATOM 0 HG3 GLU A 90 -7.746 13.675 10.582 1.00 1.24 H new ATOM 1151 N TYR A 91 -6.080 11.954 6.389 1.00 0.62 N ATOM 1152 CA TYR A 91 -5.652 11.634 5.034 1.00 0.62 C ATOM 1153 C TYR A 91 -5.883 10.152 4.765 1.00 0.52 C ATOM 1154 O TYR A 91 -6.411 9.772 3.720 1.00 0.52 O ATOM 1155 CB TYR A 91 -4.172 11.986 4.831 1.00 0.72 C ATOM 1156 CG TYR A 91 -3.698 11.834 3.400 1.00 1.20 C ATOM 1157 CD1 TYR A 91 -3.707 12.917 2.532 1.00 1.63 C ATOM 1158 CD2 TYR A 91 -3.248 10.611 2.916 1.00 2.22 C ATOM 1159 CE1 TYR A 91 -3.282 12.788 1.224 1.00 2.36 C ATOM 1160 CE2 TYR A 91 -2.821 10.475 1.610 1.00 3.00 C ATOM 1161 CZ TYR A 91 -2.841 11.566 0.768 1.00 2.89 C ATOM 1162 OH TYR A 91 -2.418 11.433 -0.537 1.00 3.78 O ATOM 0 H TYR A 91 -5.326 12.238 7.015 1.00 0.62 H new ATOM 0 HA TYR A 91 -6.239 12.226 4.331 1.00 0.62 H new ATOM 0 HB2 TYR A 91 -4.005 13.014 5.152 1.00 0.72 H new ATOM 0 HB3 TYR A 91 -3.565 11.349 5.475 1.00 0.72 H new ATOM 0 HD1 TYR A 91 -4.052 13.877 2.885 1.00 1.63 H new ATOM 0 HD2 TYR A 91 -3.232 9.753 3.572 1.00 2.22 H new ATOM 0 HE1 TYR A 91 -3.296 13.641 0.562 1.00 2.36 H new ATOM 0 HE2 TYR A 91 -2.473 9.518 1.250 1.00 3.00 H new ATOM 0 HH TYR A 91 -2.138 10.508 -0.697 1.00 3.78 H new ATOM 1172 N GLU A 92 -5.491 9.321 5.725 1.00 0.48 N ATOM 1173 CA GLU A 92 -5.712 7.890 5.637 1.00 0.42 C ATOM 1174 C GLU A 92 -7.202 7.588 5.579 1.00 0.42 C ATOM 1175 O GLU A 92 -7.641 6.769 4.784 1.00 0.43 O ATOM 1176 CB GLU A 92 -5.079 7.184 6.835 1.00 0.48 C ATOM 1177 CG GLU A 92 -5.198 5.671 6.779 1.00 0.49 C ATOM 1178 CD GLU A 92 -4.418 4.990 7.882 1.00 0.65 C ATOM 1179 OE1 GLU A 92 -3.177 4.908 7.772 1.00 1.46 O ATOM 1180 OE2 GLU A 92 -5.039 4.541 8.872 1.00 1.14 O ATOM 0 H GLU A 92 -5.016 9.621 6.576 1.00 0.48 H new ATOM 0 HA GLU A 92 -5.245 7.521 4.724 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -4.025 7.456 6.891 1.00 0.48 H new ATOM 0 HB3 GLU A 92 -5.550 7.544 7.749 1.00 0.48 H new ATOM 0 HG2 GLU A 92 -6.248 5.389 6.853 1.00 0.49 H new ATOM 0 HG3 GLU A 92 -4.840 5.317 5.812 1.00 0.49 H new ATOM 1187 N LYS A 93 -7.969 8.279 6.413 1.00 0.47 N ATOM 1188 CA LYS A 93 -9.417 8.114 6.471 1.00 0.54 C ATOM 1189 C LYS A 93 -10.051 8.394 5.112 1.00 0.53 C ATOM 1190 O LYS A 93 -11.018 7.745 4.723 1.00 0.55 O ATOM 1191 CB LYS A 93 -9.996 9.055 7.531 1.00 0.69 C ATOM 1192 CG LYS A 93 -11.483 8.869 7.787 1.00 1.51 C ATOM 1193 CD LYS A 93 -11.994 9.852 8.833 1.00 2.25 C ATOM 1194 CE LYS A 93 -11.306 9.658 10.179 1.00 2.80 C ATOM 1195 NZ LYS A 93 -11.590 8.322 10.767 1.00 3.25 N ATOM 0 H LYS A 93 -7.605 8.970 7.069 1.00 0.47 H new ATOM 0 HA LYS A 93 -9.642 7.082 6.741 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -9.457 8.906 8.466 1.00 0.69 H new ATOM 0 HB3 LYS A 93 -9.818 10.085 7.222 1.00 0.69 H new ATOM 0 HG2 LYS A 93 -12.034 9.006 6.857 1.00 1.51 H new ATOM 0 HG3 LYS A 93 -11.671 7.849 8.121 1.00 1.51 H new ATOM 0 HD2 LYS A 93 -11.829 10.871 8.484 1.00 2.25 H new ATOM 0 HD3 LYS A 93 -13.070 9.727 8.954 1.00 2.25 H new ATOM 0 HE2 LYS A 93 -10.230 9.777 10.056 1.00 2.80 H new ATOM 0 HE3 LYS A 93 -11.636 10.435 10.869 1.00 2.80 H new ATOM 0 HZ1 LYS A 93 -11.232 8.289 11.743 1.00 3.25 H new ATOM 0 HZ2 LYS A 93 -12.616 8.155 10.769 1.00 3.25 H new ATOM 0 HZ3 LYS A 93 -11.120 7.587 10.201 1.00 3.25 H new ATOM 1209 N LYS A 94 -9.485 9.350 4.386 1.00 0.54 N ATOM 1210 CA LYS A 94 -9.986 9.718 3.069 1.00 0.59 C ATOM 1211 C LYS A 94 -9.820 8.563 2.078 1.00 0.52 C ATOM 1212 O LYS A 94 -10.676 8.335 1.221 1.00 0.57 O ATOM 1213 CB LYS A 94 -9.254 10.967 2.563 1.00 0.67 C ATOM 1214 CG LYS A 94 -9.710 11.437 1.191 1.00 1.19 C ATOM 1215 CD LYS A 94 -8.969 12.689 0.747 1.00 1.48 C ATOM 1216 CE LYS A 94 -9.308 13.890 1.617 1.00 1.97 C ATOM 1217 NZ LYS A 94 -8.645 15.131 1.137 1.00 2.44 N ATOM 0 H LYS A 94 -8.673 9.887 4.690 1.00 0.54 H new ATOM 0 HA LYS A 94 -11.050 9.939 3.153 1.00 0.59 H new ATOM 0 HB2 LYS A 94 -9.399 11.776 3.279 1.00 0.67 H new ATOM 0 HB3 LYS A 94 -8.184 10.760 2.528 1.00 0.67 H new ATOM 0 HG2 LYS A 94 -9.549 10.642 0.463 1.00 1.19 H new ATOM 0 HG3 LYS A 94 -10.781 11.637 1.213 1.00 1.19 H new ATOM 0 HD2 LYS A 94 -7.895 12.507 0.783 1.00 1.48 H new ATOM 0 HD3 LYS A 94 -9.220 12.910 -0.290 1.00 1.48 H new ATOM 0 HE2 LYS A 94 -10.388 14.037 1.627 1.00 1.97 H new ATOM 0 HE3 LYS A 94 -9.004 13.691 2.644 1.00 1.97 H new ATOM 0 HZ1 LYS A 94 -8.903 15.925 1.758 1.00 2.44 H new ATOM 0 HZ2 LYS A 94 -7.613 15.001 1.151 1.00 2.44 H new ATOM 0 HZ3 LYS A 94 -8.955 15.337 0.166 1.00 2.44 H new ATOM 1231 N LEU A 95 -8.721 7.832 2.208 1.00 0.47 N ATOM 1232 CA LEU A 95 -8.443 6.706 1.326 1.00 0.45 C ATOM 1233 C LEU A 95 -9.101 5.434 1.855 1.00 0.39 C ATOM 1234 O LEU A 95 -9.577 4.595 1.088 1.00 0.41 O ATOM 1235 CB LEU A 95 -6.931 6.503 1.193 1.00 0.46 C ATOM 1236 CG LEU A 95 -6.165 7.701 0.623 1.00 0.54 C ATOM 1237 CD1 LEU A 95 -4.668 7.436 0.641 1.00 1.14 C ATOM 1238 CD2 LEU A 95 -6.633 8.014 -0.790 1.00 1.12 C ATOM 0 H LEU A 95 -8.007 7.999 2.917 1.00 0.47 H new ATOM 0 HA LEU A 95 -8.859 6.925 0.343 1.00 0.45 H new ATOM 0 HB2 LEU A 95 -6.524 6.265 2.176 1.00 0.46 H new ATOM 0 HB3 LEU A 95 -6.750 5.638 0.555 1.00 0.46 H new ATOM 0 HG LEU A 95 -6.369 8.567 1.252 1.00 0.54 H new ATOM 0 HD11 LEU A 95 -4.141 8.298 0.232 1.00 1.14 H new ATOM 0 HD12 LEU A 95 -4.341 7.264 1.667 1.00 1.14 H new ATOM 0 HD13 LEU A 95 -4.447 6.556 0.037 1.00 1.14 H new ATOM 0 HD21 LEU A 95 -6.077 8.868 -1.177 1.00 1.12 H new ATOM 0 HD22 LEU A 95 -6.461 7.149 -1.430 1.00 1.12 H new ATOM 0 HD23 LEU A 95 -7.697 8.250 -0.777 1.00 1.12 H new ATOM 1250 N GLN A 96 -9.136 5.314 3.174 1.00 0.37 N ATOM 1251 CA GLN A 96 -9.728 4.168 3.844 1.00 0.40 C ATOM 1252 C GLN A 96 -11.247 4.168 3.672 1.00 0.45 C ATOM 1253 O GLN A 96 -11.886 3.118 3.704 1.00 0.49 O ATOM 1254 CB GLN A 96 -9.328 4.184 5.325 1.00 0.53 C ATOM 1255 CG GLN A 96 -9.853 3.015 6.146 1.00 0.60 C ATOM 1256 CD GLN A 96 -9.307 3.013 7.562 1.00 1.30 C ATOM 1257 OE1 GLN A 96 -8.969 4.059 8.114 1.00 1.79 O ATOM 1258 NE2 GLN A 96 -9.238 1.841 8.167 1.00 2.20 N ATOM 0 H GLN A 96 -8.753 6.012 3.811 1.00 0.37 H new ATOM 0 HA GLN A 96 -9.353 3.249 3.393 1.00 0.40 H new ATOM 0 HB2 GLN A 96 -8.240 4.196 5.392 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -9.685 5.112 5.772 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -10.942 3.057 6.179 1.00 0.60 H new ATOM 0 HG3 GLN A 96 -9.585 2.080 5.655 1.00 0.60 H new ATOM 0 HE21 GLN A 96 -9.528 0.996 7.676 1.00 2.20 H new ATOM 0 HE22 GLN A 96 -8.895 1.781 9.126 1.00 2.20 H new ATOM 1267 N LYS A 97 -11.824 5.352 3.504 1.00 0.52 N ATOM 1268 CA LYS A 97 -13.241 5.459 3.178 1.00 0.64 C ATOM 1269 C LYS A 97 -13.476 5.241 1.678 1.00 0.65 C ATOM 1270 O LYS A 97 -14.550 4.792 1.268 1.00 0.72 O ATOM 1271 CB LYS A 97 -13.800 6.821 3.603 1.00 0.78 C ATOM 1272 CG LYS A 97 -15.278 6.979 3.286 1.00 1.44 C ATOM 1273 CD LYS A 97 -15.818 8.333 3.708 1.00 1.95 C ATOM 1274 CE LYS A 97 -17.252 8.520 3.232 1.00 2.39 C ATOM 1275 NZ LYS A 97 -18.126 7.384 3.634 1.00 2.87 N ATOM 0 H LYS A 97 -11.337 6.245 3.587 1.00 0.52 H new ATOM 0 HA LYS A 97 -13.766 4.680 3.730 1.00 0.64 H new ATOM 0 HB2 LYS A 97 -13.647 6.952 4.674 1.00 0.78 H new ATOM 0 HB3 LYS A 97 -13.240 7.610 3.102 1.00 0.78 H new ATOM 0 HG2 LYS A 97 -15.433 6.846 2.215 1.00 1.44 H new ATOM 0 HG3 LYS A 97 -15.841 6.193 3.790 1.00 1.44 H new ATOM 0 HD2 LYS A 97 -15.777 8.423 4.793 1.00 1.95 H new ATOM 0 HD3 LYS A 97 -15.189 9.123 3.298 1.00 1.95 H new ATOM 0 HE2 LYS A 97 -17.652 9.448 3.642 1.00 2.39 H new ATOM 0 HE3 LYS A 97 -17.264 8.620 2.147 1.00 2.39 H new ATOM 0 HZ1 LYS A 97 -19.123 7.651 3.505 1.00 2.87 H new ATOM 0 HZ2 LYS A 97 -17.911 6.555 3.044 1.00 2.87 H new ATOM 0 HZ3 LYS A 97 -17.956 7.152 4.633 1.00 2.87 H new ATOM 1289 N TYR A 98 -12.467 5.549 0.868 1.00 0.63 N ATOM 1290 CA TYR A 98 -12.587 5.463 -0.589 1.00 0.68 C ATOM 1291 C TYR A 98 -12.847 4.029 -1.037 1.00 0.64 C ATOM 1292 O TYR A 98 -13.713 3.776 -1.873 1.00 0.73 O ATOM 1293 CB TYR A 98 -11.318 5.997 -1.265 1.00 0.71 C ATOM 1294 CG TYR A 98 -11.383 6.002 -2.779 1.00 1.02 C ATOM 1295 CD1 TYR A 98 -10.682 5.065 -3.530 1.00 1.91 C ATOM 1296 CD2 TYR A 98 -12.148 6.943 -3.457 1.00 1.78 C ATOM 1297 CE1 TYR A 98 -10.742 5.067 -4.912 1.00 2.65 C ATOM 1298 CE2 TYR A 98 -12.213 6.951 -4.837 1.00 2.50 C ATOM 1299 CZ TYR A 98 -11.508 6.013 -5.560 1.00 2.73 C ATOM 1300 OH TYR A 98 -11.572 6.016 -6.936 1.00 3.64 O ATOM 0 H TYR A 98 -11.553 5.862 1.195 1.00 0.63 H new ATOM 0 HA TYR A 98 -13.437 6.077 -0.888 1.00 0.68 H new ATOM 0 HB2 TYR A 98 -11.132 7.013 -0.916 1.00 0.71 H new ATOM 0 HB3 TYR A 98 -10.468 5.391 -0.950 1.00 0.71 H new ATOM 0 HD1 TYR A 98 -10.081 4.323 -3.026 1.00 1.91 H new ATOM 0 HD2 TYR A 98 -12.701 7.681 -2.895 1.00 1.78 H new ATOM 0 HE1 TYR A 98 -10.192 4.332 -5.480 1.00 2.65 H new ATOM 0 HE2 TYR A 98 -12.814 7.689 -5.347 1.00 2.50 H new ATOM 0 HH TYR A 98 -12.155 6.745 -7.235 1.00 3.64 H new ATOM 1310 N ALA A 99 -12.090 3.098 -0.483 1.00 0.56 N ATOM 1311 CA ALA A 99 -12.231 1.693 -0.831 1.00 0.56 C ATOM 1312 C ALA A 99 -12.766 0.907 0.343 1.00 0.52 C ATOM 1313 O ALA A 99 -12.582 1.300 1.495 1.00 0.60 O ATOM 1314 CB ALA A 99 -10.897 1.124 -1.267 1.00 0.59 C ATOM 0 H ALA A 99 -11.369 3.290 0.212 1.00 0.56 H new ATOM 0 HA ALA A 99 -12.938 1.614 -1.657 1.00 0.56 H new ATOM 0 HB1 ALA A 99 -11.017 0.072 -1.525 1.00 0.59 H new ATOM 0 HB2 ALA A 99 -10.535 1.672 -2.137 1.00 0.59 H new ATOM 0 HB3 ALA A 99 -10.178 1.219 -0.454 1.00 0.59 H new ATOM 1320 N ASP A 100 -13.429 -0.203 0.064 1.00 0.54 N ATOM 1321 CA ASP A 100 -13.938 -1.034 1.138 1.00 0.53 C ATOM 1322 C ASP A 100 -12.903 -2.083 1.475 1.00 0.47 C ATOM 1323 O ASP A 100 -12.796 -3.120 0.814 1.00 0.51 O ATOM 1324 CB ASP A 100 -15.260 -1.693 0.741 1.00 0.66 C ATOM 1325 CG ASP A 100 -15.797 -2.609 1.822 1.00 0.99 C ATOM 1326 OD1 ASP A 100 -16.074 -2.126 2.937 1.00 1.77 O ATOM 1327 OD2 ASP A 100 -15.963 -3.818 1.556 1.00 1.73 O ATOM 0 H ASP A 100 -13.624 -0.543 -0.878 1.00 0.54 H new ATOM 0 HA ASP A 100 -14.131 -0.413 2.013 1.00 0.53 H new ATOM 0 HB2 ASP A 100 -15.997 -0.920 0.524 1.00 0.66 H new ATOM 0 HB3 ASP A 100 -15.117 -2.263 -0.177 1.00 0.66 H new ATOM 1332 N ALA A 101 -12.166 -1.792 2.523 1.00 0.42 N ATOM 1333 CA ALA A 101 -11.093 -2.631 3.007 1.00 0.39 C ATOM 1334 C ALA A 101 -10.549 -1.994 4.258 1.00 0.37 C ATOM 1335 O ALA A 101 -11.076 -0.979 4.718 1.00 0.50 O ATOM 1336 CB ALA A 101 -9.996 -2.765 1.955 1.00 0.43 C ATOM 0 H ALA A 101 -12.299 -0.945 3.076 1.00 0.42 H new ATOM 0 HA ALA A 101 -11.463 -3.634 3.219 1.00 0.39 H new ATOM 0 HB1 ALA A 101 -9.198 -3.400 2.340 1.00 0.43 H new ATOM 0 HB2 ALA A 101 -10.411 -3.211 1.051 1.00 0.43 H new ATOM 0 HB3 ALA A 101 -9.594 -1.779 1.721 1.00 0.43 H new ATOM 1342 N GLU A 102 -9.501 -2.558 4.803 1.00 0.31 N ATOM 1343 CA GLU A 102 -8.770 -1.868 5.830 1.00 0.31 C ATOM 1344 C GLU A 102 -7.430 -1.444 5.259 1.00 0.29 C ATOM 1345 O GLU A 102 -6.439 -2.172 5.341 1.00 0.36 O ATOM 1346 CB GLU A 102 -8.598 -2.738 7.070 1.00 0.41 C ATOM 1347 CG GLU A 102 -9.802 -3.617 7.373 1.00 0.76 C ATOM 1348 CD GLU A 102 -9.897 -4.001 8.834 1.00 1.16 C ATOM 1349 OE1 GLU A 102 -8.970 -4.661 9.351 1.00 1.77 O ATOM 1350 OE2 GLU A 102 -10.905 -3.636 9.475 1.00 1.77 O ATOM 0 H GLU A 102 -9.140 -3.480 4.556 1.00 0.31 H new ATOM 0 HA GLU A 102 -9.327 -0.986 6.147 1.00 0.31 H new ATOM 0 HB2 GLU A 102 -7.721 -3.371 6.939 1.00 0.41 H new ATOM 0 HB3 GLU A 102 -8.403 -2.096 7.929 1.00 0.41 H new ATOM 0 HG2 GLU A 102 -10.712 -3.092 7.080 1.00 0.76 H new ATOM 0 HG3 GLU A 102 -9.747 -4.522 6.767 1.00 0.76 H new ATOM 1357 N VAL A 103 -7.419 -0.269 4.647 1.00 0.27 N ATOM 1358 CA VAL A 103 -6.227 0.238 4.001 1.00 0.32 C ATOM 1359 C VAL A 103 -5.507 1.223 4.909 1.00 0.32 C ATOM 1360 O VAL A 103 -6.077 2.218 5.360 1.00 0.38 O ATOM 1361 CB VAL A 103 -6.539 0.872 2.618 1.00 0.44 C ATOM 1362 CG1 VAL A 103 -7.650 1.895 2.694 1.00 0.70 C ATOM 1363 CG2 VAL A 103 -5.310 1.496 2.002 1.00 1.05 C ATOM 0 H VAL A 103 -8.227 0.350 4.587 1.00 0.27 H new ATOM 0 HA VAL A 103 -5.566 -0.609 3.818 1.00 0.32 H new ATOM 0 HB VAL A 103 -6.875 0.055 1.979 1.00 0.44 H new ATOM 0 HG11 VAL A 103 -7.831 2.310 1.702 1.00 0.70 H new ATOM 0 HG12 VAL A 103 -8.559 1.418 3.060 1.00 0.70 H new ATOM 0 HG13 VAL A 103 -7.361 2.696 3.375 1.00 0.70 H new ATOM 0 HG21 VAL A 103 -5.567 1.929 1.035 1.00 1.05 H new ATOM 0 HG22 VAL A 103 -4.930 2.277 2.660 1.00 1.05 H new ATOM 0 HG23 VAL A 103 -4.544 0.733 1.865 1.00 1.05 H new ATOM 1373 N ARG A 104 -4.261 0.909 5.196 1.00 0.33 N ATOM 1374 CA ARG A 104 -3.445 1.707 6.084 1.00 0.37 C ATOM 1375 C ARG A 104 -2.323 2.340 5.286 1.00 0.33 C ATOM 1376 O ARG A 104 -1.644 1.663 4.515 1.00 0.38 O ATOM 1377 CB ARG A 104 -2.892 0.821 7.197 1.00 0.46 C ATOM 1378 CG ARG A 104 -2.312 1.584 8.374 1.00 1.23 C ATOM 1379 CD ARG A 104 -1.970 0.638 9.511 1.00 1.26 C ATOM 1380 NE ARG A 104 -3.128 -0.159 9.914 1.00 1.50 N ATOM 1381 CZ ARG A 104 -3.051 -1.386 10.424 1.00 1.82 C ATOM 1382 NH1 ARG A 104 -1.869 -1.956 10.625 1.00 1.78 N ATOM 1383 NH2 ARG A 104 -4.163 -2.042 10.734 1.00 2.71 N ATOM 0 H ARG A 104 -3.785 0.090 4.818 1.00 0.33 H new ATOM 0 HA ARG A 104 -4.041 2.498 6.539 1.00 0.37 H new ATOM 0 HB2 ARG A 104 -3.689 0.171 7.558 1.00 0.46 H new ATOM 0 HB3 ARG A 104 -2.118 0.176 6.781 1.00 0.46 H new ATOM 0 HG2 ARG A 104 -1.417 2.121 8.060 1.00 1.23 H new ATOM 0 HG3 ARG A 104 -3.028 2.330 8.718 1.00 1.23 H new ATOM 0 HD2 ARG A 104 -1.161 -0.024 9.203 1.00 1.26 H new ATOM 0 HD3 ARG A 104 -1.606 1.210 10.364 1.00 1.26 H new ATOM 0 HE ARG A 104 -4.054 0.252 9.797 1.00 1.50 H new ATOM 0 HH11 ARG A 104 -1.014 -1.453 10.388 1.00 1.78 H new ATOM 0 HH12 ARG A 104 -1.816 -2.897 11.016 1.00 1.78 H new ATOM 0 HH21 ARG A 104 -5.072 -1.605 10.581 1.00 2.71 H new ATOM 0 HH22 ARG A 104 -4.108 -2.982 11.125 1.00 2.71 H new ATOM 1397 N VAL A 105 -2.133 3.632 5.456 1.00 0.31 N ATOM 1398 CA VAL A 105 -1.184 4.358 4.635 1.00 0.31 C ATOM 1399 C VAL A 105 -0.020 4.856 5.489 1.00 0.31 C ATOM 1400 O VAL A 105 -0.214 5.428 6.563 1.00 0.41 O ATOM 1401 CB VAL A 105 -1.881 5.516 3.876 1.00 0.39 C ATOM 1402 CG1 VAL A 105 -3.185 5.018 3.251 1.00 0.64 C ATOM 1403 CG2 VAL A 105 -2.147 6.712 4.779 1.00 0.71 C ATOM 0 H VAL A 105 -2.619 4.199 6.151 1.00 0.31 H new ATOM 0 HA VAL A 105 -0.779 3.681 3.883 1.00 0.31 H new ATOM 0 HB VAL A 105 -1.206 5.851 3.088 1.00 0.39 H new ATOM 0 HG11 VAL A 105 -3.670 5.837 2.719 1.00 0.64 H new ATOM 0 HG12 VAL A 105 -2.968 4.210 2.553 1.00 0.64 H new ATOM 0 HG13 VAL A 105 -3.848 4.652 4.035 1.00 0.64 H new ATOM 0 HG21 VAL A 105 -2.636 7.499 4.205 1.00 0.71 H new ATOM 0 HG22 VAL A 105 -2.792 6.409 5.603 1.00 0.71 H new ATOM 0 HG23 VAL A 105 -1.203 7.085 5.176 1.00 0.71 H new ATOM 1413 N ARG A 106 1.193 4.584 5.033 1.00 0.31 N ATOM 1414 CA ARG A 106 2.392 4.939 5.780 1.00 0.35 C ATOM 1415 C ARG A 106 3.275 5.861 4.954 1.00 0.29 C ATOM 1416 O ARG A 106 3.466 5.639 3.756 1.00 0.31 O ATOM 1417 CB ARG A 106 3.193 3.685 6.158 1.00 0.46 C ATOM 1418 CG ARG A 106 2.472 2.701 7.071 1.00 0.79 C ATOM 1419 CD ARG A 106 2.209 3.275 8.459 1.00 0.87 C ATOM 1420 NE ARG A 106 0.926 3.973 8.537 1.00 1.30 N ATOM 1421 CZ ARG A 106 0.156 3.998 9.624 1.00 1.70 C ATOM 1422 NH1 ARG A 106 0.576 3.445 10.754 1.00 1.88 N ATOM 1423 NH2 ARG A 106 -1.033 4.586 9.583 1.00 2.63 N ATOM 0 H ARG A 106 1.374 4.116 4.145 1.00 0.31 H new ATOM 0 HA ARG A 106 2.078 5.450 6.690 1.00 0.35 H new ATOM 0 HB2 ARG A 106 3.476 3.165 5.243 1.00 0.46 H new ATOM 0 HB3 ARG A 106 4.117 3.997 6.645 1.00 0.46 H new ATOM 0 HG2 ARG A 106 1.524 2.415 6.615 1.00 0.79 H new ATOM 0 HG3 ARG A 106 3.068 1.793 7.164 1.00 0.79 H new ATOM 0 HD2 ARG A 106 2.227 2.469 9.192 1.00 0.87 H new ATOM 0 HD3 ARG A 106 3.011 3.964 8.723 1.00 0.87 H new ATOM 0 HE ARG A 106 0.601 4.471 7.708 1.00 1.30 H new ATOM 0 HH11 ARG A 106 1.492 2.998 10.793 1.00 1.88 H new ATOM 0 HH12 ARG A 106 -0.017 3.467 11.584 1.00 1.88 H new ATOM 0 HH21 ARG A 106 -1.358 5.019 8.719 1.00 2.63 H new ATOM 0 HH22 ARG A 106 -1.622 4.605 10.416 1.00 2.63 H new ATOM 1437 N THR A 107 3.809 6.889 5.589 1.00 0.34 N ATOM 1438 CA THR A 107 4.706 7.807 4.915 1.00 0.36 C ATOM 1439 C THR A 107 6.147 7.298 4.994 1.00 0.40 C ATOM 1440 O THR A 107 6.722 7.164 6.076 1.00 0.56 O ATOM 1441 CB THR A 107 4.591 9.241 5.490 1.00 0.50 C ATOM 1442 OG1 THR A 107 5.543 10.110 4.865 1.00 0.56 O ATOM 1443 CG2 THR A 107 4.783 9.263 7.001 1.00 0.64 C ATOM 0 H THR A 107 3.636 7.108 6.570 1.00 0.34 H new ATOM 0 HA THR A 107 4.412 7.855 3.866 1.00 0.36 H new ATOM 0 HB THR A 107 3.583 9.596 5.275 1.00 0.50 H new ATOM 0 HG1 THR A 107 5.085 10.907 4.526 1.00 0.56 H new ATOM 0 HG21 THR A 107 4.695 10.287 7.364 1.00 0.64 H new ATOM 0 HG22 THR A 107 4.021 8.643 7.474 1.00 0.64 H new ATOM 0 HG23 THR A 107 5.771 8.874 7.248 1.00 0.64 H new ATOM 1451 N VAL A 108 6.715 6.982 3.839 1.00 0.44 N ATOM 1452 CA VAL A 108 8.062 6.436 3.774 1.00 0.60 C ATOM 1453 C VAL A 108 8.989 7.358 2.988 1.00 0.68 C ATOM 1454 O VAL A 108 8.733 7.683 1.829 1.00 0.86 O ATOM 1455 CB VAL A 108 8.077 5.018 3.150 1.00 0.71 C ATOM 1456 CG1 VAL A 108 7.397 4.024 4.077 1.00 1.34 C ATOM 1457 CG2 VAL A 108 7.405 5.007 1.782 1.00 0.97 C ATOM 0 H VAL A 108 6.262 7.095 2.932 1.00 0.44 H new ATOM 0 HA VAL A 108 8.424 6.360 4.799 1.00 0.60 H new ATOM 0 HB VAL A 108 9.118 4.724 3.016 1.00 0.71 H new ATOM 0 HG11 VAL A 108 7.416 3.033 3.624 1.00 1.34 H new ATOM 0 HG12 VAL A 108 7.923 3.997 5.031 1.00 1.34 H new ATOM 0 HG13 VAL A 108 6.363 4.328 4.241 1.00 1.34 H new ATOM 0 HG21 VAL A 108 7.432 3.998 1.371 1.00 0.97 H new ATOM 0 HG22 VAL A 108 6.369 5.330 1.883 1.00 0.97 H new ATOM 0 HG23 VAL A 108 7.933 5.686 1.112 1.00 0.97 H new ATOM 1467 N THR A 109 10.061 7.792 3.629 1.00 0.68 N ATOM 1468 CA THR A 109 11.013 8.684 2.988 1.00 0.78 C ATOM 1469 C THR A 109 12.300 7.957 2.602 1.00 0.71 C ATOM 1470 O THR A 109 13.229 8.567 2.072 1.00 0.88 O ATOM 1471 CB THR A 109 11.353 9.878 3.901 1.00 0.96 C ATOM 1472 OG1 THR A 109 11.688 9.410 5.213 1.00 1.22 O ATOM 1473 CG2 THR A 109 10.184 10.846 3.983 1.00 1.11 C ATOM 0 H THR A 109 10.294 7.542 4.590 1.00 0.68 H new ATOM 0 HA THR A 109 10.537 9.051 2.078 1.00 0.78 H new ATOM 0 HB THR A 109 12.208 10.403 3.474 1.00 0.96 H new ATOM 0 HG1 THR A 109 11.905 10.174 5.787 1.00 1.22 H new ATOM 0 HG21 THR A 109 10.447 11.680 4.633 1.00 1.11 H new ATOM 0 HG22 THR A 109 9.952 11.221 2.986 1.00 1.11 H new ATOM 0 HG23 THR A 109 9.313 10.331 4.389 1.00 1.11 H new ATOM 1481 N SER A 110 12.359 6.655 2.861 1.00 0.59 N ATOM 1482 CA SER A 110 13.558 5.878 2.568 1.00 0.54 C ATOM 1483 C SER A 110 13.213 4.418 2.325 1.00 0.49 C ATOM 1484 O SER A 110 12.162 3.945 2.767 1.00 0.51 O ATOM 1485 CB SER A 110 14.563 5.966 3.721 1.00 0.62 C ATOM 1486 OG SER A 110 14.604 7.271 4.279 1.00 0.93 O ATOM 0 H SER A 110 11.595 6.118 3.271 1.00 0.59 H new ATOM 0 HA SER A 110 14.004 6.299 1.667 1.00 0.54 H new ATOM 0 HB2 SER A 110 14.294 5.247 4.495 1.00 0.62 H new ATOM 0 HB3 SER A 110 15.555 5.692 3.362 1.00 0.62 H new ATOM 0 HG SER A 110 15.253 7.293 5.013 1.00 0.93 H new ATOM 1492 N PRO A 111 14.079 3.694 1.609 1.00 0.49 N ATOM 1493 CA PRO A 111 13.900 2.265 1.345 1.00 0.49 C ATOM 1494 C PRO A 111 13.610 1.448 2.599 1.00 0.45 C ATOM 1495 O PRO A 111 12.619 0.715 2.656 1.00 0.50 O ATOM 1496 CB PRO A 111 15.240 1.855 0.748 1.00 0.58 C ATOM 1497 CG PRO A 111 15.758 3.085 0.100 1.00 0.60 C ATOM 1498 CD PRO A 111 15.298 4.222 0.964 1.00 0.54 C ATOM 0 HA PRO A 111 13.041 2.084 0.699 1.00 0.49 H new ATOM 0 HB2 PRO A 111 15.923 1.496 1.518 1.00 0.58 H new ATOM 0 HB3 PRO A 111 15.121 1.047 0.026 1.00 0.58 H new ATOM 0 HG2 PRO A 111 16.845 3.062 0.029 1.00 0.60 H new ATOM 0 HG3 PRO A 111 15.374 3.184 -0.915 1.00 0.60 H new ATOM 0 HD2 PRO A 111 16.054 4.498 1.699 1.00 0.54 H new ATOM 0 HD3 PRO A 111 15.086 5.114 0.374 1.00 0.54 H new ATOM 1506 N ASP A 112 14.466 1.588 3.606 1.00 0.47 N ATOM 1507 CA ASP A 112 14.360 0.792 4.830 1.00 0.49 C ATOM 1508 C ASP A 112 13.050 1.059 5.563 1.00 0.43 C ATOM 1509 O ASP A 112 12.526 0.179 6.245 1.00 0.45 O ATOM 1510 CB ASP A 112 15.550 1.054 5.751 1.00 0.60 C ATOM 1511 CG ASP A 112 16.827 0.413 5.243 1.00 1.16 C ATOM 1512 OD1 ASP A 112 17.147 -0.711 5.680 1.00 1.71 O ATOM 1513 OD2 ASP A 112 17.514 1.027 4.397 1.00 2.04 O ATOM 0 H ASP A 112 15.245 2.247 3.601 1.00 0.47 H new ATOM 0 HA ASP A 112 14.369 -0.258 4.538 1.00 0.49 H new ATOM 0 HB2 ASP A 112 15.700 2.129 5.849 1.00 0.60 H new ATOM 0 HB3 ASP A 112 15.326 0.672 6.747 1.00 0.60 H new ATOM 1518 N GLU A 113 12.521 2.267 5.408 1.00 0.43 N ATOM 1519 CA GLU A 113 11.222 2.610 5.972 1.00 0.45 C ATOM 1520 C GLU A 113 10.147 1.706 5.381 1.00 0.37 C ATOM 1521 O GLU A 113 9.331 1.133 6.101 1.00 0.40 O ATOM 1522 CB GLU A 113 10.884 4.075 5.685 1.00 0.57 C ATOM 1523 CG GLU A 113 11.796 5.064 6.388 1.00 0.78 C ATOM 1524 CD GLU A 113 11.573 5.089 7.886 1.00 1.46 C ATOM 1525 OE1 GLU A 113 12.328 4.419 8.616 1.00 2.21 O ATOM 1526 OE2 GLU A 113 10.635 5.782 8.335 1.00 2.13 O ATOM 0 H GLU A 113 12.972 3.025 4.896 1.00 0.43 H new ATOM 0 HA GLU A 113 11.261 2.466 7.052 1.00 0.45 H new ATOM 0 HB2 GLU A 113 10.938 4.247 4.610 1.00 0.57 H new ATOM 0 HB3 GLU A 113 9.854 4.266 5.987 1.00 0.57 H new ATOM 0 HG2 GLU A 113 12.835 4.806 6.182 1.00 0.78 H new ATOM 0 HG3 GLU A 113 11.628 6.061 5.981 1.00 0.78 H new ATOM 1533 N ALA A 114 10.175 1.569 4.061 1.00 0.37 N ATOM 1534 CA ALA A 114 9.218 0.733 3.353 1.00 0.39 C ATOM 1535 C ALA A 114 9.390 -0.731 3.739 1.00 0.36 C ATOM 1536 O ALA A 114 8.420 -1.415 4.061 1.00 0.38 O ATOM 1537 CB ALA A 114 9.374 0.912 1.850 1.00 0.48 C ATOM 0 H ALA A 114 10.856 2.030 3.457 1.00 0.37 H new ATOM 0 HA ALA A 114 8.212 1.042 3.638 1.00 0.39 H new ATOM 0 HB1 ALA A 114 8.652 0.281 1.332 1.00 0.48 H new ATOM 0 HB2 ALA A 114 9.198 1.955 1.588 1.00 0.48 H new ATOM 0 HB3 ALA A 114 10.384 0.628 1.553 1.00 0.48 H new ATOM 1543 N LYS A 115 10.640 -1.191 3.724 1.00 0.38 N ATOM 1544 CA LYS A 115 10.966 -2.578 4.055 1.00 0.45 C ATOM 1545 C LYS A 115 10.449 -2.940 5.447 1.00 0.39 C ATOM 1546 O LYS A 115 9.993 -4.060 5.685 1.00 0.44 O ATOM 1547 CB LYS A 115 12.482 -2.791 3.992 1.00 0.57 C ATOM 1548 CG LYS A 115 13.095 -2.426 2.646 1.00 0.75 C ATOM 1549 CD LYS A 115 14.616 -2.397 2.710 1.00 0.77 C ATOM 1550 CE LYS A 115 15.217 -3.792 2.772 1.00 1.22 C ATOM 1551 NZ LYS A 115 15.193 -4.465 1.447 1.00 1.53 N ATOM 0 H LYS A 115 11.450 -0.619 3.484 1.00 0.38 H new ATOM 0 HA LYS A 115 10.481 -3.227 3.326 1.00 0.45 H new ATOM 0 HB2 LYS A 115 12.957 -2.195 4.771 1.00 0.57 H new ATOM 0 HB3 LYS A 115 12.703 -3.836 4.211 1.00 0.57 H new ATOM 0 HG2 LYS A 115 12.776 -3.147 1.893 1.00 0.75 H new ATOM 0 HG3 LYS A 115 12.725 -1.451 2.330 1.00 0.75 H new ATOM 0 HD2 LYS A 115 15.004 -1.875 1.836 1.00 0.77 H new ATOM 0 HD3 LYS A 115 14.930 -1.829 3.586 1.00 0.77 H new ATOM 0 HE2 LYS A 115 16.245 -3.729 3.129 1.00 1.22 H new ATOM 0 HE3 LYS A 115 14.665 -4.393 3.495 1.00 1.22 H new ATOM 0 HZ1 LYS A 115 15.687 -5.378 1.512 1.00 1.53 H new ATOM 0 HZ2 LYS A 115 14.207 -4.625 1.157 1.00 1.53 H new ATOM 0 HZ3 LYS A 115 15.668 -3.864 0.744 1.00 1.53 H new ATOM 1565 N ARG A 116 10.523 -1.976 6.357 1.00 0.36 N ATOM 1566 CA ARG A 116 10.030 -2.150 7.714 1.00 0.39 C ATOM 1567 C ARG A 116 8.525 -2.408 7.725 1.00 0.35 C ATOM 1568 O ARG A 116 8.068 -3.446 8.205 1.00 0.42 O ATOM 1569 CB ARG A 116 10.357 -0.908 8.549 1.00 0.50 C ATOM 1570 CG ARG A 116 9.737 -0.908 9.937 1.00 1.14 C ATOM 1571 CD ARG A 116 10.106 0.349 10.708 1.00 1.65 C ATOM 1572 NE ARG A 116 11.532 0.397 11.027 1.00 2.40 N ATOM 1573 CZ ARG A 116 12.200 1.517 11.312 1.00 3.29 C ATOM 1574 NH1 ARG A 116 11.595 2.696 11.238 1.00 3.61 N ATOM 1575 NH2 ARG A 116 13.480 1.458 11.658 1.00 4.21 N ATOM 0 H ARG A 116 10.925 -1.056 6.174 1.00 0.36 H new ATOM 0 HA ARG A 116 10.524 -3.019 8.149 1.00 0.39 H new ATOM 0 HB2 ARG A 116 11.439 -0.825 8.647 1.00 0.50 H new ATOM 0 HB3 ARG A 116 10.017 -0.023 8.012 1.00 0.50 H new ATOM 0 HG2 ARG A 116 8.653 -0.980 9.853 1.00 1.14 H new ATOM 0 HG3 ARG A 116 10.073 -1.787 10.488 1.00 1.14 H new ATOM 0 HD2 ARG A 116 9.836 1.227 10.121 1.00 1.65 H new ATOM 0 HD3 ARG A 116 9.527 0.392 11.630 1.00 1.65 H new ATOM 0 HE ARG A 116 12.050 -0.482 11.032 1.00 2.40 H new ATOM 0 HH11 ARG A 116 10.614 2.750 10.962 1.00 3.61 H new ATOM 0 HH12 ARG A 116 12.111 3.548 11.457 1.00 3.61 H new ATOM 0 HH21 ARG A 116 13.954 0.556 11.706 1.00 4.21 H new ATOM 0 HH22 ARG A 116 13.989 2.314 11.876 1.00 4.21 H new ATOM 1589 N TRP A 117 7.762 -1.475 7.166 1.00 0.31 N ATOM 1590 CA TRP A 117 6.305 -1.539 7.237 1.00 0.32 C ATOM 1591 C TRP A 117 5.752 -2.728 6.464 1.00 0.30 C ATOM 1592 O TRP A 117 4.724 -3.288 6.840 1.00 0.36 O ATOM 1593 CB TRP A 117 5.677 -0.242 6.733 1.00 0.36 C ATOM 1594 CG TRP A 117 6.102 0.960 7.520 1.00 0.40 C ATOM 1595 CD1 TRP A 117 6.603 2.125 7.022 1.00 0.47 C ATOM 1596 CD2 TRP A 117 6.080 1.109 8.947 1.00 0.56 C ATOM 1597 NE1 TRP A 117 6.894 2.989 8.046 1.00 0.53 N ATOM 1598 CE2 TRP A 117 6.582 2.390 9.237 1.00 0.60 C ATOM 1599 CE3 TRP A 117 5.683 0.286 10.006 1.00 0.76 C ATOM 1600 CZ2 TRP A 117 6.698 2.866 10.541 1.00 0.80 C ATOM 1601 CZ3 TRP A 117 5.801 0.759 11.298 1.00 0.98 C ATOM 1602 CH2 TRP A 117 6.305 2.038 11.555 1.00 0.99 C ATOM 0 H TRP A 117 8.126 -0.667 6.660 1.00 0.31 H new ATOM 0 HA TRP A 117 6.041 -1.672 8.286 1.00 0.32 H new ATOM 0 HB2 TRP A 117 5.946 -0.098 5.687 1.00 0.36 H new ATOM 0 HB3 TRP A 117 4.591 -0.331 6.774 1.00 0.36 H new ATOM 0 HD1 TRP A 117 6.750 2.337 5.973 1.00 0.47 H new ATOM 0 HE1 TRP A 117 7.281 3.927 7.938 1.00 0.53 H new ATOM 0 HE3 TRP A 117 5.291 -0.702 9.817 1.00 0.76 H new ATOM 0 HZ2 TRP A 117 7.085 3.854 10.744 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 5.499 0.131 12.123 1.00 0.98 H new ATOM 0 HH2 TRP A 117 6.385 2.379 12.577 1.00 0.99 H new ATOM 1613 N ILE A 118 6.431 -3.115 5.393 1.00 0.29 N ATOM 1614 CA ILE A 118 6.023 -4.281 4.619 1.00 0.32 C ATOM 1615 C ILE A 118 6.021 -5.532 5.496 1.00 0.36 C ATOM 1616 O ILE A 118 5.064 -6.309 5.489 1.00 0.40 O ATOM 1617 CB ILE A 118 6.940 -4.500 3.392 1.00 0.41 C ATOM 1618 CG1 ILE A 118 6.773 -3.348 2.394 1.00 0.44 C ATOM 1619 CG2 ILE A 118 6.639 -5.834 2.721 1.00 0.51 C ATOM 1620 CD1 ILE A 118 7.706 -3.429 1.204 1.00 0.57 C ATOM 0 H ILE A 118 7.263 -2.642 5.041 1.00 0.29 H new ATOM 0 HA ILE A 118 5.012 -4.095 4.257 1.00 0.32 H new ATOM 0 HB ILE A 118 7.974 -4.520 3.735 1.00 0.41 H new ATOM 0 HG12 ILE A 118 5.743 -3.336 2.036 1.00 0.44 H new ATOM 0 HG13 ILE A 118 6.941 -2.404 2.912 1.00 0.44 H new ATOM 0 HG21 ILE A 118 7.296 -5.965 1.861 1.00 0.51 H new ATOM 0 HG22 ILE A 118 6.804 -6.644 3.431 1.00 0.51 H new ATOM 0 HG23 ILE A 118 5.601 -5.848 2.390 1.00 0.51 H new ATOM 0 HD11 ILE A 118 7.528 -2.580 0.544 1.00 0.57 H new ATOM 0 HD12 ILE A 118 8.739 -3.409 1.550 1.00 0.57 H new ATOM 0 HD13 ILE A 118 7.523 -4.356 0.661 1.00 0.57 H new ATOM 1632 N LYS A 119 7.079 -5.703 6.279 1.00 0.41 N ATOM 1633 CA LYS A 119 7.199 -6.867 7.148 1.00 0.53 C ATOM 1634 C LYS A 119 6.250 -6.765 8.339 1.00 0.55 C ATOM 1635 O LYS A 119 5.812 -7.781 8.879 1.00 0.67 O ATOM 1636 CB LYS A 119 8.643 -7.037 7.625 1.00 0.63 C ATOM 1637 CG LYS A 119 9.605 -7.396 6.503 1.00 1.09 C ATOM 1638 CD LYS A 119 11.012 -7.703 7.007 1.00 1.34 C ATOM 1639 CE LYS A 119 11.750 -6.457 7.480 1.00 2.05 C ATOM 1640 NZ LYS A 119 11.385 -6.071 8.867 1.00 2.66 N ATOM 0 H LYS A 119 7.864 -5.053 6.330 1.00 0.41 H new ATOM 0 HA LYS A 119 6.919 -7.747 6.569 1.00 0.53 H new ATOM 0 HB2 LYS A 119 8.974 -6.112 8.097 1.00 0.63 H new ATOM 0 HB3 LYS A 119 8.678 -7.815 8.388 1.00 0.63 H new ATOM 0 HG2 LYS A 119 9.220 -8.261 5.964 1.00 1.09 H new ATOM 0 HG3 LYS A 119 9.651 -6.571 5.792 1.00 1.09 H new ATOM 0 HD2 LYS A 119 10.952 -8.418 7.827 1.00 1.34 H new ATOM 0 HD3 LYS A 119 11.584 -8.179 6.210 1.00 1.34 H new ATOM 0 HE2 LYS A 119 12.824 -6.633 7.426 1.00 2.05 H new ATOM 0 HE3 LYS A 119 11.528 -5.630 6.806 1.00 2.05 H new ATOM 0 HZ1 LYS A 119 10.902 -5.150 8.855 1.00 2.66 H new ATOM 0 HZ2 LYS A 119 10.751 -6.789 9.272 1.00 2.66 H new ATOM 0 HZ3 LYS A 119 12.246 -6.003 9.446 1.00 2.66 H new ATOM 1654 N GLU A 120 5.931 -5.544 8.744 1.00 0.51 N ATOM 1655 CA GLU A 120 4.977 -5.331 9.827 1.00 0.63 C ATOM 1656 C GLU A 120 3.565 -5.663 9.363 1.00 0.60 C ATOM 1657 O GLU A 120 2.816 -6.349 10.057 1.00 0.79 O ATOM 1658 CB GLU A 120 5.037 -3.887 10.324 1.00 0.71 C ATOM 1659 CG GLU A 120 6.365 -3.520 10.960 1.00 1.43 C ATOM 1660 CD GLU A 120 6.724 -4.438 12.109 1.00 1.83 C ATOM 1661 OE1 GLU A 120 7.607 -5.302 11.932 1.00 2.48 O ATOM 1662 OE2 GLU A 120 6.118 -4.305 13.192 1.00 2.33 O ATOM 0 H GLU A 120 6.316 -4.689 8.343 1.00 0.51 H new ATOM 0 HA GLU A 120 5.244 -5.994 10.650 1.00 0.63 H new ATOM 0 HB2 GLU A 120 4.846 -3.215 9.487 1.00 0.71 H new ATOM 0 HB3 GLU A 120 4.239 -3.727 11.050 1.00 0.71 H new ATOM 0 HG2 GLU A 120 7.151 -3.561 10.206 1.00 1.43 H new ATOM 0 HG3 GLU A 120 6.322 -2.492 11.319 1.00 1.43 H new ATOM 1669 N PHE A 121 3.222 -5.191 8.172 1.00 0.44 N ATOM 1670 CA PHE A 121 1.902 -5.415 7.598 1.00 0.43 C ATOM 1671 C PHE A 121 1.662 -6.901 7.344 1.00 0.46 C ATOM 1672 O PHE A 121 0.526 -7.374 7.384 1.00 0.54 O ATOM 1673 CB PHE A 121 1.765 -4.631 6.295 1.00 0.38 C ATOM 1674 CG PHE A 121 0.396 -4.696 5.680 1.00 0.43 C ATOM 1675 CD1 PHE A 121 -0.673 -4.039 6.269 1.00 1.37 C ATOM 1676 CD2 PHE A 121 0.181 -5.401 4.508 1.00 1.19 C ATOM 1677 CE1 PHE A 121 -1.931 -4.088 5.701 1.00 1.43 C ATOM 1678 CE2 PHE A 121 -1.075 -5.453 3.937 1.00 1.23 C ATOM 1679 CZ PHE A 121 -2.130 -4.795 4.533 1.00 0.67 C ATOM 0 H PHE A 121 3.847 -4.645 7.579 1.00 0.44 H new ATOM 0 HA PHE A 121 1.153 -5.067 8.309 1.00 0.43 H new ATOM 0 HB2 PHE A 121 2.018 -3.588 6.483 1.00 0.38 H new ATOM 0 HB3 PHE A 121 2.492 -5.010 5.577 1.00 0.38 H new ATOM 0 HD1 PHE A 121 -0.521 -3.483 7.182 1.00 1.37 H new ATOM 0 HD2 PHE A 121 1.004 -5.916 4.035 1.00 1.19 H new ATOM 0 HE1 PHE A 121 -2.757 -3.574 6.170 1.00 1.43 H new ATOM 0 HE2 PHE A 121 -1.231 -6.009 3.024 1.00 1.23 H new ATOM 0 HZ PHE A 121 -3.112 -4.833 4.086 1.00 0.67 H new ATOM 1689 N SER A 122 2.738 -7.634 7.093 1.00 0.44 N ATOM 1690 CA SER A 122 2.646 -9.068 6.870 1.00 0.50 C ATOM 1691 C SER A 122 2.154 -9.779 8.130 1.00 0.58 C ATOM 1692 O SER A 122 1.477 -10.807 8.057 1.00 0.80 O ATOM 1693 CB SER A 122 4.010 -9.625 6.460 1.00 0.57 C ATOM 1694 OG SER A 122 4.523 -8.960 5.315 1.00 1.31 O ATOM 0 H SER A 122 3.685 -7.258 7.039 1.00 0.44 H new ATOM 0 HA SER A 122 1.930 -9.245 6.067 1.00 0.50 H new ATOM 0 HB2 SER A 122 4.711 -9.519 7.288 1.00 0.57 H new ATOM 0 HB3 SER A 122 3.921 -10.691 6.253 1.00 0.57 H new ATOM 0 HG SER A 122 4.623 -8.005 5.509 1.00 1.31 H new ATOM 1700 N GLU A 123 2.476 -9.207 9.285 1.00 0.63 N ATOM 1701 CA GLU A 123 2.150 -9.823 10.564 1.00 0.81 C ATOM 1702 C GLU A 123 0.798 -9.348 11.080 1.00 0.92 C ATOM 1703 O GLU A 123 0.412 -9.651 12.210 1.00 1.44 O ATOM 1704 CB GLU A 123 3.241 -9.512 11.590 1.00 1.25 C ATOM 1705 CG GLU A 123 4.608 -10.048 11.200 1.00 1.57 C ATOM 1706 CD GLU A 123 4.605 -11.549 11.005 1.00 1.91 C ATOM 1707 OE1 GLU A 123 4.747 -12.280 12.004 1.00 2.53 O ATOM 1708 OE2 GLU A 123 4.462 -12.009 9.854 1.00 2.37 O ATOM 0 H GLU A 123 2.964 -8.315 9.361 1.00 0.63 H new ATOM 0 HA GLU A 123 2.093 -10.901 10.413 1.00 0.81 H new ATOM 0 HB2 GLU A 123 3.307 -8.432 11.723 1.00 1.25 H new ATOM 0 HB3 GLU A 123 2.955 -9.935 12.553 1.00 1.25 H new ATOM 0 HG2 GLU A 123 4.935 -9.565 10.279 1.00 1.57 H new ATOM 0 HG3 GLU A 123 5.332 -9.786 11.972 1.00 1.57 H new ATOM 1715 N GLU A 124 0.083 -8.603 10.253 1.00 1.15 N ATOM 1716 CA GLU A 124 -1.242 -8.129 10.612 1.00 1.53 C ATOM 1717 C GLU A 124 -2.273 -9.225 10.366 1.00 2.14 C ATOM 1718 O GLU A 124 -2.584 -9.972 11.317 1.00 2.76 O ATOM 1719 CB GLU A 124 -1.594 -6.874 9.812 1.00 1.74 C ATOM 1720 CG GLU A 124 -0.681 -5.690 10.091 1.00 1.61 C ATOM 1721 CD GLU A 124 -0.853 -5.136 11.489 1.00 1.88 C ATOM 1722 OE1 GLU A 124 -1.828 -4.392 11.718 1.00 2.49 O ATOM 1723 OE2 GLU A 124 -0.014 -5.431 12.364 1.00 2.34 O ATOM 1724 OXT GLU A 124 -2.749 -9.354 9.217 1.00 2.57 O ATOM 0 H GLU A 124 0.399 -8.314 9.327 1.00 1.15 H new ATOM 0 HA GLU A 124 -1.249 -7.874 11.672 1.00 1.53 H new ATOM 0 HB2 GLU A 124 -1.553 -7.109 8.749 1.00 1.74 H new ATOM 0 HB3 GLU A 124 -2.622 -6.589 10.036 1.00 1.74 H new ATOM 0 HG2 GLU A 124 0.356 -5.995 9.951 1.00 1.61 H new ATOM 0 HG3 GLU A 124 -0.882 -4.902 9.365 1.00 1.61 H new TER 1731 GLU A 124