USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 888 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.22) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0294) USER MOD Single : A 40 LYS NZ :NH3+ -167:sc= 1.28 (180deg=1.07) USER MOD Single : A 41 MET CE :methyl 178:sc= -0.428 (180deg=-0.449) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0121 X(o=-0.012,f=-0.11) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 40:sc= 0.572 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -158:sc= -0.7 (180deg=-1.46) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 93:sc= 0.573 USER MOD Single : A 71 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0504) USER MOD Single : A 79 THR OG1 : rot -130:sc= -0.239 USER MOD Single : A 80 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0232) USER MOD Single : A 84 LYS NZ :NH3+ 136:sc= 0.552 (180deg=0.00899) USER MOD Single : A 86 LYS NZ :NH3+ 143:sc= 1.15 (180deg=0.835) USER MOD Single : A 87 LYS NZ :NH3+ -119:sc= -0.467 (180deg=-2.09!) USER MOD Single : A 91 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0157) USER MOD Single : A 92 LYS NZ :NH3+ 156:sc= 1.91 (180deg=0.91!) USER MOD Single : A 95 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0403) USER MOD Single : A 96 LYS NZ :NH3+ -169:sc= 1.09 (180deg=0.615) USER MOD Single : A 97 ASN : amide:sc= -0.145 K(o=-0.15,f=-1.1) USER MOD Single : A 104 LYS NZ :NH3+ -174:sc= 2.5 (180deg=2.42) USER MOD Single : A 106 THR OG1 : rot 88:sc= 0.751 USER MOD Single : A 107 SER OG : rot 150:sc= 0.167 USER MOD Single : A 112 LYS NZ :NH3+ 170:sc= 1.18 (180deg=1.07) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 104:sc= -0.19 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 22 -4.104 14.051 -1.694 1.00 1.16 N ATOM 2 CA GLY A 22 -4.537 12.794 -1.039 1.00 1.05 C ATOM 3 C GLY A 22 -4.035 11.570 -1.767 1.00 0.87 C ATOM 4 O GLY A 22 -4.532 11.235 -2.841 1.00 0.89 O ATOM 0 HA2 GLY A 22 -4.174 12.778 -0.011 1.00 1.05 H new ATOM 0 HA3 GLY A 22 -5.626 12.766 -0.993 1.00 1.05 H new ATOM 7 N LEU A 23 -3.045 10.904 -1.190 1.00 0.75 N ATOM 8 CA LEU A 23 -2.491 9.700 -1.789 1.00 0.62 C ATOM 9 C LEU A 23 -2.153 8.690 -0.693 1.00 0.51 C ATOM 10 O LEU A 23 -1.459 9.019 0.271 1.00 0.59 O ATOM 11 CB LEU A 23 -1.251 10.061 -2.610 1.00 0.75 C ATOM 12 CG LEU A 23 -0.874 9.067 -3.707 1.00 1.22 C ATOM 13 CD1 LEU A 23 -2.019 8.908 -4.691 1.00 1.78 C ATOM 14 CD2 LEU A 23 0.377 9.530 -4.434 1.00 1.91 C ATOM 0 H LEU A 23 -2.610 11.177 -0.309 1.00 0.75 H new ATOM 0 HA LEU A 23 -3.224 9.246 -2.456 1.00 0.62 H new ATOM 0 HB2 LEU A 23 -1.412 11.037 -3.068 1.00 0.75 H new ATOM 0 HB3 LEU A 23 -0.405 10.164 -1.931 1.00 0.75 H new ATOM 0 HG LEU A 23 -0.672 8.101 -3.243 1.00 1.22 H new ATOM 0 HD11 LEU A 23 -1.736 8.197 -5.467 1.00 1.78 H new ATOM 0 HD12 LEU A 23 -2.901 8.541 -4.167 1.00 1.78 H new ATOM 0 HD13 LEU A 23 -2.243 9.872 -5.147 1.00 1.78 H new ATOM 0 HD21 LEU A 23 0.633 8.811 -5.212 1.00 1.91 H new ATOM 0 HD22 LEU A 23 0.195 10.505 -4.886 1.00 1.91 H new ATOM 0 HD23 LEU A 23 1.202 9.606 -3.726 1.00 1.91 H new ATOM 26 N LEU A 24 -2.654 7.470 -0.835 1.00 0.40 N ATOM 27 CA LEU A 24 -2.552 6.477 0.227 1.00 0.39 C ATOM 28 C LEU A 24 -1.750 5.263 -0.241 1.00 0.38 C ATOM 29 O LEU A 24 -1.798 4.888 -1.414 1.00 0.50 O ATOM 30 CB LEU A 24 -3.967 6.077 0.682 1.00 0.44 C ATOM 31 CG LEU A 24 -4.059 5.176 1.921 1.00 0.50 C ATOM 32 CD1 LEU A 24 -5.382 5.397 2.630 1.00 1.02 C ATOM 33 CD2 LEU A 24 -3.926 3.711 1.544 1.00 1.24 C ATOM 0 H LEU A 24 -3.134 7.144 -1.674 1.00 0.40 H new ATOM 0 HA LEU A 24 -2.019 6.905 1.076 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -4.532 6.988 0.880 1.00 0.44 H new ATOM 0 HB3 LEU A 24 -4.461 5.569 -0.146 1.00 0.44 H new ATOM 0 HG LEU A 24 -3.238 5.439 2.588 1.00 0.50 H new ATOM 0 HD11 LEU A 24 -5.437 4.753 3.508 1.00 1.02 H new ATOM 0 HD12 LEU A 24 -5.459 6.439 2.940 1.00 1.02 H new ATOM 0 HD13 LEU A 24 -6.202 5.158 1.953 1.00 1.02 H new ATOM 0 HD21 LEU A 24 -3.995 3.097 2.442 1.00 1.24 H new ATOM 0 HD22 LEU A 24 -4.726 3.438 0.855 1.00 1.24 H new ATOM 0 HD23 LEU A 24 -2.962 3.545 1.064 1.00 1.24 H new ATOM 45 N VAL A 25 -1.009 4.658 0.681 1.00 0.37 N ATOM 46 CA VAL A 25 -0.181 3.505 0.362 1.00 0.40 C ATOM 47 C VAL A 25 -0.372 2.384 1.379 1.00 0.42 C ATOM 48 O VAL A 25 -0.434 2.621 2.584 1.00 0.56 O ATOM 49 CB VAL A 25 1.322 3.878 0.281 1.00 0.49 C ATOM 50 CG1 VAL A 25 2.184 2.648 0.030 1.00 0.95 C ATOM 51 CG2 VAL A 25 1.563 4.912 -0.804 1.00 0.84 C ATOM 0 H VAL A 25 -0.966 4.949 1.658 1.00 0.37 H new ATOM 0 HA VAL A 25 -0.504 3.154 -0.618 1.00 0.40 H new ATOM 0 HB VAL A 25 1.606 4.305 1.243 1.00 0.49 H new ATOM 0 HG11 VAL A 25 3.232 2.943 -0.022 1.00 0.95 H new ATOM 0 HG12 VAL A 25 2.047 1.936 0.843 1.00 0.95 H new ATOM 0 HG13 VAL A 25 1.891 2.184 -0.912 1.00 0.95 H new ATOM 0 HG21 VAL A 25 2.624 5.158 -0.843 1.00 0.84 H new ATOM 0 HG22 VAL A 25 1.249 4.509 -1.767 1.00 0.84 H new ATOM 0 HG23 VAL A 25 0.989 5.812 -0.583 1.00 0.84 H new ATOM 61 N LEU A 26 -0.472 1.164 0.880 1.00 0.46 N ATOM 62 CA LEU A 26 -0.605 -0.004 1.731 1.00 0.57 C ATOM 63 C LEU A 26 0.529 -0.967 1.446 1.00 0.51 C ATOM 64 O LEU A 26 0.956 -1.105 0.303 1.00 0.58 O ATOM 65 CB LEU A 26 -1.945 -0.698 1.485 1.00 0.75 C ATOM 66 CG LEU A 26 -3.170 0.187 1.680 1.00 0.74 C ATOM 67 CD1 LEU A 26 -4.426 -0.547 1.253 1.00 1.17 C ATOM 68 CD2 LEU A 26 -3.274 0.630 3.129 1.00 1.00 C ATOM 0 H LEU A 26 -0.463 0.957 -0.119 1.00 0.46 H new ATOM 0 HA LEU A 26 -0.565 0.313 2.773 1.00 0.57 H new ATOM 0 HB2 LEU A 26 -1.954 -1.088 0.467 1.00 0.75 H new ATOM 0 HB3 LEU A 26 -2.023 -1.554 2.155 1.00 0.75 H new ATOM 0 HG LEU A 26 -3.063 1.074 1.055 1.00 0.74 H new ATOM 0 HD11 LEU A 26 -5.292 0.099 1.399 1.00 1.17 H new ATOM 0 HD12 LEU A 26 -4.349 -0.818 0.200 1.00 1.17 H new ATOM 0 HD13 LEU A 26 -4.542 -1.450 1.853 1.00 1.17 H new ATOM 0 HD21 LEU A 26 -4.153 1.262 3.254 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -3.362 -0.246 3.772 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -2.381 1.193 3.402 1.00 1.00 H new ATOM 80 N ILE A 27 1.027 -1.619 2.477 1.00 0.50 N ATOM 81 CA ILE A 27 2.108 -2.570 2.307 1.00 0.49 C ATOM 82 C ILE A 27 1.977 -3.721 3.299 1.00 0.51 C ATOM 83 O ILE A 27 2.160 -3.549 4.504 1.00 0.72 O ATOM 84 CB ILE A 27 3.494 -1.882 2.440 1.00 0.59 C ATOM 85 CG1 ILE A 27 4.621 -2.920 2.373 1.00 0.87 C ATOM 86 CG2 ILE A 27 3.581 -1.065 3.727 1.00 1.00 C ATOM 87 CD1 ILE A 27 6.010 -2.317 2.402 1.00 0.96 C ATOM 0 H ILE A 27 0.703 -1.509 3.438 1.00 0.50 H new ATOM 0 HA ILE A 27 2.036 -2.977 1.298 1.00 0.49 H new ATOM 0 HB ILE A 27 3.612 -1.195 1.602 1.00 0.59 H new ATOM 0 HG12 ILE A 27 4.517 -3.610 3.210 1.00 0.87 H new ATOM 0 HG13 ILE A 27 4.509 -3.506 1.461 1.00 0.87 H new ATOM 0 HG21 ILE A 27 4.562 -0.595 3.794 1.00 1.00 H new ATOM 0 HG22 ILE A 27 2.809 -0.295 3.722 1.00 1.00 H new ATOM 0 HG23 ILE A 27 3.434 -1.721 4.585 1.00 1.00 H new ATOM 0 HD11 ILE A 27 6.753 -3.113 2.351 1.00 0.96 H new ATOM 0 HD12 ILE A 27 6.135 -1.649 1.550 1.00 0.96 H new ATOM 0 HD13 ILE A 27 6.143 -1.755 3.326 1.00 0.96 H new ATOM 99 N TRP A 28 1.629 -4.896 2.793 1.00 0.45 N ATOM 100 CA TRP A 28 1.544 -6.068 3.642 1.00 0.48 C ATOM 101 C TRP A 28 2.830 -6.862 3.516 1.00 0.48 C ATOM 102 O TRP A 28 3.020 -7.630 2.568 1.00 0.49 O ATOM 103 CB TRP A 28 0.346 -6.945 3.249 1.00 0.56 C ATOM 104 CG TRP A 28 -0.075 -7.925 4.311 1.00 0.89 C ATOM 105 CD1 TRP A 28 -1.196 -7.844 5.084 1.00 1.53 C ATOM 106 CD2 TRP A 28 0.607 -9.123 4.723 1.00 1.15 C ATOM 107 NE1 TRP A 28 -1.257 -8.914 5.944 1.00 2.09 N ATOM 108 CE2 TRP A 28 -0.163 -9.709 5.745 1.00 1.83 C ATOM 109 CE3 TRP A 28 1.789 -9.758 4.330 1.00 1.19 C ATOM 110 CZ2 TRP A 28 0.211 -10.891 6.376 1.00 2.26 C ATOM 111 CZ3 TRP A 28 2.160 -10.930 4.957 1.00 1.61 C ATOM 112 CH2 TRP A 28 1.373 -11.486 5.971 1.00 2.06 C ATOM 0 H TRP A 28 1.404 -5.059 1.811 1.00 0.45 H new ATOM 0 HA TRP A 28 1.403 -5.748 4.674 1.00 0.48 H new ATOM 0 HB2 TRP A 28 -0.499 -6.300 3.010 1.00 0.56 H new ATOM 0 HB3 TRP A 28 0.594 -7.495 2.341 1.00 0.56 H new ATOM 0 HD1 TRP A 28 -1.930 -7.053 5.028 1.00 1.53 H new ATOM 0 HE1 TRP A 28 -1.999 -9.087 6.622 1.00 2.09 H new ATOM 0 HE3 TRP A 28 2.403 -9.337 3.547 1.00 1.19 H new ATOM 0 HZ2 TRP A 28 -0.395 -11.323 7.158 1.00 2.26 H new ATOM 0 HZ3 TRP A 28 3.072 -11.426 4.660 1.00 1.61 H new ATOM 0 HH2 TRP A 28 1.690 -12.404 6.443 1.00 2.06 H new ATOM 123 N SER A 29 3.736 -6.617 4.436 1.00 0.50 N ATOM 124 CA SER A 29 4.930 -7.417 4.566 1.00 0.54 C ATOM 125 C SER A 29 5.338 -7.493 6.026 1.00 0.60 C ATOM 126 O SER A 29 4.937 -6.650 6.830 1.00 0.87 O ATOM 127 CB SER A 29 6.061 -6.818 3.725 1.00 0.57 C ATOM 128 OG SER A 29 6.279 -5.458 4.058 1.00 1.29 O ATOM 0 H SER A 29 3.665 -5.858 5.114 1.00 0.50 H new ATOM 0 HA SER A 29 4.728 -8.425 4.203 1.00 0.54 H new ATOM 0 HB2 SER A 29 6.977 -7.386 3.885 1.00 0.57 H new ATOM 0 HB3 SER A 29 5.815 -6.901 2.666 1.00 0.57 H new ATOM 0 HG SER A 29 7.007 -5.099 3.509 1.00 1.29 H new ATOM 134 N ASN A 30 6.111 -8.500 6.380 1.00 0.65 N ATOM 135 CA ASN A 30 6.872 -8.434 7.611 1.00 0.69 C ATOM 136 C ASN A 30 8.340 -8.545 7.250 1.00 0.68 C ATOM 137 O ASN A 30 8.998 -9.552 7.494 1.00 0.75 O ATOM 138 CB ASN A 30 6.443 -9.531 8.604 1.00 0.81 C ATOM 139 CG ASN A 30 6.361 -10.917 7.989 1.00 1.55 C ATOM 140 OD1 ASN A 30 7.333 -11.673 7.987 1.00 2.33 O ATOM 141 ND2 ASN A 30 5.190 -11.274 7.483 1.00 2.23 N ATOM 0 H ASN A 30 6.228 -9.360 5.844 1.00 0.65 H new ATOM 0 HA ASN A 30 6.684 -7.487 8.116 1.00 0.69 H new ATOM 0 HB2 ASN A 30 7.149 -9.553 9.434 1.00 0.81 H new ATOM 0 HB3 ASN A 30 5.470 -9.270 9.021 1.00 0.81 H new ATOM 0 HD21 ASN A 30 5.072 -12.201 7.075 1.00 2.23 H new ATOM 0 HD22 ASN A 30 4.406 -10.622 7.502 1.00 2.23 H new ATOM 148 N ASP A 31 8.835 -7.478 6.648 1.00 0.63 N ATOM 149 CA ASP A 31 10.211 -7.406 6.206 1.00 0.64 C ATOM 150 C ASP A 31 10.942 -6.309 6.958 1.00 0.65 C ATOM 151 O ASP A 31 10.324 -5.373 7.463 1.00 0.78 O ATOM 152 CB ASP A 31 10.271 -7.155 4.702 1.00 0.67 C ATOM 153 CG ASP A 31 11.663 -7.343 4.137 1.00 0.72 C ATOM 154 OD1 ASP A 31 12.037 -8.496 3.843 1.00 1.45 O ATOM 155 OD2 ASP A 31 12.393 -6.343 3.990 1.00 1.13 O ATOM 0 H ASP A 31 8.291 -6.637 6.453 1.00 0.63 H new ATOM 0 HA ASP A 31 10.699 -8.358 6.416 1.00 0.64 H new ATOM 0 HB2 ASP A 31 9.583 -7.832 4.196 1.00 0.67 H new ATOM 0 HB3 ASP A 31 9.931 -6.141 4.493 1.00 0.67 H new ATOM 160 N LYS A 32 12.252 -6.418 7.020 1.00 0.69 N ATOM 161 CA LYS A 32 13.066 -5.422 7.693 1.00 0.77 C ATOM 162 C LYS A 32 13.310 -4.210 6.792 1.00 0.71 C ATOM 163 O LYS A 32 13.199 -3.069 7.232 1.00 0.77 O ATOM 164 CB LYS A 32 14.405 -6.026 8.137 1.00 0.97 C ATOM 165 CG LYS A 32 14.326 -6.912 9.381 1.00 1.52 C ATOM 166 CD LYS A 32 13.477 -8.162 9.176 1.00 2.06 C ATOM 167 CE LYS A 32 13.950 -8.976 7.981 1.00 2.28 C ATOM 168 NZ LYS A 32 13.323 -10.324 7.934 1.00 3.05 N ATOM 0 H LYS A 32 12.780 -7.189 6.611 1.00 0.69 H new ATOM 0 HA LYS A 32 12.521 -5.089 8.576 1.00 0.77 H new ATOM 0 HB2 LYS A 32 14.813 -6.613 7.315 1.00 0.97 H new ATOM 0 HB3 LYS A 32 15.108 -5.215 8.329 1.00 0.97 H new ATOM 0 HG2 LYS A 32 15.334 -7.209 9.672 1.00 1.52 H new ATOM 0 HG3 LYS A 32 13.914 -6.332 10.207 1.00 1.52 H new ATOM 0 HD2 LYS A 32 13.515 -8.779 10.074 1.00 2.06 H new ATOM 0 HD3 LYS A 32 12.436 -7.874 9.031 1.00 2.06 H new ATOM 0 HE2 LYS A 32 13.718 -8.437 7.062 1.00 2.28 H new ATOM 0 HE3 LYS A 32 15.034 -9.083 8.023 1.00 2.28 H new ATOM 0 HZ1 LYS A 32 13.675 -10.842 7.104 1.00 3.05 H new ATOM 0 HZ2 LYS A 32 13.565 -10.850 8.798 1.00 3.05 H new ATOM 0 HZ3 LYS A 32 12.290 -10.224 7.867 1.00 3.05 H new ATOM 182 N LYS A 33 13.615 -4.463 5.524 1.00 0.71 N ATOM 183 CA LYS A 33 14.023 -3.401 4.608 1.00 0.75 C ATOM 184 C LYS A 33 12.826 -2.808 3.875 1.00 0.64 C ATOM 185 O LYS A 33 12.707 -1.586 3.766 1.00 0.63 O ATOM 186 CB LYS A 33 15.050 -3.914 3.590 1.00 0.94 C ATOM 187 CG LYS A 33 16.464 -4.097 4.137 1.00 1.55 C ATOM 188 CD LYS A 33 16.543 -5.187 5.194 1.00 2.09 C ATOM 189 CE LYS A 33 17.983 -5.506 5.568 1.00 2.72 C ATOM 190 NZ LYS A 33 18.688 -4.332 6.144 1.00 3.16 N ATOM 0 H LYS A 33 13.588 -5.393 5.106 1.00 0.71 H new ATOM 0 HA LYS A 33 14.484 -2.618 5.211 1.00 0.75 H new ATOM 0 HB2 LYS A 33 14.703 -4.869 3.196 1.00 0.94 H new ATOM 0 HB3 LYS A 33 15.088 -3.218 2.752 1.00 0.94 H new ATOM 0 HG2 LYS A 33 17.139 -4.341 3.317 1.00 1.55 H new ATOM 0 HG3 LYS A 33 16.810 -3.156 4.564 1.00 1.55 H new ATOM 0 HD2 LYS A 33 15.998 -4.871 6.083 1.00 2.09 H new ATOM 0 HD3 LYS A 33 16.055 -6.089 4.824 1.00 2.09 H new ATOM 0 HE2 LYS A 33 17.997 -6.324 6.288 1.00 2.72 H new ATOM 0 HE3 LYS A 33 18.518 -5.851 4.683 1.00 2.72 H new ATOM 0 HZ1 LYS A 33 19.630 -4.622 6.477 1.00 3.16 H new ATOM 0 HZ2 LYS A 33 18.789 -3.596 5.416 1.00 3.16 H new ATOM 0 HZ3 LYS A 33 18.139 -3.955 6.943 1.00 3.16 H new ATOM 204 N LEU A 34 11.943 -3.677 3.372 1.00 0.62 N ATOM 205 CA LEU A 34 10.769 -3.226 2.621 1.00 0.61 C ATOM 206 C LEU A 34 9.962 -2.214 3.421 1.00 0.54 C ATOM 207 O LEU A 34 9.644 -1.138 2.925 1.00 0.61 O ATOM 208 CB LEU A 34 9.856 -4.400 2.230 1.00 0.66 C ATOM 209 CG LEU A 34 10.127 -5.062 0.859 1.00 0.80 C ATOM 210 CD1 LEU A 34 9.989 -4.048 -0.264 1.00 1.22 C ATOM 211 CD2 LEU A 34 11.501 -5.711 0.816 1.00 1.59 C ATOM 0 H LEU A 34 12.019 -4.689 3.471 1.00 0.62 H new ATOM 0 HA LEU A 34 11.143 -2.755 1.712 1.00 0.61 H new ATOM 0 HB2 LEU A 34 9.938 -5.167 3.001 1.00 0.66 H new ATOM 0 HB3 LEU A 34 8.825 -4.047 2.240 1.00 0.66 H new ATOM 0 HG LEU A 34 9.381 -5.844 0.720 1.00 0.80 H new ATOM 0 HD11 LEU A 34 10.184 -4.535 -1.220 1.00 1.22 H new ATOM 0 HD12 LEU A 34 8.978 -3.640 -0.264 1.00 1.22 H new ATOM 0 HD13 LEU A 34 10.706 -3.241 -0.115 1.00 1.22 H new ATOM 0 HD21 LEU A 34 11.658 -6.166 -0.162 1.00 1.59 H new ATOM 0 HD22 LEU A 34 12.266 -4.955 0.991 1.00 1.59 H new ATOM 0 HD23 LEU A 34 11.565 -6.478 1.588 1.00 1.59 H new ATOM 223 N ILE A 35 9.650 -2.554 4.667 1.00 0.48 N ATOM 224 CA ILE A 35 8.835 -1.680 5.503 1.00 0.49 C ATOM 225 C ILE A 35 9.596 -0.406 5.867 1.00 0.48 C ATOM 226 O ILE A 35 9.044 0.695 5.805 1.00 0.53 O ATOM 227 CB ILE A 35 8.380 -2.390 6.798 1.00 0.55 C ATOM 228 CG1 ILE A 35 7.560 -3.638 6.465 1.00 0.61 C ATOM 229 CG2 ILE A 35 7.569 -1.441 7.673 1.00 0.64 C ATOM 230 CD1 ILE A 35 7.126 -4.416 7.688 1.00 1.01 C ATOM 0 H ILE A 35 9.946 -3.420 5.117 1.00 0.48 H new ATOM 0 HA ILE A 35 7.952 -1.419 4.920 1.00 0.49 H new ATOM 0 HB ILE A 35 9.268 -2.696 7.351 1.00 0.55 H new ATOM 0 HG12 ILE A 35 6.677 -3.343 5.899 1.00 0.61 H new ATOM 0 HG13 ILE A 35 8.149 -4.289 5.819 1.00 0.61 H new ATOM 0 HG21 ILE A 35 7.258 -1.959 8.580 1.00 0.64 H new ATOM 0 HG22 ILE A 35 8.181 -0.579 7.939 1.00 0.64 H new ATOM 0 HG23 ILE A 35 6.688 -1.105 7.126 1.00 0.64 H new ATOM 0 HD11 ILE A 35 6.549 -5.288 7.379 1.00 1.01 H new ATOM 0 HD12 ILE A 35 8.006 -4.741 8.243 1.00 1.01 H new ATOM 0 HD13 ILE A 35 6.510 -3.780 8.324 1.00 1.01 H new ATOM 242 N GLU A 36 10.866 -0.564 6.218 1.00 0.50 N ATOM 243 CA GLU A 36 11.690 0.554 6.662 1.00 0.53 C ATOM 244 C GLU A 36 11.807 1.626 5.581 1.00 0.48 C ATOM 245 O GLU A 36 11.496 2.795 5.816 1.00 0.51 O ATOM 246 CB GLU A 36 13.080 0.052 7.049 1.00 0.66 C ATOM 247 CG GLU A 36 13.996 1.132 7.598 1.00 1.22 C ATOM 248 CD GLU A 36 13.505 1.709 8.909 1.00 1.73 C ATOM 249 OE1 GLU A 36 13.790 1.110 9.968 1.00 2.62 O ATOM 250 OE2 GLU A 36 12.847 2.771 8.893 1.00 2.01 O ATOM 0 H GLU A 36 11.351 -1.461 6.204 1.00 0.50 H new ATOM 0 HA GLU A 36 11.208 1.004 7.530 1.00 0.53 H new ATOM 0 HB2 GLU A 36 12.976 -0.736 7.795 1.00 0.66 H new ATOM 0 HB3 GLU A 36 13.549 -0.398 6.174 1.00 0.66 H new ATOM 0 HG2 GLU A 36 14.994 0.717 7.740 1.00 1.22 H new ATOM 0 HG3 GLU A 36 14.085 1.933 6.865 1.00 1.22 H new ATOM 257 N GLU A 37 12.237 1.225 4.393 1.00 0.48 N ATOM 258 CA GLU A 37 12.461 2.171 3.311 1.00 0.51 C ATOM 259 C GLU A 37 11.146 2.706 2.753 1.00 0.44 C ATOM 260 O GLU A 37 11.106 3.801 2.191 1.00 0.48 O ATOM 261 CB GLU A 37 13.295 1.533 2.201 1.00 0.65 C ATOM 262 CG GLU A 37 14.736 1.269 2.608 1.00 0.80 C ATOM 263 CD GLU A 37 15.439 2.521 3.095 1.00 0.91 C ATOM 264 OE1 GLU A 37 15.672 3.436 2.277 1.00 1.61 O ATOM 265 OE2 GLU A 37 15.766 2.598 4.298 1.00 1.55 O ATOM 0 H GLU A 37 12.437 0.254 4.155 1.00 0.48 H new ATOM 0 HA GLU A 37 13.015 3.015 3.721 1.00 0.51 H new ATOM 0 HB2 GLU A 37 12.831 0.593 1.902 1.00 0.65 H new ATOM 0 HB3 GLU A 37 13.285 2.185 1.328 1.00 0.65 H new ATOM 0 HG2 GLU A 37 14.756 0.515 3.395 1.00 0.80 H new ATOM 0 HG3 GLU A 37 15.281 0.857 1.758 1.00 0.80 H new ATOM 272 N ALA A 38 10.071 1.947 2.924 1.00 0.40 N ATOM 273 CA ALA A 38 8.763 2.375 2.452 1.00 0.42 C ATOM 274 C ALA A 38 8.209 3.503 3.315 1.00 0.39 C ATOM 275 O ALA A 38 7.833 4.555 2.802 1.00 0.42 O ATOM 276 CB ALA A 38 7.791 1.206 2.425 1.00 0.50 C ATOM 0 H ALA A 38 10.080 1.037 3.384 1.00 0.40 H new ATOM 0 HA ALA A 38 8.884 2.751 1.436 1.00 0.42 H new ATOM 0 HB1 ALA A 38 6.819 1.549 2.069 1.00 0.50 H new ATOM 0 HB2 ALA A 38 8.170 0.433 1.757 1.00 0.50 H new ATOM 0 HB3 ALA A 38 7.686 0.797 3.430 1.00 0.50 H new ATOM 282 N ARG A 39 8.183 3.290 4.630 1.00 0.41 N ATOM 283 CA ARG A 39 7.582 4.254 5.553 1.00 0.50 C ATOM 284 C ARG A 39 8.294 5.606 5.506 1.00 0.46 C ATOM 285 O ARG A 39 7.655 6.652 5.606 1.00 0.52 O ATOM 286 CB ARG A 39 7.574 3.716 6.990 1.00 0.62 C ATOM 287 CG ARG A 39 8.947 3.332 7.514 1.00 1.18 C ATOM 288 CD ARG A 39 8.919 3.012 9.000 1.00 1.43 C ATOM 289 NE ARG A 39 7.923 1.998 9.336 1.00 1.88 N ATOM 290 CZ ARG A 39 8.048 1.141 10.347 1.00 2.58 C ATOM 291 NH1 ARG A 39 9.141 1.151 11.105 1.00 2.84 N ATOM 292 NH2 ARG A 39 7.076 0.277 10.604 1.00 3.48 N ATOM 0 H ARG A 39 8.570 2.461 5.080 1.00 0.41 H new ATOM 0 HA ARG A 39 6.552 4.402 5.228 1.00 0.50 H new ATOM 0 HB2 ARG A 39 7.144 4.472 7.647 1.00 0.62 H new ATOM 0 HB3 ARG A 39 6.922 2.844 7.037 1.00 0.62 H new ATOM 0 HG2 ARG A 39 9.316 2.467 6.963 1.00 1.18 H new ATOM 0 HG3 ARG A 39 9.646 4.148 7.332 1.00 1.18 H new ATOM 0 HD2 ARG A 39 9.904 2.666 9.312 1.00 1.43 H new ATOM 0 HD3 ARG A 39 8.709 3.923 9.560 1.00 1.43 H new ATOM 0 HE ARG A 39 7.082 1.943 8.762 1.00 1.88 H new ATOM 0 HH11 ARG A 39 9.889 1.818 10.913 1.00 2.84 H new ATOM 0 HH12 ARG A 39 9.231 0.492 11.878 1.00 2.84 H new ATOM 0 HH21 ARG A 39 6.235 0.270 10.028 1.00 3.48 H new ATOM 0 HH22 ARG A 39 7.170 -0.381 11.378 1.00 3.48 H new ATOM 306 N LYS A 40 9.610 5.586 5.344 1.00 0.45 N ATOM 307 CA LYS A 40 10.382 6.824 5.308 1.00 0.49 C ATOM 308 C LYS A 40 10.187 7.547 3.978 1.00 0.42 C ATOM 309 O LYS A 40 10.158 8.777 3.932 1.00 0.47 O ATOM 310 CB LYS A 40 11.866 6.551 5.560 1.00 0.62 C ATOM 311 CG LYS A 40 12.497 5.596 4.563 1.00 1.06 C ATOM 312 CD LYS A 40 13.957 5.328 4.885 1.00 1.58 C ATOM 313 CE LYS A 40 14.120 4.673 6.248 1.00 2.12 C ATOM 314 NZ LYS A 40 15.501 4.170 6.461 1.00 2.95 N ATOM 0 H LYS A 40 10.163 4.736 5.236 1.00 0.45 H new ATOM 0 HA LYS A 40 10.016 7.471 6.105 1.00 0.49 H new ATOM 0 HB2 LYS A 40 12.408 7.496 5.535 1.00 0.62 H new ATOM 0 HB3 LYS A 40 11.984 6.142 6.564 1.00 0.62 H new ATOM 0 HG2 LYS A 40 11.946 4.655 4.562 1.00 1.06 H new ATOM 0 HG3 LYS A 40 12.417 6.013 3.559 1.00 1.06 H new ATOM 0 HD2 LYS A 40 14.387 4.684 4.118 1.00 1.58 H new ATOM 0 HD3 LYS A 40 14.513 6.265 4.863 1.00 1.58 H new ATOM 0 HE2 LYS A 40 13.872 5.393 7.028 1.00 2.12 H new ATOM 0 HE3 LYS A 40 13.415 3.847 6.340 1.00 2.12 H new ATOM 0 HZ1 LYS A 40 15.518 3.545 7.292 1.00 2.95 H new ATOM 0 HZ2 LYS A 40 15.810 3.639 5.622 1.00 2.95 H new ATOM 0 HZ3 LYS A 40 16.143 4.973 6.619 1.00 2.95 H new ATOM 328 N MET A 41 10.030 6.779 2.903 1.00 0.39 N ATOM 329 CA MET A 41 9.802 7.356 1.584 1.00 0.41 C ATOM 330 C MET A 41 8.390 7.924 1.515 1.00 0.42 C ATOM 331 O MET A 41 8.152 8.972 0.915 1.00 0.52 O ATOM 332 CB MET A 41 9.996 6.301 0.493 1.00 0.48 C ATOM 333 CG MET A 41 10.263 6.890 -0.883 1.00 0.69 C ATOM 334 SD MET A 41 11.870 7.701 -0.978 1.00 1.10 S ATOM 335 CE MET A 41 11.880 8.232 -2.689 1.00 1.55 C ATOM 0 H MET A 41 10.057 5.759 2.920 1.00 0.39 H new ATOM 0 HA MET A 41 10.524 8.156 1.420 1.00 0.41 H new ATOM 0 HB2 MET A 41 10.828 5.653 0.769 1.00 0.48 H new ATOM 0 HB3 MET A 41 9.106 5.673 0.444 1.00 0.48 H new ATOM 0 HG2 MET A 41 10.213 6.099 -1.631 1.00 0.69 H new ATOM 0 HG3 MET A 41 9.481 7.609 -1.127 1.00 0.69 H new ATOM 0 HE1 MET A 41 12.798 8.783 -2.894 1.00 1.55 H new ATOM 0 HE2 MET A 41 11.827 7.360 -3.341 1.00 1.55 H new ATOM 0 HE3 MET A 41 11.021 8.877 -2.875 1.00 1.55 H new ATOM 345 N ALA A 42 7.461 7.218 2.151 1.00 0.40 N ATOM 346 CA ALA A 42 6.085 7.674 2.261 1.00 0.49 C ATOM 347 C ALA A 42 6.019 8.980 3.037 1.00 0.51 C ATOM 348 O ALA A 42 5.329 9.914 2.639 1.00 0.59 O ATOM 349 CB ALA A 42 5.232 6.610 2.938 1.00 0.58 C ATOM 0 H ALA A 42 7.641 6.320 2.601 1.00 0.40 H new ATOM 0 HA ALA A 42 5.694 7.849 1.259 1.00 0.49 H new ATOM 0 HB1 ALA A 42 4.204 6.963 3.015 1.00 0.58 H new ATOM 0 HB2 ALA A 42 5.258 5.693 2.349 1.00 0.58 H new ATOM 0 HB3 ALA A 42 5.623 6.411 3.936 1.00 0.58 H new ATOM 355 N GLU A 43 6.766 9.041 4.131 1.00 0.50 N ATOM 356 CA GLU A 43 6.835 10.238 4.960 1.00 0.60 C ATOM 357 C GLU A 43 7.392 11.413 4.157 1.00 0.62 C ATOM 358 O GLU A 43 7.020 12.567 4.374 1.00 0.73 O ATOM 359 CB GLU A 43 7.722 9.962 6.177 1.00 0.67 C ATOM 360 CG GLU A 43 7.767 11.097 7.185 1.00 0.97 C ATOM 361 CD GLU A 43 8.725 10.817 8.322 1.00 1.62 C ATOM 362 OE1 GLU A 43 8.281 10.303 9.371 1.00 2.16 O ATOM 363 OE2 GLU A 43 9.930 11.100 8.169 1.00 2.38 O ATOM 0 H GLU A 43 7.339 8.267 4.468 1.00 0.50 H new ATOM 0 HA GLU A 43 5.831 10.499 5.295 1.00 0.60 H new ATOM 0 HB2 GLU A 43 7.364 9.062 6.676 1.00 0.67 H new ATOM 0 HB3 GLU A 43 8.736 9.755 5.834 1.00 0.67 H new ATOM 0 HG2 GLU A 43 8.064 12.016 6.681 1.00 0.97 H new ATOM 0 HG3 GLU A 43 6.768 11.263 7.587 1.00 0.97 H new ATOM 370 N LYS A 44 8.270 11.098 3.216 1.00 0.58 N ATOM 371 CA LYS A 44 8.934 12.102 2.407 1.00 0.66 C ATOM 372 C LYS A 44 7.968 12.761 1.422 1.00 0.66 C ATOM 373 O LYS A 44 7.873 13.984 1.362 1.00 0.70 O ATOM 374 CB LYS A 44 10.100 11.461 1.651 1.00 0.76 C ATOM 375 CG LYS A 44 10.883 12.436 0.794 1.00 1.29 C ATOM 376 CD LYS A 44 11.543 13.508 1.638 1.00 1.69 C ATOM 377 CE LYS A 44 12.222 14.546 0.769 1.00 2.09 C ATOM 378 NZ LYS A 44 12.914 15.582 1.579 1.00 2.20 N ATOM 0 H LYS A 44 8.540 10.140 2.994 1.00 0.58 H new ATOM 0 HA LYS A 44 9.309 12.880 3.071 1.00 0.66 H new ATOM 0 HB2 LYS A 44 10.777 10.999 2.370 1.00 0.76 H new ATOM 0 HB3 LYS A 44 9.715 10.663 1.017 1.00 0.76 H new ATOM 0 HG2 LYS A 44 11.643 11.897 0.229 1.00 1.29 H new ATOM 0 HG3 LYS A 44 10.216 12.901 0.068 1.00 1.29 H new ATOM 0 HD2 LYS A 44 10.796 13.990 2.269 1.00 1.69 H new ATOM 0 HD3 LYS A 44 12.275 13.051 2.304 1.00 1.69 H new ATOM 0 HE2 LYS A 44 12.943 14.056 0.115 1.00 2.09 H new ATOM 0 HE3 LYS A 44 11.481 15.022 0.127 1.00 2.09 H new ATOM 0 HZ1 LYS A 44 13.366 16.273 0.946 1.00 2.20 H new ATOM 0 HZ2 LYS A 44 12.223 16.068 2.185 1.00 2.20 H new ATOM 0 HZ3 LYS A 44 13.639 15.131 2.173 1.00 2.20 H new ATOM 392 N ALA A 45 7.249 11.950 0.656 1.00 0.67 N ATOM 393 CA ALA A 45 6.385 12.478 -0.397 1.00 0.74 C ATOM 394 C ALA A 45 4.944 12.652 0.078 1.00 0.73 C ATOM 395 O ALA A 45 4.053 12.972 -0.712 1.00 0.81 O ATOM 396 CB ALA A 45 6.443 11.583 -1.624 1.00 0.82 C ATOM 0 H ALA A 45 7.245 10.934 0.741 1.00 0.67 H new ATOM 0 HA ALA A 45 6.757 13.468 -0.663 1.00 0.74 H new ATOM 0 HB1 ALA A 45 5.795 11.988 -2.401 1.00 0.82 H new ATOM 0 HB2 ALA A 45 7.467 11.538 -1.993 1.00 0.82 H new ATOM 0 HB3 ALA A 45 6.109 10.580 -1.359 1.00 0.82 H new ATOM 402 N ASN A 46 4.732 12.419 1.372 1.00 0.69 N ATOM 403 CA ASN A 46 3.434 12.616 2.027 1.00 0.72 C ATOM 404 C ASN A 46 2.428 11.567 1.566 1.00 0.67 C ATOM 405 O ASN A 46 1.471 11.859 0.848 1.00 0.84 O ATOM 406 CB ASN A 46 2.890 14.036 1.793 1.00 0.87 C ATOM 407 CG ASN A 46 1.652 14.334 2.626 1.00 1.46 C ATOM 408 OD1 ASN A 46 0.518 14.169 2.169 1.00 2.13 O ATOM 409 ND2 ASN A 46 1.861 14.780 3.856 1.00 2.13 N ATOM 0 H ASN A 46 5.460 12.085 2.003 1.00 0.69 H new ATOM 0 HA ASN A 46 3.587 12.496 3.100 1.00 0.72 H new ATOM 0 HB2 ASN A 46 3.667 14.762 2.031 1.00 0.87 H new ATOM 0 HB3 ASN A 46 2.651 14.160 0.737 1.00 0.87 H new ATOM 0 HD21 ASN A 46 1.069 15.000 4.460 1.00 2.13 H new ATOM 0 HD22 ASN A 46 2.814 14.904 4.199 1.00 2.13 H new ATOM 416 N LEU A 47 2.672 10.337 1.977 1.00 0.51 N ATOM 417 CA LEU A 47 1.790 9.226 1.666 1.00 0.51 C ATOM 418 C LEU A 47 1.133 8.712 2.936 1.00 0.46 C ATOM 419 O LEU A 47 1.759 8.676 3.993 1.00 0.56 O ATOM 420 CB LEU A 47 2.565 8.076 1.009 1.00 0.58 C ATOM 421 CG LEU A 47 2.913 8.231 -0.475 1.00 0.69 C ATOM 422 CD1 LEU A 47 1.669 8.512 -1.291 1.00 1.00 C ATOM 423 CD2 LEU A 47 3.952 9.313 -0.700 1.00 1.18 C ATOM 0 H LEU A 47 3.486 10.079 2.535 1.00 0.51 H new ATOM 0 HA LEU A 47 1.031 9.586 0.972 1.00 0.51 H new ATOM 0 HB2 LEU A 47 3.494 7.934 1.562 1.00 0.58 H new ATOM 0 HB3 LEU A 47 1.981 7.163 1.127 1.00 0.58 H new ATOM 0 HG LEU A 47 3.344 7.287 -0.808 1.00 0.69 H new ATOM 0 HD11 LEU A 47 1.939 8.618 -2.342 1.00 1.00 H new ATOM 0 HD12 LEU A 47 0.966 7.686 -1.179 1.00 1.00 H new ATOM 0 HD13 LEU A 47 1.205 9.434 -0.941 1.00 1.00 H new ATOM 0 HD21 LEU A 47 4.171 9.391 -1.765 1.00 1.18 H new ATOM 0 HD22 LEU A 47 3.569 10.267 -0.337 1.00 1.18 H new ATOM 0 HD23 LEU A 47 4.864 9.060 -0.160 1.00 1.18 H new ATOM 435 N TYR A 48 -0.126 8.321 2.838 1.00 0.49 N ATOM 436 CA TYR A 48 -0.793 7.662 3.949 1.00 0.54 C ATOM 437 C TYR A 48 -0.485 6.173 3.889 1.00 0.46 C ATOM 438 O TYR A 48 -1.219 5.410 3.269 1.00 0.58 O ATOM 439 CB TYR A 48 -2.309 7.886 3.893 1.00 0.64 C ATOM 440 CG TYR A 48 -2.719 9.339 3.971 1.00 0.77 C ATOM 441 CD1 TYR A 48 -2.845 10.107 2.821 1.00 1.51 C ATOM 442 CD2 TYR A 48 -2.980 9.940 5.194 1.00 1.31 C ATOM 443 CE1 TYR A 48 -3.217 11.432 2.887 1.00 1.61 C ATOM 444 CE2 TYR A 48 -3.355 11.267 5.268 1.00 1.43 C ATOM 445 CZ TYR A 48 -3.470 12.009 4.112 1.00 1.09 C ATOM 446 OH TYR A 48 -3.840 13.332 4.179 1.00 1.28 O ATOM 0 H TYR A 48 -0.704 8.447 2.007 1.00 0.49 H new ATOM 0 HA TYR A 48 -0.428 8.084 4.885 1.00 0.54 H new ATOM 0 HB2 TYR A 48 -2.695 7.459 2.967 1.00 0.64 H new ATOM 0 HB3 TYR A 48 -2.777 7.342 4.714 1.00 0.64 H new ATOM 0 HD1 TYR A 48 -2.648 9.658 1.859 1.00 1.51 H new ATOM 0 HD2 TYR A 48 -2.889 9.362 6.101 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -3.310 12.015 1.983 1.00 1.61 H new ATOM 0 HE2 TYR A 48 -3.557 11.721 6.227 1.00 1.43 H new ATOM 0 HH TYR A 48 -3.983 13.585 5.115 1.00 1.28 H new ATOM 456 N LEU A 49 0.608 5.770 4.517 1.00 0.46 N ATOM 457 CA LEU A 49 1.064 4.390 4.432 1.00 0.46 C ATOM 458 C LEU A 49 0.656 3.606 5.669 1.00 0.50 C ATOM 459 O LEU A 49 0.937 4.009 6.800 1.00 0.61 O ATOM 460 CB LEU A 49 2.586 4.342 4.227 1.00 0.66 C ATOM 461 CG LEU A 49 3.199 2.944 4.063 1.00 0.81 C ATOM 462 CD1 LEU A 49 4.350 2.984 3.073 1.00 1.76 C ATOM 463 CD2 LEU A 49 3.689 2.410 5.403 1.00 1.35 C ATOM 0 H LEU A 49 1.195 6.376 5.090 1.00 0.46 H new ATOM 0 HA LEU A 49 0.587 3.922 3.571 1.00 0.46 H new ATOM 0 HB2 LEU A 49 2.832 4.931 3.344 1.00 0.66 H new ATOM 0 HB3 LEU A 49 3.063 4.829 5.078 1.00 0.66 H new ATOM 0 HG LEU A 49 2.425 2.277 3.683 1.00 0.81 H new ATOM 0 HD11 LEU A 49 4.774 1.985 2.968 1.00 1.76 H new ATOM 0 HD12 LEU A 49 3.985 3.327 2.105 1.00 1.76 H new ATOM 0 HD13 LEU A 49 5.118 3.668 3.435 1.00 1.76 H new ATOM 0 HD21 LEU A 49 4.120 1.418 5.264 1.00 1.35 H new ATOM 0 HD22 LEU A 49 4.447 3.081 5.807 1.00 1.35 H new ATOM 0 HD23 LEU A 49 2.852 2.348 6.098 1.00 1.35 H new ATOM 475 N LEU A 50 -0.019 2.492 5.443 1.00 0.52 N ATOM 476 CA LEU A 50 -0.453 1.626 6.524 1.00 0.63 C ATOM 477 C LEU A 50 0.203 0.254 6.415 1.00 0.69 C ATOM 478 O LEU A 50 0.182 -0.376 5.354 1.00 0.69 O ATOM 479 CB LEU A 50 -1.978 1.460 6.527 1.00 0.77 C ATOM 480 CG LEU A 50 -2.801 2.718 6.830 1.00 0.81 C ATOM 481 CD1 LEU A 50 -2.916 3.615 5.606 1.00 1.24 C ATOM 482 CD2 LEU A 50 -4.178 2.323 7.334 1.00 1.48 C ATOM 0 H LEU A 50 -0.280 2.165 4.513 1.00 0.52 H new ATOM 0 HA LEU A 50 -0.149 2.098 7.458 1.00 0.63 H new ATOM 0 HB2 LEU A 50 -2.282 1.080 5.552 1.00 0.77 H new ATOM 0 HB3 LEU A 50 -2.237 0.697 7.261 1.00 0.77 H new ATOM 0 HG LEU A 50 -2.286 3.286 7.605 1.00 0.81 H new ATOM 0 HD11 LEU A 50 -3.505 4.497 5.856 1.00 1.24 H new ATOM 0 HD12 LEU A 50 -1.921 3.922 5.285 1.00 1.24 H new ATOM 0 HD13 LEU A 50 -3.405 3.069 4.799 1.00 1.24 H new ATOM 0 HD21 LEU A 50 -4.758 3.220 7.548 1.00 1.48 H new ATOM 0 HD22 LEU A 50 -4.689 1.733 6.573 1.00 1.48 H new ATOM 0 HD23 LEU A 50 -4.077 1.731 8.244 1.00 1.48 H new ATOM 494 N THR A 51 0.798 -0.191 7.508 1.00 0.85 N ATOM 495 CA THR A 51 1.292 -1.555 7.613 1.00 1.00 C ATOM 496 C THR A 51 0.367 -2.331 8.542 1.00 1.38 C ATOM 497 O THR A 51 0.416 -2.172 9.764 1.00 2.04 O ATOM 498 CB THR A 51 2.744 -1.607 8.142 1.00 1.42 C ATOM 499 OG1 THR A 51 3.567 -0.685 7.408 1.00 1.86 O ATOM 500 CG2 THR A 51 3.319 -3.009 8.011 1.00 2.07 C ATOM 0 H THR A 51 0.952 0.376 8.342 1.00 0.85 H new ATOM 0 HA THR A 51 1.301 -2.001 6.619 1.00 1.00 H new ATOM 0 HB THR A 51 2.731 -1.330 9.196 1.00 1.42 H new ATOM 0 HG1 THR A 51 4.485 -0.722 7.750 1.00 1.86 H new ATOM 0 HG21 THR A 51 4.341 -3.020 8.390 1.00 2.07 H new ATOM 0 HG22 THR A 51 2.711 -3.707 8.587 1.00 2.07 H new ATOM 0 HG23 THR A 51 3.317 -3.306 6.962 1.00 2.07 H new ATOM 508 N LEU A 52 -0.494 -3.146 7.956 1.00 1.17 N ATOM 509 CA LEU A 52 -1.596 -3.749 8.690 1.00 1.66 C ATOM 510 C LEU A 52 -1.966 -5.101 8.100 1.00 1.10 C ATOM 511 O LEU A 52 -1.526 -5.453 7.008 1.00 1.25 O ATOM 512 CB LEU A 52 -2.835 -2.796 8.684 1.00 2.63 C ATOM 513 CG LEU A 52 -3.528 -2.482 7.321 1.00 2.95 C ATOM 514 CD1 LEU A 52 -2.550 -1.982 6.271 1.00 3.41 C ATOM 515 CD2 LEU A 52 -4.300 -3.675 6.778 1.00 3.43 C ATOM 0 H LEU A 52 -0.451 -3.407 6.971 1.00 1.17 H new ATOM 0 HA LEU A 52 -1.276 -3.904 9.720 1.00 1.66 H new ATOM 0 HB2 LEU A 52 -3.586 -3.226 9.346 1.00 2.63 H new ATOM 0 HB3 LEU A 52 -2.526 -1.848 9.125 1.00 2.63 H new ATOM 0 HG LEU A 52 -4.236 -1.681 7.534 1.00 2.95 H new ATOM 0 HD11 LEU A 52 -3.085 -1.779 5.343 1.00 3.41 H new ATOM 0 HD12 LEU A 52 -2.074 -1.067 6.623 1.00 3.41 H new ATOM 0 HD13 LEU A 52 -1.788 -2.741 6.092 1.00 3.41 H new ATOM 0 HD21 LEU A 52 -4.764 -3.407 5.829 1.00 3.43 H new ATOM 0 HD22 LEU A 52 -3.617 -4.511 6.625 1.00 3.43 H new ATOM 0 HD23 LEU A 52 -5.073 -3.963 7.491 1.00 3.43 H new ATOM 527 N GLU A 53 -2.774 -5.852 8.838 1.00 1.35 N ATOM 528 CA GLU A 53 -3.373 -7.066 8.310 1.00 1.60 C ATOM 529 C GLU A 53 -4.895 -7.035 8.485 1.00 1.84 C ATOM 530 O GLU A 53 -5.610 -7.874 7.935 1.00 2.34 O ATOM 531 CB GLU A 53 -2.738 -8.327 8.938 1.00 2.04 C ATOM 532 CG GLU A 53 -2.447 -8.229 10.426 1.00 2.24 C ATOM 533 CD GLU A 53 -3.684 -8.363 11.281 1.00 2.43 C ATOM 534 OE1 GLU A 53 -4.330 -9.431 11.235 1.00 2.97 O ATOM 535 OE2 GLU A 53 -3.996 -7.412 12.023 1.00 2.75 O ATOM 0 H GLU A 53 -3.028 -5.640 9.803 1.00 1.35 H new ATOM 0 HA GLU A 53 -3.167 -7.114 7.241 1.00 1.60 H new ATOM 0 HB2 GLU A 53 -3.404 -9.173 8.769 1.00 2.04 H new ATOM 0 HB3 GLU A 53 -1.807 -8.545 8.415 1.00 2.04 H new ATOM 0 HG2 GLU A 53 -1.735 -9.007 10.703 1.00 2.24 H new ATOM 0 HG3 GLU A 53 -1.970 -7.271 10.635 1.00 2.24 H new ATOM 542 N THR A 54 -5.384 -6.060 9.248 1.00 1.76 N ATOM 543 CA THR A 54 -6.814 -5.785 9.313 1.00 1.96 C ATOM 544 C THR A 54 -7.128 -4.573 8.442 1.00 1.44 C ATOM 545 O THR A 54 -6.787 -3.435 8.786 1.00 1.41 O ATOM 546 CB THR A 54 -7.285 -5.521 10.755 1.00 2.58 C ATOM 547 OG1 THR A 54 -6.499 -4.476 11.344 1.00 2.85 O ATOM 548 CG2 THR A 54 -7.180 -6.783 11.598 1.00 3.30 C ATOM 0 H THR A 54 -4.810 -5.449 9.829 1.00 1.76 H new ATOM 0 HA THR A 54 -7.345 -6.665 8.950 1.00 1.96 H new ATOM 0 HB THR A 54 -8.330 -5.213 10.723 1.00 2.58 H new ATOM 0 HG1 THR A 54 -6.332 -3.777 10.678 1.00 2.85 H new ATOM 0 HG21 THR A 54 -7.518 -6.572 12.613 1.00 3.30 H new ATOM 0 HG22 THR A 54 -7.803 -7.564 11.163 1.00 3.30 H new ATOM 0 HG23 THR A 54 -6.143 -7.118 11.623 1.00 3.30 H new ATOM 556 N ASP A 55 -7.788 -4.827 7.326 1.00 1.58 N ATOM 557 CA ASP A 55 -7.916 -3.848 6.254 1.00 1.57 C ATOM 558 C ASP A 55 -9.010 -2.814 6.511 1.00 1.40 C ATOM 559 O ASP A 55 -8.713 -1.630 6.683 1.00 1.25 O ATOM 560 CB ASP A 55 -8.152 -4.557 4.902 1.00 2.38 C ATOM 561 CG ASP A 55 -9.128 -5.726 4.978 1.00 3.04 C ATOM 562 OD1 ASP A 55 -9.806 -5.895 6.013 1.00 3.66 O ATOM 563 OD2 ASP A 55 -9.218 -6.494 4.002 1.00 3.51 O ATOM 0 H ASP A 55 -8.251 -5.716 7.135 1.00 1.58 H new ATOM 0 HA ASP A 55 -6.974 -3.301 6.219 1.00 1.57 H new ATOM 0 HB2 ASP A 55 -8.527 -3.829 4.182 1.00 2.38 H new ATOM 0 HB3 ASP A 55 -7.197 -4.918 4.521 1.00 2.38 H new ATOM 568 N ASP A 56 -10.259 -3.262 6.546 1.00 1.62 N ATOM 569 CA ASP A 56 -11.413 -2.358 6.594 1.00 1.72 C ATOM 570 C ASP A 56 -11.332 -1.357 7.733 1.00 1.47 C ATOM 571 O ASP A 56 -11.664 -0.188 7.552 1.00 1.48 O ATOM 572 CB ASP A 56 -12.723 -3.138 6.714 1.00 2.15 C ATOM 573 CG ASP A 56 -13.121 -3.813 5.422 1.00 2.43 C ATOM 574 OD1 ASP A 56 -12.954 -5.045 5.311 1.00 2.98 O ATOM 575 OD2 ASP A 56 -13.611 -3.114 4.511 1.00 2.88 O ATOM 0 H ASP A 56 -10.505 -4.252 6.542 1.00 1.62 H new ATOM 0 HA ASP A 56 -11.394 -1.806 5.654 1.00 1.72 H new ATOM 0 HB2 ASP A 56 -12.623 -3.890 7.496 1.00 2.15 H new ATOM 0 HB3 ASP A 56 -13.518 -2.460 7.024 1.00 2.15 H new ATOM 580 N LYS A 57 -10.895 -1.804 8.898 1.00 1.39 N ATOM 581 CA LYS A 57 -10.883 -0.943 10.070 1.00 1.42 C ATOM 582 C LYS A 57 -9.930 0.239 9.894 1.00 1.20 C ATOM 583 O LYS A 57 -10.334 1.391 10.005 1.00 1.27 O ATOM 584 CB LYS A 57 -10.493 -1.729 11.320 1.00 1.57 C ATOM 585 CG LYS A 57 -10.688 -0.933 12.599 1.00 1.98 C ATOM 586 CD LYS A 57 -10.172 -1.675 13.819 1.00 2.71 C ATOM 587 CE LYS A 57 -8.663 -1.829 13.784 1.00 3.40 C ATOM 588 NZ LYS A 57 -8.135 -2.341 15.072 1.00 4.03 N ATOM 0 H LYS A 57 -10.547 -2.749 9.058 1.00 1.39 H new ATOM 0 HA LYS A 57 -11.895 -0.556 10.189 1.00 1.42 H new ATOM 0 HB2 LYS A 57 -11.088 -2.641 11.371 1.00 1.57 H new ATOM 0 HB3 LYS A 57 -9.449 -2.033 11.242 1.00 1.57 H new ATOM 0 HG2 LYS A 57 -10.172 0.023 12.512 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -11.747 -0.713 12.730 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -10.462 -1.138 14.722 1.00 2.71 H new ATOM 0 HD3 LYS A 57 -10.637 -2.659 13.870 1.00 2.71 H new ATOM 0 HE2 LYS A 57 -8.385 -2.510 12.980 1.00 3.40 H new ATOM 0 HE3 LYS A 57 -8.204 -0.866 13.559 1.00 3.40 H new ATOM 0 HZ1 LYS A 57 -7.101 -2.434 15.011 1.00 4.03 H new ATOM 0 HZ2 LYS A 57 -8.379 -1.678 15.835 1.00 4.03 H new ATOM 0 HZ3 LYS A 57 -8.554 -3.271 15.274 1.00 4.03 H new ATOM 602 N LYS A 58 -8.671 -0.053 9.593 1.00 1.07 N ATOM 603 CA LYS A 58 -7.637 0.979 9.581 1.00 1.04 C ATOM 604 C LYS A 58 -7.632 1.757 8.268 1.00 0.88 C ATOM 605 O LYS A 58 -7.660 2.988 8.264 1.00 0.87 O ATOM 606 CB LYS A 58 -6.255 0.358 9.816 1.00 1.18 C ATOM 607 CG LYS A 58 -6.117 -0.359 11.153 1.00 1.64 C ATOM 608 CD LYS A 58 -4.693 -0.851 11.391 1.00 2.25 C ATOM 609 CE LYS A 58 -3.827 0.193 12.093 1.00 2.61 C ATOM 610 NZ LYS A 58 -3.596 1.409 11.267 1.00 2.99 N ATOM 0 H LYS A 58 -8.341 -0.988 9.355 1.00 1.07 H new ATOM 0 HA LYS A 58 -7.865 1.675 10.389 1.00 1.04 H new ATOM 0 HB2 LYS A 58 -6.044 -0.348 9.013 1.00 1.18 H new ATOM 0 HB3 LYS A 58 -5.501 1.143 9.757 1.00 1.18 H new ATOM 0 HG2 LYS A 58 -6.407 0.316 11.958 1.00 1.64 H new ATOM 0 HG3 LYS A 58 -6.803 -1.205 11.183 1.00 1.64 H new ATOM 0 HD2 LYS A 58 -4.721 -1.760 11.992 1.00 2.25 H new ATOM 0 HD3 LYS A 58 -4.238 -1.114 10.436 1.00 2.25 H new ATOM 0 HE2 LYS A 58 -4.304 0.482 13.029 1.00 2.61 H new ATOM 0 HE3 LYS A 58 -2.866 -0.253 12.349 1.00 2.61 H new ATOM 0 HZ1 LYS A 58 -2.741 1.898 11.600 1.00 2.99 H new ATOM 0 HZ2 LYS A 58 -3.472 1.134 10.272 1.00 2.99 H new ATOM 0 HZ3 LYS A 58 -4.414 2.046 11.351 1.00 2.99 H new ATOM 624 N ILE A 59 -7.610 1.028 7.160 1.00 0.83 N ATOM 625 CA ILE A 59 -7.460 1.630 5.840 1.00 0.80 C ATOM 626 C ILE A 59 -8.635 2.542 5.506 1.00 0.74 C ATOM 627 O ILE A 59 -8.447 3.690 5.102 1.00 0.78 O ATOM 628 CB ILE A 59 -7.332 0.540 4.754 1.00 0.90 C ATOM 629 CG1 ILE A 59 -6.073 -0.297 4.997 1.00 1.12 C ATOM 630 CG2 ILE A 59 -7.305 1.157 3.359 1.00 0.96 C ATOM 631 CD1 ILE A 59 -6.030 -1.568 4.180 1.00 1.33 C ATOM 0 H ILE A 59 -7.695 0.012 7.149 1.00 0.83 H new ATOM 0 HA ILE A 59 -6.550 2.229 5.860 1.00 0.80 H new ATOM 0 HB ILE A 59 -8.205 -0.110 4.814 1.00 0.90 H new ATOM 0 HG12 ILE A 59 -5.195 0.305 4.765 1.00 1.12 H new ATOM 0 HG13 ILE A 59 -6.014 -0.552 6.055 1.00 1.12 H new ATOM 0 HG21 ILE A 59 -7.214 0.367 2.613 1.00 0.96 H new ATOM 0 HG22 ILE A 59 -8.227 1.712 3.189 1.00 0.96 H new ATOM 0 HG23 ILE A 59 -6.454 1.833 3.277 1.00 0.96 H new ATOM 0 HD11 ILE A 59 -5.112 -2.112 4.401 1.00 1.33 H new ATOM 0 HD12 ILE A 59 -6.889 -2.190 4.430 1.00 1.33 H new ATOM 0 HD13 ILE A 59 -6.058 -1.320 3.119 1.00 1.33 H new ATOM 643 N GLU A 60 -9.841 2.032 5.697 1.00 0.77 N ATOM 644 CA GLU A 60 -11.039 2.774 5.345 1.00 0.87 C ATOM 645 C GLU A 60 -11.223 3.980 6.262 1.00 0.85 C ATOM 646 O GLU A 60 -11.703 5.021 5.826 1.00 0.94 O ATOM 647 CB GLU A 60 -12.261 1.855 5.393 1.00 1.04 C ATOM 648 CG GLU A 60 -13.572 2.545 5.058 1.00 1.32 C ATOM 649 CD GLU A 60 -14.717 1.567 4.918 1.00 1.47 C ATOM 650 OE1 GLU A 60 -15.150 0.996 5.940 1.00 1.96 O ATOM 651 OE2 GLU A 60 -15.195 1.367 3.781 1.00 2.01 O ATOM 0 H GLU A 60 -10.015 1.108 6.093 1.00 0.77 H new ATOM 0 HA GLU A 60 -10.929 3.148 4.327 1.00 0.87 H new ATOM 0 HB2 GLU A 60 -12.109 1.030 4.697 1.00 1.04 H new ATOM 0 HB3 GLU A 60 -12.336 1.421 6.390 1.00 1.04 H new ATOM 0 HG2 GLU A 60 -13.809 3.269 5.838 1.00 1.32 H new ATOM 0 HG3 GLU A 60 -13.459 3.104 4.129 1.00 1.32 H new ATOM 658 N ASP A 61 -10.812 3.848 7.520 1.00 0.82 N ATOM 659 CA ASP A 61 -10.944 4.939 8.483 1.00 0.88 C ATOM 660 C ASP A 61 -10.156 6.164 8.030 1.00 0.79 C ATOM 661 O ASP A 61 -10.696 7.269 7.959 1.00 0.83 O ATOM 662 CB ASP A 61 -10.465 4.505 9.869 1.00 0.99 C ATOM 663 CG ASP A 61 -10.629 5.597 10.909 1.00 1.55 C ATOM 664 OD1 ASP A 61 -9.636 6.288 11.223 1.00 2.27 O ATOM 665 OD2 ASP A 61 -11.757 5.774 11.423 1.00 2.05 O ATOM 0 H ASP A 61 -10.386 3.001 7.896 1.00 0.82 H new ATOM 0 HA ASP A 61 -12.001 5.200 8.540 1.00 0.88 H new ATOM 0 HB2 ASP A 61 -11.023 3.622 10.183 1.00 0.99 H new ATOM 0 HB3 ASP A 61 -9.416 4.216 9.813 1.00 0.99 H new ATOM 670 N ILE A 62 -8.886 5.962 7.705 1.00 0.72 N ATOM 671 CA ILE A 62 -8.017 7.063 7.301 1.00 0.69 C ATOM 672 C ILE A 62 -8.441 7.636 5.948 1.00 0.68 C ATOM 673 O ILE A 62 -8.405 8.851 5.739 1.00 0.73 O ATOM 674 CB ILE A 62 -6.535 6.626 7.230 1.00 0.73 C ATOM 675 CG1 ILE A 62 -6.067 6.119 8.598 1.00 0.81 C ATOM 676 CG2 ILE A 62 -5.653 7.776 6.756 1.00 0.77 C ATOM 677 CD1 ILE A 62 -4.590 5.781 8.654 1.00 0.93 C ATOM 0 H ILE A 62 -8.434 5.048 7.713 1.00 0.72 H new ATOM 0 HA ILE A 62 -8.117 7.835 8.064 1.00 0.69 H new ATOM 0 HB ILE A 62 -6.450 5.814 6.508 1.00 0.73 H new ATOM 0 HG12 ILE A 62 -6.285 6.877 9.350 1.00 0.81 H new ATOM 0 HG13 ILE A 62 -6.643 5.232 8.863 1.00 0.81 H new ATOM 0 HG21 ILE A 62 -4.615 7.445 6.714 1.00 0.77 H new ATOM 0 HG22 ILE A 62 -5.973 8.095 5.764 1.00 0.77 H new ATOM 0 HG23 ILE A 62 -5.740 8.611 7.451 1.00 0.77 H new ATOM 0 HD11 ILE A 62 -4.335 5.429 9.654 1.00 0.93 H new ATOM 0 HD12 ILE A 62 -4.368 5.000 7.927 1.00 0.93 H new ATOM 0 HD13 ILE A 62 -4.004 6.670 8.422 1.00 0.93 H new ATOM 689 N LEU A 63 -8.876 6.766 5.047 1.00 0.68 N ATOM 690 CA LEU A 63 -9.194 7.177 3.690 1.00 0.76 C ATOM 691 C LEU A 63 -10.551 7.877 3.624 1.00 0.84 C ATOM 692 O LEU A 63 -10.677 8.944 3.020 1.00 0.94 O ATOM 693 CB LEU A 63 -9.149 5.969 2.736 1.00 0.85 C ATOM 694 CG LEU A 63 -9.723 6.219 1.347 1.00 1.23 C ATOM 695 CD1 LEU A 63 -8.892 5.504 0.297 1.00 1.57 C ATOM 696 CD2 LEU A 63 -11.172 5.759 1.263 1.00 1.89 C ATOM 0 H LEU A 63 -9.016 5.773 5.233 1.00 0.68 H new ATOM 0 HA LEU A 63 -8.439 7.896 3.370 1.00 0.76 H new ATOM 0 HB2 LEU A 63 -8.113 5.647 2.631 1.00 0.85 H new ATOM 0 HB3 LEU A 63 -9.694 5.144 3.194 1.00 0.85 H new ATOM 0 HG LEU A 63 -9.692 7.292 1.158 1.00 1.23 H new ATOM 0 HD11 LEU A 63 -9.314 5.691 -0.690 1.00 1.57 H new ATOM 0 HD12 LEU A 63 -7.867 5.874 0.330 1.00 1.57 H new ATOM 0 HD13 LEU A 63 -8.897 4.432 0.496 1.00 1.57 H new ATOM 0 HD21 LEU A 63 -11.557 5.949 0.261 1.00 1.89 H new ATOM 0 HD22 LEU A 63 -11.228 4.692 1.477 1.00 1.89 H new ATOM 0 HD23 LEU A 63 -11.770 6.306 1.991 1.00 1.89 H new ATOM 708 N LYS A 64 -11.556 7.287 4.260 1.00 0.89 N ATOM 709 CA LYS A 64 -12.913 7.826 4.221 1.00 1.05 C ATOM 710 C LYS A 64 -12.962 9.206 4.866 1.00 1.03 C ATOM 711 O LYS A 64 -13.736 10.072 4.449 1.00 1.13 O ATOM 712 CB LYS A 64 -13.884 6.880 4.935 1.00 1.22 C ATOM 713 CG LYS A 64 -15.339 7.325 4.872 1.00 1.64 C ATOM 714 CD LYS A 64 -16.253 6.387 5.647 1.00 2.17 C ATOM 715 CE LYS A 64 -15.950 6.406 7.139 1.00 2.87 C ATOM 716 NZ LYS A 64 -16.890 5.549 7.906 1.00 3.41 N ATOM 0 H LYS A 64 -11.458 6.434 4.810 1.00 0.89 H new ATOM 0 HA LYS A 64 -13.213 7.918 3.177 1.00 1.05 H new ATOM 0 HB2 LYS A 64 -13.799 5.887 4.494 1.00 1.22 H new ATOM 0 HB3 LYS A 64 -13.587 6.791 5.980 1.00 1.22 H new ATOM 0 HG2 LYS A 64 -15.428 8.334 5.275 1.00 1.64 H new ATOM 0 HG3 LYS A 64 -15.661 7.368 3.831 1.00 1.64 H new ATOM 0 HD2 LYS A 64 -17.292 6.674 5.483 1.00 2.17 H new ATOM 0 HD3 LYS A 64 -16.139 5.372 5.266 1.00 2.17 H new ATOM 0 HE2 LYS A 64 -14.928 6.065 7.306 1.00 2.87 H new ATOM 0 HE3 LYS A 64 -16.008 7.430 7.508 1.00 2.87 H new ATOM 0 HZ1 LYS A 64 -16.650 5.589 8.917 1.00 3.41 H new ATOM 0 HZ2 LYS A 64 -17.863 5.890 7.767 1.00 3.41 H new ATOM 0 HZ3 LYS A 64 -16.816 4.567 7.571 1.00 3.41 H new ATOM 730 N SER A 65 -12.128 9.411 5.873 1.00 0.97 N ATOM 731 CA SER A 65 -12.092 10.674 6.588 1.00 1.06 C ATOM 732 C SER A 65 -11.283 11.726 5.830 1.00 1.03 C ATOM 733 O SER A 65 -11.249 12.888 6.230 1.00 1.13 O ATOM 734 CB SER A 65 -11.517 10.469 7.988 1.00 1.18 C ATOM 735 OG SER A 65 -12.311 9.557 8.735 1.00 1.65 O ATOM 0 H SER A 65 -11.465 8.715 6.214 1.00 0.97 H new ATOM 0 HA SER A 65 -13.115 11.041 6.671 1.00 1.06 H new ATOM 0 HB2 SER A 65 -10.496 10.093 7.915 1.00 1.18 H new ATOM 0 HB3 SER A 65 -11.468 11.425 8.509 1.00 1.18 H new ATOM 0 HG SER A 65 -11.953 8.651 8.632 1.00 1.65 H new ATOM 741 N LEU A 66 -10.630 11.333 4.740 1.00 0.97 N ATOM 742 CA LEU A 66 -9.892 12.303 3.938 1.00 1.05 C ATOM 743 C LEU A 66 -10.834 13.021 2.961 1.00 1.20 C ATOM 744 O LEU A 66 -10.750 14.241 2.799 1.00 1.55 O ATOM 745 CB LEU A 66 -8.712 11.652 3.186 1.00 1.00 C ATOM 746 CG LEU A 66 -7.857 12.643 2.393 1.00 1.09 C ATOM 747 CD1 LEU A 66 -7.171 13.626 3.328 1.00 1.72 C ATOM 748 CD2 LEU A 66 -6.826 11.926 1.527 1.00 1.38 C ATOM 0 H LEU A 66 -10.596 10.373 4.398 1.00 0.97 H new ATOM 0 HA LEU A 66 -9.470 13.040 4.621 1.00 1.05 H new ATOM 0 HB2 LEU A 66 -8.077 11.135 3.905 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -9.102 10.897 2.504 1.00 1.00 H new ATOM 0 HG LEU A 66 -8.523 13.195 1.730 1.00 1.09 H new ATOM 0 HD11 LEU A 66 -6.568 14.322 2.745 1.00 1.72 H new ATOM 0 HD12 LEU A 66 -7.923 14.180 3.889 1.00 1.72 H new ATOM 0 HD13 LEU A 66 -6.529 13.082 4.021 1.00 1.72 H new ATOM 0 HD21 LEU A 66 -6.237 12.661 0.978 1.00 1.38 H new ATOM 0 HD22 LEU A 66 -6.167 11.333 2.161 1.00 1.38 H new ATOM 0 HD23 LEU A 66 -7.336 11.270 0.821 1.00 1.38 H new ATOM 760 N GLY A 67 -11.744 12.280 2.333 1.00 1.07 N ATOM 761 CA GLY A 67 -12.775 12.911 1.533 1.00 1.26 C ATOM 762 C GLY A 67 -12.964 12.247 0.183 1.00 1.22 C ATOM 763 O GLY A 67 -13.743 11.302 0.060 1.00 1.28 O ATOM 0 H GLY A 67 -11.784 11.261 2.364 1.00 1.07 H new ATOM 0 HA2 GLY A 67 -13.718 12.886 2.079 1.00 1.26 H new ATOM 0 HA3 GLY A 67 -12.521 13.960 1.384 1.00 1.26 H new ATOM 767 N PRO A 68 -12.255 12.727 -0.850 1.00 1.24 N ATOM 768 CA PRO A 68 -12.374 12.198 -2.217 1.00 1.29 C ATOM 769 C PRO A 68 -11.891 10.753 -2.312 1.00 1.15 C ATOM 770 O PRO A 68 -11.204 10.263 -1.416 1.00 0.99 O ATOM 771 CB PRO A 68 -11.463 13.124 -3.035 1.00 1.41 C ATOM 772 CG PRO A 68 -10.499 13.678 -2.049 1.00 1.56 C ATOM 773 CD PRO A 68 -11.268 13.819 -0.769 1.00 1.35 C ATOM 0 HA PRO A 68 -13.407 12.181 -2.566 1.00 1.29 H new ATOM 0 HB2 PRO A 68 -10.949 12.576 -3.825 1.00 1.41 H new ATOM 0 HB3 PRO A 68 -12.035 13.917 -3.517 1.00 1.41 H new ATOM 0 HG2 PRO A 68 -9.644 13.014 -1.921 1.00 1.56 H new ATOM 0 HG3 PRO A 68 -10.109 14.640 -2.380 1.00 1.56 H new ATOM 0 HD2 PRO A 68 -10.622 13.715 0.103 1.00 1.35 H new ATOM 0 HD3 PRO A 68 -11.750 14.794 -0.694 1.00 1.35 H new ATOM 781 N PRO A 69 -12.272 10.038 -3.386 1.00 1.30 N ATOM 782 CA PRO A 69 -11.779 8.684 -3.638 1.00 1.26 C ATOM 783 C PRO A 69 -10.271 8.690 -3.872 1.00 1.05 C ATOM 784 O PRO A 69 -9.794 8.992 -4.970 1.00 1.17 O ATOM 785 CB PRO A 69 -12.531 8.241 -4.898 1.00 1.53 C ATOM 786 CG PRO A 69 -13.000 9.503 -5.540 1.00 1.89 C ATOM 787 CD PRO A 69 -13.214 10.488 -4.425 1.00 1.58 C ATOM 0 HA PRO A 69 -11.947 8.013 -2.796 1.00 1.26 H new ATOM 0 HB2 PRO A 69 -11.880 7.678 -5.567 1.00 1.53 H new ATOM 0 HB3 PRO A 69 -13.370 7.592 -4.648 1.00 1.53 H new ATOM 0 HG2 PRO A 69 -12.263 9.875 -6.251 1.00 1.89 H new ATOM 0 HG3 PRO A 69 -13.923 9.337 -6.095 1.00 1.89 H new ATOM 0 HD2 PRO A 69 -13.002 11.508 -4.744 1.00 1.58 H new ATOM 0 HD3 PRO A 69 -14.244 10.473 -4.068 1.00 1.58 H new ATOM 795 N VAL A 70 -9.537 8.356 -2.826 1.00 0.85 N ATOM 796 CA VAL A 70 -8.088 8.453 -2.822 1.00 0.67 C ATOM 797 C VAL A 70 -7.454 7.329 -3.630 1.00 0.60 C ATOM 798 O VAL A 70 -7.958 6.206 -3.655 1.00 0.66 O ATOM 799 CB VAL A 70 -7.556 8.412 -1.373 1.00 0.62 C ATOM 800 CG1 VAL A 70 -6.045 8.572 -1.325 1.00 0.99 C ATOM 801 CG2 VAL A 70 -8.231 9.480 -0.534 1.00 1.08 C ATOM 0 H VAL A 70 -9.931 8.008 -1.952 1.00 0.85 H new ATOM 0 HA VAL A 70 -7.818 9.402 -3.284 1.00 0.67 H new ATOM 0 HB VAL A 70 -7.795 7.433 -0.959 1.00 0.62 H new ATOM 0 HG11 VAL A 70 -5.708 8.538 -0.289 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -5.576 7.764 -1.886 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -5.766 9.529 -1.766 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -7.846 9.439 0.485 1.00 1.08 H new ATOM 0 HG22 VAL A 70 -8.025 10.462 -0.961 1.00 1.08 H new ATOM 0 HG23 VAL A 70 -9.307 9.308 -0.523 1.00 1.08 H new ATOM 811 N LYS A 71 -6.354 7.647 -4.298 1.00 0.55 N ATOM 812 CA LYS A 71 -5.609 6.650 -5.055 1.00 0.54 C ATOM 813 C LYS A 71 -4.719 5.853 -4.113 1.00 0.43 C ATOM 814 O LYS A 71 -3.931 6.430 -3.357 1.00 0.41 O ATOM 815 CB LYS A 71 -4.752 7.304 -6.146 1.00 0.65 C ATOM 816 CG LYS A 71 -5.540 7.956 -7.271 1.00 1.27 C ATOM 817 CD LYS A 71 -6.389 6.948 -8.028 1.00 1.74 C ATOM 818 CE LYS A 71 -6.895 7.521 -9.345 1.00 2.14 C ATOM 819 NZ LYS A 71 -7.670 8.777 -9.157 1.00 2.53 N ATOM 0 H LYS A 71 -5.958 8.586 -4.331 1.00 0.55 H new ATOM 0 HA LYS A 71 -6.325 5.986 -5.539 1.00 0.54 H new ATOM 0 HB2 LYS A 71 -4.114 8.058 -5.684 1.00 0.65 H new ATOM 0 HB3 LYS A 71 -4.094 6.548 -6.573 1.00 0.65 H new ATOM 0 HG2 LYS A 71 -6.182 8.735 -6.860 1.00 1.27 H new ATOM 0 HG3 LYS A 71 -4.851 8.442 -7.962 1.00 1.27 H new ATOM 0 HD2 LYS A 71 -5.803 6.050 -8.222 1.00 1.74 H new ATOM 0 HD3 LYS A 71 -7.236 6.648 -7.411 1.00 1.74 H new ATOM 0 HE2 LYS A 71 -6.048 7.715 -10.003 1.00 2.14 H new ATOM 0 HE3 LYS A 71 -7.522 6.781 -9.843 1.00 2.14 H new ATOM 0 HZ1 LYS A 71 -8.120 9.045 -10.056 1.00 2.53 H new ATOM 0 HZ2 LYS A 71 -8.403 8.628 -8.434 1.00 2.53 H new ATOM 0 HZ3 LYS A 71 -7.030 9.537 -8.850 1.00 2.53 H new ATOM 833 N ILE A 72 -4.854 4.539 -4.146 1.00 0.45 N ATOM 834 CA ILE A 72 -4.084 3.675 -3.267 1.00 0.43 C ATOM 835 C ILE A 72 -3.046 2.876 -4.047 1.00 0.41 C ATOM 836 O ILE A 72 -3.381 2.159 -4.989 1.00 0.50 O ATOM 837 CB ILE A 72 -4.999 2.690 -2.506 1.00 0.54 C ATOM 838 CG1 ILE A 72 -6.003 3.447 -1.634 1.00 0.68 C ATOM 839 CG2 ILE A 72 -4.172 1.736 -1.657 1.00 0.58 C ATOM 840 CD1 ILE A 72 -6.880 2.543 -0.791 1.00 1.00 C ATOM 0 H ILE A 72 -5.490 4.046 -4.773 1.00 0.45 H new ATOM 0 HA ILE A 72 -3.579 4.325 -2.552 1.00 0.43 H new ATOM 0 HB ILE A 72 -5.554 2.106 -3.240 1.00 0.54 H new ATOM 0 HG12 ILE A 72 -5.460 4.127 -0.978 1.00 0.68 H new ATOM 0 HG13 ILE A 72 -6.637 4.060 -2.274 1.00 0.68 H new ATOM 0 HG21 ILE A 72 -4.835 1.051 -1.129 1.00 0.58 H new ATOM 0 HG22 ILE A 72 -3.499 1.168 -2.299 1.00 0.58 H new ATOM 0 HG23 ILE A 72 -3.588 2.305 -0.934 1.00 0.58 H new ATOM 0 HD11 ILE A 72 -7.566 3.150 -0.200 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -7.450 1.880 -1.441 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -6.255 1.948 -0.125 1.00 1.00 H new ATOM 852 N LEU A 73 -1.789 3.013 -3.659 1.00 0.37 N ATOM 853 CA LEU A 73 -0.735 2.154 -4.181 1.00 0.37 C ATOM 854 C LEU A 73 -0.410 1.085 -3.142 1.00 0.37 C ATOM 855 O LEU A 73 -0.173 1.394 -1.975 1.00 0.46 O ATOM 856 CB LEU A 73 0.519 2.962 -4.540 1.00 0.43 C ATOM 857 CG LEU A 73 1.757 2.126 -4.865 1.00 0.57 C ATOM 858 CD1 LEU A 73 1.741 1.679 -6.317 1.00 1.06 C ATOM 859 CD2 LEU A 73 3.022 2.902 -4.541 1.00 1.22 C ATOM 0 H LEU A 73 -1.472 3.710 -2.985 1.00 0.37 H new ATOM 0 HA LEU A 73 -1.084 1.680 -5.098 1.00 0.37 H new ATOM 0 HB2 LEU A 73 0.291 3.595 -5.398 1.00 0.43 H new ATOM 0 HB3 LEU A 73 0.756 3.625 -3.708 1.00 0.43 H new ATOM 0 HG LEU A 73 1.742 1.231 -4.244 1.00 0.57 H new ATOM 0 HD11 LEU A 73 2.632 1.086 -6.525 1.00 1.06 H new ATOM 0 HD12 LEU A 73 0.852 1.076 -6.502 1.00 1.06 H new ATOM 0 HD13 LEU A 73 1.728 2.554 -6.967 1.00 1.06 H new ATOM 0 HD21 LEU A 73 3.894 2.292 -4.778 1.00 1.22 H new ATOM 0 HD22 LEU A 73 3.048 3.818 -5.131 1.00 1.22 H new ATOM 0 HD23 LEU A 73 3.033 3.153 -3.480 1.00 1.22 H new ATOM 871 N VAL A 74 -0.429 -0.169 -3.562 1.00 0.40 N ATOM 872 CA VAL A 74 -0.256 -1.282 -2.641 1.00 0.40 C ATOM 873 C VAL A 74 1.014 -2.063 -2.958 1.00 0.39 C ATOM 874 O VAL A 74 1.166 -2.593 -4.058 1.00 0.47 O ATOM 875 CB VAL A 74 -1.470 -2.238 -2.695 1.00 0.48 C ATOM 876 CG1 VAL A 74 -1.344 -3.363 -1.677 1.00 1.30 C ATOM 877 CG2 VAL A 74 -2.769 -1.475 -2.489 1.00 1.16 C ATOM 0 H VAL A 74 -0.563 -0.443 -4.535 1.00 0.40 H new ATOM 0 HA VAL A 74 -0.175 -0.863 -1.638 1.00 0.40 H new ATOM 0 HB VAL A 74 -1.486 -2.689 -3.687 1.00 0.48 H new ATOM 0 HG11 VAL A 74 -2.215 -4.014 -1.745 1.00 1.30 H new ATOM 0 HG12 VAL A 74 -0.443 -3.940 -1.883 1.00 1.30 H new ATOM 0 HG13 VAL A 74 -1.284 -2.941 -0.674 1.00 1.30 H new ATOM 0 HG21 VAL A 74 -3.609 -2.168 -2.531 1.00 1.16 H new ATOM 0 HG22 VAL A 74 -2.752 -0.984 -1.516 1.00 1.16 H new ATOM 0 HG23 VAL A 74 -2.878 -0.725 -3.272 1.00 1.16 H new ATOM 887 N LEU A 75 1.919 -2.121 -1.993 1.00 0.38 N ATOM 888 CA LEU A 75 3.153 -2.883 -2.134 1.00 0.38 C ATOM 889 C LEU A 75 3.031 -4.190 -1.368 1.00 0.35 C ATOM 890 O LEU A 75 2.745 -4.193 -0.169 1.00 0.43 O ATOM 891 CB LEU A 75 4.371 -2.101 -1.606 1.00 0.48 C ATOM 892 CG LEU A 75 4.814 -0.869 -2.420 1.00 0.80 C ATOM 893 CD1 LEU A 75 3.757 0.228 -2.426 1.00 1.67 C ATOM 894 CD2 LEU A 75 6.124 -0.327 -1.870 1.00 1.65 C ATOM 0 H LEU A 75 1.821 -1.645 -1.096 1.00 0.38 H new ATOM 0 HA LEU A 75 3.307 -3.075 -3.196 1.00 0.38 H new ATOM 0 HB2 LEU A 75 4.150 -1.775 -0.590 1.00 0.48 H new ATOM 0 HB3 LEU A 75 5.215 -2.788 -1.544 1.00 0.48 H new ATOM 0 HG LEU A 75 4.953 -1.192 -3.452 1.00 0.80 H new ATOM 0 HD11 LEU A 75 4.115 1.075 -3.012 1.00 1.67 H new ATOM 0 HD12 LEU A 75 2.837 -0.156 -2.867 1.00 1.67 H new ATOM 0 HD13 LEU A 75 3.562 0.551 -1.403 1.00 1.67 H new ATOM 0 HD21 LEU A 75 6.430 0.543 -2.451 1.00 1.65 H new ATOM 0 HD22 LEU A 75 5.989 -0.039 -0.827 1.00 1.65 H new ATOM 0 HD23 LEU A 75 6.893 -1.097 -1.937 1.00 1.65 H new ATOM 906 N LEU A 76 3.235 -5.299 -2.052 1.00 0.34 N ATOM 907 CA LEU A 76 3.144 -6.599 -1.413 1.00 0.42 C ATOM 908 C LEU A 76 4.431 -7.386 -1.599 1.00 0.41 C ATOM 909 O LEU A 76 4.911 -7.545 -2.719 1.00 0.48 O ATOM 910 CB LEU A 76 1.970 -7.404 -1.981 1.00 0.55 C ATOM 911 CG LEU A 76 0.583 -6.793 -1.774 1.00 1.09 C ATOM 912 CD1 LEU A 76 -0.482 -7.689 -2.384 1.00 1.52 C ATOM 913 CD2 LEU A 76 0.306 -6.574 -0.296 1.00 1.76 C ATOM 0 H LEU A 76 3.464 -5.327 -3.046 1.00 0.34 H new ATOM 0 HA LEU A 76 2.980 -6.431 -0.349 1.00 0.42 H new ATOM 0 HB2 LEU A 76 2.131 -7.540 -3.050 1.00 0.55 H new ATOM 0 HB3 LEU A 76 1.981 -8.396 -1.528 1.00 0.55 H new ATOM 0 HG LEU A 76 0.556 -5.825 -2.274 1.00 1.09 H new ATOM 0 HD11 LEU A 76 -1.465 -7.243 -2.230 1.00 1.52 H new ATOM 0 HD12 LEU A 76 -0.297 -7.799 -3.453 1.00 1.52 H new ATOM 0 HD13 LEU A 76 -0.450 -8.669 -1.908 1.00 1.52 H new ATOM 0 HD21 LEU A 76 -0.686 -6.139 -0.172 1.00 1.76 H new ATOM 0 HD22 LEU A 76 0.351 -7.529 0.228 1.00 1.76 H new ATOM 0 HD23 LEU A 76 1.053 -5.897 0.118 1.00 1.76 H new ATOM 925 N GLU A 77 4.992 -7.855 -0.497 1.00 0.46 N ATOM 926 CA GLU A 77 6.084 -8.810 -0.557 1.00 0.49 C ATOM 927 C GLU A 77 5.477 -10.193 -0.717 1.00 0.49 C ATOM 928 O GLU A 77 4.615 -10.585 0.073 1.00 0.59 O ATOM 929 CB GLU A 77 6.952 -8.738 0.706 1.00 0.61 C ATOM 930 CG GLU A 77 8.028 -9.816 0.784 1.00 0.63 C ATOM 931 CD GLU A 77 9.035 -9.743 -0.350 1.00 1.04 C ATOM 932 OE1 GLU A 77 8.703 -10.178 -1.477 1.00 1.71 O ATOM 933 OE2 GLU A 77 10.169 -9.279 -0.112 1.00 1.74 O ATOM 0 H GLU A 77 4.710 -7.591 0.447 1.00 0.46 H new ATOM 0 HA GLU A 77 6.735 -8.581 -1.401 1.00 0.49 H new ATOM 0 HB2 GLU A 77 7.430 -7.759 0.750 1.00 0.61 H new ATOM 0 HB3 GLU A 77 6.308 -8.819 1.582 1.00 0.61 H new ATOM 0 HG2 GLU A 77 8.554 -9.726 1.734 1.00 0.63 H new ATOM 0 HG3 GLU A 77 7.552 -10.796 0.775 1.00 0.63 H new ATOM 940 N ASP A 78 5.903 -10.916 -1.743 1.00 0.54 N ATOM 941 CA ASP A 78 5.275 -12.186 -2.090 1.00 0.61 C ATOM 942 C ASP A 78 5.530 -13.241 -1.022 1.00 0.63 C ATOM 943 O ASP A 78 6.516 -13.975 -1.064 1.00 0.72 O ATOM 944 CB ASP A 78 5.761 -12.690 -3.448 1.00 0.77 C ATOM 945 CG ASP A 78 5.097 -13.995 -3.841 1.00 1.06 C ATOM 946 OD1 ASP A 78 5.754 -15.057 -3.742 1.00 1.59 O ATOM 947 OD2 ASP A 78 3.913 -13.969 -4.241 1.00 1.85 O ATOM 0 H ASP A 78 6.678 -10.647 -2.349 1.00 0.54 H new ATOM 0 HA ASP A 78 4.201 -12.008 -2.149 1.00 0.61 H new ATOM 0 HB2 ASP A 78 5.557 -11.936 -4.208 1.00 0.77 H new ATOM 0 HB3 ASP A 78 6.842 -12.828 -3.418 1.00 0.77 H new ATOM 952 N THR A 79 4.642 -13.284 -0.052 1.00 0.61 N ATOM 953 CA THR A 79 4.688 -14.281 0.993 1.00 0.72 C ATOM 954 C THR A 79 3.520 -15.245 0.840 1.00 0.78 C ATOM 955 O THR A 79 2.701 -15.080 -0.068 1.00 0.84 O ATOM 956 CB THR A 79 4.651 -13.619 2.382 1.00 0.77 C ATOM 957 OG1 THR A 79 3.583 -12.662 2.435 1.00 1.04 O ATOM 958 CG2 THR A 79 5.971 -12.929 2.690 1.00 1.20 C ATOM 0 H THR A 79 3.867 -12.627 0.033 1.00 0.61 H new ATOM 0 HA THR A 79 5.623 -14.834 0.904 1.00 0.72 H new ATOM 0 HB THR A 79 4.485 -14.396 3.128 1.00 0.77 H new ATOM 0 HG1 THR A 79 3.923 -11.811 2.781 1.00 1.04 H new ATOM 0 HG21 THR A 79 5.920 -12.469 3.677 1.00 1.20 H new ATOM 0 HG22 THR A 79 6.777 -13.662 2.673 1.00 1.20 H new ATOM 0 HG23 THR A 79 6.163 -12.161 1.941 1.00 1.20 H new ATOM 966 N LYS A 80 3.426 -16.232 1.715 1.00 0.84 N ATOM 967 CA LYS A 80 2.346 -17.205 1.635 1.00 0.92 C ATOM 968 C LYS A 80 1.003 -16.525 1.902 1.00 0.88 C ATOM 969 O LYS A 80 -0.005 -16.830 1.264 1.00 0.90 O ATOM 970 CB LYS A 80 2.577 -18.336 2.640 1.00 1.09 C ATOM 971 CG LYS A 80 2.014 -19.676 2.194 1.00 1.65 C ATOM 972 CD LYS A 80 2.768 -20.221 0.989 1.00 2.05 C ATOM 973 CE LYS A 80 2.277 -21.605 0.592 1.00 3.00 C ATOM 974 NZ LYS A 80 0.874 -21.583 0.104 1.00 3.57 N ATOM 0 H LYS A 80 4.079 -16.382 2.484 1.00 0.84 H new ATOM 0 HA LYS A 80 2.330 -17.629 0.631 1.00 0.92 H new ATOM 0 HB2 LYS A 80 3.648 -18.442 2.814 1.00 1.09 H new ATOM 0 HB3 LYS A 80 2.125 -18.061 3.593 1.00 1.09 H new ATOM 0 HG2 LYS A 80 2.074 -20.389 3.016 1.00 1.65 H new ATOM 0 HG3 LYS A 80 0.959 -19.564 1.945 1.00 1.65 H new ATOM 0 HD2 LYS A 80 2.650 -19.538 0.147 1.00 2.05 H new ATOM 0 HD3 LYS A 80 3.833 -20.265 1.216 1.00 2.05 H new ATOM 0 HE2 LYS A 80 2.924 -22.009 -0.186 1.00 3.00 H new ATOM 0 HE3 LYS A 80 2.352 -22.275 1.449 1.00 3.00 H new ATOM 0 HZ1 LYS A 80 0.615 -22.526 -0.250 1.00 3.57 H new ATOM 0 HZ2 LYS A 80 0.239 -21.320 0.884 1.00 3.57 H new ATOM 0 HZ3 LYS A 80 0.785 -20.888 -0.665 1.00 3.57 H new ATOM 988 N ASP A 81 1.012 -15.577 2.831 1.00 0.90 N ATOM 989 CA ASP A 81 -0.201 -14.860 3.216 1.00 0.93 C ATOM 990 C ASP A 81 -0.541 -13.766 2.209 1.00 0.83 C ATOM 991 O ASP A 81 -1.697 -13.365 2.086 1.00 0.82 O ATOM 992 CB ASP A 81 -0.049 -14.237 4.606 1.00 1.08 C ATOM 993 CG ASP A 81 0.124 -15.264 5.705 1.00 1.46 C ATOM 994 OD1 ASP A 81 -0.778 -16.111 5.880 1.00 2.24 O ATOM 995 OD2 ASP A 81 1.154 -15.214 6.412 1.00 2.00 O ATOM 0 H ASP A 81 1.849 -15.285 3.335 1.00 0.90 H new ATOM 0 HA ASP A 81 -1.013 -15.587 3.234 1.00 0.93 H new ATOM 0 HB2 ASP A 81 0.811 -13.567 4.605 1.00 1.08 H new ATOM 0 HB3 ASP A 81 -0.927 -13.628 4.822 1.00 1.08 H new ATOM 1000 N ALA A 82 0.474 -13.285 1.501 1.00 0.82 N ATOM 1001 CA ALA A 82 0.312 -12.178 0.562 1.00 0.82 C ATOM 1002 C ALA A 82 -0.699 -12.488 -0.538 1.00 0.82 C ATOM 1003 O ALA A 82 -1.403 -11.594 -0.998 1.00 0.84 O ATOM 1004 CB ALA A 82 1.647 -11.803 -0.055 1.00 0.97 C ATOM 0 H ALA A 82 1.426 -13.647 1.559 1.00 0.82 H new ATOM 0 HA ALA A 82 -0.075 -11.335 1.134 1.00 0.82 H new ATOM 0 HB1 ALA A 82 1.506 -10.977 -0.752 1.00 0.97 H new ATOM 0 HB2 ALA A 82 2.339 -11.501 0.731 1.00 0.97 H new ATOM 0 HB3 ALA A 82 2.055 -12.662 -0.588 1.00 0.97 H new ATOM 1010 N ASP A 83 -0.783 -13.751 -0.950 1.00 0.91 N ATOM 1011 CA ASP A 83 -1.700 -14.130 -2.024 1.00 1.03 C ATOM 1012 C ASP A 83 -3.135 -14.044 -1.541 1.00 0.98 C ATOM 1013 O ASP A 83 -4.051 -13.774 -2.319 1.00 1.03 O ATOM 1014 CB ASP A 83 -1.410 -15.537 -2.553 1.00 1.27 C ATOM 1015 CG ASP A 83 -0.326 -15.554 -3.614 1.00 1.72 C ATOM 1016 OD1 ASP A 83 -0.221 -14.577 -4.384 1.00 2.22 O ATOM 1017 OD2 ASP A 83 0.414 -16.558 -3.699 1.00 2.33 O ATOM 0 H ASP A 83 -0.236 -14.520 -0.563 1.00 0.91 H new ATOM 0 HA ASP A 83 -1.549 -13.430 -2.845 1.00 1.03 H new ATOM 0 HB2 ASP A 83 -1.110 -16.177 -1.724 1.00 1.27 H new ATOM 0 HB3 ASP A 83 -2.325 -15.960 -2.968 1.00 1.27 H new ATOM 1022 N LYS A 84 -3.317 -14.262 -0.248 1.00 0.96 N ATOM 1023 CA LYS A 84 -4.618 -14.104 0.376 1.00 1.04 C ATOM 1024 C LYS A 84 -5.030 -12.643 0.342 1.00 0.94 C ATOM 1025 O LYS A 84 -6.062 -12.291 -0.224 1.00 1.04 O ATOM 1026 CB LYS A 84 -4.594 -14.592 1.829 1.00 1.17 C ATOM 1027 CG LYS A 84 -4.664 -16.103 1.999 1.00 1.67 C ATOM 1028 CD LYS A 84 -3.368 -16.786 1.601 1.00 2.01 C ATOM 1029 CE LYS A 84 -3.431 -18.281 1.852 1.00 2.47 C ATOM 1030 NZ LYS A 84 -2.159 -18.955 1.492 1.00 3.21 N ATOM 0 H LYS A 84 -2.576 -14.550 0.391 1.00 0.96 H new ATOM 0 HA LYS A 84 -5.337 -14.705 -0.180 1.00 1.04 H new ATOM 0 HB2 LYS A 84 -3.682 -14.229 2.304 1.00 1.17 H new ATOM 0 HB3 LYS A 84 -5.431 -14.142 2.362 1.00 1.17 H new ATOM 0 HG2 LYS A 84 -4.893 -16.340 3.038 1.00 1.67 H new ATOM 0 HG3 LYS A 84 -5.481 -16.497 1.395 1.00 1.67 H new ATOM 0 HD2 LYS A 84 -3.166 -16.601 0.546 1.00 2.01 H new ATOM 0 HD3 LYS A 84 -2.540 -16.355 2.164 1.00 2.01 H new ATOM 0 HE2 LYS A 84 -3.654 -18.464 2.903 1.00 2.47 H new ATOM 0 HE3 LYS A 84 -4.247 -18.713 1.273 1.00 2.47 H new ATOM 0 HZ1 LYS A 84 -1.905 -19.636 2.235 1.00 3.21 H new ATOM 0 HZ2 LYS A 84 -2.275 -19.456 0.588 1.00 3.21 H new ATOM 0 HZ3 LYS A 84 -1.404 -18.246 1.400 1.00 3.21 H new ATOM 1044 N VAL A 85 -4.186 -11.794 0.923 1.00 0.80 N ATOM 1045 CA VAL A 85 -4.469 -10.363 1.029 1.00 0.77 C ATOM 1046 C VAL A 85 -4.629 -9.745 -0.359 1.00 0.68 C ATOM 1047 O VAL A 85 -5.453 -8.854 -0.559 1.00 0.75 O ATOM 1048 CB VAL A 85 -3.338 -9.611 1.790 1.00 0.75 C ATOM 1049 CG1 VAL A 85 -3.813 -8.245 2.254 1.00 1.35 C ATOM 1050 CG2 VAL A 85 -2.796 -10.422 2.969 1.00 1.16 C ATOM 0 H VAL A 85 -3.294 -12.074 1.331 1.00 0.80 H new ATOM 0 HA VAL A 85 -5.398 -10.259 1.590 1.00 0.77 H new ATOM 0 HB VAL A 85 -2.517 -9.475 1.086 1.00 0.75 H new ATOM 0 HG11 VAL A 85 -3.005 -7.739 2.783 1.00 1.35 H new ATOM 0 HG12 VAL A 85 -4.109 -7.650 1.390 1.00 1.35 H new ATOM 0 HG13 VAL A 85 -4.666 -8.364 2.922 1.00 1.35 H new ATOM 0 HG21 VAL A 85 -2.009 -9.856 3.469 1.00 1.16 H new ATOM 0 HG22 VAL A 85 -3.603 -10.622 3.674 1.00 1.16 H new ATOM 0 HG23 VAL A 85 -2.389 -11.366 2.605 1.00 1.16 H new ATOM 1060 N LYS A 86 -3.855 -10.247 -1.313 1.00 0.60 N ATOM 1061 CA LYS A 86 -3.889 -9.749 -2.681 1.00 0.59 C ATOM 1062 C LYS A 86 -5.296 -9.842 -3.265 1.00 0.69 C ATOM 1063 O LYS A 86 -5.859 -8.844 -3.722 1.00 0.78 O ATOM 1064 CB LYS A 86 -2.897 -10.547 -3.536 1.00 0.62 C ATOM 1065 CG LYS A 86 -2.963 -10.276 -5.035 1.00 0.79 C ATOM 1066 CD LYS A 86 -2.706 -8.815 -5.373 1.00 1.07 C ATOM 1067 CE LYS A 86 -2.203 -8.655 -6.795 1.00 1.57 C ATOM 1068 NZ LYS A 86 -3.097 -9.314 -7.779 1.00 2.30 N ATOM 0 H LYS A 86 -3.190 -11.006 -1.161 1.00 0.60 H new ATOM 0 HA LYS A 86 -3.602 -8.697 -2.680 1.00 0.59 H new ATOM 0 HB2 LYS A 86 -1.887 -10.330 -3.189 1.00 0.62 H new ATOM 0 HB3 LYS A 86 -3.071 -11.610 -3.368 1.00 0.62 H new ATOM 0 HG2 LYS A 86 -2.229 -10.899 -5.547 1.00 0.79 H new ATOM 0 HG3 LYS A 86 -3.944 -10.566 -5.411 1.00 0.79 H new ATOM 0 HD2 LYS A 86 -3.625 -8.243 -5.244 1.00 1.07 H new ATOM 0 HD3 LYS A 86 -1.974 -8.403 -4.678 1.00 1.07 H new ATOM 0 HE2 LYS A 86 -2.121 -7.595 -7.033 1.00 1.57 H new ATOM 0 HE3 LYS A 86 -1.202 -9.078 -6.875 1.00 1.57 H new ATOM 0 HZ1 LYS A 86 -3.145 -8.739 -8.644 1.00 2.30 H new ATOM 0 HZ2 LYS A 86 -2.724 -10.257 -8.010 1.00 2.30 H new ATOM 0 HZ3 LYS A 86 -4.050 -9.409 -7.373 1.00 2.30 H new ATOM 1082 N LYS A 87 -5.868 -11.034 -3.220 1.00 0.75 N ATOM 1083 CA LYS A 87 -7.176 -11.271 -3.810 1.00 0.89 C ATOM 1084 C LYS A 87 -8.290 -10.702 -2.939 1.00 0.88 C ATOM 1085 O LYS A 87 -9.366 -10.374 -3.436 1.00 0.93 O ATOM 1086 CB LYS A 87 -7.386 -12.767 -4.043 1.00 1.06 C ATOM 1087 CG LYS A 87 -6.356 -13.371 -4.983 1.00 1.85 C ATOM 1088 CD LYS A 87 -6.615 -14.845 -5.267 1.00 2.29 C ATOM 1089 CE LYS A 87 -6.486 -15.711 -4.020 1.00 3.21 C ATOM 1090 NZ LYS A 87 -7.747 -15.768 -3.229 1.00 3.93 N ATOM 0 H LYS A 87 -5.447 -11.853 -2.781 1.00 0.75 H new ATOM 0 HA LYS A 87 -7.212 -10.756 -4.770 1.00 0.89 H new ATOM 0 HB2 LYS A 87 -7.346 -13.287 -3.086 1.00 1.06 H new ATOM 0 HB3 LYS A 87 -8.383 -12.929 -4.453 1.00 1.06 H new ATOM 0 HG2 LYS A 87 -6.358 -12.818 -5.922 1.00 1.85 H new ATOM 0 HG3 LYS A 87 -5.363 -13.258 -4.549 1.00 1.85 H new ATOM 0 HD2 LYS A 87 -7.615 -14.961 -5.684 1.00 2.29 H new ATOM 0 HD3 LYS A 87 -5.912 -15.195 -6.023 1.00 2.29 H new ATOM 0 HE2 LYS A 87 -6.199 -16.721 -4.312 1.00 3.21 H new ATOM 0 HE3 LYS A 87 -5.685 -15.320 -3.392 1.00 3.21 H new ATOM 0 HZ1 LYS A 87 -7.578 -15.381 -2.279 1.00 3.93 H new ATOM 0 HZ2 LYS A 87 -8.482 -15.207 -3.706 1.00 3.93 H new ATOM 0 HZ3 LYS A 87 -8.063 -16.756 -3.150 1.00 3.93 H new ATOM 1104 N GLU A 88 -8.036 -10.583 -1.642 1.00 0.90 N ATOM 1105 CA GLU A 88 -9.020 -10.021 -0.725 1.00 0.98 C ATOM 1106 C GLU A 88 -9.199 -8.530 -0.974 1.00 0.96 C ATOM 1107 O GLU A 88 -10.324 -8.044 -1.098 1.00 1.02 O ATOM 1108 CB GLU A 88 -8.609 -10.261 0.728 1.00 1.06 C ATOM 1109 CG GLU A 88 -8.681 -11.719 1.150 1.00 1.16 C ATOM 1110 CD GLU A 88 -10.087 -12.274 1.086 1.00 1.87 C ATOM 1111 OE1 GLU A 88 -10.462 -12.851 0.047 1.00 2.43 O ATOM 1112 OE2 GLU A 88 -10.826 -12.142 2.089 1.00 2.58 O ATOM 0 H GLU A 88 -7.160 -10.867 -1.202 1.00 0.90 H new ATOM 0 HA GLU A 88 -9.970 -10.524 -0.906 1.00 0.98 H new ATOM 0 HB2 GLU A 88 -7.591 -9.900 0.873 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -9.252 -9.671 1.381 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -8.031 -12.312 0.507 1.00 1.16 H new ATOM 0 HG3 GLU A 88 -8.301 -11.818 2.167 1.00 1.16 H new ATOM 1119 N ILE A 89 -8.084 -7.811 -1.066 1.00 0.91 N ATOM 1120 CA ILE A 89 -8.118 -6.373 -1.297 1.00 0.93 C ATOM 1121 C ILE A 89 -8.800 -6.051 -2.622 1.00 0.87 C ATOM 1122 O ILE A 89 -9.684 -5.195 -2.676 1.00 0.91 O ATOM 1123 CB ILE A 89 -6.699 -5.755 -1.277 1.00 0.96 C ATOM 1124 CG1 ILE A 89 -6.057 -5.918 0.108 1.00 1.05 C ATOM 1125 CG2 ILE A 89 -6.742 -4.284 -1.672 1.00 1.03 C ATOM 1126 CD1 ILE A 89 -6.830 -5.253 1.229 1.00 1.17 C ATOM 0 H ILE A 89 -7.146 -8.202 -0.984 1.00 0.91 H new ATOM 0 HA ILE A 89 -8.693 -5.933 -0.482 1.00 0.93 H new ATOM 0 HB ILE A 89 -6.089 -6.288 -2.007 1.00 0.96 H new ATOM 0 HG12 ILE A 89 -5.959 -6.981 0.329 1.00 1.05 H new ATOM 0 HG13 ILE A 89 -5.049 -5.504 0.081 1.00 1.05 H new ATOM 0 HG21 ILE A 89 -5.733 -3.872 -1.651 1.00 1.03 H new ATOM 0 HG22 ILE A 89 -7.151 -4.189 -2.678 1.00 1.03 H new ATOM 0 HG23 ILE A 89 -7.372 -3.737 -0.971 1.00 1.03 H new ATOM 0 HD11 ILE A 89 -6.311 -5.414 2.174 1.00 1.17 H new ATOM 0 HD12 ILE A 89 -6.906 -4.183 1.034 1.00 1.17 H new ATOM 0 HD13 ILE A 89 -7.830 -5.683 1.286 1.00 1.17 H new ATOM 1138 N GLU A 90 -8.409 -6.754 -3.683 1.00 0.81 N ATOM 1139 CA GLU A 90 -8.989 -6.523 -5.003 1.00 0.79 C ATOM 1140 C GLU A 90 -10.487 -6.813 -5.005 1.00 0.79 C ATOM 1141 O GLU A 90 -11.260 -6.127 -5.671 1.00 0.79 O ATOM 1142 CB GLU A 90 -8.303 -7.382 -6.063 1.00 0.83 C ATOM 1143 CG GLU A 90 -6.866 -6.982 -6.337 1.00 1.35 C ATOM 1144 CD GLU A 90 -6.294 -7.699 -7.537 1.00 1.53 C ATOM 1145 OE1 GLU A 90 -6.529 -7.237 -8.674 1.00 1.94 O ATOM 1146 OE2 GLU A 90 -5.615 -8.729 -7.357 1.00 2.08 O ATOM 0 H GLU A 90 -7.697 -7.484 -3.655 1.00 0.81 H new ATOM 0 HA GLU A 90 -8.833 -5.471 -5.244 1.00 0.79 H new ATOM 0 HB2 GLU A 90 -8.326 -8.424 -5.744 1.00 0.83 H new ATOM 0 HB3 GLU A 90 -8.871 -7.320 -6.991 1.00 0.83 H new ATOM 0 HG2 GLU A 90 -6.815 -5.906 -6.501 1.00 1.35 H new ATOM 0 HG3 GLU A 90 -6.256 -7.201 -5.460 1.00 1.35 H new ATOM 1153 N LYS A 91 -10.883 -7.829 -4.252 1.00 0.85 N ATOM 1154 CA LYS A 91 -12.274 -8.230 -4.151 1.00 0.93 C ATOM 1155 C LYS A 91 -13.109 -7.129 -3.500 1.00 0.96 C ATOM 1156 O LYS A 91 -14.187 -6.778 -3.984 1.00 0.97 O ATOM 1157 CB LYS A 91 -12.345 -9.521 -3.339 1.00 1.11 C ATOM 1158 CG LYS A 91 -13.741 -9.942 -2.942 1.00 1.66 C ATOM 1159 CD LYS A 91 -13.694 -11.178 -2.065 1.00 1.93 C ATOM 1160 CE LYS A 91 -15.030 -11.428 -1.407 1.00 2.60 C ATOM 1161 NZ LYS A 91 -16.098 -11.702 -2.402 1.00 3.12 N ATOM 0 H LYS A 91 -10.246 -8.398 -3.694 1.00 0.85 H new ATOM 0 HA LYS A 91 -12.684 -8.400 -5.147 1.00 0.93 H new ATOM 0 HB2 LYS A 91 -11.889 -10.324 -3.918 1.00 1.11 H new ATOM 0 HB3 LYS A 91 -11.746 -9.400 -2.436 1.00 1.11 H new ATOM 0 HG2 LYS A 91 -14.234 -9.129 -2.409 1.00 1.66 H new ATOM 0 HG3 LYS A 91 -14.334 -10.144 -3.834 1.00 1.66 H new ATOM 0 HD2 LYS A 91 -13.413 -12.043 -2.665 1.00 1.93 H new ATOM 0 HD3 LYS A 91 -12.926 -11.057 -1.301 1.00 1.93 H new ATOM 0 HE2 LYS A 91 -14.945 -12.273 -0.724 1.00 2.60 H new ATOM 0 HE3 LYS A 91 -15.307 -10.561 -0.808 1.00 2.60 H new ATOM 0 HZ1 LYS A 91 -16.973 -11.968 -1.907 1.00 3.12 H new ATOM 0 HZ2 LYS A 91 -16.268 -10.849 -2.973 1.00 3.12 H new ATOM 0 HZ3 LYS A 91 -15.802 -12.481 -3.024 1.00 3.12 H new ATOM 1175 N LYS A 92 -12.593 -6.574 -2.412 1.00 1.03 N ATOM 1176 CA LYS A 92 -13.287 -5.514 -1.697 1.00 1.17 C ATOM 1177 C LYS A 92 -13.262 -4.213 -2.488 1.00 1.08 C ATOM 1178 O LYS A 92 -14.296 -3.572 -2.671 1.00 1.15 O ATOM 1179 CB LYS A 92 -12.661 -5.303 -0.320 1.00 1.37 C ATOM 1180 CG LYS A 92 -12.750 -6.527 0.570 1.00 1.59 C ATOM 1181 CD LYS A 92 -12.185 -6.249 1.949 1.00 1.81 C ATOM 1182 CE LYS A 92 -12.280 -7.474 2.839 1.00 2.18 C ATOM 1183 NZ LYS A 92 -11.817 -7.188 4.217 1.00 2.41 N ATOM 0 H LYS A 92 -11.696 -6.841 -2.006 1.00 1.03 H new ATOM 0 HA LYS A 92 -14.326 -5.818 -1.571 1.00 1.17 H new ATOM 0 HB2 LYS A 92 -11.614 -5.026 -0.443 1.00 1.37 H new ATOM 0 HB3 LYS A 92 -13.156 -4.466 0.173 1.00 1.37 H new ATOM 0 HG2 LYS A 92 -13.790 -6.840 0.658 1.00 1.59 H new ATOM 0 HG3 LYS A 92 -12.206 -7.353 0.112 1.00 1.59 H new ATOM 0 HD2 LYS A 92 -11.144 -5.939 1.862 1.00 1.81 H new ATOM 0 HD3 LYS A 92 -12.727 -5.421 2.407 1.00 1.81 H new ATOM 0 HE2 LYS A 92 -13.312 -7.824 2.867 1.00 2.18 H new ATOM 0 HE3 LYS A 92 -11.682 -8.280 2.414 1.00 2.18 H new ATOM 0 HZ1 LYS A 92 -12.251 -7.865 4.877 1.00 2.41 H new ATOM 0 HZ2 LYS A 92 -10.782 -7.277 4.261 1.00 2.41 H new ATOM 0 HZ3 LYS A 92 -12.092 -6.221 4.482 1.00 2.41 H new ATOM 1197 N ALA A 93 -12.084 -3.845 -2.977 1.00 0.98 N ATOM 1198 CA ALA A 93 -11.912 -2.606 -3.732 1.00 0.99 C ATOM 1199 C ALA A 93 -12.756 -2.611 -5.001 1.00 0.90 C ATOM 1200 O ALA A 93 -13.066 -1.557 -5.560 1.00 0.98 O ATOM 1201 CB ALA A 93 -10.446 -2.395 -4.073 1.00 1.01 C ATOM 0 H ALA A 93 -11.229 -4.389 -2.864 1.00 0.98 H new ATOM 0 HA ALA A 93 -12.251 -1.781 -3.106 1.00 0.99 H new ATOM 0 HB1 ALA A 93 -10.333 -1.468 -4.635 1.00 1.01 H new ATOM 0 HB2 ALA A 93 -9.864 -2.335 -3.154 1.00 1.01 H new ATOM 0 HB3 ALA A 93 -10.089 -3.231 -4.675 1.00 1.01 H new ATOM 1207 N ARG A 94 -13.128 -3.801 -5.444 1.00 0.82 N ATOM 1208 CA ARG A 94 -13.971 -3.957 -6.619 1.00 0.85 C ATOM 1209 C ARG A 94 -15.389 -3.476 -6.324 1.00 0.86 C ATOM 1210 O ARG A 94 -15.913 -2.606 -7.016 1.00 0.92 O ATOM 1211 CB ARG A 94 -13.991 -5.427 -7.067 1.00 0.93 C ATOM 1212 CG ARG A 94 -14.827 -5.689 -8.306 1.00 1.31 C ATOM 1213 CD ARG A 94 -14.703 -7.136 -8.750 1.00 1.63 C ATOM 1214 NE ARG A 94 -15.100 -8.071 -7.697 1.00 2.21 N ATOM 1215 CZ ARG A 94 -14.562 -9.280 -7.529 1.00 2.80 C ATOM 1216 NH1 ARG A 94 -13.586 -9.692 -8.328 1.00 2.96 N ATOM 1217 NH2 ARG A 94 -14.998 -10.073 -6.558 1.00 3.67 N ATOM 0 H ARG A 94 -12.857 -4.680 -5.003 1.00 0.82 H new ATOM 0 HA ARG A 94 -13.559 -3.350 -7.425 1.00 0.85 H new ATOM 0 HB2 ARG A 94 -12.968 -5.751 -7.258 1.00 0.93 H new ATOM 0 HB3 ARG A 94 -14.372 -6.039 -6.249 1.00 0.93 H new ATOM 0 HG2 ARG A 94 -15.872 -5.456 -8.100 1.00 1.31 H new ATOM 0 HG3 ARG A 94 -14.506 -5.029 -9.112 1.00 1.31 H new ATOM 0 HD2 ARG A 94 -15.323 -7.299 -9.631 1.00 1.63 H new ATOM 0 HD3 ARG A 94 -13.673 -7.338 -9.044 1.00 1.63 H new ATOM 0 HE ARG A 94 -15.834 -7.780 -7.051 1.00 2.21 H new ATOM 0 HH11 ARG A 94 -13.246 -9.084 -9.073 1.00 2.96 H new ATOM 0 HH12 ARG A 94 -13.176 -10.617 -8.197 1.00 2.96 H new ATOM 0 HH21 ARG A 94 -15.745 -9.758 -5.939 1.00 3.67 H new ATOM 0 HH22 ARG A 94 -14.586 -10.997 -6.431 1.00 3.67 H new ATOM 1231 N LYS A 95 -15.992 -4.013 -5.269 1.00 0.90 N ATOM 1232 CA LYS A 95 -17.378 -3.691 -4.946 1.00 1.02 C ATOM 1233 C LYS A 95 -17.497 -2.337 -4.247 1.00 1.02 C ATOM 1234 O LYS A 95 -18.571 -1.741 -4.220 1.00 1.15 O ATOM 1235 CB LYS A 95 -18.019 -4.799 -4.099 1.00 1.23 C ATOM 1236 CG LYS A 95 -17.332 -5.066 -2.770 1.00 1.55 C ATOM 1237 CD LYS A 95 -17.982 -6.243 -2.055 1.00 2.10 C ATOM 1238 CE LYS A 95 -17.323 -6.540 -0.719 1.00 2.52 C ATOM 1239 NZ LYS A 95 -17.546 -5.458 0.274 1.00 3.34 N ATOM 0 H LYS A 95 -15.547 -4.669 -4.627 1.00 0.90 H new ATOM 0 HA LYS A 95 -17.922 -3.623 -5.888 1.00 1.02 H new ATOM 0 HB2 LYS A 95 -19.059 -4.534 -3.907 1.00 1.23 H new ATOM 0 HB3 LYS A 95 -18.027 -5.722 -4.679 1.00 1.23 H new ATOM 0 HG2 LYS A 95 -16.275 -5.274 -2.937 1.00 1.55 H new ATOM 0 HG3 LYS A 95 -17.387 -4.177 -2.142 1.00 1.55 H new ATOM 0 HD2 LYS A 95 -19.039 -6.031 -1.897 1.00 2.10 H new ATOM 0 HD3 LYS A 95 -17.926 -7.127 -2.690 1.00 2.10 H new ATOM 0 HE2 LYS A 95 -17.714 -7.478 -0.325 1.00 2.52 H new ATOM 0 HE3 LYS A 95 -16.252 -6.678 -0.868 1.00 2.52 H new ATOM 0 HZ1 LYS A 95 -17.166 -5.750 1.197 1.00 3.34 H new ATOM 0 HZ2 LYS A 95 -17.063 -4.593 -0.041 1.00 3.34 H new ATOM 0 HZ3 LYS A 95 -18.566 -5.273 0.362 1.00 3.34 H new ATOM 1253 N LYS A 96 -16.392 -1.848 -3.692 1.00 0.97 N ATOM 1254 CA LYS A 96 -16.382 -0.530 -3.061 1.00 1.03 C ATOM 1255 C LYS A 96 -16.005 0.546 -4.077 1.00 0.96 C ATOM 1256 O LYS A 96 -16.080 1.742 -3.797 1.00 1.07 O ATOM 1257 CB LYS A 96 -15.404 -0.501 -1.879 1.00 1.15 C ATOM 1258 CG LYS A 96 -15.696 -1.547 -0.813 1.00 1.29 C ATOM 1259 CD LYS A 96 -16.989 -1.261 -0.063 1.00 1.68 C ATOM 1260 CE LYS A 96 -16.815 -0.147 0.960 1.00 1.78 C ATOM 1261 NZ LYS A 96 -15.849 -0.522 2.028 1.00 2.17 N ATOM 0 H LYS A 96 -15.498 -2.339 -3.666 1.00 0.97 H new ATOM 0 HA LYS A 96 -17.385 -0.326 -2.687 1.00 1.03 H new ATOM 0 HB2 LYS A 96 -14.391 -0.651 -2.254 1.00 1.15 H new ATOM 0 HB3 LYS A 96 -15.431 0.488 -1.421 1.00 1.15 H new ATOM 0 HG2 LYS A 96 -15.759 -2.530 -1.279 1.00 1.29 H new ATOM 0 HG3 LYS A 96 -14.868 -1.582 -0.105 1.00 1.29 H new ATOM 0 HD2 LYS A 96 -17.768 -0.983 -0.774 1.00 1.68 H new ATOM 0 HD3 LYS A 96 -17.325 -2.167 0.440 1.00 1.68 H new ATOM 0 HE2 LYS A 96 -16.469 0.756 0.458 1.00 1.78 H new ATOM 0 HE3 LYS A 96 -17.780 0.088 1.409 1.00 1.78 H new ATOM 0 HZ1 LYS A 96 -15.896 0.175 2.799 1.00 2.17 H new ATOM 0 HZ2 LYS A 96 -16.089 -1.464 2.398 1.00 2.17 H new ATOM 0 HZ3 LYS A 96 -14.886 -0.540 1.635 1.00 2.17 H new ATOM 1275 N ASN A 97 -15.605 0.082 -5.264 1.00 0.86 N ATOM 1276 CA ASN A 97 -15.171 0.943 -6.369 1.00 0.86 C ATOM 1277 C ASN A 97 -14.058 1.886 -5.919 1.00 0.87 C ATOM 1278 O ASN A 97 -14.124 3.100 -6.117 1.00 1.04 O ATOM 1279 CB ASN A 97 -16.348 1.735 -6.952 1.00 0.97 C ATOM 1280 CG ASN A 97 -16.002 2.404 -8.274 1.00 1.61 C ATOM 1281 OD1 ASN A 97 -15.152 1.922 -9.028 1.00 2.27 O ATOM 1282 ND2 ASN A 97 -16.660 3.514 -8.566 1.00 2.33 N ATOM 0 H ASN A 97 -15.573 -0.913 -5.488 1.00 0.86 H new ATOM 0 HA ASN A 97 -14.778 0.299 -7.156 1.00 0.86 H new ATOM 0 HB2 ASN A 97 -17.196 1.065 -7.098 1.00 0.97 H new ATOM 0 HB3 ASN A 97 -16.661 2.494 -6.235 1.00 0.97 H new ATOM 0 HD21 ASN A 97 -16.472 4.003 -9.441 1.00 2.33 H new ATOM 0 HD22 ASN A 97 -17.355 3.881 -7.916 1.00 2.33 H new ATOM 1289 N LEU A 98 -13.028 1.311 -5.322 1.00 0.78 N ATOM 1290 CA LEU A 98 -11.908 2.089 -4.814 1.00 0.84 C ATOM 1291 C LEU A 98 -10.642 1.684 -5.567 1.00 0.71 C ATOM 1292 O LEU A 98 -10.096 0.607 -5.324 1.00 0.65 O ATOM 1293 CB LEU A 98 -11.740 1.858 -3.301 1.00 1.00 C ATOM 1294 CG LEU A 98 -11.044 2.983 -2.520 1.00 1.40 C ATOM 1295 CD1 LEU A 98 -11.060 2.672 -1.033 1.00 1.70 C ATOM 1296 CD2 LEU A 98 -9.613 3.194 -2.993 1.00 2.08 C ATOM 0 H LEU A 98 -12.943 0.305 -5.176 1.00 0.78 H new ATOM 0 HA LEU A 98 -12.096 3.151 -4.971 1.00 0.84 H new ATOM 0 HB2 LEU A 98 -12.727 1.698 -2.866 1.00 1.00 H new ATOM 0 HB3 LEU A 98 -11.174 0.938 -3.155 1.00 1.00 H new ATOM 0 HG LEU A 98 -11.595 3.905 -2.704 1.00 1.40 H new ATOM 0 HD11 LEU A 98 -10.564 3.475 -0.488 1.00 1.70 H new ATOM 0 HD12 LEU A 98 -12.091 2.584 -0.691 1.00 1.70 H new ATOM 0 HD13 LEU A 98 -10.536 1.734 -0.852 1.00 1.70 H new ATOM 0 HD21 LEU A 98 -9.154 3.998 -2.417 1.00 2.08 H new ATOM 0 HD22 LEU A 98 -9.044 2.275 -2.851 1.00 2.08 H new ATOM 0 HD23 LEU A 98 -9.615 3.461 -4.050 1.00 2.08 H new ATOM 1308 N PRO A 99 -10.195 2.515 -6.527 1.00 0.83 N ATOM 1309 CA PRO A 99 -8.995 2.232 -7.322 1.00 0.85 C ATOM 1310 C PRO A 99 -7.768 1.910 -6.471 1.00 0.70 C ATOM 1311 O PRO A 99 -7.300 2.744 -5.692 1.00 0.77 O ATOM 1312 CB PRO A 99 -8.754 3.528 -8.100 1.00 1.15 C ATOM 1313 CG PRO A 99 -10.071 4.224 -8.143 1.00 1.25 C ATOM 1314 CD PRO A 99 -10.844 3.779 -6.928 1.00 1.10 C ATOM 0 HA PRO A 99 -9.146 1.353 -7.949 1.00 0.85 H new ATOM 0 HB2 PRO A 99 -8.001 4.145 -7.609 1.00 1.15 H new ATOM 0 HB3 PRO A 99 -8.389 3.319 -9.105 1.00 1.15 H new ATOM 0 HG2 PRO A 99 -9.936 5.306 -8.139 1.00 1.25 H new ATOM 0 HG3 PRO A 99 -10.610 3.973 -9.056 1.00 1.25 H new ATOM 0 HD2 PRO A 99 -10.795 4.521 -6.131 1.00 1.10 H new ATOM 0 HD3 PRO A 99 -11.898 3.629 -7.160 1.00 1.10 H new ATOM 1322 N VAL A 100 -7.244 0.702 -6.640 1.00 0.58 N ATOM 1323 CA VAL A 100 -6.022 0.292 -5.966 1.00 0.47 C ATOM 1324 C VAL A 100 -5.008 -0.215 -6.987 1.00 0.42 C ATOM 1325 O VAL A 100 -5.343 -0.990 -7.884 1.00 0.50 O ATOM 1326 CB VAL A 100 -6.271 -0.804 -4.894 1.00 0.46 C ATOM 1327 CG1 VAL A 100 -7.169 -0.280 -3.783 1.00 1.30 C ATOM 1328 CG2 VAL A 100 -6.870 -2.060 -5.509 1.00 1.35 C ATOM 0 H VAL A 100 -7.651 -0.014 -7.242 1.00 0.58 H new ATOM 0 HA VAL A 100 -5.632 1.170 -5.452 1.00 0.47 H new ATOM 0 HB VAL A 100 -5.304 -1.068 -4.466 1.00 0.46 H new ATOM 0 HG11 VAL A 100 -7.329 -1.065 -3.044 1.00 1.30 H new ATOM 0 HG12 VAL A 100 -6.694 0.577 -3.305 1.00 1.30 H new ATOM 0 HG13 VAL A 100 -8.128 0.024 -4.203 1.00 1.30 H new ATOM 0 HG21 VAL A 100 -7.031 -2.805 -4.730 1.00 1.35 H new ATOM 0 HG22 VAL A 100 -7.822 -1.816 -5.980 1.00 1.35 H new ATOM 0 HG23 VAL A 100 -6.187 -2.460 -6.258 1.00 1.35 H new ATOM 1338 N ARG A 101 -3.776 0.251 -6.870 1.00 0.43 N ATOM 1339 CA ARG A 101 -2.712 -0.182 -7.758 1.00 0.43 C ATOM 1340 C ARG A 101 -1.736 -1.066 -6.995 1.00 0.40 C ATOM 1341 O ARG A 101 -0.883 -0.575 -6.256 1.00 0.39 O ATOM 1342 CB ARG A 101 -1.991 1.027 -8.357 1.00 0.49 C ATOM 1343 CG ARG A 101 -0.934 0.656 -9.382 1.00 1.20 C ATOM 1344 CD ARG A 101 -0.299 1.890 -9.998 1.00 1.40 C ATOM 1345 NE ARG A 101 0.742 1.540 -10.960 1.00 2.23 N ATOM 1346 CZ ARG A 101 1.465 2.431 -11.635 1.00 2.89 C ATOM 1347 NH1 ARG A 101 1.239 3.730 -11.488 1.00 2.96 N ATOM 1348 NH2 ARG A 101 2.406 2.020 -12.470 1.00 3.87 N ATOM 0 H ARG A 101 -3.488 0.931 -6.166 1.00 0.43 H new ATOM 0 HA ARG A 101 -3.143 -0.758 -8.577 1.00 0.43 H new ATOM 0 HB2 ARG A 101 -2.725 1.683 -8.825 1.00 0.49 H new ATOM 0 HB3 ARG A 101 -1.523 1.595 -7.553 1.00 0.49 H new ATOM 0 HG2 ARG A 101 -0.164 0.047 -8.908 1.00 1.20 H new ATOM 0 HG3 ARG A 101 -1.384 0.047 -10.166 1.00 1.20 H new ATOM 0 HD2 ARG A 101 -1.066 2.485 -10.493 1.00 1.40 H new ATOM 0 HD3 ARG A 101 0.128 2.511 -9.210 1.00 1.40 H new ATOM 0 HE ARG A 101 0.927 0.551 -11.125 1.00 2.23 H new ATOM 0 HH11 ARG A 101 0.507 4.052 -10.854 1.00 2.96 H new ATOM 0 HH12 ARG A 101 1.797 4.407 -12.008 1.00 2.96 H new ATOM 0 HH21 ARG A 101 2.576 1.022 -12.595 1.00 3.87 H new ATOM 0 HH22 ARG A 101 2.961 2.701 -12.988 1.00 3.87 H new ATOM 1362 N ILE A 102 -1.878 -2.370 -7.165 1.00 0.43 N ATOM 1363 CA ILE A 102 -1.091 -3.328 -6.406 1.00 0.43 C ATOM 1364 C ILE A 102 0.142 -3.777 -7.183 1.00 0.45 C ATOM 1365 O ILE A 102 0.055 -4.112 -8.363 1.00 0.56 O ATOM 1366 CB ILE A 102 -1.931 -4.570 -6.036 1.00 0.54 C ATOM 1367 CG1 ILE A 102 -3.211 -4.151 -5.301 1.00 0.60 C ATOM 1368 CG2 ILE A 102 -1.114 -5.536 -5.187 1.00 0.60 C ATOM 1369 CD1 ILE A 102 -4.107 -5.309 -4.920 1.00 0.76 C ATOM 0 H ILE A 102 -2.533 -2.791 -7.824 1.00 0.43 H new ATOM 0 HA ILE A 102 -0.773 -2.822 -5.495 1.00 0.43 H new ATOM 0 HB ILE A 102 -2.215 -5.082 -6.956 1.00 0.54 H new ATOM 0 HG12 ILE A 102 -2.937 -3.604 -4.399 1.00 0.60 H new ATOM 0 HG13 ILE A 102 -3.772 -3.463 -5.933 1.00 0.60 H new ATOM 0 HG21 ILE A 102 -1.723 -6.405 -4.936 1.00 0.60 H new ATOM 0 HG22 ILE A 102 -0.235 -5.858 -5.746 1.00 0.60 H new ATOM 0 HG23 ILE A 102 -0.798 -5.037 -4.270 1.00 0.60 H new ATOM 0 HD11 ILE A 102 -4.990 -4.931 -4.405 1.00 0.76 H new ATOM 0 HD12 ILE A 102 -4.412 -5.844 -5.819 1.00 0.76 H new ATOM 0 HD13 ILE A 102 -3.565 -5.987 -4.261 1.00 0.76 H new ATOM 1381 N ARG A 103 1.287 -3.769 -6.515 1.00 0.41 N ATOM 1382 CA ARG A 103 2.528 -4.270 -7.089 1.00 0.50 C ATOM 1383 C ARG A 103 3.260 -5.146 -6.076 1.00 0.43 C ATOM 1384 O ARG A 103 3.483 -4.734 -4.937 1.00 0.53 O ATOM 1385 CB ARG A 103 3.447 -3.116 -7.510 1.00 0.65 C ATOM 1386 CG ARG A 103 2.991 -2.336 -8.742 1.00 1.12 C ATOM 1387 CD ARG A 103 3.116 -3.165 -10.038 1.00 1.27 C ATOM 1388 NE ARG A 103 2.111 -4.225 -10.121 1.00 1.83 N ATOM 1389 CZ ARG A 103 2.112 -5.186 -11.048 1.00 2.44 C ATOM 1390 NH1 ARG A 103 3.092 -5.258 -11.938 1.00 2.64 N ATOM 1391 NH2 ARG A 103 1.132 -6.078 -11.083 1.00 3.34 N ATOM 0 H ARG A 103 1.382 -3.416 -5.563 1.00 0.41 H new ATOM 0 HA ARG A 103 2.273 -4.858 -7.971 1.00 0.50 H new ATOM 0 HB2 ARG A 103 3.538 -2.422 -6.674 1.00 0.65 H new ATOM 0 HB3 ARG A 103 4.442 -3.517 -7.702 1.00 0.65 H new ATOM 0 HG2 ARG A 103 1.954 -2.026 -8.610 1.00 1.12 H new ATOM 0 HG3 ARG A 103 3.586 -1.428 -8.835 1.00 1.12 H new ATOM 0 HD2 ARG A 103 3.016 -2.505 -10.899 1.00 1.27 H new ATOM 0 HD3 ARG A 103 4.111 -3.607 -10.089 1.00 1.27 H new ATOM 0 HE ARG A 103 1.363 -4.230 -9.428 1.00 1.83 H new ATOM 0 HH11 ARG A 103 3.851 -4.577 -11.917 1.00 2.64 H new ATOM 0 HH12 ARG A 103 3.087 -5.995 -12.644 1.00 2.64 H new ATOM 0 HH21 ARG A 103 0.375 -6.031 -10.401 1.00 3.34 H new ATOM 0 HH22 ARG A 103 1.135 -6.811 -11.792 1.00 3.34 H new ATOM 1405 N LYS A 104 3.611 -6.353 -6.483 1.00 0.38 N ATOM 1406 CA LYS A 104 4.447 -7.214 -5.661 1.00 0.39 C ATOM 1407 C LYS A 104 5.907 -6.900 -5.925 1.00 0.37 C ATOM 1408 O LYS A 104 6.385 -7.045 -7.052 1.00 0.46 O ATOM 1409 CB LYS A 104 4.191 -8.697 -5.950 1.00 0.51 C ATOM 1410 CG LYS A 104 2.932 -9.273 -5.319 1.00 0.63 C ATOM 1411 CD LYS A 104 2.804 -10.751 -5.646 1.00 1.06 C ATOM 1412 CE LYS A 104 1.701 -11.423 -4.848 1.00 1.50 C ATOM 1413 NZ LYS A 104 1.630 -12.877 -5.144 1.00 1.91 N ATOM 0 H LYS A 104 3.332 -6.760 -7.376 1.00 0.38 H new ATOM 0 HA LYS A 104 4.198 -7.024 -4.617 1.00 0.39 H new ATOM 0 HB2 LYS A 104 4.133 -8.835 -7.030 1.00 0.51 H new ATOM 0 HB3 LYS A 104 5.049 -9.272 -5.601 1.00 0.51 H new ATOM 0 HG2 LYS A 104 2.963 -9.135 -4.238 1.00 0.63 H new ATOM 0 HG3 LYS A 104 2.056 -8.736 -5.684 1.00 0.63 H new ATOM 0 HD2 LYS A 104 2.603 -10.869 -6.711 1.00 1.06 H new ATOM 0 HD3 LYS A 104 3.752 -11.249 -5.443 1.00 1.06 H new ATOM 0 HE2 LYS A 104 1.878 -11.275 -3.783 1.00 1.50 H new ATOM 0 HE3 LYS A 104 0.744 -10.955 -5.080 1.00 1.50 H new ATOM 0 HZ1 LYS A 104 0.805 -13.289 -4.663 1.00 1.91 H new ATOM 0 HZ2 LYS A 104 1.539 -13.018 -6.170 1.00 1.91 H new ATOM 0 HZ3 LYS A 104 2.496 -13.343 -4.806 1.00 1.91 H new ATOM 1427 N VAL A 105 6.617 -6.478 -4.897 1.00 0.35 N ATOM 1428 CA VAL A 105 8.006 -6.088 -5.050 1.00 0.39 C ATOM 1429 C VAL A 105 8.829 -6.561 -3.869 1.00 0.46 C ATOM 1430 O VAL A 105 8.431 -6.407 -2.715 1.00 0.52 O ATOM 1431 CB VAL A 105 8.191 -4.549 -5.201 1.00 0.43 C ATOM 1432 CG1 VAL A 105 7.588 -4.029 -6.498 1.00 0.43 C ATOM 1433 CG2 VAL A 105 7.603 -3.793 -4.014 1.00 0.55 C ATOM 0 H VAL A 105 6.256 -6.396 -3.947 1.00 0.35 H new ATOM 0 HA VAL A 105 8.350 -6.563 -5.969 1.00 0.39 H new ATOM 0 HB VAL A 105 9.266 -4.369 -5.228 1.00 0.43 H new ATOM 0 HG11 VAL A 105 7.739 -2.951 -6.563 1.00 0.43 H new ATOM 0 HG12 VAL A 105 8.072 -4.515 -7.345 1.00 0.43 H new ATOM 0 HG13 VAL A 105 6.520 -4.247 -6.516 1.00 0.43 H new ATOM 0 HG21 VAL A 105 7.751 -2.722 -4.155 1.00 0.55 H new ATOM 0 HG22 VAL A 105 6.536 -4.005 -3.940 1.00 0.55 H new ATOM 0 HG23 VAL A 105 8.101 -4.111 -3.098 1.00 0.55 H new ATOM 1443 N THR A 106 9.968 -7.155 -4.160 1.00 0.52 N ATOM 1444 CA THR A 106 10.922 -7.461 -3.125 1.00 0.61 C ATOM 1445 C THR A 106 12.218 -6.714 -3.422 1.00 0.58 C ATOM 1446 O THR A 106 13.109 -7.202 -4.120 1.00 0.67 O ATOM 1447 CB THR A 106 11.149 -8.992 -3.017 1.00 0.80 C ATOM 1448 OG1 THR A 106 12.173 -9.286 -2.057 1.00 1.32 O ATOM 1449 CG2 THR A 106 11.494 -9.613 -4.366 1.00 1.64 C ATOM 0 H THR A 106 10.251 -7.432 -5.100 1.00 0.52 H new ATOM 0 HA THR A 106 10.539 -7.135 -2.158 1.00 0.61 H new ATOM 0 HB THR A 106 10.211 -9.434 -2.680 1.00 0.80 H new ATOM 0 HG1 THR A 106 11.772 -9.374 -1.167 1.00 1.32 H new ATOM 0 HG21 THR A 106 11.645 -10.686 -4.245 1.00 1.64 H new ATOM 0 HG22 THR A 106 10.677 -9.438 -5.067 1.00 1.64 H new ATOM 0 HG23 THR A 106 12.407 -9.160 -4.752 1.00 1.64 H new ATOM 1457 N SER A 107 12.301 -5.516 -2.868 1.00 0.50 N ATOM 1458 CA SER A 107 13.434 -4.631 -3.062 1.00 0.51 C ATOM 1459 C SER A 107 13.167 -3.321 -2.341 1.00 0.45 C ATOM 1460 O SER A 107 12.184 -2.639 -2.636 1.00 0.44 O ATOM 1461 CB SER A 107 13.662 -4.361 -4.555 1.00 0.56 C ATOM 1462 OG SER A 107 14.661 -3.372 -4.755 1.00 1.36 O ATOM 0 H SER A 107 11.576 -5.128 -2.265 1.00 0.50 H new ATOM 0 HA SER A 107 14.329 -5.105 -2.658 1.00 0.51 H new ATOM 0 HB2 SER A 107 13.957 -5.285 -5.053 1.00 0.56 H new ATOM 0 HB3 SER A 107 12.729 -4.036 -5.014 1.00 0.56 H new ATOM 0 HG SER A 107 15.124 -3.541 -5.602 1.00 1.36 H new ATOM 1468 N PRO A 108 14.019 -2.951 -1.376 1.00 0.47 N ATOM 1469 CA PRO A 108 13.887 -1.676 -0.679 1.00 0.49 C ATOM 1470 C PRO A 108 14.063 -0.504 -1.634 1.00 0.43 C ATOM 1471 O PRO A 108 13.518 0.574 -1.419 1.00 0.47 O ATOM 1472 CB PRO A 108 15.003 -1.695 0.365 1.00 0.63 C ATOM 1473 CG PRO A 108 15.952 -2.764 -0.069 1.00 0.69 C ATOM 1474 CD PRO A 108 15.161 -3.742 -0.891 1.00 0.55 C ATOM 0 HA PRO A 108 12.900 -1.553 -0.234 1.00 0.49 H new ATOM 0 HB2 PRO A 108 15.503 -0.728 0.420 1.00 0.63 H new ATOM 0 HB3 PRO A 108 14.605 -1.905 1.358 1.00 0.63 H new ATOM 0 HG2 PRO A 108 16.769 -2.341 -0.653 1.00 0.69 H new ATOM 0 HG3 PRO A 108 16.399 -3.257 0.794 1.00 0.69 H new ATOM 0 HD2 PRO A 108 15.751 -4.140 -1.716 1.00 0.55 H new ATOM 0 HD3 PRO A 108 14.833 -4.593 -0.294 1.00 0.55 H new ATOM 1482 N ASP A 109 14.816 -0.736 -2.703 1.00 0.46 N ATOM 1483 CA ASP A 109 15.046 0.283 -3.717 1.00 0.50 C ATOM 1484 C ASP A 109 13.780 0.520 -4.523 1.00 0.41 C ATOM 1485 O ASP A 109 13.323 1.656 -4.662 1.00 0.44 O ATOM 1486 CB ASP A 109 16.175 -0.130 -4.662 1.00 0.64 C ATOM 1487 CG ASP A 109 17.453 -0.457 -3.929 1.00 1.56 C ATOM 1488 OD1 ASP A 109 18.075 0.464 -3.361 1.00 2.22 O ATOM 1489 OD2 ASP A 109 17.844 -1.643 -3.917 1.00 2.37 O ATOM 0 H ASP A 109 15.279 -1.626 -2.889 1.00 0.46 H new ATOM 0 HA ASP A 109 15.332 1.203 -3.206 1.00 0.50 H new ATOM 0 HB2 ASP A 109 15.860 -0.998 -5.241 1.00 0.64 H new ATOM 0 HB3 ASP A 109 16.363 0.676 -5.372 1.00 0.64 H new ATOM 1494 N GLU A 110 13.206 -0.560 -5.041 1.00 0.38 N ATOM 1495 CA GLU A 110 12.005 -0.467 -5.856 1.00 0.38 C ATOM 1496 C GLU A 110 10.818 0.027 -5.038 1.00 0.36 C ATOM 1497 O GLU A 110 9.939 0.708 -5.562 1.00 0.42 O ATOM 1498 CB GLU A 110 11.683 -1.810 -6.504 1.00 0.43 C ATOM 1499 CG GLU A 110 12.717 -2.249 -7.527 1.00 0.68 C ATOM 1500 CD GLU A 110 12.924 -1.216 -8.616 1.00 1.32 C ATOM 1501 OE1 GLU A 110 12.092 -1.149 -9.546 1.00 2.01 O ATOM 1502 OE2 GLU A 110 13.919 -0.471 -8.553 1.00 2.12 O ATOM 0 H GLU A 110 13.555 -1.510 -4.910 1.00 0.38 H new ATOM 0 HA GLU A 110 12.198 0.260 -6.645 1.00 0.38 H new ATOM 0 HB2 GLU A 110 11.605 -2.571 -5.727 1.00 0.43 H new ATOM 0 HB3 GLU A 110 10.708 -1.747 -6.987 1.00 0.43 H new ATOM 0 HG2 GLU A 110 13.665 -2.438 -7.024 1.00 0.68 H new ATOM 0 HG3 GLU A 110 12.402 -3.190 -7.977 1.00 0.68 H new ATOM 1509 N ALA A 111 10.804 -0.313 -3.753 1.00 0.33 N ATOM 1510 CA ALA A 111 9.770 0.173 -2.850 1.00 0.35 C ATOM 1511 C ALA A 111 9.761 1.696 -2.833 1.00 0.34 C ATOM 1512 O ALA A 111 8.709 2.326 -2.928 1.00 0.41 O ATOM 1513 CB ALA A 111 9.986 -0.374 -1.447 1.00 0.38 C ATOM 0 H ALA A 111 11.496 -0.922 -3.316 1.00 0.33 H new ATOM 0 HA ALA A 111 8.802 -0.178 -3.208 1.00 0.35 H new ATOM 0 HB1 ALA A 111 9.204 -0.000 -0.786 1.00 0.38 H new ATOM 0 HB2 ALA A 111 9.950 -1.463 -1.472 1.00 0.38 H new ATOM 0 HB3 ALA A 111 10.959 -0.051 -1.076 1.00 0.38 H new ATOM 1519 N LYS A 112 10.950 2.279 -2.742 1.00 0.32 N ATOM 1520 CA LYS A 112 11.094 3.730 -2.746 1.00 0.34 C ATOM 1521 C LYS A 112 10.719 4.302 -4.112 1.00 0.37 C ATOM 1522 O LYS A 112 10.158 5.394 -4.203 1.00 0.42 O ATOM 1523 CB LYS A 112 12.531 4.126 -2.395 1.00 0.40 C ATOM 1524 CG LYS A 112 13.017 3.563 -1.068 1.00 0.48 C ATOM 1525 CD LYS A 112 14.511 3.787 -0.881 1.00 0.62 C ATOM 1526 CE LYS A 112 14.833 5.228 -0.525 1.00 1.11 C ATOM 1527 NZ LYS A 112 14.452 5.553 0.874 1.00 1.51 N ATOM 0 H LYS A 112 11.830 1.769 -2.664 1.00 0.32 H new ATOM 0 HA LYS A 112 10.420 4.141 -1.995 1.00 0.34 H new ATOM 0 HB2 LYS A 112 13.196 3.785 -3.189 1.00 0.40 H new ATOM 0 HB3 LYS A 112 12.601 5.213 -2.365 1.00 0.40 H new ATOM 0 HG2 LYS A 112 12.472 4.034 -0.250 1.00 0.48 H new ATOM 0 HG3 LYS A 112 12.799 2.496 -1.023 1.00 0.48 H new ATOM 0 HD2 LYS A 112 14.880 3.129 -0.095 1.00 0.62 H new ATOM 0 HD3 LYS A 112 15.035 3.515 -1.797 1.00 0.62 H new ATOM 0 HE2 LYS A 112 15.900 5.406 -0.661 1.00 1.11 H new ATOM 0 HE3 LYS A 112 14.309 5.896 -1.208 1.00 1.11 H new ATOM 0 HZ1 LYS A 112 14.838 6.484 1.132 1.00 1.51 H new ATOM 0 HZ2 LYS A 112 13.415 5.573 0.956 1.00 1.51 H new ATOM 0 HZ3 LYS A 112 14.836 4.830 1.515 1.00 1.51 H new ATOM 1541 N ARG A 113 11.028 3.551 -5.168 1.00 0.38 N ATOM 1542 CA ARG A 113 10.722 3.968 -6.536 1.00 0.46 C ATOM 1543 C ARG A 113 9.228 4.196 -6.734 1.00 0.43 C ATOM 1544 O ARG A 113 8.802 5.299 -7.081 1.00 0.50 O ATOM 1545 CB ARG A 113 11.200 2.918 -7.544 1.00 0.57 C ATOM 1546 CG ARG A 113 10.575 3.090 -8.920 1.00 0.77 C ATOM 1547 CD ARG A 113 10.739 1.851 -9.780 1.00 1.01 C ATOM 1548 NE ARG A 113 9.918 1.914 -10.985 1.00 1.68 N ATOM 1549 CZ ARG A 113 9.823 0.925 -11.870 1.00 2.13 C ATOM 1550 NH1 ARG A 113 10.486 -0.211 -11.678 1.00 1.97 N ATOM 1551 NH2 ARG A 113 9.049 1.062 -12.937 1.00 2.96 N ATOM 0 H ARG A 113 11.493 2.645 -5.102 1.00 0.38 H new ATOM 0 HA ARG A 113 11.247 4.908 -6.705 1.00 0.46 H new ATOM 0 HB2 ARG A 113 12.285 2.975 -7.634 1.00 0.57 H new ATOM 0 HB3 ARG A 113 10.964 1.924 -7.165 1.00 0.57 H new ATOM 0 HG2 ARG A 113 9.515 3.317 -8.810 1.00 0.77 H new ATOM 0 HG3 ARG A 113 11.033 3.942 -9.422 1.00 0.77 H new ATOM 0 HD2 ARG A 113 11.787 1.739 -10.060 1.00 1.01 H new ATOM 0 HD3 ARG A 113 10.467 0.968 -9.201 1.00 1.01 H new ATOM 0 HE ARG A 113 9.386 2.766 -11.159 1.00 1.68 H new ATOM 0 HH11 ARG A 113 11.070 -0.327 -10.850 1.00 1.97 H new ATOM 0 HH12 ARG A 113 10.411 -0.967 -12.359 1.00 1.97 H new ATOM 0 HH21 ARG A 113 8.526 1.926 -13.080 1.00 2.96 H new ATOM 0 HH22 ARG A 113 8.976 0.304 -13.615 1.00 2.96 H new ATOM 1565 N TRP A 114 8.439 3.145 -6.514 1.00 0.39 N ATOM 1566 CA TRP A 114 7.006 3.191 -6.781 1.00 0.39 C ATOM 1567 C TRP A 114 6.329 4.290 -5.975 1.00 0.40 C ATOM 1568 O TRP A 114 5.431 4.967 -6.468 1.00 0.46 O ATOM 1569 CB TRP A 114 6.355 1.839 -6.486 1.00 0.38 C ATOM 1570 CG TRP A 114 6.731 0.771 -7.470 1.00 0.38 C ATOM 1571 CD1 TRP A 114 7.571 -0.283 -7.260 1.00 0.34 C ATOM 1572 CD2 TRP A 114 6.277 0.658 -8.824 1.00 0.66 C ATOM 1573 NE1 TRP A 114 7.665 -1.046 -8.399 1.00 0.40 N ATOM 1574 CE2 TRP A 114 6.881 -0.489 -9.373 1.00 0.63 C ATOM 1575 CE3 TRP A 114 5.417 1.414 -9.626 1.00 1.00 C ATOM 1576 CZ2 TRP A 114 6.652 -0.895 -10.686 1.00 0.92 C ATOM 1577 CZ3 TRP A 114 5.192 1.011 -10.928 1.00 1.29 C ATOM 1578 CH2 TRP A 114 5.807 -0.135 -11.446 1.00 1.25 C ATOM 0 H TRP A 114 8.771 2.251 -6.151 1.00 0.39 H new ATOM 0 HA TRP A 114 6.875 3.417 -7.839 1.00 0.39 H new ATOM 0 HB2 TRP A 114 6.641 1.517 -5.485 1.00 0.38 H new ATOM 0 HB3 TRP A 114 5.271 1.958 -6.486 1.00 0.38 H new ATOM 0 HD1 TRP A 114 8.087 -0.488 -6.334 1.00 0.34 H new ATOM 0 HE1 TRP A 114 8.228 -1.890 -8.502 1.00 0.40 H new ATOM 0 HE3 TRP A 114 4.937 2.298 -9.234 1.00 1.00 H new ATOM 0 HZ2 TRP A 114 7.125 -1.778 -11.089 1.00 0.92 H new ATOM 0 HZ3 TRP A 114 4.531 1.589 -11.556 1.00 1.29 H new ATOM 0 HH2 TRP A 114 5.610 -0.425 -12.468 1.00 1.25 H new ATOM 1589 N ILE A 115 6.779 4.476 -4.746 1.00 0.38 N ATOM 1590 CA ILE A 115 6.227 5.511 -3.883 1.00 0.41 C ATOM 1591 C ILE A 115 6.578 6.902 -4.416 1.00 0.47 C ATOM 1592 O ILE A 115 5.776 7.834 -4.339 1.00 0.55 O ATOM 1593 CB ILE A 115 6.738 5.357 -2.433 1.00 0.40 C ATOM 1594 CG1 ILE A 115 6.257 4.024 -1.845 1.00 0.40 C ATOM 1595 CG2 ILE A 115 6.280 6.522 -1.565 1.00 0.45 C ATOM 1596 CD1 ILE A 115 6.734 3.770 -0.432 1.00 0.44 C ATOM 0 H ILE A 115 7.525 3.925 -4.322 1.00 0.38 H new ATOM 0 HA ILE A 115 5.143 5.397 -3.880 1.00 0.41 H new ATOM 0 HB ILE A 115 7.828 5.362 -2.450 1.00 0.40 H new ATOM 0 HG12 ILE A 115 5.167 4.004 -1.859 1.00 0.40 H new ATOM 0 HG13 ILE A 115 6.599 3.211 -2.485 1.00 0.40 H new ATOM 0 HG21 ILE A 115 6.654 6.388 -0.550 1.00 0.45 H new ATOM 0 HG22 ILE A 115 6.668 7.455 -1.974 1.00 0.45 H new ATOM 0 HG23 ILE A 115 5.191 6.558 -1.549 1.00 0.45 H new ATOM 0 HD11 ILE A 115 6.353 2.809 -0.087 1.00 0.44 H new ATOM 0 HD12 ILE A 115 7.824 3.756 -0.413 1.00 0.44 H new ATOM 0 HD13 ILE A 115 6.369 4.561 0.223 1.00 0.44 H new ATOM 1608 N LYS A 116 7.765 7.023 -4.993 1.00 0.50 N ATOM 1609 CA LYS A 116 8.251 8.287 -5.501 1.00 0.60 C ATOM 1610 C LYS A 116 7.506 8.686 -6.772 1.00 0.57 C ATOM 1611 O LYS A 116 6.905 9.757 -6.836 1.00 0.69 O ATOM 1612 CB LYS A 116 9.757 8.180 -5.774 1.00 0.73 C ATOM 1613 CG LYS A 116 10.339 9.372 -6.507 1.00 1.18 C ATOM 1614 CD LYS A 116 10.228 10.645 -5.691 1.00 1.85 C ATOM 1615 CE LYS A 116 10.330 11.855 -6.591 1.00 2.50 C ATOM 1616 NZ LYS A 116 10.246 13.132 -5.835 1.00 3.13 N ATOM 0 H LYS A 116 8.413 6.246 -5.120 1.00 0.50 H new ATOM 0 HA LYS A 116 8.073 9.060 -4.754 1.00 0.60 H new ATOM 0 HB2 LYS A 116 10.280 8.060 -4.825 1.00 0.73 H new ATOM 0 HB3 LYS A 116 9.946 7.280 -6.358 1.00 0.73 H new ATOM 0 HG2 LYS A 116 11.386 9.180 -6.739 1.00 1.18 H new ATOM 0 HG3 LYS A 116 9.821 9.503 -7.457 1.00 1.18 H new ATOM 0 HD2 LYS A 116 9.279 10.660 -5.156 1.00 1.85 H new ATOM 0 HD3 LYS A 116 11.018 10.674 -4.940 1.00 1.85 H new ATOM 0 HE2 LYS A 116 11.273 11.820 -7.137 1.00 2.50 H new ATOM 0 HE3 LYS A 116 9.532 11.821 -7.332 1.00 2.50 H new ATOM 0 HZ1 LYS A 116 10.321 13.932 -6.495 1.00 3.13 H new ATOM 0 HZ2 LYS A 116 9.336 13.180 -5.335 1.00 3.13 H new ATOM 0 HZ3 LYS A 116 11.023 13.179 -5.145 1.00 3.13 H new ATOM 1630 N GLU A 117 7.521 7.807 -7.765 1.00 0.53 N ATOM 1631 CA GLU A 117 6.976 8.133 -9.078 1.00 0.58 C ATOM 1632 C GLU A 117 5.452 8.239 -9.050 1.00 0.57 C ATOM 1633 O GLU A 117 4.862 8.997 -9.823 1.00 0.66 O ATOM 1634 CB GLU A 117 7.416 7.099 -10.117 1.00 0.70 C ATOM 1635 CG GLU A 117 6.916 5.689 -9.852 1.00 1.28 C ATOM 1636 CD GLU A 117 7.187 4.766 -11.017 1.00 1.51 C ATOM 1637 OE1 GLU A 117 8.211 4.051 -10.996 1.00 2.14 O ATOM 1638 OE2 GLU A 117 6.389 4.772 -11.979 1.00 1.93 O ATOM 0 H GLU A 117 7.903 6.865 -7.688 1.00 0.53 H new ATOM 0 HA GLU A 117 7.371 9.109 -9.360 1.00 0.58 H new ATOM 0 HB2 GLU A 117 7.065 7.417 -11.099 1.00 0.70 H new ATOM 0 HB3 GLU A 117 8.505 7.083 -10.157 1.00 0.70 H new ATOM 0 HG2 GLU A 117 7.398 5.295 -8.957 1.00 1.28 H new ATOM 0 HG3 GLU A 117 5.845 5.715 -9.652 1.00 1.28 H new ATOM 1645 N PHE A 118 4.819 7.493 -8.157 1.00 0.56 N ATOM 1646 CA PHE A 118 3.366 7.505 -8.053 1.00 0.66 C ATOM 1647 C PHE A 118 2.894 8.776 -7.356 1.00 0.73 C ATOM 1648 O PHE A 118 1.740 9.186 -7.491 1.00 0.88 O ATOM 1649 CB PHE A 118 2.892 6.248 -7.322 1.00 0.73 C ATOM 1650 CG PHE A 118 1.403 6.028 -7.335 1.00 0.69 C ATOM 1651 CD1 PHE A 118 0.774 5.557 -8.475 1.00 1.33 C ATOM 1652 CD2 PHE A 118 0.641 6.270 -6.204 1.00 1.27 C ATOM 1653 CE1 PHE A 118 -0.589 5.334 -8.489 1.00 1.57 C ATOM 1654 CE2 PHE A 118 -0.723 6.050 -6.213 1.00 1.56 C ATOM 1655 CZ PHE A 118 -1.339 5.581 -7.357 1.00 1.41 C ATOM 0 H PHE A 118 5.286 6.873 -7.495 1.00 0.56 H new ATOM 0 HA PHE A 118 2.929 7.501 -9.052 1.00 0.66 H new ATOM 0 HB2 PHE A 118 3.376 5.381 -7.771 1.00 0.73 H new ATOM 0 HB3 PHE A 118 3.227 6.300 -6.286 1.00 0.73 H new ATOM 0 HD1 PHE A 118 1.356 5.362 -9.364 1.00 1.33 H new ATOM 0 HD2 PHE A 118 1.118 6.634 -5.306 1.00 1.27 H new ATOM 0 HE1 PHE A 118 -1.067 4.967 -9.385 1.00 1.57 H new ATOM 0 HE2 PHE A 118 -1.307 6.245 -5.326 1.00 1.56 H new ATOM 0 HZ PHE A 118 -2.405 5.408 -7.366 1.00 1.41 H new ATOM 1665 N SER A 119 3.806 9.416 -6.637 1.00 0.69 N ATOM 1666 CA SER A 119 3.518 10.700 -6.011 1.00 0.80 C ATOM 1667 C SER A 119 3.609 11.822 -7.038 1.00 0.79 C ATOM 1668 O SER A 119 3.156 12.942 -6.796 1.00 0.90 O ATOM 1669 CB SER A 119 4.480 10.965 -4.850 1.00 0.93 C ATOM 1670 OG SER A 119 4.327 9.986 -3.836 1.00 1.20 O ATOM 0 H SER A 119 4.751 9.068 -6.473 1.00 0.69 H new ATOM 0 HA SER A 119 2.503 10.668 -5.615 1.00 0.80 H new ATOM 0 HB2 SER A 119 5.507 10.960 -5.215 1.00 0.93 H new ATOM 0 HB3 SER A 119 4.293 11.956 -4.436 1.00 0.93 H new ATOM 0 HG SER A 119 5.074 9.353 -3.878 1.00 1.20 H new ATOM 1676 N GLU A 120 4.183 11.507 -8.193 1.00 0.81 N ATOM 1677 CA GLU A 120 4.336 12.479 -9.262 1.00 0.96 C ATOM 1678 C GLU A 120 3.173 12.361 -10.243 1.00 1.17 C ATOM 1679 O GLU A 120 3.011 13.186 -11.141 1.00 1.50 O ATOM 1680 CB GLU A 120 5.663 12.259 -9.993 1.00 1.08 C ATOM 1681 CG GLU A 120 6.864 12.117 -9.064 1.00 1.41 C ATOM 1682 CD GLU A 120 7.096 13.336 -8.193 1.00 2.00 C ATOM 1683 OE1 GLU A 120 7.822 14.252 -8.627 1.00 2.45 O ATOM 1684 OE2 GLU A 120 6.567 13.384 -7.065 1.00 2.77 O ATOM 0 H GLU A 120 4.551 10.581 -8.411 1.00 0.81 H new ATOM 0 HA GLU A 120 4.337 13.480 -8.830 1.00 0.96 H new ATOM 0 HB2 GLU A 120 5.584 11.362 -10.608 1.00 1.08 H new ATOM 0 HB3 GLU A 120 5.837 13.095 -10.670 1.00 1.08 H new ATOM 0 HG2 GLU A 120 6.720 11.245 -8.426 1.00 1.41 H new ATOM 0 HG3 GLU A 120 7.757 11.931 -9.661 1.00 1.41 H new ATOM 1691 N GLU A 121 2.366 11.321 -10.058 1.00 1.22 N ATOM 1692 CA GLU A 121 1.215 11.074 -10.915 1.00 1.56 C ATOM 1693 C GLU A 121 -0.002 11.833 -10.406 1.00 2.02 C ATOM 1694 O GLU A 121 -0.147 13.024 -10.743 1.00 2.60 O ATOM 1695 CB GLU A 121 0.910 9.576 -10.971 1.00 1.96 C ATOM 1696 CG GLU A 121 1.992 8.756 -11.650 1.00 2.47 C ATOM 1697 CD GLU A 121 2.115 9.074 -13.124 1.00 3.35 C ATOM 1698 OE1 GLU A 121 2.955 9.922 -13.490 1.00 4.00 O ATOM 1699 OE2 GLU A 121 1.368 8.475 -13.930 1.00 3.84 O ATOM 1700 OXT GLU A 121 -0.803 11.241 -9.652 1.00 2.53 O ATOM 0 H GLU A 121 2.491 10.632 -9.316 1.00 1.22 H new ATOM 0 HA GLU A 121 1.451 11.426 -11.919 1.00 1.56 H new ATOM 0 HB2 GLU A 121 0.769 9.205 -9.956 1.00 1.96 H new ATOM 0 HB3 GLU A 121 -0.032 9.426 -11.499 1.00 1.96 H new ATOM 0 HG2 GLU A 121 2.947 8.943 -11.160 1.00 2.47 H new ATOM 0 HG3 GLU A 121 1.772 7.696 -11.527 1.00 2.47 H new