USER MOD reduce.3.24.130724 H: found=0, std=0, add=1113, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 936 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 GLN : amide:sc= -2.41 K(o=-5.5,f=-7.4!) USER MOD Set 1.2: A 17 MET CE :methyl -155:sc= -1.83 (180deg=-0.184) USER MOD Set 1.3: A 36 HIS :FLIP no HD1:sc= -1.24 F(o=-7.1,f=-5.5) USER MOD Single : A 1 CYS N :NH3+ 167:sc= -0.0781 (180deg=-0.289) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= -1.01 K(o=-1,f=-3!) USER MOD Single : A 11 THR OG1 : rot -13:sc= 0.704 USER MOD Single : A 15 SER OG : rot -48:sc= 0.0102 USER MOD Single : A 18 SER OG : rot 60:sc= 1.22 USER MOD Single : A 20 SER OG : rot 80:sc= 1.5 USER MOD Single : A 21 SER OG : rot 160:sc= -0.77 USER MOD Single : A 22 SER OG : rot -122:sc= 1.32 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN :FLIP amide:sc= -0.246 F(o=-2.9,f=-0.25) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -154:sc= 0.0622 (180deg=-0.339!) USER MOD Single : A 47 ASN : amide:sc= -2.76! C(o=-2.8!,f=-4.1!) USER MOD Single : A 50 THR OG1 : rot -150:sc= -1.15 USER MOD Single : A 52 GLN :FLIP amide:sc= 0.0531 F(o=-1.7,f=0.053) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0201 USER MOD Single : A 54 ASN :FLIP amide:sc= -2.58 F(o=-3.2,f=-2.6) USER MOD Single : A 55 SER OG : rot 180:sc= 0.189 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0.225 X(o=0.23,f=0) USER MOD Single : A 66 THR OG1 : rot -43:sc= 0.539 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 71 THR OG1 : rot -80:sc= -1.19 USER MOD Single : A 75 THR OG1 : rot 52:sc= 0.886 USER MOD Single : A 76 GLN : amide:sc= -0.189 K(o=-0.19,f=-2.2!) USER MOD Single : A 83 HIS : no HD1:sc= -0.0334 X(o=-0.033,f=-0.23) USER MOD Single : A 85 GLN : amide:sc= -1.75 K(o=-1.8,f=-5.4!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -1.29 USER MOD Single : A 90 TYR OH : rot 180:sc= -0.19 USER MOD Single : A 91 LYS NZ :NH3+ -113:sc= -1.91 (180deg=-3.21!) USER MOD Single : A 94 HIS : no HE2:sc= -2.92 K(o=-2.9,f=-5.1!) USER MOD Single : A 95 SER OG : rot 56:sc= 0.859 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 150:sc= -0.0704 (180deg=-0.553) USER MOD Single : A 114 GLN : amide:sc= -1.64 X(o=-1.6,f=-1.3) USER MOD Single : A 116 ASN : amide:sc= -1.25 K(o=-1.2,f=-1.8) USER MOD Single : A 119 ASN : amide:sc= -2.59! C(o=-2.6!,f=-4.5!) USER MOD Single : A 120 ASN : amide:sc= -0.0774 K(o=-0.077,f=-0.81) USER MOD Single : A 121 SER OG : rot 180:sc= 0.00734 USER MOD Single : A 122 HIS : no HD1:sc= -0.97 K(o=-0.97,f=-2.6!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -1.01 K(o=-1,f=-2.9) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl 175:sc= -0.64 (180deg=-0.695) USER MOD Single : A 135 TYR OH : rot 180:sc= -1.06 USER MOD Single : A 142 SER OG : rot 180:sc= -0.149 USER MOD Single : A 144 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 145 ASN : amide:sc= -0.281 X(o=-0.28,f=-0.73) USER MOD Single : A 148 THR OG1 : rot -140:sc= -0.992 USER MOD ----------------------------------------------------------------- ATOM 74 N CYS A 1 1.020 13.700 -14.101 1.00 40.21 N ATOM 75 CA CYS A 1 0.727 13.717 -12.673 1.00 53.43 C ATOM 76 C CYS A 1 0.987 12.349 -12.047 1.00 42.42 C ATOM 77 O CYS A 1 0.399 12.002 -11.024 1.00 32.44 O ATOM 78 CB CYS A 1 -0.726 14.132 -12.435 1.00 22.40 C ATOM 79 SG CYS A 1 -1.047 14.794 -10.768 1.00 0.35 S ATOM 0 H1 CYS A 1 0.634 14.558 -14.545 1.00 40.21 H new ATOM 0 H2 CYS A 1 2.050 13.670 -14.244 1.00 40.21 H new ATOM 0 H3 CYS A 1 0.586 12.860 -14.535 1.00 40.21 H new ATOM 0 HA CYS A 1 1.388 14.444 -12.200 1.00 53.43 H new ATOM 0 HB2 CYS A 1 -1.003 14.885 -13.173 1.00 22.40 H new ATOM 0 HB3 CYS A 1 -1.371 13.269 -12.602 1.00 22.40 H new ATOM 83 N SER A 2 1.871 11.577 -12.672 1.00 54.42 N ATOM 84 CA SER A 2 2.206 10.247 -12.180 1.00 24.04 C ATOM 85 C SER A 2 3.677 9.929 -12.430 1.00 51.41 C ATOM 86 O SER A 2 4.048 9.466 -13.509 1.00 74.43 O ATOM 87 CB SER A 2 1.324 9.193 -12.853 1.00 51.15 C ATOM 88 OG SER A 2 0.928 9.612 -14.148 1.00 31.15 O ATOM 0 H SER A 2 2.368 11.851 -13.520 1.00 54.42 H new ATOM 0 HA SER A 2 2.026 10.229 -11.105 1.00 24.04 H new ATOM 0 HB2 SER A 2 1.867 8.250 -12.922 1.00 51.15 H new ATOM 0 HB3 SER A 2 0.441 9.008 -12.241 1.00 51.15 H new ATOM 0 HG SER A 2 0.367 8.921 -14.558 1.00 31.15 H new ATOM 93 N GLU A 3 4.510 10.183 -11.426 1.00 10.44 N ATOM 94 CA GLU A 3 5.941 9.926 -11.538 1.00 23.44 C ATOM 95 C GLU A 3 6.414 8.992 -10.427 1.00 15.02 C ATOM 96 O GLU A 3 5.827 8.925 -9.347 1.00 14.25 O ATOM 97 CB GLU A 3 6.724 11.239 -11.483 1.00 3.32 C ATOM 98 CG GLU A 3 6.302 12.244 -12.542 1.00 62.23 C ATOM 99 CD GLU A 3 6.625 11.779 -13.949 1.00 13.34 C ATOM 100 OE1 GLU A 3 7.515 10.916 -14.099 1.00 42.42 O ATOM 101 OE2 GLU A 3 5.987 12.278 -14.899 1.00 54.43 O ATOM 0 H GLU A 3 4.219 10.566 -10.527 1.00 10.44 H new ATOM 0 HA GLU A 3 6.123 9.443 -12.498 1.00 23.44 H new ATOM 0 HB2 GLU A 3 6.597 11.687 -10.498 1.00 3.32 H new ATOM 0 HB3 GLU A 3 7.786 11.024 -11.601 1.00 3.32 H new ATOM 0 HG2 GLU A 3 5.230 12.424 -12.460 1.00 62.23 H new ATOM 0 HG3 GLU A 3 6.800 13.195 -12.354 1.00 62.23 H new ATOM 106 N PRO A 4 7.500 8.254 -10.698 1.00 3.22 N ATOM 107 CA PRO A 4 8.078 7.311 -9.735 1.00 62.14 C ATOM 108 C PRO A 4 8.732 8.017 -8.553 1.00 32.50 C ATOM 109 O PRO A 4 8.542 9.217 -8.351 1.00 71.11 O ATOM 110 CB PRO A 4 9.127 6.561 -10.558 1.00 0.44 C ATOM 111 CG PRO A 4 9.498 7.504 -11.649 1.00 44.23 C ATOM 112 CD PRO A 4 8.250 8.283 -11.965 1.00 3.43 C ATOM 0 HA PRO A 4 7.320 6.663 -9.294 1.00 62.14 H new ATOM 0 HB2 PRO A 4 9.993 6.298 -9.950 1.00 0.44 H new ATOM 0 HB3 PRO A 4 8.725 5.631 -10.959 1.00 0.44 H new ATOM 0 HG2 PRO A 4 10.303 8.168 -11.334 1.00 44.23 H new ATOM 0 HG3 PRO A 4 9.854 6.965 -12.527 1.00 44.23 H new ATOM 0 HD2 PRO A 4 8.480 9.303 -12.273 1.00 3.43 H new ATOM 0 HD3 PRO A 4 7.685 7.825 -12.777 1.00 3.43 H new ATOM 117 N LEU A 5 9.503 7.267 -7.774 1.00 2.34 N ATOM 118 CA LEU A 5 10.187 7.821 -6.611 1.00 13.10 C ATOM 119 C LEU A 5 11.689 7.564 -6.689 1.00 33.23 C ATOM 120 O LEU A 5 12.450 8.009 -5.831 1.00 40.10 O ATOM 121 CB LEU A 5 9.621 7.217 -5.326 1.00 61.43 C ATOM 122 CG LEU A 5 9.368 5.708 -5.347 1.00 54.34 C ATOM 123 CD1 LEU A 5 8.123 5.388 -6.160 1.00 1.51 C ATOM 124 CD2 LEU A 5 10.577 4.974 -5.906 1.00 4.11 C ATOM 0 H LEU A 5 9.670 6.272 -7.927 1.00 2.34 H new ATOM 0 HA LEU A 5 10.021 8.898 -6.602 1.00 13.10 H new ATOM 0 HB2 LEU A 5 10.309 7.438 -4.510 1.00 61.43 H new ATOM 0 HB3 LEU A 5 8.682 7.719 -5.095 1.00 61.43 H new ATOM 0 HG LEU A 5 9.205 5.370 -4.324 1.00 54.34 H new ATOM 0 HD11 LEU A 5 7.958 4.311 -6.164 1.00 1.51 H new ATOM 0 HD12 LEU A 5 7.261 5.885 -5.716 1.00 1.51 H new ATOM 0 HD13 LEU A 5 8.257 5.739 -7.183 1.00 1.51 H new ATOM 0 HD21 LEU A 5 10.380 3.902 -5.914 1.00 4.11 H new ATOM 0 HD22 LEU A 5 10.771 5.315 -6.923 1.00 4.11 H new ATOM 0 HD23 LEU A 5 11.447 5.179 -5.282 1.00 4.11 H new ATOM 135 N GLY A 6 12.109 6.844 -7.725 1.00 74.15 N ATOM 136 CA GLY A 6 13.518 6.543 -7.897 1.00 72.02 C ATOM 137 C GLY A 6 13.822 5.946 -9.257 1.00 70.15 C ATOM 138 O GLY A 6 14.787 5.198 -9.413 1.00 61.43 O ATOM 0 H GLY A 6 11.498 6.464 -8.448 1.00 74.15 H new ATOM 0 HA2 GLY A 6 14.100 7.455 -7.766 1.00 72.02 H new ATOM 0 HA3 GLY A 6 13.835 5.848 -7.120 1.00 72.02 H new ATOM 142 N LEU A 7 12.995 6.276 -10.244 1.00 31.21 N ATOM 143 CA LEU A 7 13.178 5.766 -11.598 1.00 30.05 C ATOM 144 C LEU A 7 13.337 6.911 -12.594 1.00 63.01 C ATOM 145 O LEU A 7 13.181 6.724 -13.801 1.00 35.12 O ATOM 146 CB LEU A 7 11.993 4.886 -11.998 1.00 13.11 C ATOM 147 CG LEU A 7 11.834 3.580 -11.220 1.00 73.53 C ATOM 148 CD1 LEU A 7 10.642 2.790 -11.741 1.00 33.15 C ATOM 149 CD2 LEU A 7 13.105 2.749 -11.305 1.00 34.31 C ATOM 0 H LEU A 7 12.192 6.894 -10.131 1.00 31.21 H new ATOM 0 HA LEU A 7 14.088 5.166 -11.614 1.00 30.05 H new ATOM 0 HB2 LEU A 7 11.079 5.468 -11.882 1.00 13.11 H new ATOM 0 HB3 LEU A 7 12.086 4.646 -13.057 1.00 13.11 H new ATOM 0 HG LEU A 7 11.653 3.823 -10.173 1.00 73.53 H new ATOM 0 HD11 LEU A 7 10.544 1.863 -11.175 1.00 33.15 H new ATOM 0 HD12 LEU A 7 9.734 3.383 -11.626 1.00 33.15 H new ATOM 0 HD13 LEU A 7 10.792 2.557 -12.795 1.00 33.15 H new ATOM 0 HD21 LEU A 7 12.973 1.823 -10.745 1.00 34.31 H new ATOM 0 HD22 LEU A 7 13.318 2.515 -12.348 1.00 34.31 H new ATOM 0 HD23 LEU A 7 13.937 3.312 -10.883 1.00 34.31 H new ATOM 160 N LYS A 8 13.649 8.096 -12.081 1.00 0.14 N ATOM 161 CA LYS A 8 13.833 9.271 -12.924 1.00 71.23 C ATOM 162 C LYS A 8 15.093 10.033 -12.528 1.00 0.25 C ATOM 163 O LYS A 8 16.097 10.002 -13.238 1.00 1.31 O ATOM 164 CB LYS A 8 12.614 10.192 -12.823 1.00 0.34 C ATOM 165 CG LYS A 8 11.456 9.768 -13.711 1.00 23.05 C ATOM 166 CD LYS A 8 11.652 10.237 -15.143 1.00 22.42 C ATOM 167 CE LYS A 8 11.634 9.070 -16.118 1.00 31.14 C ATOM 168 NZ LYS A 8 11.850 9.517 -17.522 1.00 3.12 N ATOM 0 H LYS A 8 13.780 8.268 -11.084 1.00 0.14 H new ATOM 0 HA LYS A 8 13.943 8.934 -13.955 1.00 71.23 H new ATOM 0 HB2 LYS A 8 12.275 10.220 -11.787 1.00 0.34 H new ATOM 0 HB3 LYS A 8 12.912 11.206 -13.089 1.00 0.34 H new ATOM 0 HG2 LYS A 8 11.360 8.682 -13.692 1.00 23.05 H new ATOM 0 HG3 LYS A 8 10.525 10.177 -13.317 1.00 23.05 H new ATOM 0 HD2 LYS A 8 10.866 10.945 -15.406 1.00 22.42 H new ATOM 0 HD3 LYS A 8 12.600 10.768 -15.227 1.00 22.42 H new ATOM 0 HE2 LYS A 8 12.408 8.354 -15.842 1.00 31.14 H new ATOM 0 HE3 LYS A 8 10.679 8.551 -16.045 1.00 31.14 H new ATOM 0 HZ1 LYS A 8 11.831 8.693 -18.156 1.00 3.12 H new ATOM 0 HZ2 LYS A 8 11.097 10.181 -17.795 1.00 3.12 H new ATOM 0 HZ3 LYS A 8 12.773 9.990 -17.598 1.00 3.12 H new ATOM 178 N ASN A 9 15.034 10.716 -11.390 1.00 41.13 N ATOM 179 CA ASN A 9 16.172 11.485 -10.900 1.00 74.32 C ATOM 180 C ASN A 9 16.577 11.027 -9.502 1.00 51.12 C ATOM 181 O ASN A 9 17.762 10.966 -9.177 1.00 63.11 O ATOM 182 CB ASN A 9 15.835 12.978 -10.881 1.00 62.41 C ATOM 183 CG ASN A 9 16.460 13.726 -12.042 1.00 10.31 C ATOM 184 OD1 ASN A 9 16.121 13.491 -13.202 1.00 42.13 O ATOM 185 ND2 ASN A 9 17.380 14.633 -11.734 1.00 11.12 N ATOM 0 H ASN A 9 14.210 10.753 -10.790 1.00 41.13 H new ATOM 0 HA ASN A 9 17.010 11.316 -11.576 1.00 74.32 H new ATOM 0 HB2 ASN A 9 14.753 13.104 -10.912 1.00 62.41 H new ATOM 0 HB3 ASN A 9 16.180 13.414 -9.943 1.00 62.41 H new ATOM 0 HD21 ASN A 9 17.837 15.168 -12.473 1.00 11.12 H new ATOM 0 HD22 ASN A 9 17.630 14.795 -10.758 1.00 11.12 H new ATOM 191 N ASN A 10 15.584 10.705 -8.680 1.00 63.44 N ATOM 192 CA ASN A 10 15.836 10.251 -7.316 1.00 44.20 C ATOM 193 C ASN A 10 16.795 9.065 -7.307 1.00 64.33 C ATOM 194 O ASN A 10 17.781 9.053 -6.569 1.00 44.42 O ATOM 195 CB ASN A 10 14.523 9.866 -6.633 1.00 63.34 C ATOM 196 CG ASN A 10 13.797 11.066 -6.058 1.00 63.44 C ATOM 197 OD1 ASN A 10 13.310 11.028 -4.928 1.00 54.31 O ATOM 198 ND2 ASN A 10 13.720 12.140 -6.836 1.00 41.11 N ATOM 0 H ASN A 10 14.597 10.750 -8.934 1.00 63.44 H new ATOM 0 HA ASN A 10 16.296 11.072 -6.765 1.00 44.20 H new ATOM 0 HB2 ASN A 10 13.876 9.364 -7.352 1.00 63.34 H new ATOM 0 HB3 ASN A 10 14.727 9.152 -5.835 1.00 63.34 H new ATOM 0 HD21 ASN A 10 13.243 12.978 -6.503 1.00 41.11 H new ATOM 0 HD22 ASN A 10 14.138 12.127 -7.766 1.00 41.11 H new ATOM 204 N THR A 11 16.499 8.065 -8.132 1.00 40.32 N ATOM 205 CA THR A 11 17.333 6.873 -8.220 1.00 3.04 C ATOM 206 C THR A 11 17.616 6.298 -6.836 1.00 11.43 C ATOM 207 O THR A 11 18.743 5.901 -6.539 1.00 23.34 O ATOM 208 CB THR A 11 18.670 7.174 -8.923 1.00 24.35 C ATOM 209 OG1 THR A 11 19.546 7.872 -8.031 1.00 35.44 O ATOM 210 CG2 THR A 11 18.448 8.004 -10.177 1.00 62.32 C ATOM 0 H THR A 11 15.687 8.057 -8.749 1.00 40.32 H new ATOM 0 HA THR A 11 16.779 6.141 -8.808 1.00 3.04 H new ATOM 0 HB THR A 11 19.125 6.226 -9.211 1.00 24.35 H new ATOM 0 HG1 THR A 11 19.038 8.190 -7.256 1.00 35.44 H new ATOM 0 HG21 THR A 11 19.407 8.204 -10.656 1.00 62.32 H new ATOM 0 HG22 THR A 11 17.805 7.457 -10.866 1.00 62.32 H new ATOM 0 HG23 THR A 11 17.973 8.948 -9.909 1.00 62.32 H new ATOM 218 N ILE A 12 16.589 6.257 -5.996 1.00 64.32 N ATOM 219 CA ILE A 12 16.728 5.728 -4.645 1.00 73.11 C ATOM 220 C ILE A 12 16.864 4.210 -4.659 1.00 41.44 C ATOM 221 O ILE A 12 16.121 3.502 -5.340 1.00 50.21 O ATOM 222 CB ILE A 12 15.527 6.117 -3.762 1.00 35.20 C ATOM 223 CG1 ILE A 12 15.422 7.639 -3.647 1.00 73.14 C ATOM 224 CG2 ILE A 12 15.656 5.484 -2.385 1.00 73.55 C ATOM 225 CD1 ILE A 12 14.011 8.131 -3.406 1.00 24.25 C ATOM 0 H ILE A 12 15.651 6.584 -6.227 1.00 64.32 H new ATOM 0 HA ILE A 12 17.634 6.167 -4.227 1.00 73.11 H new ATOM 0 HB ILE A 12 14.615 5.743 -4.229 1.00 35.20 H new ATOM 0 HG12 ILE A 12 16.061 7.979 -2.832 1.00 73.14 H new ATOM 0 HG13 ILE A 12 15.805 8.092 -4.562 1.00 73.14 H new ATOM 0 HG21 ILE A 12 14.800 5.768 -1.772 1.00 73.55 H new ATOM 0 HG22 ILE A 12 15.687 4.399 -2.485 1.00 73.55 H new ATOM 0 HG23 ILE A 12 16.573 5.831 -1.910 1.00 73.55 H new ATOM 0 HD11 ILE A 12 14.012 9.219 -3.335 1.00 24.25 H new ATOM 0 HD12 ILE A 12 13.372 7.822 -4.233 1.00 24.25 H new ATOM 0 HD13 ILE A 12 13.632 7.707 -2.476 1.00 24.25 H new ATOM 236 N PRO A 13 17.834 3.695 -3.890 1.00 71.13 N ATOM 237 CA PRO A 13 18.088 2.255 -3.796 1.00 34.05 C ATOM 238 C PRO A 13 16.977 1.517 -3.057 1.00 3.40 C ATOM 239 O PRO A 13 15.894 2.060 -2.844 1.00 61.44 O ATOM 240 CB PRO A 13 19.398 2.178 -3.005 1.00 5.25 C ATOM 241 CG PRO A 13 19.435 3.436 -2.210 1.00 31.35 C ATOM 242 CD PRO A 13 18.757 4.480 -3.053 1.00 11.13 C ATOM 0 HA PRO A 13 18.137 1.785 -4.778 1.00 34.05 H new ATOM 0 HB2 PRO A 13 19.419 1.301 -2.359 1.00 5.25 H new ATOM 0 HB3 PRO A 13 20.258 2.105 -3.670 1.00 5.25 H new ATOM 0 HG2 PRO A 13 18.921 3.310 -1.257 1.00 31.35 H new ATOM 0 HG3 PRO A 13 20.462 3.724 -1.983 1.00 31.35 H new ATOM 0 HD2 PRO A 13 18.224 5.207 -2.441 1.00 11.13 H new ATOM 0 HD3 PRO A 13 19.474 5.036 -3.657 1.00 11.13 H new ATOM 247 N ASP A 14 17.253 0.276 -2.669 1.00 14.32 N ATOM 248 CA ASP A 14 16.277 -0.536 -1.953 1.00 54.13 C ATOM 249 C ASP A 14 16.321 -0.245 -0.456 1.00 74.40 C ATOM 250 O ASP A 14 16.409 -1.160 0.363 1.00 3.41 O ATOM 251 CB ASP A 14 16.536 -2.022 -2.203 1.00 3.11 C ATOM 252 CG ASP A 14 17.995 -2.393 -2.029 1.00 10.24 C ATOM 253 OD1 ASP A 14 18.423 -2.587 -0.872 1.00 1.24 O ATOM 254 OD2 ASP A 14 18.710 -2.489 -3.050 1.00 73.13 O ATOM 0 H ASP A 14 18.145 -0.189 -2.839 1.00 14.32 H new ATOM 0 HA ASP A 14 15.285 -0.280 -2.326 1.00 54.13 H new ATOM 0 HB2 ASP A 14 15.930 -2.614 -1.517 1.00 3.11 H new ATOM 0 HB3 ASP A 14 16.217 -2.278 -3.213 1.00 3.11 H new ATOM 258 N SER A 15 16.261 1.036 -0.106 1.00 32.42 N ATOM 259 CA SER A 15 16.299 1.449 1.293 1.00 2.25 C ATOM 260 C SER A 15 15.092 2.318 1.637 1.00 1.45 C ATOM 261 O SER A 15 15.039 2.927 2.704 1.00 61.14 O ATOM 262 CB SER A 15 17.592 2.211 1.587 1.00 54.43 C ATOM 263 OG SER A 15 17.940 2.117 2.957 1.00 12.03 O ATOM 0 H SER A 15 16.186 1.806 -0.771 1.00 32.42 H new ATOM 0 HA SER A 15 16.266 0.552 1.912 1.00 2.25 H new ATOM 0 HB2 SER A 15 18.400 1.811 0.975 1.00 54.43 H new ATOM 0 HB3 SER A 15 17.471 3.258 1.310 1.00 54.43 H new ATOM 0 HG SER A 15 17.156 2.322 3.508 1.00 12.03 H new ATOM 268 N GLN A 16 14.130 2.369 0.722 1.00 71.24 N ATOM 269 CA GLN A 16 12.924 3.164 0.928 1.00 43.40 C ATOM 270 C GLN A 16 11.807 2.315 1.524 1.00 0.23 C ATOM 271 O GLN A 16 11.056 2.775 2.384 1.00 64.20 O ATOM 272 CB GLN A 16 12.463 3.780 -0.395 1.00 22.12 C ATOM 273 CG GLN A 16 12.315 2.766 -1.519 1.00 33.31 C ATOM 274 CD GLN A 16 11.758 3.381 -2.788 1.00 22.23 C ATOM 275 OE1 GLN A 16 12.503 3.905 -3.617 1.00 24.44 O ATOM 276 NE2 GLN A 16 10.441 3.319 -2.947 1.00 3.14 N ATOM 0 H GLN A 16 14.161 1.871 -0.167 1.00 71.24 H new ATOM 0 HA GLN A 16 13.161 3.963 1.630 1.00 43.40 H new ATOM 0 HB2 GLN A 16 11.507 4.280 -0.240 1.00 22.12 H new ATOM 0 HB3 GLN A 16 13.178 4.545 -0.699 1.00 22.12 H new ATOM 0 HG2 GLN A 16 13.287 2.320 -1.732 1.00 33.31 H new ATOM 0 HG3 GLN A 16 11.659 1.959 -1.192 1.00 33.31 H new ATOM 0 HE21 GLN A 16 9.862 2.875 -2.234 1.00 3.14 H new ATOM 0 HE22 GLN A 16 10.009 3.715 -3.782 1.00 3.14 H new ATOM 283 N MET A 17 11.703 1.073 1.062 1.00 53.01 N ATOM 284 CA MET A 17 10.677 0.159 1.551 1.00 74.33 C ATOM 285 C MET A 17 11.223 -0.720 2.672 1.00 65.35 C ATOM 286 O MET A 17 12.435 -0.835 2.849 1.00 45.03 O ATOM 287 CB MET A 17 10.155 -0.714 0.409 1.00 34.05 C ATOM 288 CG MET A 17 8.930 -0.140 -0.284 1.00 12.14 C ATOM 289 SD MET A 17 8.710 -0.785 -1.953 1.00 41.52 S ATOM 290 CE MET A 17 8.723 0.731 -2.906 1.00 2.12 C ATOM 0 H MET A 17 12.316 0.677 0.350 1.00 53.01 H new ATOM 0 HA MET A 17 9.854 0.754 1.948 1.00 74.33 H new ATOM 0 HB2 MET A 17 10.948 -0.849 -0.326 1.00 34.05 H new ATOM 0 HB3 MET A 17 9.912 -1.702 0.800 1.00 34.05 H new ATOM 0 HG2 MET A 17 8.043 -0.366 0.308 1.00 12.14 H new ATOM 0 HG3 MET A 17 9.017 0.946 -0.327 1.00 12.14 H new ATOM 0 HE1 MET A 17 8.178 0.580 -3.838 1.00 2.12 H new ATOM 0 HE2 MET A 17 8.247 1.526 -2.332 1.00 2.12 H new ATOM 0 HE3 MET A 17 9.752 1.011 -3.129 1.00 2.12 H new ATOM 298 N SER A 18 10.319 -1.340 3.425 1.00 32.40 N ATOM 299 CA SER A 18 10.710 -2.206 4.530 1.00 33.32 C ATOM 300 C SER A 18 9.491 -2.892 5.141 1.00 31.03 C ATOM 301 O SER A 18 8.599 -2.235 5.676 1.00 51.11 O ATOM 302 CB SER A 18 11.446 -1.399 5.603 1.00 3.41 C ATOM 303 OG SER A 18 12.842 -1.379 5.358 1.00 44.23 O ATOM 0 H SER A 18 9.311 -1.258 3.289 1.00 32.40 H new ATOM 0 HA SER A 18 11.379 -2.973 4.139 1.00 33.32 H new ATOM 0 HB2 SER A 18 11.062 -0.379 5.622 1.00 3.41 H new ATOM 0 HB3 SER A 18 11.252 -1.831 6.585 1.00 3.41 H new ATOM 0 HG SER A 18 13.015 -0.970 4.484 1.00 44.23 H new ATOM 308 N ALA A 19 9.463 -4.218 5.056 1.00 73.42 N ATOM 309 CA ALA A 19 8.355 -4.993 5.602 1.00 4.14 C ATOM 310 C ALA A 19 8.813 -5.854 6.774 1.00 74.15 C ATOM 311 O ALA A 19 9.994 -5.872 7.119 1.00 25.53 O ATOM 312 CB ALA A 19 7.736 -5.863 4.517 1.00 61.12 C ATOM 0 H ALA A 19 10.193 -4.777 4.615 1.00 73.42 H new ATOM 0 HA ALA A 19 7.602 -4.296 5.969 1.00 4.14 H new ATOM 0 HB1 ALA A 19 6.910 -6.437 4.938 1.00 61.12 H new ATOM 0 HB2 ALA A 19 7.365 -5.230 3.711 1.00 61.12 H new ATOM 0 HB3 ALA A 19 8.489 -6.546 4.125 1.00 61.12 H new ATOM 318 N SER A 20 7.870 -6.565 7.384 1.00 73.43 N ATOM 319 CA SER A 20 8.176 -7.424 8.522 1.00 71.12 C ATOM 320 C SER A 20 9.345 -8.351 8.204 1.00 71.40 C ATOM 321 O SER A 20 10.436 -8.203 8.755 1.00 64.12 O ATOM 322 CB SER A 20 6.947 -8.248 8.910 1.00 31.15 C ATOM 323 OG SER A 20 6.516 -7.934 10.223 1.00 74.01 O ATOM 0 H SER A 20 6.888 -6.563 7.109 1.00 73.43 H new ATOM 0 HA SER A 20 8.458 -6.788 9.361 1.00 71.12 H new ATOM 0 HB2 SER A 20 6.139 -8.057 8.203 1.00 31.15 H new ATOM 0 HB3 SER A 20 7.182 -9.310 8.845 1.00 31.15 H new ATOM 0 HG SER A 20 6.002 -7.100 10.208 1.00 74.01 H new ATOM 328 N SER A 21 9.108 -9.306 7.311 1.00 31.34 N ATOM 329 CA SER A 21 10.140 -10.261 6.922 1.00 41.22 C ATOM 330 C SER A 21 9.822 -10.880 5.563 1.00 33.51 C ATOM 331 O SER A 21 8.677 -10.857 5.112 1.00 42.22 O ATOM 332 CB SER A 21 10.273 -11.359 7.977 1.00 25.51 C ATOM 333 OG SER A 21 11.213 -12.342 7.576 1.00 12.11 O ATOM 0 H SER A 21 8.211 -9.439 6.843 1.00 31.34 H new ATOM 0 HA SER A 21 11.086 -9.725 6.846 1.00 41.22 H new ATOM 0 HB2 SER A 21 10.583 -10.920 8.925 1.00 25.51 H new ATOM 0 HB3 SER A 21 9.303 -11.826 8.144 1.00 25.51 H new ATOM 0 HG SER A 21 11.520 -12.840 8.362 1.00 12.11 H new ATOM 338 N SER A 22 10.844 -11.432 4.918 1.00 75.22 N ATOM 339 CA SER A 22 10.676 -12.054 3.610 1.00 13.14 C ATOM 340 C SER A 22 10.673 -13.575 3.728 1.00 71.43 C ATOM 341 O SER A 22 11.058 -14.130 4.758 1.00 61.04 O ATOM 342 CB SER A 22 11.792 -11.608 2.663 1.00 42.24 C ATOM 343 OG SER A 22 12.925 -11.158 3.385 1.00 5.54 O ATOM 0 H SER A 22 11.797 -11.461 5.280 1.00 75.22 H new ATOM 0 HA SER A 22 9.715 -11.736 3.205 1.00 13.14 H new ATOM 0 HB2 SER A 22 12.076 -12.437 2.015 1.00 42.24 H new ATOM 0 HB3 SER A 22 11.428 -10.809 2.017 1.00 42.24 H new ATOM 0 HG SER A 22 13.130 -10.234 3.129 1.00 5.54 H new ATOM 348 N TYR A 23 10.234 -14.243 2.667 1.00 15.12 N ATOM 349 CA TYR A 23 10.177 -15.700 2.652 1.00 53.02 C ATOM 350 C TYR A 23 11.512 -16.302 3.081 1.00 52.12 C ATOM 351 O TYR A 23 12.577 -15.778 2.756 1.00 54.43 O ATOM 352 CB TYR A 23 9.804 -16.201 1.255 1.00 23.23 C ATOM 353 CG TYR A 23 9.764 -17.709 1.145 1.00 23.31 C ATOM 354 CD1 TYR A 23 9.026 -18.472 2.041 1.00 34.25 C ATOM 355 CD2 TYR A 23 10.462 -18.371 0.141 1.00 72.23 C ATOM 356 CE1 TYR A 23 8.987 -19.849 1.945 1.00 43.13 C ATOM 357 CE2 TYR A 23 10.426 -19.747 0.036 1.00 3.25 C ATOM 358 CZ TYR A 23 9.688 -20.483 0.941 1.00 51.52 C ATOM 359 OH TYR A 23 9.651 -21.855 0.839 1.00 73.33 O ATOM 0 H TYR A 23 9.913 -13.799 1.807 1.00 15.12 H new ATOM 0 HA TYR A 23 9.412 -16.016 3.361 1.00 53.02 H new ATOM 0 HB2 TYR A 23 8.828 -15.799 0.982 1.00 23.23 H new ATOM 0 HB3 TYR A 23 10.523 -15.811 0.534 1.00 23.23 H new ATOM 0 HD1 TYR A 23 8.473 -17.979 2.827 1.00 34.25 H new ATOM 0 HD2 TYR A 23 11.042 -17.799 -0.568 1.00 72.23 H new ATOM 0 HE1 TYR A 23 8.410 -20.426 2.653 1.00 43.13 H new ATOM 0 HE2 TYR A 23 10.973 -20.245 -0.751 1.00 3.25 H new ATOM 0 HH TYR A 23 10.197 -22.141 0.077 1.00 73.33 H new ATOM 534 N TYR A 34 16.890 -7.337 0.391 1.00 61.41 N ATOM 535 CA TYR A 34 16.205 -6.089 0.705 1.00 42.45 C ATOM 536 C TYR A 34 14.954 -5.923 -0.153 1.00 2.42 C ATOM 537 O TYR A 34 14.802 -6.551 -1.201 1.00 1.40 O ATOM 538 CB TYR A 34 17.144 -4.901 0.493 1.00 15.00 C ATOM 539 CG TYR A 34 17.982 -4.567 1.706 1.00 73.32 C ATOM 540 CD1 TYR A 34 17.391 -4.355 2.947 1.00 3.34 C ATOM 541 CD2 TYR A 34 19.364 -4.465 1.614 1.00 53.43 C ATOM 542 CE1 TYR A 34 18.153 -4.050 4.057 1.00 73.41 C ATOM 543 CE2 TYR A 34 20.135 -4.161 2.720 1.00 71.34 C ATOM 544 CZ TYR A 34 19.523 -3.953 3.940 1.00 4.13 C ATOM 545 OH TYR A 34 20.286 -3.650 5.044 1.00 21.20 O ATOM 0 HA TYR A 34 15.903 -6.123 1.752 1.00 42.45 H new ATOM 0 HB2 TYR A 34 17.805 -5.117 -0.346 1.00 15.00 H new ATOM 0 HB3 TYR A 34 16.554 -4.027 0.218 1.00 15.00 H new ATOM 0 HD1 TYR A 34 16.318 -4.430 3.044 1.00 3.34 H new ATOM 0 HD2 TYR A 34 19.845 -4.626 0.661 1.00 53.43 H new ATOM 0 HE1 TYR A 34 17.678 -3.888 5.013 1.00 73.41 H new ATOM 0 HE2 TYR A 34 21.209 -4.087 2.631 1.00 71.34 H new ATOM 0 HH TYR A 34 21.232 -3.621 4.790 1.00 21.20 H new ATOM 554 N PRO A 35 14.038 -5.056 0.301 1.00 71.02 N ATOM 555 CA PRO A 35 12.784 -4.785 -0.410 1.00 41.22 C ATOM 556 C PRO A 35 13.009 -4.018 -1.708 1.00 41.34 C ATOM 557 O PRO A 35 14.143 -3.859 -2.160 1.00 23.14 O ATOM 558 CB PRO A 35 11.990 -3.933 0.583 1.00 21.42 C ATOM 559 CG PRO A 35 13.024 -3.285 1.439 1.00 1.21 C ATOM 560 CD PRO A 35 14.153 -4.273 1.543 1.00 3.14 C ATOM 0 HA PRO A 35 12.276 -5.703 -0.706 1.00 41.22 H new ATOM 0 HB2 PRO A 35 11.380 -3.190 0.068 1.00 21.42 H new ATOM 0 HB3 PRO A 35 11.312 -4.546 1.177 1.00 21.42 H new ATOM 0 HG2 PRO A 35 13.365 -2.348 0.998 1.00 1.21 H new ATOM 0 HG3 PRO A 35 12.622 -3.046 2.424 1.00 1.21 H new ATOM 0 HD2 PRO A 35 15.119 -3.773 1.615 1.00 3.14 H new ATOM 0 HD3 PRO A 35 14.054 -4.904 2.426 1.00 3.14 H new ATOM 565 N HIS A 36 11.920 -3.543 -2.306 1.00 20.41 N ATOM 566 CA HIS A 36 11.999 -2.792 -3.554 1.00 63.41 C ATOM 567 C HIS A 36 12.515 -3.673 -4.687 1.00 0.45 C ATOM 568 O HIS A 36 13.268 -3.215 -5.549 1.00 20.31 O ATOM 569 CB HIS A 36 12.907 -1.574 -3.384 1.00 35.41 C ATOM 570 CG HIS A 36 12.552 -0.432 -4.285 1.00 33.32 C ATOM 571 ND1 HIS A 36 11.391 -0.121 -4.906 1.00 40.34 N flip ATOM 572 CD2 HIS A 36 13.450 0.553 -4.640 1.00 62.43 C flip ATOM 573 CE1 HIS A 36 11.604 1.033 -5.617 1.00 11.10 C flip ATOM 574 NE2 HIS A 36 12.854 1.420 -5.439 1.00 54.14 N flip ATOM 0 H HIS A 36 10.973 -3.665 -1.946 1.00 20.41 H new ATOM 0 HA HIS A 36 10.995 -2.454 -3.810 1.00 63.41 H new ATOM 0 HB2 HIS A 36 12.859 -1.237 -2.348 1.00 35.41 H new ATOM 0 HB3 HIS A 36 13.938 -1.870 -3.576 1.00 35.41 H new ATOM 0 HD2 HIS A 36 14.479 0.607 -4.316 1.00 62.43 H new ATOM 0 HE1 HIS A 36 10.869 1.542 -6.223 1.00 11.10 H new ATOM 0 HE2 HIS A 36 13.286 2.248 -5.849 1.00 54.14 H new ATOM 581 N LEU A 37 12.109 -4.937 -4.680 1.00 33.55 N ATOM 582 CA LEU A 37 12.532 -5.883 -5.706 1.00 40.52 C ATOM 583 C LEU A 37 11.882 -5.557 -7.048 1.00 22.42 C ATOM 584 O LEU A 37 12.504 -5.694 -8.101 1.00 21.43 O ATOM 585 CB LEU A 37 12.179 -7.311 -5.289 1.00 21.11 C ATOM 586 CG LEU A 37 12.980 -7.887 -4.122 1.00 31.30 C ATOM 587 CD1 LEU A 37 14.469 -7.659 -4.332 1.00 40.00 C ATOM 588 CD2 LEU A 37 12.525 -7.271 -2.806 1.00 40.52 C ATOM 0 H LEU A 37 11.487 -5.331 -3.974 1.00 33.55 H new ATOM 0 HA LEU A 37 13.613 -5.801 -5.817 1.00 40.52 H new ATOM 0 HB2 LEU A 37 11.121 -7.341 -5.027 1.00 21.11 H new ATOM 0 HB3 LEU A 37 12.312 -7.963 -6.152 1.00 21.11 H new ATOM 0 HG LEU A 37 12.800 -8.961 -4.079 1.00 31.30 H new ATOM 0 HD11 LEU A 37 15.023 -8.076 -3.491 1.00 40.00 H new ATOM 0 HD12 LEU A 37 14.786 -8.148 -5.253 1.00 40.00 H new ATOM 0 HD13 LEU A 37 14.667 -6.589 -4.402 1.00 40.00 H new ATOM 0 HD21 LEU A 37 13.106 -7.693 -1.986 1.00 40.52 H new ATOM 0 HD22 LEU A 37 12.674 -6.192 -2.839 1.00 40.52 H new ATOM 0 HD23 LEU A 37 11.468 -7.486 -2.650 1.00 40.52 H new ATOM 599 N GLY A 38 10.626 -5.123 -7.001 1.00 1.34 N ATOM 600 CA GLY A 38 9.914 -4.782 -8.218 1.00 44.12 C ATOM 601 C GLY A 38 10.161 -3.352 -8.654 1.00 51.12 C ATOM 602 O GLY A 38 9.411 -2.803 -9.462 1.00 72.51 O ATOM 0 H GLY A 38 10.089 -5.002 -6.142 1.00 1.34 H new ATOM 0 HA2 GLY A 38 10.219 -5.459 -9.016 1.00 44.12 H new ATOM 0 HA3 GLY A 38 8.845 -4.932 -8.064 1.00 44.12 H new ATOM 606 N ARG A 39 11.214 -2.745 -8.117 1.00 31.21 N ATOM 607 CA ARG A 39 11.556 -1.367 -8.453 1.00 22.25 C ATOM 608 C ARG A 39 11.458 -1.135 -9.957 1.00 3.45 C ATOM 609 O ARG A 39 10.983 -0.090 -10.405 1.00 4.31 O ATOM 610 CB ARG A 39 12.967 -1.037 -7.966 1.00 11.25 C ATOM 611 CG ARG A 39 13.984 -2.129 -8.258 1.00 1.24 C ATOM 612 CD ARG A 39 15.348 -1.790 -7.678 1.00 31.42 C ATOM 613 NE ARG A 39 16.381 -1.726 -8.708 1.00 2.34 N ATOM 614 CZ ARG A 39 16.598 -0.657 -9.467 1.00 33.44 C ATOM 615 NH1 ARG A 39 15.859 0.432 -9.310 1.00 63.53 N ATOM 616 NH2 ARG A 39 17.557 -0.676 -10.384 1.00 11.20 N ATOM 0 H ARG A 39 11.845 -3.185 -7.448 1.00 31.21 H new ATOM 0 HA ARG A 39 10.844 -0.710 -7.954 1.00 22.25 H new ATOM 0 HB2 ARG A 39 13.297 -0.110 -8.436 1.00 11.25 H new ATOM 0 HB3 ARG A 39 12.938 -0.857 -6.891 1.00 11.25 H new ATOM 0 HG2 ARG A 39 13.635 -3.074 -7.841 1.00 1.24 H new ATOM 0 HG3 ARG A 39 14.070 -2.269 -9.336 1.00 1.24 H new ATOM 0 HD2 ARG A 39 15.294 -0.833 -7.160 1.00 31.42 H new ATOM 0 HD3 ARG A 39 15.622 -2.539 -6.936 1.00 31.42 H new ATOM 0 HE ARG A 39 16.968 -2.547 -8.853 1.00 2.34 H new ATOM 0 HH11 ARG A 39 15.122 0.451 -8.605 1.00 63.53 H new ATOM 0 HH12 ARG A 39 16.028 1.251 -9.894 1.00 63.53 H new ATOM 0 HH21 ARG A 39 18.129 -1.512 -10.507 1.00 11.20 H new ATOM 0 HH22 ARG A 39 17.723 0.145 -10.966 1.00 11.20 H new ATOM 627 N LEU A 40 11.911 -2.114 -10.733 1.00 61.22 N ATOM 628 CA LEU A 40 11.874 -2.017 -12.188 1.00 54.31 C ATOM 629 C LEU A 40 12.116 -3.378 -12.832 1.00 4.12 C ATOM 630 O LEU A 40 13.155 -3.608 -13.451 1.00 71.24 O ATOM 631 CB LEU A 40 12.922 -1.015 -12.678 1.00 23.24 C ATOM 632 CG LEU A 40 13.008 -0.820 -14.192 1.00 53.12 C ATOM 633 CD1 LEU A 40 12.533 0.572 -14.578 1.00 42.33 C ATOM 634 CD2 LEU A 40 14.430 -1.054 -14.680 1.00 10.24 C ATOM 0 H LEU A 40 12.308 -2.984 -10.379 1.00 61.22 H new ATOM 0 HA LEU A 40 10.883 -1.670 -12.479 1.00 54.31 H new ATOM 0 HB2 LEU A 40 12.714 -0.049 -12.219 1.00 23.24 H new ATOM 0 HB3 LEU A 40 13.899 -1.336 -12.317 1.00 23.24 H new ATOM 0 HG LEU A 40 12.356 -1.551 -14.671 1.00 53.12 H new ATOM 0 HD11 LEU A 40 12.601 0.693 -15.659 1.00 42.33 H new ATOM 0 HD12 LEU A 40 11.498 0.704 -14.263 1.00 42.33 H new ATOM 0 HD13 LEU A 40 13.159 1.319 -14.089 1.00 42.33 H new ATOM 0 HD21 LEU A 40 14.472 -0.911 -15.760 1.00 10.24 H new ATOM 0 HD22 LEU A 40 15.102 -0.347 -14.194 1.00 10.24 H new ATOM 0 HD23 LEU A 40 14.735 -2.072 -14.437 1.00 10.24 H new ATOM 645 N ASP A 41 11.149 -4.276 -12.683 1.00 71.04 N ATOM 646 CA ASP A 41 11.253 -5.615 -13.253 1.00 35.14 C ATOM 647 C ASP A 41 12.670 -6.159 -13.101 1.00 23.24 C ATOM 648 O ASP A 41 13.288 -6.589 -14.074 1.00 14.11 O ATOM 649 CB ASP A 41 10.857 -5.596 -14.730 1.00 61.41 C ATOM 650 CG ASP A 41 10.693 -6.991 -15.302 1.00 61.05 C ATOM 651 OD1 ASP A 41 9.603 -7.577 -15.131 1.00 0.44 O ATOM 652 OD2 ASP A 41 11.653 -7.495 -15.921 1.00 32.21 O ATOM 0 H ASP A 41 10.284 -4.102 -12.172 1.00 71.04 H new ATOM 0 HA ASP A 41 10.570 -6.269 -12.711 1.00 35.14 H new ATOM 0 HB2 ASP A 41 9.923 -5.046 -14.846 1.00 61.41 H new ATOM 0 HB3 ASP A 41 11.615 -5.059 -15.300 1.00 61.41 H new ATOM 656 N ASN A 42 13.179 -6.138 -11.873 1.00 42.53 N ATOM 657 CA ASN A 42 14.524 -6.629 -11.594 1.00 70.53 C ATOM 658 C ASN A 42 14.763 -7.975 -12.270 1.00 63.35 C ATOM 659 O ASN A 42 13.838 -8.771 -12.432 1.00 22.13 O ATOM 660 CB ASN A 42 14.739 -6.758 -10.084 1.00 2.41 C ATOM 661 CG ASN A 42 15.480 -5.570 -9.502 1.00 1.24 C ATOM 662 OD1 ASN A 42 15.113 -4.371 -9.940 1.00 51.54 O flip ATOM 663 ND2 ASN A 42 16.373 -5.730 -8.669 1.00 23.03 N flip ATOM 0 H ASN A 42 12.680 -5.786 -11.056 1.00 42.53 H new ATOM 0 HA ASN A 42 15.237 -5.909 -11.996 1.00 70.53 H new ATOM 0 HB2 ASN A 42 13.773 -6.858 -9.589 1.00 2.41 H new ATOM 0 HB3 ASN A 42 15.299 -7.670 -9.876 1.00 2.41 H new ATOM 0 HD21 ASN A 42 16.621 -6.670 -8.362 1.00 23.03 H new ATOM 0 HD22 ASN A 42 16.864 -4.922 -8.286 1.00 23.03 H new ATOM 669 N GLN A 43 16.009 -8.222 -12.662 1.00 54.23 N ATOM 670 CA GLN A 43 16.369 -9.472 -13.321 1.00 51.31 C ATOM 671 C GLN A 43 16.074 -10.666 -12.420 1.00 45.25 C ATOM 672 O GLN A 43 15.439 -10.527 -11.376 1.00 30.21 O ATOM 673 CB GLN A 43 17.849 -9.462 -13.705 1.00 42.34 C ATOM 674 CG GLN A 43 18.788 -9.539 -12.513 1.00 33.44 C ATOM 675 CD GLN A 43 20.105 -8.828 -12.759 1.00 70.14 C ATOM 676 OE1 GLN A 43 20.488 -7.929 -12.010 1.00 64.24 O ATOM 677 NE2 GLN A 43 20.805 -9.229 -13.814 1.00 13.23 N ATOM 0 H GLN A 43 16.786 -7.573 -12.535 1.00 54.23 H new ATOM 0 HA GLN A 43 15.767 -9.564 -14.225 1.00 51.31 H new ATOM 0 HB2 GLN A 43 18.049 -10.303 -14.369 1.00 42.34 H new ATOM 0 HB3 GLN A 43 18.064 -8.553 -14.268 1.00 42.34 H new ATOM 0 HG2 GLN A 43 18.300 -9.101 -11.642 1.00 33.44 H new ATOM 0 HG3 GLN A 43 18.983 -10.585 -12.276 1.00 33.44 H new ATOM 0 HE21 GLN A 43 20.449 -9.978 -14.408 1.00 13.23 H new ATOM 0 HE22 GLN A 43 21.699 -8.788 -14.031 1.00 13.23 H new ATOM 684 N GLY A 44 16.537 -11.842 -12.834 1.00 35.14 N ATOM 685 CA GLY A 44 16.312 -13.045 -12.052 1.00 52.11 C ATOM 686 C GLY A 44 14.907 -13.589 -12.218 1.00 72.04 C ATOM 687 O GLY A 44 14.642 -14.380 -13.124 1.00 14.31 O ATOM 0 H GLY A 44 17.063 -11.983 -13.696 1.00 35.14 H new ATOM 0 HA2 GLY A 44 17.031 -13.808 -12.349 1.00 52.11 H new ATOM 0 HA3 GLY A 44 16.493 -12.829 -10.999 1.00 52.11 H new ATOM 691 N LYS A 45 14.003 -13.166 -11.340 1.00 22.21 N ATOM 692 CA LYS A 45 12.617 -13.616 -11.392 1.00 43.33 C ATOM 693 C LYS A 45 11.810 -13.025 -10.240 1.00 51.50 C ATOM 694 O LYS A 45 10.583 -12.951 -10.304 1.00 41.12 O ATOM 695 CB LYS A 45 12.553 -15.144 -11.342 1.00 13.35 C ATOM 696 CG LYS A 45 13.018 -15.729 -10.021 1.00 35.53 C ATOM 697 CD LYS A 45 14.534 -15.745 -9.919 1.00 12.21 C ATOM 698 CE LYS A 45 15.159 -16.566 -11.037 1.00 35.11 C ATOM 699 NZ LYS A 45 16.104 -17.590 -10.510 1.00 13.41 N ATOM 0 H LYS A 45 14.206 -12.512 -10.584 1.00 22.21 H new ATOM 0 HA LYS A 45 12.184 -13.271 -12.331 1.00 43.33 H new ATOM 0 HB2 LYS A 45 11.528 -15.463 -11.530 1.00 13.35 H new ATOM 0 HB3 LYS A 45 13.166 -15.551 -12.146 1.00 13.35 H new ATOM 0 HG2 LYS A 45 12.604 -15.146 -9.198 1.00 35.53 H new ATOM 0 HG3 LYS A 45 12.635 -16.744 -9.917 1.00 35.53 H new ATOM 0 HD2 LYS A 45 14.913 -14.724 -9.960 1.00 12.21 H new ATOM 0 HD3 LYS A 45 14.831 -16.157 -8.954 1.00 12.21 H new ATOM 0 HE2 LYS A 45 14.373 -17.058 -11.610 1.00 35.11 H new ATOM 0 HE3 LYS A 45 15.687 -15.903 -11.723 1.00 35.11 H new ATOM 0 HZ1 LYS A 45 16.813 -17.815 -11.237 1.00 13.41 H new ATOM 0 HZ2 LYS A 45 16.582 -17.219 -9.664 1.00 13.41 H new ATOM 0 HZ3 LYS A 45 15.578 -18.452 -10.260 1.00 13.41 H new ATOM 709 N ILE A 46 12.507 -12.603 -9.191 1.00 25.32 N ATOM 710 CA ILE A 46 11.854 -12.017 -8.027 1.00 14.15 C ATOM 711 C ILE A 46 11.036 -10.790 -8.416 1.00 21.02 C ATOM 712 O ILE A 46 9.807 -10.825 -8.414 1.00 24.42 O ATOM 713 CB ILE A 46 12.879 -11.616 -6.950 1.00 73.23 C ATOM 714 CG1 ILE A 46 13.970 -12.682 -6.831 1.00 14.22 C ATOM 715 CG2 ILE A 46 12.186 -11.407 -5.611 1.00 25.44 C ATOM 716 CD1 ILE A 46 13.433 -14.094 -6.782 1.00 43.10 C ATOM 0 H ILE A 46 13.523 -12.656 -9.123 1.00 25.32 H new ATOM 0 HA ILE A 46 11.190 -12.779 -7.620 1.00 14.15 H new ATOM 0 HB ILE A 46 13.346 -10.677 -7.246 1.00 73.23 H new ATOM 0 HG12 ILE A 46 14.650 -12.590 -7.678 1.00 14.22 H new ATOM 0 HG13 ILE A 46 14.554 -12.493 -5.931 1.00 14.22 H new ATOM 0 HG21 ILE A 46 12.923 -11.124 -4.860 1.00 25.44 H new ATOM 0 HG22 ILE A 46 11.442 -10.616 -5.706 1.00 25.44 H new ATOM 0 HG23 ILE A 46 11.695 -12.332 -5.307 1.00 25.44 H new ATOM 0 HD11 ILE A 46 14.263 -14.796 -6.698 1.00 43.10 H new ATOM 0 HD12 ILE A 46 12.776 -14.204 -5.919 1.00 43.10 H new ATOM 0 HD13 ILE A 46 12.873 -14.302 -7.694 1.00 43.10 H new ATOM 727 N ASN A 47 11.728 -9.707 -8.751 1.00 52.14 N ATOM 728 CA ASN A 47 11.066 -8.468 -9.145 1.00 42.03 C ATOM 729 C ASN A 47 9.845 -8.202 -8.268 1.00 54.42 C ATOM 730 O ASN A 47 8.831 -7.689 -8.738 1.00 63.40 O ATOM 731 CB ASN A 47 10.646 -8.534 -10.615 1.00 25.03 C ATOM 732 CG ASN A 47 9.797 -9.753 -10.919 1.00 65.31 C ATOM 733 OD1 ASN A 47 10.277 -10.729 -11.496 1.00 23.22 O ATOM 734 ND2 ASN A 47 8.528 -9.702 -10.533 1.00 54.11 N ATOM 0 H ASN A 47 12.747 -9.661 -8.758 1.00 52.14 H new ATOM 0 HA ASN A 47 11.773 -7.649 -9.013 1.00 42.03 H new ATOM 0 HB2 ASN A 47 10.089 -7.633 -10.872 1.00 25.03 H new ATOM 0 HB3 ASN A 47 11.536 -8.548 -11.244 1.00 25.03 H new ATOM 0 HD21 ASN A 47 7.908 -10.492 -10.712 1.00 54.11 H new ATOM 0 HD22 ASN A 47 8.172 -8.873 -10.058 1.00 54.11 H new ATOM 740 N ALA A 48 9.954 -8.552 -6.990 1.00 4.11 N ATOM 741 CA ALA A 48 8.862 -8.349 -6.047 1.00 60.24 C ATOM 742 C ALA A 48 9.220 -8.890 -4.667 1.00 43.04 C ATOM 743 O ALA A 48 9.920 -9.896 -4.547 1.00 30.11 O ATOM 744 CB ALA A 48 7.591 -9.009 -6.561 1.00 71.35 C ATOM 0 H ALA A 48 10.788 -8.977 -6.585 1.00 4.11 H new ATOM 0 HA ALA A 48 8.690 -7.277 -5.955 1.00 60.24 H new ATOM 0 HB1 ALA A 48 6.784 -8.849 -5.846 1.00 71.35 H new ATOM 0 HB2 ALA A 48 7.317 -8.572 -7.522 1.00 71.35 H new ATOM 0 HB3 ALA A 48 7.761 -10.079 -6.684 1.00 71.35 H new ATOM 750 N TRP A 49 8.736 -8.217 -3.630 1.00 22.33 N ATOM 751 CA TRP A 49 9.007 -8.632 -2.257 1.00 54.40 C ATOM 752 C TRP A 49 8.013 -9.693 -1.803 1.00 63.34 C ATOM 753 O TRP A 49 6.818 -9.603 -2.088 1.00 70.53 O ATOM 754 CB TRP A 49 8.949 -7.425 -1.319 1.00 34.11 C ATOM 755 CG TRP A 49 9.001 -7.799 0.132 1.00 22.03 C ATOM 756 CD1 TRP A 49 7.938 -8.042 0.954 1.00 11.04 C ATOM 757 CD2 TRP A 49 10.177 -7.969 0.932 1.00 43.42 C ATOM 758 NE1 TRP A 49 8.383 -8.354 2.217 1.00 62.23 N ATOM 759 CE2 TRP A 49 9.752 -8.317 2.229 1.00 40.11 C ATOM 760 CE3 TRP A 49 11.547 -7.865 0.678 1.00 12.31 C ATOM 761 CZ2 TRP A 49 10.648 -8.557 3.267 1.00 4.33 C ATOM 762 CZ3 TRP A 49 12.436 -8.103 1.709 1.00 25.10 C ATOM 763 CH2 TRP A 49 11.984 -8.447 2.990 1.00 44.10 C ATOM 0 H TRP A 49 8.155 -7.383 -3.712 1.00 22.33 H new ATOM 0 HA TRP A 49 10.008 -9.062 -2.223 1.00 54.40 H new ATOM 0 HB2 TRP A 49 9.781 -6.758 -1.545 1.00 34.11 H new ATOM 0 HB3 TRP A 49 8.032 -6.868 -1.511 1.00 34.11 H new ATOM 0 HD1 TRP A 49 6.901 -7.996 0.656 1.00 11.04 H new ATOM 0 HE1 TRP A 49 7.789 -8.577 3.016 1.00 62.23 H new ATOM 0 HE3 TRP A 49 11.905 -7.603 -0.307 1.00 12.31 H new ATOM 0 HZ2 TRP A 49 10.301 -8.821 4.255 1.00 4.33 H new ATOM 0 HZ3 TRP A 49 13.497 -8.023 1.524 1.00 25.10 H new ATOM 0 HH2 TRP A 49 12.704 -8.629 3.774 1.00 44.10 H new ATOM 773 N THR A 50 8.511 -10.700 -1.093 1.00 30.53 N ATOM 774 CA THR A 50 7.665 -11.781 -0.599 1.00 52.51 C ATOM 775 C THR A 50 7.529 -11.723 0.918 1.00 1.01 C ATOM 776 O THR A 50 8.290 -11.030 1.592 1.00 72.01 O ATOM 777 CB THR A 50 8.224 -13.159 -1.002 1.00 63.12 C ATOM 778 OG1 THR A 50 9.054 -13.032 -2.161 1.00 12.12 O ATOM 779 CG2 THR A 50 7.094 -14.138 -1.286 1.00 55.13 C ATOM 0 H THR A 50 9.497 -10.790 -0.847 1.00 30.53 H new ATOM 0 HA THR A 50 6.683 -11.648 -1.053 1.00 52.51 H new ATOM 0 HB THR A 50 8.817 -13.543 -0.172 1.00 63.12 H new ATOM 0 HG1 THR A 50 9.017 -13.861 -2.682 1.00 12.12 H new ATOM 0 HG21 THR A 50 7.512 -15.104 -1.569 1.00 55.13 H new ATOM 0 HG22 THR A 50 6.481 -14.255 -0.392 1.00 55.13 H new ATOM 0 HG23 THR A 50 6.478 -13.757 -2.101 1.00 55.13 H new ATOM 787 N ALA A 51 6.556 -12.457 1.448 1.00 55.52 N ATOM 788 CA ALA A 51 6.323 -12.491 2.887 1.00 42.44 C ATOM 789 C ALA A 51 7.089 -13.636 3.540 1.00 71.12 C ATOM 790 O ALA A 51 7.521 -14.569 2.865 1.00 4.43 O ATOM 791 CB ALA A 51 4.835 -12.616 3.177 1.00 42.31 C ATOM 0 H ALA A 51 5.917 -13.036 0.903 1.00 55.52 H new ATOM 0 HA ALA A 51 6.688 -11.556 3.312 1.00 42.44 H new ATOM 0 HB1 ALA A 51 4.675 -12.640 4.255 1.00 42.31 H new ATOM 0 HB2 ALA A 51 4.308 -11.762 2.751 1.00 42.31 H new ATOM 0 HB3 ALA A 51 4.454 -13.536 2.733 1.00 42.31 H new ATOM 797 N GLN A 52 7.253 -13.557 4.856 1.00 15.51 N ATOM 798 CA GLN A 52 7.970 -14.586 5.599 1.00 72.52 C ATOM 799 C GLN A 52 7.008 -15.649 6.120 1.00 23.44 C ATOM 800 O GLN A 52 7.155 -16.834 5.821 1.00 42.21 O ATOM 801 CB GLN A 52 8.739 -13.962 6.766 1.00 1.20 C ATOM 802 CG GLN A 52 9.234 -14.979 7.781 1.00 54.41 C ATOM 803 CD GLN A 52 9.765 -16.242 7.132 1.00 74.03 C ATOM 804 OE1 GLN A 52 9.229 -17.387 7.539 1.00 21.41 O flip ATOM 805 NE2 GLN A 52 10.647 -16.189 6.274 1.00 44.44 N flip ATOM 0 H GLN A 52 6.899 -12.791 5.430 1.00 15.51 H new ATOM 0 HA GLN A 52 8.678 -15.062 4.920 1.00 72.52 H new ATOM 0 HB2 GLN A 52 9.592 -13.408 6.374 1.00 1.20 H new ATOM 0 HB3 GLN A 52 8.095 -13.241 7.270 1.00 1.20 H new ATOM 0 HG2 GLN A 52 10.020 -14.529 8.387 1.00 54.41 H new ATOM 0 HG3 GLN A 52 8.419 -15.238 8.457 1.00 54.41 H new ATOM 0 HE21 GLN A 52 11.030 -15.287 5.992 1.00 44.44 H new ATOM 0 HE22 GLN A 52 10.994 -17.047 5.846 1.00 44.44 H new ATOM 812 N SER A 53 6.024 -15.217 6.904 1.00 23.11 N ATOM 813 CA SER A 53 5.040 -16.133 7.470 1.00 3.45 C ATOM 814 C SER A 53 3.914 -16.402 6.476 1.00 75.52 C ATOM 815 O SER A 53 2.939 -17.082 6.796 1.00 32.45 O ATOM 816 CB SER A 53 4.466 -15.560 8.767 1.00 12.01 C ATOM 817 OG SER A 53 5.288 -14.523 9.274 1.00 52.02 O ATOM 0 H SER A 53 5.887 -14.239 7.161 1.00 23.11 H new ATOM 0 HA SER A 53 5.541 -17.076 7.689 1.00 3.45 H new ATOM 0 HB2 SER A 53 3.462 -15.177 8.586 1.00 12.01 H new ATOM 0 HB3 SER A 53 4.375 -16.353 9.510 1.00 12.01 H new ATOM 0 HG SER A 53 4.899 -14.172 10.102 1.00 52.02 H new ATOM 822 N ASN A 54 4.055 -15.863 5.270 1.00 20.45 N ATOM 823 CA ASN A 54 3.050 -16.044 4.229 1.00 71.11 C ATOM 824 C ASN A 54 1.643 -15.910 4.803 1.00 23.42 C ATOM 825 O ASN A 54 0.732 -16.645 4.420 1.00 2.25 O ATOM 826 CB ASN A 54 3.215 -17.413 3.565 1.00 54.23 C ATOM 827 CG ASN A 54 2.928 -18.557 4.518 1.00 72.14 C ATOM 828 OD1 ASN A 54 3.967 -19.049 5.180 1.00 34.24 O flip ATOM 829 ND2 ASN A 54 1.784 -18.991 4.656 1.00 24.54 N flip ATOM 0 H ASN A 54 4.856 -15.297 4.989 1.00 20.45 H new ATOM 0 HA ASN A 54 3.193 -15.265 3.480 1.00 71.11 H new ATOM 0 HB2 ASN A 54 2.545 -17.481 2.708 1.00 54.23 H new ATOM 0 HB3 ASN A 54 4.231 -17.508 3.183 1.00 54.23 H new ATOM 0 HD21 ASN A 54 1.015 -18.581 4.125 1.00 24.54 H new ATOM 0 HD22 ASN A 54 1.605 -19.761 5.301 1.00 24.54 H new ATOM 835 N SER A 55 1.472 -14.969 5.725 1.00 15.54 N ATOM 836 CA SER A 55 0.177 -14.741 6.355 1.00 41.40 C ATOM 837 C SER A 55 -0.204 -13.264 6.296 1.00 22.55 C ATOM 838 O SER A 55 0.453 -12.469 5.624 1.00 64.20 O ATOM 839 CB SER A 55 0.203 -15.215 7.809 1.00 60.54 C ATOM 840 OG SER A 55 -1.109 -15.329 8.332 1.00 40.13 O ATOM 0 H SER A 55 2.215 -14.351 6.053 1.00 15.54 H new ATOM 0 HA SER A 55 -0.572 -15.313 5.807 1.00 41.40 H new ATOM 0 HB2 SER A 55 0.708 -16.179 7.871 1.00 60.54 H new ATOM 0 HB3 SER A 55 0.779 -14.514 8.413 1.00 60.54 H new ATOM 0 HG SER A 55 -1.065 -15.635 9.262 1.00 40.13 H new ATOM 845 N ALA A 56 -1.269 -12.905 7.005 1.00 62.10 N ATOM 846 CA ALA A 56 -1.736 -11.525 7.037 1.00 45.34 C ATOM 847 C ALA A 56 -1.007 -10.722 8.107 1.00 13.41 C ATOM 848 O ALA A 56 -1.175 -9.506 8.210 1.00 65.51 O ATOM 849 CB ALA A 56 -3.239 -11.483 7.274 1.00 45.32 C ATOM 0 H ALA A 56 -1.825 -13.551 7.565 1.00 62.10 H new ATOM 0 HA ALA A 56 -1.518 -11.071 6.070 1.00 45.34 H new ATOM 0 HB1 ALA A 56 -3.575 -10.446 7.296 1.00 45.32 H new ATOM 0 HB2 ALA A 56 -3.749 -12.013 6.470 1.00 45.32 H new ATOM 0 HB3 ALA A 56 -3.471 -11.960 8.227 1.00 45.32 H new ATOM 855 N LYS A 57 -0.194 -11.408 8.904 1.00 40.23 N ATOM 856 CA LYS A 57 0.563 -10.759 9.967 1.00 72.51 C ATOM 857 C LYS A 57 1.707 -9.931 9.393 1.00 11.34 C ATOM 858 O LYS A 57 2.364 -9.181 10.114 1.00 52.51 O ATOM 859 CB LYS A 57 1.113 -11.804 10.940 1.00 22.14 C ATOM 860 CG LYS A 57 0.042 -12.479 11.779 1.00 34.24 C ATOM 861 CD LYS A 57 0.395 -13.926 12.078 1.00 12.51 C ATOM 862 CE LYS A 57 -0.659 -14.589 12.950 1.00 61.10 C ATOM 863 NZ LYS A 57 -0.556 -16.074 12.913 1.00 4.33 N ATOM 0 H LYS A 57 -0.043 -12.414 8.833 1.00 40.23 H new ATOM 0 HA LYS A 57 -0.111 -10.091 10.503 1.00 72.51 H new ATOM 0 HB2 LYS A 57 1.653 -12.564 10.376 1.00 22.14 H new ATOM 0 HB3 LYS A 57 1.834 -11.326 11.603 1.00 22.14 H new ATOM 0 HG2 LYS A 57 -0.085 -11.934 12.714 1.00 34.24 H new ATOM 0 HG3 LYS A 57 -0.912 -12.438 11.254 1.00 34.24 H new ATOM 0 HD2 LYS A 57 0.495 -14.478 11.143 1.00 12.51 H new ATOM 0 HD3 LYS A 57 1.362 -13.969 12.578 1.00 12.51 H new ATOM 0 HE2 LYS A 57 -0.550 -14.243 13.978 1.00 61.10 H new ATOM 0 HE3 LYS A 57 -1.651 -14.285 12.615 1.00 61.10 H new ATOM 0 HZ1 LYS A 57 -1.292 -16.488 13.520 1.00 4.33 H new ATOM 0 HZ2 LYS A 57 -0.685 -16.407 11.936 1.00 4.33 H new ATOM 0 HZ3 LYS A 57 0.381 -16.366 13.257 1.00 4.33 H new ATOM 873 N GLU A 58 1.940 -10.073 8.091 1.00 32.33 N ATOM 874 CA GLU A 58 3.005 -9.336 7.422 1.00 12.43 C ATOM 875 C GLU A 58 2.549 -7.925 7.063 1.00 51.23 C ATOM 876 O GLU A 58 1.365 -7.685 6.828 1.00 44.45 O ATOM 877 CB GLU A 58 3.451 -10.076 6.159 1.00 32.34 C ATOM 878 CG GLU A 58 4.955 -10.273 6.067 1.00 14.10 C ATOM 879 CD GLU A 58 5.562 -9.581 4.862 1.00 43.45 C ATOM 880 OE1 GLU A 58 4.933 -9.608 3.783 1.00 51.01 O ATOM 881 OE2 GLU A 58 6.666 -9.013 4.997 1.00 61.23 O ATOM 0 H GLU A 58 1.406 -10.691 7.480 1.00 32.33 H new ATOM 0 HA GLU A 58 3.848 -9.263 8.109 1.00 12.43 H new ATOM 0 HB2 GLU A 58 2.963 -11.050 6.128 1.00 32.34 H new ATOM 0 HB3 GLU A 58 3.112 -9.521 5.284 1.00 32.34 H new ATOM 0 HG2 GLU A 58 5.424 -9.892 6.974 1.00 14.10 H new ATOM 0 HG3 GLU A 58 5.176 -11.339 6.018 1.00 14.10 H new ATOM 886 N TRP A 59 3.497 -6.996 7.024 1.00 40.33 N ATOM 887 CA TRP A 59 3.192 -5.608 6.694 1.00 12.44 C ATOM 888 C TRP A 59 4.391 -4.928 6.042 1.00 41.42 C ATOM 889 O TRP A 59 5.537 -5.164 6.427 1.00 74.02 O ATOM 890 CB TRP A 59 2.779 -4.842 7.952 1.00 73.11 C ATOM 891 CG TRP A 59 3.685 -5.087 9.121 1.00 51.22 C ATOM 892 CD1 TRP A 59 4.991 -4.705 9.239 1.00 74.01 C ATOM 893 CD2 TRP A 59 3.353 -5.771 10.334 1.00 55.44 C ATOM 894 NE1 TRP A 59 5.490 -5.108 10.454 1.00 62.31 N ATOM 895 CE2 TRP A 59 4.505 -5.763 11.144 1.00 23.55 C ATOM 896 CE3 TRP A 59 2.194 -6.384 10.816 1.00 44.30 C ATOM 897 CZ2 TRP A 59 4.530 -6.349 12.407 1.00 62.30 C ATOM 898 CZ3 TRP A 59 2.220 -6.965 12.070 1.00 1.42 C ATOM 899 CH2 TRP A 59 3.381 -6.944 12.854 1.00 53.04 C ATOM 0 H TRP A 59 4.482 -7.178 7.216 1.00 40.33 H new ATOM 0 HA TRP A 59 2.364 -5.603 5.985 1.00 12.44 H new ATOM 0 HB2 TRP A 59 2.764 -3.775 7.730 1.00 73.11 H new ATOM 0 HB3 TRP A 59 1.762 -5.125 8.224 1.00 73.11 H new ATOM 0 HD1 TRP A 59 5.549 -4.166 8.488 1.00 74.01 H new ATOM 0 HE1 TRP A 59 6.440 -4.946 10.788 1.00 62.31 H new ATOM 0 HE3 TRP A 59 1.294 -6.404 10.220 1.00 44.30 H new ATOM 0 HZ2 TRP A 59 5.424 -6.335 13.012 1.00 62.30 H new ATOM 0 HZ3 TRP A 59 1.330 -7.443 12.452 1.00 1.42 H new ATOM 0 HH2 TRP A 59 3.369 -7.406 13.830 1.00 53.04 H new ATOM 909 N LEU A 60 4.121 -4.084 5.052 1.00 51.15 N ATOM 910 CA LEU A 60 5.178 -3.369 4.345 1.00 33.01 C ATOM 911 C LEU A 60 5.050 -1.863 4.552 1.00 23.31 C ATOM 912 O LEU A 60 3.980 -1.289 4.349 1.00 13.44 O ATOM 913 CB LEU A 60 5.131 -3.695 2.851 1.00 63.21 C ATOM 914 CG LEU A 60 5.924 -2.763 1.935 1.00 71.32 C ATOM 915 CD1 LEU A 60 7.410 -2.841 2.250 1.00 24.03 C ATOM 916 CD2 LEU A 60 5.667 -3.105 0.475 1.00 54.11 C ATOM 0 H LEU A 60 3.179 -3.878 4.721 1.00 51.15 H new ATOM 0 HA LEU A 60 6.136 -3.693 4.752 1.00 33.01 H new ATOM 0 HB2 LEU A 60 5.500 -4.711 2.710 1.00 63.21 H new ATOM 0 HB3 LEU A 60 4.089 -3.687 2.530 1.00 63.21 H new ATOM 0 HG LEU A 60 5.590 -1.741 2.112 1.00 71.32 H new ATOM 0 HD11 LEU A 60 7.958 -2.171 1.588 1.00 24.03 H new ATOM 0 HD12 LEU A 60 7.578 -2.546 3.286 1.00 24.03 H new ATOM 0 HD13 LEU A 60 7.760 -3.863 2.103 1.00 24.03 H new ATOM 0 HD21 LEU A 60 6.240 -2.431 -0.163 1.00 54.11 H new ATOM 0 HD22 LEU A 60 5.972 -4.134 0.283 1.00 54.11 H new ATOM 0 HD23 LEU A 60 4.605 -2.995 0.257 1.00 54.11 H new ATOM 927 N GLN A 61 6.147 -1.231 4.956 1.00 2.01 N ATOM 928 CA GLN A 61 6.157 0.208 5.188 1.00 21.24 C ATOM 929 C GLN A 61 7.198 0.895 4.310 1.00 22.40 C ATOM 930 O GLN A 61 8.256 0.333 4.030 1.00 4.21 O ATOM 931 CB GLN A 61 6.440 0.506 6.662 1.00 31.41 C ATOM 932 CG GLN A 61 7.920 0.501 7.011 1.00 4.10 C ATOM 933 CD GLN A 61 8.201 -0.139 8.356 1.00 1.11 C ATOM 934 OE1 GLN A 61 8.567 0.540 9.315 1.00 74.11 O ATOM 935 NE2 GLN A 61 8.030 -1.454 8.433 1.00 50.23 N ATOM 0 H GLN A 61 7.040 -1.693 5.129 1.00 2.01 H new ATOM 0 HA GLN A 61 5.174 0.599 4.927 1.00 21.24 H new ATOM 0 HB2 GLN A 61 6.019 1.479 6.915 1.00 31.41 H new ATOM 0 HB3 GLN A 61 5.927 -0.233 7.278 1.00 31.41 H new ATOM 0 HG2 GLN A 61 8.470 -0.034 6.237 1.00 4.10 H new ATOM 0 HG3 GLN A 61 8.292 1.526 7.016 1.00 4.10 H new ATOM 0 HE21 GLN A 61 7.725 -1.978 7.612 1.00 50.23 H new ATOM 0 HE22 GLN A 61 8.203 -1.940 9.313 1.00 50.23 H new ATOM 942 N VAL A 62 6.889 2.113 3.878 1.00 64.23 N ATOM 943 CA VAL A 62 7.797 2.877 3.032 1.00 4.41 C ATOM 944 C VAL A 62 8.051 4.264 3.609 1.00 74.24 C ATOM 945 O VAL A 62 7.122 5.052 3.790 1.00 32.40 O ATOM 946 CB VAL A 62 7.244 3.021 1.601 1.00 74.13 C ATOM 947 CG1 VAL A 62 8.316 3.556 0.665 1.00 2.33 C ATOM 948 CG2 VAL A 62 6.704 1.690 1.101 1.00 33.22 C ATOM 0 H VAL A 62 6.016 2.592 4.100 1.00 64.23 H new ATOM 0 HA VAL A 62 8.736 2.325 2.997 1.00 4.41 H new ATOM 0 HB VAL A 62 6.422 3.736 1.619 1.00 74.13 H new ATOM 0 HG11 VAL A 62 7.907 3.651 -0.341 1.00 2.33 H new ATOM 0 HG12 VAL A 62 8.650 4.533 1.015 1.00 2.33 H new ATOM 0 HG13 VAL A 62 9.161 2.868 0.649 1.00 2.33 H new ATOM 0 HG21 VAL A 62 6.318 1.811 0.089 1.00 33.22 H new ATOM 0 HG22 VAL A 62 7.505 0.951 1.098 1.00 33.22 H new ATOM 0 HG23 VAL A 62 5.902 1.353 1.758 1.00 33.22 H new ATOM 958 N ASP A 63 9.314 4.558 3.896 1.00 5.10 N ATOM 959 CA ASP A 63 9.691 5.851 4.453 1.00 54.51 C ATOM 960 C ASP A 63 10.425 6.697 3.415 1.00 24.41 C ATOM 961 O ASP A 63 11.423 6.263 2.839 1.00 51.42 O ATOM 962 CB ASP A 63 10.573 5.663 5.689 1.00 44.15 C ATOM 963 CG ASP A 63 11.929 5.077 5.348 1.00 33.11 C ATOM 964 OD1 ASP A 63 12.002 3.856 5.097 1.00 61.04 O ATOM 965 OD2 ASP A 63 12.918 5.840 5.335 1.00 2.51 O ATOM 0 H ASP A 63 10.095 3.918 3.752 1.00 5.10 H new ATOM 0 HA ASP A 63 8.779 6.372 4.743 1.00 54.51 H new ATOM 0 HB2 ASP A 63 10.710 6.624 6.184 1.00 44.15 H new ATOM 0 HB3 ASP A 63 10.065 5.009 6.398 1.00 44.15 H new ATOM 969 N LEU A 64 9.921 7.904 3.181 1.00 4.22 N ATOM 970 CA LEU A 64 10.527 8.810 2.211 1.00 11.24 C ATOM 971 C LEU A 64 11.311 9.914 2.914 1.00 53.52 C ATOM 972 O LEU A 64 12.494 10.120 2.642 1.00 64.51 O ATOM 973 CB LEU A 64 9.450 9.424 1.315 1.00 14.12 C ATOM 974 CG LEU A 64 9.092 8.633 0.057 1.00 23.42 C ATOM 975 CD1 LEU A 64 8.505 7.278 0.428 1.00 55.41 C ATOM 976 CD2 LEU A 64 8.118 9.418 -0.809 1.00 73.14 C ATOM 0 H LEU A 64 9.095 8.278 3.649 1.00 4.22 H new ATOM 0 HA LEU A 64 11.218 8.235 1.595 1.00 11.24 H new ATOM 0 HB2 LEU A 64 8.544 9.555 1.907 1.00 14.12 H new ATOM 0 HB3 LEU A 64 9.780 10.418 1.013 1.00 14.12 H new ATOM 0 HG LEU A 64 10.004 8.468 -0.516 1.00 23.42 H new ATOM 0 HD11 LEU A 64 8.256 6.729 -0.480 1.00 55.41 H new ATOM 0 HD12 LEU A 64 9.235 6.711 1.006 1.00 55.41 H new ATOM 0 HD13 LEU A 64 7.603 7.423 1.023 1.00 55.41 H new ATOM 0 HD21 LEU A 64 7.875 8.839 -1.700 1.00 73.14 H new ATOM 0 HD22 LEU A 64 7.207 9.615 -0.245 1.00 73.14 H new ATOM 0 HD23 LEU A 64 8.574 10.363 -1.104 1.00 73.14 H new ATOM 987 N GLY A 65 10.644 10.621 3.820 1.00 73.53 N ATOM 988 CA GLY A 65 11.294 11.695 4.550 1.00 2.45 C ATOM 989 C GLY A 65 11.644 12.871 3.660 1.00 41.12 C ATOM 990 O GLY A 65 12.340 13.794 4.083 1.00 14.42 O ATOM 0 H GLY A 65 9.665 10.470 4.062 1.00 73.53 H new ATOM 0 HA2 GLY A 65 10.639 12.033 5.353 1.00 2.45 H new ATOM 0 HA3 GLY A 65 12.202 11.315 5.018 1.00 2.45 H new ATOM 994 N THR A 66 11.161 12.840 2.421 1.00 20.24 N ATOM 995 CA THR A 66 11.428 13.910 1.468 1.00 31.44 C ATOM 996 C THR A 66 10.183 14.754 1.228 1.00 50.42 C ATOM 997 O THR A 66 10.216 15.719 0.463 1.00 22.10 O ATOM 998 CB THR A 66 11.925 13.351 0.122 1.00 13.53 C ATOM 999 OG1 THR A 66 12.384 14.420 -0.712 1.00 53.25 O ATOM 1000 CG2 THR A 66 10.819 12.585 -0.588 1.00 53.01 C ATOM 0 H THR A 66 10.582 12.084 2.054 1.00 20.24 H new ATOM 0 HA THR A 66 12.208 14.535 1.903 1.00 31.44 H new ATOM 0 HB THR A 66 12.749 12.666 0.320 1.00 13.53 H new ATOM 0 HG1 THR A 66 11.752 15.168 -0.663 1.00 53.25 H new ATOM 0 HG21 THR A 66 11.194 12.200 -1.536 1.00 53.01 H new ATOM 0 HG22 THR A 66 10.492 11.754 0.037 1.00 53.01 H new ATOM 0 HG23 THR A 66 9.977 13.251 -0.775 1.00 53.01 H new ATOM 1008 N GLN A 67 9.088 14.387 1.884 1.00 63.31 N ATOM 1009 CA GLN A 67 7.832 15.113 1.739 1.00 61.33 C ATOM 1010 C GLN A 67 7.478 15.300 0.268 1.00 53.34 C ATOM 1011 O GLN A 67 7.691 16.372 -0.299 1.00 40.52 O ATOM 1012 CB GLN A 67 7.921 16.473 2.433 1.00 2.42 C ATOM 1013 CG GLN A 67 6.576 17.014 2.889 1.00 45.34 C ATOM 1014 CD GLN A 67 6.702 18.019 4.016 1.00 40.53 C ATOM 1015 OE1 GLN A 67 6.612 17.666 5.192 1.00 3.03 O ATOM 1016 NE2 GLN A 67 6.911 19.282 3.662 1.00 11.33 N ATOM 0 H GLN A 67 9.045 13.592 2.521 1.00 63.31 H new ATOM 0 HA GLN A 67 7.045 14.525 2.210 1.00 61.33 H new ATOM 0 HB2 GLN A 67 8.580 16.388 3.297 1.00 2.42 H new ATOM 0 HB3 GLN A 67 8.379 17.190 1.751 1.00 2.42 H new ATOM 0 HG2 GLN A 67 6.072 17.483 2.044 1.00 45.34 H new ATOM 0 HG3 GLN A 67 5.947 16.185 3.215 1.00 45.34 H new ATOM 0 HE21 GLN A 67 6.979 19.530 2.675 1.00 11.33 H new ATOM 0 HE22 GLN A 67 7.004 20.003 4.377 1.00 11.33 H new ATOM 1023 N ARG A 68 6.936 14.253 -0.344 1.00 44.54 N ATOM 1024 CA ARG A 68 6.554 14.303 -1.750 1.00 44.20 C ATOM 1025 C ARG A 68 5.040 14.191 -1.907 1.00 33.33 C ATOM 1026 O ARG A 68 4.365 13.585 -1.076 1.00 44.23 O ATOM 1027 CB ARG A 68 7.242 13.179 -2.527 1.00 4.44 C ATOM 1028 CG ARG A 68 8.512 13.619 -3.238 1.00 1.14 C ATOM 1029 CD ARG A 68 8.208 14.575 -4.381 1.00 62.30 C ATOM 1030 NE ARG A 68 9.391 15.322 -4.798 1.00 5.41 N ATOM 1031 CZ ARG A 68 9.940 16.293 -4.077 1.00 74.43 C ATOM 1032 NH1 ARG A 68 9.414 16.632 -2.908 1.00 21.33 N ATOM 1033 NH2 ARG A 68 11.015 16.928 -4.525 1.00 21.34 N ATOM 0 H ARG A 68 6.751 13.359 0.112 1.00 44.54 H new ATOM 0 HA ARG A 68 6.874 15.264 -2.153 1.00 44.20 H new ATOM 0 HB2 ARG A 68 7.483 12.368 -1.840 1.00 4.44 H new ATOM 0 HB3 ARG A 68 6.545 12.777 -3.262 1.00 4.44 H new ATOM 0 HG2 ARG A 68 9.180 14.103 -2.526 1.00 1.14 H new ATOM 0 HG3 ARG A 68 9.036 12.744 -3.623 1.00 1.14 H new ATOM 0 HD2 ARG A 68 7.816 14.013 -5.229 1.00 62.30 H new ATOM 0 HD3 ARG A 68 7.429 15.272 -4.073 1.00 62.30 H new ATOM 0 HE ARG A 68 9.820 15.085 -5.693 1.00 5.41 H new ATOM 0 HH11 ARG A 68 8.587 16.147 -2.561 1.00 21.33 H new ATOM 0 HH12 ARG A 68 9.837 17.378 -2.356 1.00 21.33 H new ATOM 0 HH21 ARG A 68 11.421 16.671 -5.425 1.00 21.34 H new ATOM 0 HH22 ARG A 68 11.435 17.673 -3.970 1.00 21.34 H new ATOM 1044 N GLN A 69 4.516 14.780 -2.977 1.00 13.44 N ATOM 1045 CA GLN A 69 3.082 14.747 -3.241 1.00 52.51 C ATOM 1046 C GLN A 69 2.712 13.534 -4.087 1.00 32.44 C ATOM 1047 O GLN A 69 3.157 13.400 -5.227 1.00 24.42 O ATOM 1048 CB GLN A 69 2.644 16.030 -3.949 1.00 52.22 C ATOM 1049 CG GLN A 69 1.262 15.937 -4.576 1.00 43.21 C ATOM 1050 CD GLN A 69 0.610 17.294 -4.756 1.00 3.45 C ATOM 1051 OE1 GLN A 69 0.422 18.037 -3.793 1.00 51.42 O ATOM 1052 NE2 GLN A 69 0.261 17.623 -5.994 1.00 52.44 N ATOM 0 H GLN A 69 5.062 15.285 -3.675 1.00 13.44 H new ATOM 0 HA GLN A 69 2.563 14.672 -2.285 1.00 52.51 H new ATOM 0 HB2 GLN A 69 2.655 16.852 -3.233 1.00 52.22 H new ATOM 0 HB3 GLN A 69 3.370 16.273 -4.725 1.00 52.22 H new ATOM 0 HG2 GLN A 69 1.339 15.444 -5.545 1.00 43.21 H new ATOM 0 HG3 GLN A 69 0.625 15.312 -3.950 1.00 43.21 H new ATOM 0 HE21 GLN A 69 0.436 16.975 -6.762 1.00 52.44 H new ATOM 0 HE22 GLN A 69 -0.182 18.523 -6.177 1.00 52.44 H new ATOM 1059 N VAL A 70 1.895 12.650 -3.520 1.00 14.50 N ATOM 1060 CA VAL A 70 1.465 11.448 -4.222 1.00 60.44 C ATOM 1061 C VAL A 70 0.164 11.689 -4.979 1.00 73.53 C ATOM 1062 O VAL A 70 -0.636 12.547 -4.604 1.00 64.51 O ATOM 1063 CB VAL A 70 1.268 10.270 -3.249 1.00 60.51 C ATOM 1064 CG1 VAL A 70 2.499 10.089 -2.374 1.00 32.12 C ATOM 1065 CG2 VAL A 70 0.025 10.485 -2.397 1.00 12.52 C ATOM 0 H VAL A 70 1.519 12.745 -2.577 1.00 14.50 H new ATOM 0 HA VAL A 70 2.254 11.197 -4.931 1.00 60.44 H new ATOM 0 HB VAL A 70 1.128 9.359 -3.831 1.00 60.51 H new ATOM 0 HG11 VAL A 70 2.342 9.253 -1.693 1.00 32.12 H new ATOM 0 HG12 VAL A 70 3.366 9.887 -3.003 1.00 32.12 H new ATOM 0 HG13 VAL A 70 2.673 10.998 -1.798 1.00 32.12 H new ATOM 0 HG21 VAL A 70 -0.099 9.643 -1.715 1.00 12.52 H new ATOM 0 HG22 VAL A 70 0.133 11.405 -1.822 1.00 12.52 H new ATOM 0 HG23 VAL A 70 -0.850 10.561 -3.043 1.00 12.52 H new ATOM 1075 N THR A 71 -0.043 10.927 -6.048 1.00 4.21 N ATOM 1076 CA THR A 71 -1.246 11.058 -6.860 1.00 50.31 C ATOM 1077 C THR A 71 -1.696 9.705 -7.399 1.00 33.13 C ATOM 1078 O THR A 71 -2.435 9.631 -8.379 1.00 22.15 O ATOM 1079 CB THR A 71 -1.025 12.021 -8.042 1.00 2.32 C ATOM 1080 OG1 THR A 71 -0.133 13.073 -7.657 1.00 33.02 O ATOM 1081 CG2 THR A 71 -2.344 12.614 -8.512 1.00 1.22 C ATOM 0 H THR A 71 0.608 10.212 -6.372 1.00 4.21 H new ATOM 0 HA THR A 71 -2.022 11.464 -6.211 1.00 50.31 H new ATOM 0 HB THR A 71 -0.586 11.456 -8.864 1.00 2.32 H new ATOM 0 HG1 THR A 71 -0.626 13.750 -7.149 1.00 33.02 H new ATOM 0 HG21 THR A 71 -2.162 13.290 -9.347 1.00 1.22 H new ATOM 0 HG22 THR A 71 -3.009 11.813 -8.833 1.00 1.22 H new ATOM 0 HG23 THR A 71 -2.808 13.165 -7.693 1.00 1.22 H new ATOM 1089 N GLY A 72 -1.246 8.635 -6.749 1.00 50.41 N ATOM 1090 CA GLY A 72 -1.613 7.299 -7.179 1.00 20.31 C ATOM 1091 C GLY A 72 -0.576 6.262 -6.797 1.00 3.22 C ATOM 1092 O GLY A 72 0.516 6.604 -6.341 1.00 44.22 O ATOM 0 H GLY A 72 -0.635 8.670 -5.933 1.00 50.41 H new ATOM 0 HA2 GLY A 72 -2.572 7.029 -6.737 1.00 20.31 H new ATOM 0 HA3 GLY A 72 -1.747 7.293 -8.261 1.00 20.31 H new ATOM 1096 N ILE A 73 -0.915 4.990 -6.983 1.00 50.15 N ATOM 1097 CA ILE A 73 -0.005 3.901 -6.655 1.00 70.33 C ATOM 1098 C ILE A 73 -0.199 2.719 -7.600 1.00 53.01 C ATOM 1099 O ILE A 73 -1.273 2.540 -8.173 1.00 63.34 O ATOM 1100 CB ILE A 73 -0.200 3.421 -5.204 1.00 42.24 C ATOM 1101 CG1 ILE A 73 -1.429 2.516 -5.105 1.00 74.40 C ATOM 1102 CG2 ILE A 73 -0.335 4.612 -4.267 1.00 2.44 C ATOM 1103 CD1 ILE A 73 -2.708 3.179 -5.566 1.00 13.23 C ATOM 0 H ILE A 73 -1.814 4.689 -7.359 1.00 50.15 H new ATOM 0 HA ILE A 73 1.007 4.291 -6.767 1.00 70.33 H new ATOM 0 HB ILE A 73 0.676 2.846 -4.905 1.00 42.24 H new ATOM 0 HG12 ILE A 73 -1.259 1.620 -5.701 1.00 74.40 H new ATOM 0 HG13 ILE A 73 -1.549 2.193 -4.071 1.00 74.40 H new ATOM 0 HG21 ILE A 73 -0.472 4.258 -3.245 1.00 2.44 H new ATOM 0 HG22 ILE A 73 0.567 5.222 -4.321 1.00 2.44 H new ATOM 0 HG23 ILE A 73 -1.196 5.211 -4.562 1.00 2.44 H new ATOM 0 HD11 ILE A 73 -3.537 2.478 -5.468 1.00 13.23 H new ATOM 0 HD12 ILE A 73 -2.902 4.060 -4.954 1.00 13.23 H new ATOM 0 HD13 ILE A 73 -2.607 3.478 -6.609 1.00 13.23 H new ATOM 1114 N ILE A 74 0.848 1.916 -7.755 1.00 0.24 N ATOM 1115 CA ILE A 74 0.792 0.749 -8.627 1.00 63.22 C ATOM 1116 C ILE A 74 1.521 -0.437 -8.007 1.00 32.34 C ATOM 1117 O ILE A 74 2.570 -0.279 -7.381 1.00 71.12 O ATOM 1118 CB ILE A 74 1.405 1.049 -10.008 1.00 12.15 C ATOM 1119 CG1 ILE A 74 1.547 -0.242 -10.818 1.00 32.11 C ATOM 1120 CG2 ILE A 74 2.755 1.733 -9.851 1.00 71.32 C ATOM 1121 CD1 ILE A 74 2.888 -0.921 -10.643 1.00 70.43 C ATOM 0 H ILE A 74 1.745 2.052 -7.289 1.00 0.24 H new ATOM 0 HA ILE A 74 -0.262 0.499 -8.752 1.00 63.22 H new ATOM 0 HB ILE A 74 0.739 1.723 -10.547 1.00 12.15 H new ATOM 0 HG12 ILE A 74 0.757 -0.934 -10.525 1.00 32.11 H new ATOM 0 HG13 ILE A 74 1.398 -0.017 -11.874 1.00 32.11 H new ATOM 0 HG21 ILE A 74 3.175 1.938 -10.835 1.00 71.32 H new ATOM 0 HG22 ILE A 74 2.627 2.670 -9.308 1.00 71.32 H new ATOM 0 HG23 ILE A 74 3.431 1.082 -9.297 1.00 71.32 H new ATOM 0 HD11 ILE A 74 2.918 -1.829 -11.246 1.00 70.43 H new ATOM 0 HD12 ILE A 74 3.682 -0.246 -10.964 1.00 70.43 H new ATOM 0 HD13 ILE A 74 3.032 -1.178 -9.593 1.00 70.43 H new ATOM 1132 N THR A 75 0.959 -1.629 -8.184 1.00 32.24 N ATOM 1133 CA THR A 75 1.556 -2.843 -7.642 1.00 63.22 C ATOM 1134 C THR A 75 1.680 -3.920 -8.713 1.00 2.52 C ATOM 1135 O THR A 75 0.992 -3.877 -9.733 1.00 33.54 O ATOM 1136 CB THR A 75 0.729 -3.399 -6.467 1.00 71.11 C ATOM 1137 OG1 THR A 75 1.384 -4.541 -5.903 1.00 22.03 O ATOM 1138 CG2 THR A 75 -0.670 -3.785 -6.923 1.00 43.44 C ATOM 0 H THR A 75 0.091 -1.779 -8.699 1.00 32.24 H new ATOM 0 HA THR A 75 2.550 -2.574 -7.284 1.00 63.22 H new ATOM 0 HB THR A 75 0.645 -2.618 -5.711 1.00 71.11 H new ATOM 0 HG1 THR A 75 2.315 -4.315 -5.697 1.00 22.03 H new ATOM 0 HG21 THR A 75 -1.234 -4.175 -6.076 1.00 43.44 H new ATOM 0 HG22 THR A 75 -1.177 -2.907 -7.324 1.00 43.44 H new ATOM 0 HG23 THR A 75 -0.602 -4.550 -7.697 1.00 43.44 H new ATOM 1146 N GLN A 76 2.563 -4.885 -8.476 1.00 11.00 N ATOM 1147 CA GLN A 76 2.778 -5.974 -9.423 1.00 74.00 C ATOM 1148 C GLN A 76 3.189 -7.251 -8.699 1.00 12.13 C ATOM 1149 O GLN A 76 4.032 -7.226 -7.804 1.00 12.43 O ATOM 1150 CB GLN A 76 3.849 -5.585 -10.445 1.00 62.42 C ATOM 1151 CG GLN A 76 3.468 -5.916 -11.879 1.00 10.13 C ATOM 1152 CD GLN A 76 4.677 -6.152 -12.763 1.00 21.40 C ATOM 1153 OE1 GLN A 76 4.836 -5.510 -13.802 1.00 23.21 O ATOM 1154 NE2 GLN A 76 5.538 -7.077 -12.355 1.00 13.03 N ATOM 0 H GLN A 76 3.141 -4.935 -7.637 1.00 11.00 H new ATOM 0 HA GLN A 76 1.839 -6.160 -9.944 1.00 74.00 H new ATOM 0 HB2 GLN A 76 4.043 -4.515 -10.367 1.00 62.42 H new ATOM 0 HB3 GLN A 76 4.779 -6.097 -10.197 1.00 62.42 H new ATOM 0 HG2 GLN A 76 2.837 -6.805 -11.888 1.00 10.13 H new ATOM 0 HG3 GLN A 76 2.875 -5.100 -12.291 1.00 10.13 H new ATOM 0 HE21 GLN A 76 5.367 -7.585 -11.487 1.00 13.03 H new ATOM 0 HE22 GLN A 76 6.370 -7.279 -12.909 1.00 13.03 H new ATOM 1161 N GLY A 77 2.585 -8.369 -9.093 1.00 2.23 N ATOM 1162 CA GLY A 77 2.901 -9.641 -8.471 1.00 5.13 C ATOM 1163 C GLY A 77 4.137 -10.286 -9.065 1.00 2.44 C ATOM 1164 O GLY A 77 4.704 -9.782 -10.034 1.00 54.43 O ATOM 0 H GLY A 77 1.883 -8.416 -9.832 1.00 2.23 H new ATOM 0 HA2 GLY A 77 3.051 -9.492 -7.402 1.00 5.13 H new ATOM 0 HA3 GLY A 77 2.053 -10.317 -8.582 1.00 5.13 H new ATOM 1168 N ALA A 78 4.558 -11.405 -8.483 1.00 53.53 N ATOM 1169 CA ALA A 78 5.735 -12.119 -8.962 1.00 31.11 C ATOM 1170 C ALA A 78 5.517 -13.628 -8.917 1.00 52.31 C ATOM 1171 O ALA A 78 4.598 -14.112 -8.258 1.00 63.43 O ATOM 1172 CB ALA A 78 6.956 -11.736 -8.138 1.00 51.34 C ATOM 0 H ALA A 78 4.101 -11.836 -7.679 1.00 53.53 H new ATOM 0 HA ALA A 78 5.906 -11.833 -10.000 1.00 31.11 H new ATOM 0 HB1 ALA A 78 7.828 -12.277 -8.507 1.00 51.34 H new ATOM 0 HB2 ALA A 78 7.131 -10.664 -8.224 1.00 51.34 H new ATOM 0 HB3 ALA A 78 6.785 -11.993 -7.093 1.00 51.34 H new ATOM 1178 N ARG A 79 6.367 -14.365 -9.623 1.00 14.44 N ATOM 1179 CA ARG A 79 6.266 -15.819 -9.666 1.00 52.12 C ATOM 1180 C ARG A 79 7.424 -16.467 -8.911 1.00 63.12 C ATOM 1181 O ARG A 79 8.447 -15.831 -8.660 1.00 3.43 O ATOM 1182 CB ARG A 79 6.250 -16.308 -11.115 1.00 13.13 C ATOM 1183 CG ARG A 79 7.601 -16.207 -11.807 1.00 31.34 C ATOM 1184 CD ARG A 79 7.517 -16.646 -13.260 1.00 74.31 C ATOM 1185 NE ARG A 79 8.671 -16.200 -14.035 1.00 34.11 N ATOM 1186 CZ ARG A 79 8.691 -16.149 -15.361 1.00 1.21 C ATOM 1187 NH1 ARG A 79 7.625 -16.515 -16.058 1.00 23.11 N ATOM 1188 NH2 ARG A 79 9.780 -15.731 -15.994 1.00 1.23 N ATOM 0 H ARG A 79 7.134 -13.979 -10.174 1.00 14.44 H new ATOM 0 HA ARG A 79 5.333 -16.108 -9.183 1.00 52.12 H new ATOM 0 HB2 ARG A 79 5.917 -17.346 -11.136 1.00 13.13 H new ATOM 0 HB3 ARG A 79 5.519 -15.727 -11.677 1.00 13.13 H new ATOM 0 HG2 ARG A 79 7.961 -15.179 -11.757 1.00 31.34 H new ATOM 0 HG3 ARG A 79 8.328 -16.825 -11.280 1.00 31.34 H new ATOM 0 HD2 ARG A 79 7.447 -17.733 -13.307 1.00 74.31 H new ATOM 0 HD3 ARG A 79 6.605 -16.249 -13.706 1.00 74.31 H new ATOM 0 HE ARG A 79 9.508 -15.912 -13.529 1.00 34.11 H new ATOM 0 HH11 ARG A 79 6.786 -16.837 -15.575 1.00 23.11 H new ATOM 0 HH12 ARG A 79 7.643 -16.475 -17.077 1.00 23.11 H new ATOM 0 HH21 ARG A 79 10.603 -15.449 -15.461 1.00 1.23 H new ATOM 0 HH22 ARG A 79 9.794 -15.692 -17.013 1.00 1.23 H new ATOM 1199 N ASP A 80 7.252 -17.735 -8.552 1.00 55.34 N ATOM 1200 CA ASP A 80 8.282 -18.469 -7.826 1.00 12.44 C ATOM 1201 C ASP A 80 8.892 -19.559 -8.703 1.00 75.43 C ATOM 1202 O ASP A 80 8.530 -20.731 -8.594 1.00 44.35 O ATOM 1203 CB ASP A 80 7.699 -19.086 -6.555 1.00 71.14 C ATOM 1204 CG ASP A 80 8.657 -20.053 -5.887 1.00 74.24 C ATOM 1205 OD1 ASP A 80 9.602 -19.583 -5.219 1.00 53.32 O ATOM 1206 OD2 ASP A 80 8.463 -21.278 -6.033 1.00 54.21 O ATOM 0 H ASP A 80 6.410 -18.275 -8.752 1.00 55.34 H new ATOM 0 HA ASP A 80 9.069 -17.766 -7.551 1.00 12.44 H new ATOM 0 HB2 ASP A 80 7.442 -18.292 -5.854 1.00 71.14 H new ATOM 0 HB3 ASP A 80 6.773 -19.607 -6.799 1.00 71.14 H new ATOM 1210 N PHE A 81 9.816 -19.165 -9.570 1.00 1.42 N ATOM 1211 CA PHE A 81 10.474 -20.108 -10.467 1.00 3.44 C ATOM 1212 C PHE A 81 9.449 -20.955 -11.214 1.00 33.43 C ATOM 1213 O PHE A 81 9.541 -22.181 -11.239 1.00 65.12 O ATOM 1214 CB PHE A 81 11.426 -21.013 -9.682 1.00 14.12 C ATOM 1215 CG PHE A 81 12.295 -20.268 -8.709 1.00 2.00 C ATOM 1216 CD1 PHE A 81 11.843 -19.988 -7.429 1.00 71.05 C ATOM 1217 CD2 PHE A 81 13.564 -19.849 -9.074 1.00 34.02 C ATOM 1218 CE1 PHE A 81 12.640 -19.302 -6.533 1.00 32.32 C ATOM 1219 CE2 PHE A 81 14.367 -19.163 -8.181 1.00 42.22 C ATOM 1220 CZ PHE A 81 13.904 -18.890 -6.908 1.00 4.53 C ATOM 0 H PHE A 81 10.127 -18.199 -9.672 1.00 1.42 H new ATOM 0 HA PHE A 81 11.047 -19.536 -11.197 1.00 3.44 H new ATOM 0 HB2 PHE A 81 10.843 -21.757 -9.140 1.00 14.12 H new ATOM 0 HB3 PHE A 81 12.061 -21.554 -10.383 1.00 14.12 H new ATOM 0 HD1 PHE A 81 10.857 -20.310 -7.129 1.00 71.05 H new ATOM 0 HD2 PHE A 81 13.931 -20.061 -10.068 1.00 34.02 H new ATOM 0 HE1 PHE A 81 12.275 -19.088 -5.539 1.00 32.32 H new ATOM 0 HE2 PHE A 81 15.354 -18.841 -8.478 1.00 42.22 H new ATOM 0 HZ PHE A 81 14.529 -18.356 -6.208 1.00 4.53 H new ATOM 1229 N GLY A 82 8.470 -20.291 -11.821 1.00 74.41 N ATOM 1230 CA GLY A 82 7.439 -20.998 -12.558 1.00 33.35 C ATOM 1231 C GLY A 82 6.042 -20.644 -12.088 1.00 30.32 C ATOM 1232 O GLY A 82 5.338 -19.871 -12.737 1.00 44.15 O ATOM 0 H GLY A 82 8.373 -19.276 -11.815 1.00 74.41 H new ATOM 0 HA2 GLY A 82 7.531 -20.766 -13.619 1.00 33.35 H new ATOM 0 HA3 GLY A 82 7.593 -22.072 -12.452 1.00 33.35 H new ATOM 1236 N HIS A 83 5.639 -21.211 -10.954 1.00 1.43 N ATOM 1237 CA HIS A 83 4.317 -20.952 -10.398 1.00 70.13 C ATOM 1238 C HIS A 83 4.123 -19.462 -10.129 1.00 20.41 C ATOM 1239 O HIS A 83 4.852 -18.866 -9.335 1.00 72.54 O ATOM 1240 CB HIS A 83 4.119 -21.745 -9.107 1.00 30.31 C ATOM 1241 CG HIS A 83 3.209 -22.924 -9.262 1.00 20.44 C ATOM 1242 ND1 HIS A 83 1.934 -22.829 -9.779 1.00 21.11 N ATOM 1243 CD2 HIS A 83 3.396 -24.232 -8.965 1.00 25.14 C ATOM 1244 CE1 HIS A 83 1.376 -24.026 -9.792 1.00 11.22 C ATOM 1245 NE2 HIS A 83 2.242 -24.895 -9.303 1.00 2.41 N ATOM 0 H HIS A 83 6.210 -21.852 -10.403 1.00 1.43 H new ATOM 0 HA HIS A 83 3.574 -21.271 -11.129 1.00 70.13 H new ATOM 0 HB2 HIS A 83 5.089 -22.090 -8.750 1.00 30.31 H new ATOM 0 HB3 HIS A 83 3.715 -21.082 -8.342 1.00 30.31 H new ATOM 0 HD2 HIS A 83 4.287 -24.672 -8.541 1.00 25.14 H new ATOM 0 HE1 HIS A 83 0.381 -24.255 -10.143 1.00 11.22 H new ATOM 0 HE2 HIS A 83 2.080 -25.896 -9.194 1.00 2.41 H new ATOM 1252 N ILE A 84 3.139 -18.869 -10.795 1.00 54.14 N ATOM 1253 CA ILE A 84 2.850 -17.450 -10.627 1.00 52.11 C ATOM 1254 C ILE A 84 2.073 -17.196 -9.340 1.00 42.42 C ATOM 1255 O ILE A 84 1.038 -17.817 -9.095 1.00 2.51 O ATOM 1256 CB ILE A 84 2.046 -16.894 -11.817 1.00 0.34 C ATOM 1257 CG1 ILE A 84 2.776 -17.181 -13.131 1.00 42.14 C ATOM 1258 CG2 ILE A 84 1.816 -15.400 -11.649 1.00 71.13 C ATOM 1259 CD1 ILE A 84 1.975 -18.032 -14.093 1.00 13.25 C ATOM 0 H ILE A 84 2.528 -19.349 -11.456 1.00 54.14 H new ATOM 0 HA ILE A 84 3.810 -16.937 -10.576 1.00 52.11 H new ATOM 0 HB ILE A 84 1.076 -17.390 -11.845 1.00 0.34 H new ATOM 0 HG12 ILE A 84 3.023 -16.236 -13.614 1.00 42.14 H new ATOM 0 HG13 ILE A 84 3.718 -17.683 -12.912 1.00 42.14 H new ATOM 0 HG21 ILE A 84 1.246 -15.022 -12.498 1.00 71.13 H new ATOM 0 HG22 ILE A 84 1.260 -15.219 -10.729 1.00 71.13 H new ATOM 0 HG23 ILE A 84 2.777 -14.887 -11.599 1.00 71.13 H new ATOM 0 HD11 ILE A 84 2.553 -18.196 -15.002 1.00 13.25 H new ATOM 0 HD12 ILE A 84 1.750 -18.992 -13.629 1.00 13.25 H new ATOM 0 HD13 ILE A 84 1.044 -17.522 -14.342 1.00 13.25 H new ATOM 1270 N GLN A 85 2.577 -16.278 -8.522 1.00 22.00 N ATOM 1271 CA GLN A 85 1.928 -15.941 -7.261 1.00 34.42 C ATOM 1272 C GLN A 85 1.587 -14.455 -7.203 1.00 31.31 C ATOM 1273 O GLN A 85 2.147 -13.651 -7.948 1.00 12.00 O ATOM 1274 CB GLN A 85 2.831 -16.314 -6.083 1.00 25.33 C ATOM 1275 CG GLN A 85 3.246 -17.777 -6.075 1.00 31.44 C ATOM 1276 CD GLN A 85 4.681 -17.974 -5.630 1.00 14.32 C ATOM 1277 OE1 GLN A 85 5.521 -17.088 -5.793 1.00 14.13 O ATOM 1278 NE2 GLN A 85 4.972 -19.139 -5.063 1.00 1.33 N ATOM 0 H GLN A 85 3.432 -15.755 -8.710 1.00 22.00 H new ATOM 0 HA GLN A 85 1.001 -16.511 -7.196 1.00 34.42 H new ATOM 0 HB2 GLN A 85 3.725 -15.691 -6.110 1.00 25.33 H new ATOM 0 HB3 GLN A 85 2.312 -16.087 -5.152 1.00 25.33 H new ATOM 0 HG2 GLN A 85 2.584 -18.335 -5.412 1.00 31.44 H new ATOM 0 HG3 GLN A 85 3.119 -18.192 -7.075 1.00 31.44 H new ATOM 0 HE21 GLN A 85 4.245 -19.846 -4.947 1.00 1.33 H new ATOM 0 HE22 GLN A 85 5.922 -19.327 -4.743 1.00 1.33 H new ATOM 1285 N TYR A 86 0.665 -14.099 -6.316 1.00 14.13 N ATOM 1286 CA TYR A 86 0.247 -12.711 -6.164 1.00 70.43 C ATOM 1287 C TYR A 86 -0.892 -12.592 -5.155 1.00 11.34 C ATOM 1288 O TYR A 86 -1.615 -13.555 -4.901 1.00 21.43 O ATOM 1289 CB TYR A 86 -0.190 -12.136 -7.513 1.00 24.23 C ATOM 1290 CG TYR A 86 -1.053 -13.079 -8.321 1.00 34.31 C ATOM 1291 CD1 TYR A 86 -2.401 -13.244 -8.025 1.00 1.22 C ATOM 1292 CD2 TYR A 86 -0.521 -13.806 -9.378 1.00 10.30 C ATOM 1293 CE1 TYR A 86 -3.193 -14.104 -8.760 1.00 63.22 C ATOM 1294 CE2 TYR A 86 -1.306 -14.667 -10.119 1.00 62.04 C ATOM 1295 CZ TYR A 86 -2.642 -14.813 -9.807 1.00 20.42 C ATOM 1296 OH TYR A 86 -3.427 -15.671 -10.541 1.00 45.40 O ATOM 0 H TYR A 86 0.193 -14.753 -5.691 1.00 14.13 H new ATOM 0 HA TYR A 86 1.099 -12.141 -5.793 1.00 70.43 H new ATOM 0 HB2 TYR A 86 -0.739 -11.210 -7.343 1.00 24.23 H new ATOM 0 HB3 TYR A 86 0.696 -11.880 -8.094 1.00 24.23 H new ATOM 0 HD1 TYR A 86 -2.836 -12.690 -7.206 1.00 1.22 H new ATOM 0 HD2 TYR A 86 0.525 -13.696 -9.625 1.00 10.30 H new ATOM 0 HE1 TYR A 86 -4.239 -14.221 -8.516 1.00 63.22 H new ATOM 0 HE2 TYR A 86 -0.876 -15.223 -10.939 1.00 62.04 H new ATOM 0 HH TYR A 86 -2.886 -16.091 -11.242 1.00 45.40 H new ATOM 1305 N VAL A 87 -1.045 -11.402 -4.583 1.00 10.22 N ATOM 1306 CA VAL A 87 -2.096 -11.154 -3.603 1.00 45.23 C ATOM 1307 C VAL A 87 -3.333 -10.556 -4.263 1.00 42.43 C ATOM 1308 O VAL A 87 -3.407 -10.452 -5.488 1.00 24.02 O ATOM 1309 CB VAL A 87 -1.613 -10.206 -2.489 1.00 25.22 C ATOM 1310 CG1 VAL A 87 -0.207 -10.580 -2.042 1.00 64.44 C ATOM 1311 CG2 VAL A 87 -1.665 -8.761 -2.961 1.00 52.21 C ATOM 0 H VAL A 87 -0.454 -10.594 -4.781 1.00 10.22 H new ATOM 0 HA VAL A 87 -2.352 -12.118 -3.164 1.00 45.23 H new ATOM 0 HB VAL A 87 -2.280 -10.309 -1.633 1.00 25.22 H new ATOM 0 HG11 VAL A 87 0.118 -9.900 -1.255 1.00 64.44 H new ATOM 0 HG12 VAL A 87 -0.206 -11.602 -1.662 1.00 64.44 H new ATOM 0 HG13 VAL A 87 0.475 -10.507 -2.889 1.00 64.44 H new ATOM 0 HG21 VAL A 87 -1.321 -8.105 -2.162 1.00 52.21 H new ATOM 0 HG22 VAL A 87 -1.022 -8.640 -3.833 1.00 52.21 H new ATOM 0 HG23 VAL A 87 -2.690 -8.502 -3.227 1.00 52.21 H new ATOM 1321 N ALA A 88 -4.302 -10.163 -3.444 1.00 41.23 N ATOM 1322 CA ALA A 88 -5.536 -9.572 -3.949 1.00 54.31 C ATOM 1323 C ALA A 88 -5.934 -8.349 -3.130 1.00 31.21 C ATOM 1324 O ALA A 88 -5.947 -7.227 -3.637 1.00 72.21 O ATOM 1325 CB ALA A 88 -6.656 -10.601 -3.941 1.00 4.32 C ATOM 0 H ALA A 88 -4.257 -10.243 -2.428 1.00 41.23 H new ATOM 0 HA ALA A 88 -5.361 -9.249 -4.975 1.00 54.31 H new ATOM 0 HB1 ALA A 88 -7.571 -10.146 -4.320 1.00 4.32 H new ATOM 0 HB2 ALA A 88 -6.380 -11.444 -4.575 1.00 4.32 H new ATOM 0 HB3 ALA A 88 -6.821 -10.952 -2.922 1.00 4.32 H new ATOM 1331 N SER A 89 -6.257 -8.572 -1.859 1.00 45.55 N ATOM 1332 CA SER A 89 -6.660 -7.488 -0.971 1.00 3.32 C ATOM 1333 C SER A 89 -5.453 -6.906 -0.242 1.00 0.14 C ATOM 1334 O SER A 89 -4.719 -7.624 0.438 1.00 11.20 O ATOM 1335 CB SER A 89 -7.690 -7.988 0.043 1.00 63.52 C ATOM 1336 OG SER A 89 -8.550 -6.939 0.456 1.00 22.31 O ATOM 0 H SER A 89 -6.247 -9.494 -1.422 1.00 45.55 H new ATOM 0 HA SER A 89 -7.110 -6.702 -1.578 1.00 3.32 H new ATOM 0 HB2 SER A 89 -8.278 -8.793 -0.398 1.00 63.52 H new ATOM 0 HB3 SER A 89 -7.178 -8.406 0.910 1.00 63.52 H new ATOM 0 HG SER A 89 -9.200 -7.285 1.103 1.00 22.31 H new ATOM 1341 N TYR A 90 -5.254 -5.602 -0.389 1.00 12.33 N ATOM 1342 CA TYR A 90 -4.134 -4.922 0.253 1.00 42.21 C ATOM 1343 C TYR A 90 -4.571 -3.579 0.830 1.00 72.33 C ATOM 1344 O TYR A 90 -5.485 -2.936 0.315 1.00 75.12 O ATOM 1345 CB TYR A 90 -2.996 -4.714 -0.747 1.00 62.20 C ATOM 1346 CG TYR A 90 -1.631 -5.051 -0.190 1.00 23.00 C ATOM 1347 CD1 TYR A 90 -1.066 -4.290 0.825 1.00 34.03 C ATOM 1348 CD2 TYR A 90 -0.908 -6.133 -0.678 1.00 41.22 C ATOM 1349 CE1 TYR A 90 0.181 -4.595 1.337 1.00 1.43 C ATOM 1350 CE2 TYR A 90 0.338 -6.446 -0.172 1.00 32.45 C ATOM 1351 CZ TYR A 90 0.879 -5.674 0.835 1.00 34.01 C ATOM 1352 OH TYR A 90 2.120 -5.981 1.343 1.00 32.12 O ATOM 0 H TYR A 90 -5.853 -4.994 -0.947 1.00 12.33 H new ATOM 0 HA TYR A 90 -3.780 -5.550 1.070 1.00 42.21 H new ATOM 0 HB2 TYR A 90 -3.181 -5.328 -1.628 1.00 62.20 H new ATOM 0 HB3 TYR A 90 -2.998 -3.675 -1.076 1.00 62.20 H new ATOM 0 HD1 TYR A 90 -1.610 -3.445 1.221 1.00 34.03 H new ATOM 0 HD2 TYR A 90 -1.328 -6.740 -1.467 1.00 41.22 H new ATOM 0 HE1 TYR A 90 0.607 -3.992 2.126 1.00 1.43 H new ATOM 0 HE2 TYR A 90 0.886 -7.291 -0.563 1.00 32.45 H new ATOM 0 HH TYR A 90 2.476 -6.769 0.882 1.00 32.12 H new ATOM 1361 N LYS A 91 -3.910 -3.162 1.906 1.00 53.44 N ATOM 1362 CA LYS A 91 -4.227 -1.895 2.554 1.00 15.25 C ATOM 1363 C LYS A 91 -3.199 -0.828 2.193 1.00 54.23 C ATOM 1364 O LYS A 91 -1.993 -1.046 2.312 1.00 32.21 O ATOM 1365 CB LYS A 91 -4.277 -2.076 4.073 1.00 54.52 C ATOM 1366 CG LYS A 91 -5.435 -1.348 4.734 1.00 52.23 C ATOM 1367 CD LYS A 91 -5.047 0.063 5.142 1.00 35.54 C ATOM 1368 CE LYS A 91 -6.170 1.051 4.871 1.00 74.34 C ATOM 1369 NZ LYS A 91 -5.938 1.827 3.622 1.00 22.12 N ATOM 0 H LYS A 91 -3.152 -3.683 2.347 1.00 53.44 H new ATOM 0 HA LYS A 91 -5.204 -1.568 2.200 1.00 15.25 H new ATOM 0 HB2 LYS A 91 -4.349 -3.139 4.302 1.00 54.52 H new ATOM 0 HB3 LYS A 91 -3.341 -1.720 4.504 1.00 54.52 H new ATOM 0 HG2 LYS A 91 -6.281 -1.310 4.048 1.00 52.23 H new ATOM 0 HG3 LYS A 91 -5.762 -1.905 5.612 1.00 52.23 H new ATOM 0 HD2 LYS A 91 -4.795 0.080 6.202 1.00 35.54 H new ATOM 0 HD3 LYS A 91 -4.154 0.368 4.597 1.00 35.54 H new ATOM 0 HE2 LYS A 91 -7.115 0.514 4.794 1.00 74.34 H new ATOM 0 HE3 LYS A 91 -6.261 1.737 5.713 1.00 74.34 H new ATOM 0 HZ1 LYS A 91 -5.773 2.826 3.860 1.00 22.12 H new ATOM 0 HZ2 LYS A 91 -5.106 1.447 3.127 1.00 22.12 H new ATOM 0 HZ3 LYS A 91 -6.773 1.751 3.006 1.00 22.12 H new ATOM 1379 N VAL A 92 -3.683 0.328 1.750 1.00 72.35 N ATOM 1380 CA VAL A 92 -2.808 1.431 1.374 1.00 51.33 C ATOM 1381 C VAL A 92 -3.074 2.663 2.233 1.00 0.02 C ATOM 1382 O VAL A 92 -4.114 3.307 2.107 1.00 21.32 O ATOM 1383 CB VAL A 92 -2.983 1.807 -0.109 1.00 61.24 C ATOM 1384 CG1 VAL A 92 -4.453 2.020 -0.436 1.00 63.42 C ATOM 1385 CG2 VAL A 92 -2.169 3.048 -0.445 1.00 24.41 C ATOM 0 H VAL A 92 -4.678 0.525 1.643 1.00 72.35 H new ATOM 0 HA VAL A 92 -1.785 1.091 1.537 1.00 51.33 H new ATOM 0 HB VAL A 92 -2.615 0.983 -0.720 1.00 61.24 H new ATOM 0 HG11 VAL A 92 -4.557 2.285 -1.488 1.00 63.42 H new ATOM 0 HG12 VAL A 92 -5.007 1.103 -0.236 1.00 63.42 H new ATOM 0 HG13 VAL A 92 -4.850 2.825 0.182 1.00 63.42 H new ATOM 0 HG21 VAL A 92 -2.305 3.299 -1.497 1.00 24.41 H new ATOM 0 HG22 VAL A 92 -2.504 3.881 0.173 1.00 24.41 H new ATOM 0 HG23 VAL A 92 -1.114 2.854 -0.252 1.00 24.41 H new ATOM 1395 N ALA A 93 -2.125 2.984 3.107 1.00 42.40 N ATOM 1396 CA ALA A 93 -2.256 4.139 3.985 1.00 33.43 C ATOM 1397 C ALA A 93 -1.071 5.087 3.826 1.00 23.54 C ATOM 1398 O ALA A 93 0.070 4.650 3.675 1.00 4.11 O ATOM 1399 CB ALA A 93 -2.383 3.690 5.433 1.00 65.41 C ATOM 0 H ALA A 93 -1.258 2.460 3.225 1.00 42.40 H new ATOM 0 HA ALA A 93 -3.160 4.678 3.702 1.00 33.43 H new ATOM 0 HB1 ALA A 93 -2.480 4.564 6.078 1.00 65.41 H new ATOM 0 HB2 ALA A 93 -3.265 3.059 5.542 1.00 65.41 H new ATOM 0 HB3 ALA A 93 -1.495 3.126 5.718 1.00 65.41 H new ATOM 1405 N HIS A 94 -1.349 6.385 3.861 1.00 53.12 N ATOM 1406 CA HIS A 94 -0.306 7.396 3.720 1.00 2.24 C ATOM 1407 C HIS A 94 -0.320 8.360 4.902 1.00 30.24 C ATOM 1408 O HIS A 94 -1.383 8.752 5.382 1.00 31.43 O ATOM 1409 CB HIS A 94 -0.488 8.169 2.414 1.00 53.20 C ATOM 1410 CG HIS A 94 -0.437 7.304 1.193 1.00 25.15 C ATOM 1411 ND1 HIS A 94 0.364 7.581 0.105 1.00 35.32 N ATOM 1412 CD2 HIS A 94 -1.094 6.158 0.891 1.00 14.20 C ATOM 1413 CE1 HIS A 94 0.198 6.646 -0.812 1.00 44.25 C ATOM 1414 NE2 HIS A 94 -0.682 5.770 -0.360 1.00 54.33 N ATOM 0 H HIS A 94 -2.288 6.763 3.986 1.00 53.12 H new ATOM 0 HA HIS A 94 0.658 6.887 3.700 1.00 2.24 H new ATOM 0 HB2 HIS A 94 -1.445 8.690 2.440 1.00 53.20 H new ATOM 0 HB3 HIS A 94 0.288 8.931 2.342 1.00 53.20 H new ATOM 0 HD1 HIS A 94 0.988 8.384 0.022 1.00 35.32 H new ATOM 0 HD2 HIS A 94 -1.809 5.645 1.518 1.00 14.20 H new ATOM 0 HE1 HIS A 94 0.697 6.604 -1.769 1.00 44.25 H new ATOM 1421 N SER A 95 0.868 8.736 5.367 1.00 53.32 N ATOM 1422 CA SER A 95 0.992 9.650 6.495 1.00 55.32 C ATOM 1423 C SER A 95 1.902 10.824 6.146 1.00 52.12 C ATOM 1424 O SER A 95 3.086 10.643 5.861 1.00 34.31 O ATOM 1425 CB SER A 95 1.539 8.913 7.718 1.00 33.31 C ATOM 1426 OG SER A 95 2.010 7.623 7.368 1.00 10.53 O ATOM 0 H SER A 95 1.757 8.421 4.979 1.00 53.32 H new ATOM 0 HA SER A 95 0.000 10.038 6.727 1.00 55.32 H new ATOM 0 HB2 SER A 95 2.349 9.491 8.162 1.00 33.31 H new ATOM 0 HB3 SER A 95 0.758 8.826 8.473 1.00 33.31 H new ATOM 0 HG SER A 95 2.686 7.702 6.663 1.00 10.53 H new ATOM 1431 N ASP A 96 1.340 12.028 6.171 1.00 2.21 N ATOM 1432 CA ASP A 96 2.100 13.232 5.858 1.00 74.12 C ATOM 1433 C ASP A 96 2.781 13.784 7.106 1.00 55.25 C ATOM 1434 O ASP A 96 3.997 13.977 7.129 1.00 64.21 O ATOM 1435 CB ASP A 96 1.183 14.296 5.249 1.00 31.54 C ATOM 1436 CG ASP A 96 0.039 13.690 4.461 1.00 75.24 C ATOM 1437 OD1 ASP A 96 0.272 12.690 3.751 1.00 22.51 O ATOM 1438 OD2 ASP A 96 -1.090 14.218 4.552 1.00 20.43 O ATOM 0 H ASP A 96 0.361 12.196 6.405 1.00 2.21 H new ATOM 0 HA ASP A 96 2.870 12.968 5.133 1.00 74.12 H new ATOM 0 HB2 ASP A 96 0.781 14.923 6.044 1.00 31.54 H new ATOM 0 HB3 ASP A 96 1.767 14.945 4.596 1.00 31.54 H new ATOM 1442 N ASP A 97 1.989 14.040 8.142 1.00 2.22 N ATOM 1443 CA ASP A 97 2.516 14.570 9.395 1.00 42.40 C ATOM 1444 C ASP A 97 2.773 13.448 10.394 1.00 23.53 C ATOM 1445 O ASP A 97 3.334 13.673 11.466 1.00 62.40 O ATOM 1446 CB ASP A 97 1.543 15.588 9.990 1.00 34.41 C ATOM 1447 CG ASP A 97 2.229 16.570 10.920 1.00 42.11 C ATOM 1448 OD1 ASP A 97 3.451 16.426 11.139 1.00 41.01 O ATOM 1449 OD2 ASP A 97 1.546 17.483 11.427 1.00 61.43 O ATOM 0 H ASP A 97 0.980 13.889 8.139 1.00 2.22 H new ATOM 0 HA ASP A 97 3.463 15.065 9.183 1.00 42.40 H new ATOM 0 HB2 ASP A 97 1.056 16.136 9.183 1.00 34.41 H new ATOM 0 HB3 ASP A 97 0.760 15.062 10.536 1.00 34.41 H new ATOM 1453 N GLY A 98 2.359 12.236 10.036 1.00 31.41 N ATOM 1454 CA GLY A 98 2.552 11.095 10.914 1.00 13.51 C ATOM 1455 C GLY A 98 1.331 10.805 11.764 1.00 43.01 C ATOM 1456 O GLY A 98 1.149 9.684 12.238 1.00 21.51 O ATOM 0 H GLY A 98 1.893 12.023 9.154 1.00 31.41 H new ATOM 0 HA2 GLY A 98 2.791 10.216 10.315 1.00 13.51 H new ATOM 0 HA3 GLY A 98 3.407 11.281 11.564 1.00 13.51 H new ATOM 1460 N VAL A 99 0.493 11.818 11.960 1.00 12.31 N ATOM 1461 CA VAL A 99 -0.717 11.666 12.759 1.00 52.13 C ATOM 1462 C VAL A 99 -1.943 11.486 11.872 1.00 44.23 C ATOM 1463 O VAL A 99 -2.940 10.895 12.287 1.00 54.25 O ATOM 1464 CB VAL A 99 -0.937 12.881 13.680 1.00 10.15 C ATOM 1465 CG1 VAL A 99 0.282 13.112 14.561 1.00 43.45 C ATOM 1466 CG2 VAL A 99 -1.255 14.121 12.858 1.00 20.31 C ATOM 0 H VAL A 99 0.630 12.753 11.576 1.00 12.31 H new ATOM 0 HA VAL A 99 -0.582 10.774 13.371 1.00 52.13 H new ATOM 0 HB VAL A 99 -1.789 12.675 14.328 1.00 10.15 H new ATOM 0 HG11 VAL A 99 0.108 13.974 15.204 1.00 43.45 H new ATOM 0 HG12 VAL A 99 0.459 12.230 15.176 1.00 43.45 H new ATOM 0 HG13 VAL A 99 1.154 13.298 13.934 1.00 43.45 H new ATOM 0 HG21 VAL A 99 -1.408 14.970 13.524 1.00 20.31 H new ATOM 0 HG22 VAL A 99 -0.425 14.333 12.184 1.00 20.31 H new ATOM 0 HG23 VAL A 99 -2.160 13.949 12.276 1.00 20.31 H new ATOM 1476 N GLN A 100 -1.861 11.997 10.648 1.00 53.24 N ATOM 1477 CA GLN A 100 -2.965 11.893 9.702 1.00 52.24 C ATOM 1478 C GLN A 100 -2.783 10.689 8.783 1.00 23.54 C ATOM 1479 O GLN A 100 -2.048 10.753 7.798 1.00 30.23 O ATOM 1480 CB GLN A 100 -3.075 13.172 8.869 1.00 34.03 C ATOM 1481 CG GLN A 100 -3.114 14.441 9.706 1.00 4.11 C ATOM 1482 CD GLN A 100 -3.230 15.694 8.860 1.00 70.41 C ATOM 1483 OE1 GLN A 100 -4.167 15.841 8.074 1.00 72.22 O ATOM 1484 NE2 GLN A 100 -2.278 16.605 9.017 1.00 33.40 N ATOM 0 H GLN A 100 -1.042 12.487 10.288 1.00 53.24 H new ATOM 0 HA GLN A 100 -3.885 11.758 10.271 1.00 52.24 H new ATOM 0 HB2 GLN A 100 -2.228 13.224 8.184 1.00 34.03 H new ATOM 0 HB3 GLN A 100 -3.976 13.122 8.258 1.00 34.03 H new ATOM 0 HG2 GLN A 100 -3.958 14.392 10.394 1.00 4.11 H new ATOM 0 HG3 GLN A 100 -2.211 14.499 10.313 1.00 4.11 H new ATOM 0 HE21 GLN A 100 -1.520 16.442 9.680 1.00 33.40 H new ATOM 0 HE22 GLN A 100 -2.304 17.469 8.475 1.00 33.40 H new ATOM 1491 N TRP A 101 -3.457 9.593 9.113 1.00 42.12 N ATOM 1492 CA TRP A 101 -3.369 8.374 8.317 1.00 65.40 C ATOM 1493 C TRP A 101 -4.444 8.351 7.236 1.00 11.45 C ATOM 1494 O TRP A 101 -5.607 8.051 7.507 1.00 4.23 O ATOM 1495 CB TRP A 101 -3.506 7.144 9.216 1.00 63.24 C ATOM 1496 CG TRP A 101 -2.751 7.262 10.505 1.00 34.01 C ATOM 1497 CD1 TRP A 101 -1.538 7.859 10.691 1.00 15.52 C ATOM 1498 CD2 TRP A 101 -3.159 6.769 11.786 1.00 4.44 C ATOM 1499 NE1 TRP A 101 -1.166 7.767 12.011 1.00 34.32 N ATOM 1500 CE2 TRP A 101 -2.144 7.104 12.703 1.00 10.15 C ATOM 1501 CE3 TRP A 101 -4.283 6.079 12.247 1.00 61.22 C ATOM 1502 CZ2 TRP A 101 -2.222 6.770 14.053 1.00 4.51 C ATOM 1503 CZ3 TRP A 101 -4.359 5.748 13.587 1.00 14.34 C ATOM 1504 CH2 TRP A 101 -3.333 6.094 14.477 1.00 64.14 C ATOM 0 H TRP A 101 -4.070 9.523 9.925 1.00 42.12 H new ATOM 0 HA TRP A 101 -2.393 8.355 7.832 1.00 65.40 H new ATOM 0 HB2 TRP A 101 -4.561 6.979 9.435 1.00 63.24 H new ATOM 0 HB3 TRP A 101 -3.152 6.266 8.675 1.00 63.24 H new ATOM 0 HD1 TRP A 101 -0.956 8.334 9.915 1.00 15.52 H new ATOM 0 HE1 TRP A 101 -0.302 8.133 12.410 1.00 34.32 H new ATOM 0 HE3 TRP A 101 -5.079 5.809 11.568 1.00 61.22 H new ATOM 0 HZ2 TRP A 101 -1.433 7.035 14.741 1.00 4.51 H new ATOM 0 HZ3 TRP A 101 -5.223 5.214 13.954 1.00 14.34 H new ATOM 0 HH2 TRP A 101 -3.421 5.821 15.518 1.00 64.14 H new ATOM 1514 N THR A 102 -4.047 8.669 6.007 1.00 0.14 N ATOM 1515 CA THR A 102 -4.976 8.685 4.884 1.00 50.04 C ATOM 1516 C THR A 102 -5.149 7.292 4.293 1.00 23.22 C ATOM 1517 O THR A 102 -4.253 6.773 3.627 1.00 33.04 O ATOM 1518 CB THR A 102 -4.502 9.646 3.777 1.00 2.41 C ATOM 1519 OG1 THR A 102 -4.417 10.980 4.289 1.00 20.22 O ATOM 1520 CG2 THR A 102 -5.452 9.612 2.589 1.00 22.12 C ATOM 0 H THR A 102 -3.088 8.919 5.765 1.00 0.14 H new ATOM 0 HA THR A 102 -5.934 9.033 5.271 1.00 50.04 H new ATOM 0 HB THR A 102 -3.516 9.323 3.443 1.00 2.41 H new ATOM 0 HG1 THR A 102 -4.113 11.584 3.579 1.00 20.22 H new ATOM 0 HG21 THR A 102 -5.097 10.298 1.820 1.00 22.12 H new ATOM 0 HG22 THR A 102 -5.491 8.601 2.183 1.00 22.12 H new ATOM 0 HG23 THR A 102 -6.449 9.912 2.912 1.00 22.12 H new ATOM 1528 N VAL A 103 -6.308 6.688 4.539 1.00 12.31 N ATOM 1529 CA VAL A 103 -6.599 5.353 4.029 1.00 11.50 C ATOM 1530 C VAL A 103 -7.407 5.423 2.738 1.00 20.31 C ATOM 1531 O VAL A 103 -7.688 6.507 2.227 1.00 51.22 O ATOM 1532 CB VAL A 103 -7.373 4.514 5.062 1.00 34.12 C ATOM 1533 CG1 VAL A 103 -6.513 4.255 6.291 1.00 63.22 C ATOM 1534 CG2 VAL A 103 -8.671 5.207 5.447 1.00 12.52 C ATOM 0 H VAL A 103 -7.061 7.102 5.089 1.00 12.31 H new ATOM 0 HA VAL A 103 -5.641 4.874 3.829 1.00 11.50 H new ATOM 0 HB VAL A 103 -7.621 3.553 4.611 1.00 34.12 H new ATOM 0 HG11 VAL A 103 -7.076 3.661 7.010 1.00 63.22 H new ATOM 0 HG12 VAL A 103 -5.613 3.714 5.998 1.00 63.22 H new ATOM 0 HG13 VAL A 103 -6.233 5.205 6.746 1.00 63.22 H new ATOM 0 HG21 VAL A 103 -9.205 4.600 6.178 1.00 12.52 H new ATOM 0 HG22 VAL A 103 -8.448 6.183 5.879 1.00 12.52 H new ATOM 0 HG23 VAL A 103 -9.291 5.336 4.560 1.00 12.52 H new ATOM 1544 N TYR A 104 -7.778 4.259 2.217 1.00 61.25 N ATOM 1545 CA TYR A 104 -8.554 4.187 0.984 1.00 13.15 C ATOM 1546 C TYR A 104 -9.948 3.627 1.249 1.00 73.22 C ATOM 1547 O TYR A 104 -10.228 2.465 0.955 1.00 34.34 O ATOM 1548 CB TYR A 104 -7.831 3.319 -0.047 1.00 5.43 C ATOM 1549 CG TYR A 104 -6.918 4.102 -0.965 1.00 45.14 C ATOM 1550 CD1 TYR A 104 -6.122 5.128 -0.474 1.00 3.11 C ATOM 1551 CD2 TYR A 104 -6.854 3.813 -2.323 1.00 51.01 C ATOM 1552 CE1 TYR A 104 -5.287 5.846 -1.309 1.00 62.42 C ATOM 1553 CE2 TYR A 104 -6.021 4.525 -3.165 1.00 1.31 C ATOM 1554 CZ TYR A 104 -5.241 5.541 -2.654 1.00 14.00 C ATOM 1555 OH TYR A 104 -4.409 6.253 -3.488 1.00 63.43 O ATOM 0 H TYR A 104 -7.554 3.353 2.629 1.00 61.25 H new ATOM 0 HA TYR A 104 -8.658 5.198 0.590 1.00 13.15 H new ATOM 0 HB2 TYR A 104 -7.245 2.562 0.475 1.00 5.43 H new ATOM 0 HB3 TYR A 104 -8.571 2.791 -0.648 1.00 5.43 H new ATOM 0 HD1 TYR A 104 -6.156 5.369 0.578 1.00 3.11 H new ATOM 0 HD2 TYR A 104 -7.465 3.019 -2.727 1.00 51.01 H new ATOM 0 HE1 TYR A 104 -4.674 6.641 -0.911 1.00 62.42 H new ATOM 0 HE2 TYR A 104 -5.981 4.287 -4.218 1.00 1.31 H new ATOM 0 HH TYR A 104 -4.494 5.913 -4.403 1.00 63.43 H new ATOM 1632 N LYS A 111 -11.945 0.738 4.516 1.00 3.20 N ATOM 1633 CA LYS A 111 -11.520 -0.648 4.361 1.00 42.01 C ATOM 1634 C LYS A 111 -10.290 -0.743 3.465 1.00 14.53 C ATOM 1635 O LYS A 111 -9.674 0.269 3.129 1.00 45.15 O ATOM 1636 CB LYS A 111 -12.656 -1.490 3.776 1.00 71.23 C ATOM 1637 CG LYS A 111 -12.904 -2.785 4.529 1.00 2.34 C ATOM 1638 CD LYS A 111 -13.363 -2.524 5.954 1.00 51.55 C ATOM 1639 CE LYS A 111 -14.772 -3.046 6.191 1.00 0.34 C ATOM 1640 NZ LYS A 111 -14.869 -4.510 5.936 1.00 1.30 N ATOM 0 HA LYS A 111 -11.261 -1.034 5.347 1.00 42.01 H new ATOM 0 HB2 LYS A 111 -13.572 -0.899 3.775 1.00 71.23 H new ATOM 0 HB3 LYS A 111 -12.426 -1.723 2.736 1.00 71.23 H new ATOM 0 HG2 LYS A 111 -13.658 -3.373 4.005 1.00 2.34 H new ATOM 0 HG3 LYS A 111 -11.990 -3.379 4.543 1.00 2.34 H new ATOM 0 HD2 LYS A 111 -12.675 -3.001 6.652 1.00 51.55 H new ATOM 0 HD3 LYS A 111 -13.332 -1.454 6.157 1.00 51.55 H new ATOM 0 HE2 LYS A 111 -15.070 -2.835 7.218 1.00 0.34 H new ATOM 0 HE3 LYS A 111 -15.470 -2.517 5.542 1.00 0.34 H new ATOM 0 HZ1 LYS A 111 -15.605 -4.921 6.546 1.00 1.30 H new ATOM 0 HZ2 LYS A 111 -15.115 -4.673 4.939 1.00 1.30 H new ATOM 0 HZ3 LYS A 111 -13.955 -4.960 6.145 1.00 1.30 H new ATOM 1650 N VAL A 112 -9.936 -1.966 3.080 1.00 55.23 N ATOM 1651 CA VAL A 112 -8.780 -2.191 2.220 1.00 30.53 C ATOM 1652 C VAL A 112 -9.188 -2.236 0.752 1.00 14.42 C ATOM 1653 O VAL A 112 -10.366 -2.383 0.429 1.00 41.52 O ATOM 1654 CB VAL A 112 -8.060 -3.504 2.582 1.00 30.30 C ATOM 1655 CG1 VAL A 112 -7.675 -3.514 4.054 1.00 64.41 C ATOM 1656 CG2 VAL A 112 -8.934 -4.702 2.243 1.00 51.02 C ATOM 0 H VAL A 112 -10.433 -2.815 3.350 1.00 55.23 H new ATOM 0 HA VAL A 112 -8.099 -1.355 2.379 1.00 30.53 H new ATOM 0 HB VAL A 112 -7.146 -3.571 1.992 1.00 30.30 H new ATOM 0 HG11 VAL A 112 -7.168 -4.449 4.291 1.00 64.41 H new ATOM 0 HG12 VAL A 112 -7.009 -2.677 4.261 1.00 64.41 H new ATOM 0 HG13 VAL A 112 -8.573 -3.423 4.666 1.00 64.41 H new ATOM 0 HG21 VAL A 112 -8.410 -5.621 2.505 1.00 51.02 H new ATOM 0 HG22 VAL A 112 -9.866 -4.643 2.805 1.00 51.02 H new ATOM 0 HG23 VAL A 112 -9.154 -4.702 1.175 1.00 51.02 H new ATOM 1666 N PHE A 113 -8.205 -2.109 -0.133 1.00 62.31 N ATOM 1667 CA PHE A 113 -8.461 -2.134 -1.568 1.00 44.42 C ATOM 1668 C PHE A 113 -7.956 -3.434 -2.188 1.00 71.12 C ATOM 1669 O PHE A 113 -6.765 -3.737 -2.135 1.00 12.31 O ATOM 1670 CB PHE A 113 -7.791 -0.938 -2.249 1.00 73.44 C ATOM 1671 CG PHE A 113 -8.740 0.186 -2.555 1.00 23.12 C ATOM 1672 CD1 PHE A 113 -9.658 0.613 -1.610 1.00 32.03 C ATOM 1673 CD2 PHE A 113 -8.715 0.813 -3.790 1.00 52.12 C ATOM 1674 CE1 PHE A 113 -10.532 1.646 -1.888 1.00 42.31 C ATOM 1675 CE2 PHE A 113 -9.586 1.847 -4.076 1.00 73.50 C ATOM 1676 CZ PHE A 113 -10.496 2.264 -3.123 1.00 44.13 C ATOM 0 H PHE A 113 -7.224 -1.988 0.118 1.00 62.31 H new ATOM 0 HA PHE A 113 -9.539 -2.073 -1.720 1.00 44.42 H new ATOM 0 HB2 PHE A 113 -6.993 -0.565 -1.607 1.00 73.44 H new ATOM 0 HB3 PHE A 113 -7.325 -1.272 -3.176 1.00 73.44 H new ATOM 0 HD1 PHE A 113 -9.691 0.132 -0.643 1.00 32.03 H new ATOM 0 HD2 PHE A 113 -8.006 0.490 -4.538 1.00 52.12 H new ATOM 0 HE1 PHE A 113 -11.242 1.970 -1.141 1.00 42.31 H new ATOM 0 HE2 PHE A 113 -9.556 2.328 -5.042 1.00 73.50 H new ATOM 0 HZ PHE A 113 -11.178 3.072 -3.343 1.00 44.13 H new ATOM 1685 N GLN A 114 -8.872 -4.198 -2.775 1.00 74.13 N ATOM 1686 CA GLN A 114 -8.521 -5.466 -3.403 1.00 52.31 C ATOM 1687 C GLN A 114 -8.711 -5.394 -4.915 1.00 63.41 C ATOM 1688 O GLN A 114 -9.557 -4.652 -5.410 1.00 42.23 O ATOM 1689 CB GLN A 114 -9.367 -6.599 -2.823 1.00 21.30 C ATOM 1690 CG GLN A 114 -10.862 -6.412 -3.034 1.00 11.14 C ATOM 1691 CD GLN A 114 -11.323 -6.887 -4.397 1.00 50.50 C ATOM 1692 OE1 GLN A 114 -11.116 -8.043 -4.767 1.00 65.04 O ATOM 1693 NE2 GLN A 114 -11.951 -5.995 -5.153 1.00 50.53 N ATOM 0 H GLN A 114 -9.863 -3.961 -2.829 1.00 74.13 H new ATOM 0 HA GLN A 114 -7.470 -5.667 -3.196 1.00 52.31 H new ATOM 0 HB2 GLN A 114 -9.059 -7.541 -3.278 1.00 21.30 H new ATOM 0 HB3 GLN A 114 -9.167 -6.681 -1.755 1.00 21.30 H new ATOM 0 HG2 GLN A 114 -11.405 -6.956 -2.261 1.00 11.14 H new ATOM 0 HG3 GLN A 114 -11.112 -5.358 -2.917 1.00 11.14 H new ATOM 0 HE21 GLN A 114 -12.101 -5.048 -4.806 1.00 50.53 H new ATOM 0 HE22 GLN A 114 -12.284 -6.257 -6.081 1.00 50.53 H new ATOM 1700 N GLY A 115 -7.918 -6.174 -5.644 1.00 31.34 N ATOM 1701 CA GLY A 115 -8.015 -6.184 -7.092 1.00 61.22 C ATOM 1702 C GLY A 115 -6.687 -6.479 -7.760 1.00 1.51 C ATOM 1703 O GLY A 115 -6.070 -5.592 -8.347 1.00 54.23 O ATOM 0 H GLY A 115 -7.210 -6.799 -5.258 1.00 31.34 H new ATOM 0 HA2 GLY A 115 -8.747 -6.932 -7.399 1.00 61.22 H new ATOM 0 HA3 GLY A 115 -8.384 -5.217 -7.435 1.00 61.22 H new ATOM 1707 N ASN A 116 -6.244 -7.729 -7.669 1.00 5.02 N ATOM 1708 CA ASN A 116 -4.979 -8.138 -8.268 1.00 30.13 C ATOM 1709 C ASN A 116 -4.983 -9.630 -8.583 1.00 23.32 C ATOM 1710 O ASN A 116 -4.699 -10.460 -7.718 1.00 35.22 O ATOM 1711 CB ASN A 116 -3.816 -7.806 -7.330 1.00 22.32 C ATOM 1712 CG ASN A 116 -3.827 -6.356 -6.887 1.00 15.23 C ATOM 1713 OD1 ASN A 116 -3.294 -5.482 -7.572 1.00 22.02 O ATOM 1714 ND2 ASN A 116 -4.433 -6.092 -5.736 1.00 23.14 N ATOM 0 H ASN A 116 -6.743 -8.476 -7.186 1.00 5.02 H new ATOM 0 HA ASN A 116 -4.853 -7.589 -9.201 1.00 30.13 H new ATOM 0 HB2 ASN A 116 -3.864 -8.451 -6.453 1.00 22.32 H new ATOM 0 HB3 ASN A 116 -2.874 -8.022 -7.833 1.00 22.32 H new ATOM 0 HD21 ASN A 116 -4.470 -5.134 -5.387 1.00 23.14 H new ATOM 0 HD22 ASN A 116 -4.862 -6.847 -5.200 1.00 23.14 H new ATOM 1720 N LEU A 117 -5.307 -9.966 -9.826 1.00 51.13 N ATOM 1721 CA LEU A 117 -5.348 -11.359 -10.257 1.00 5.04 C ATOM 1722 C LEU A 117 -4.339 -11.614 -11.372 1.00 3.34 C ATOM 1723 O LEU A 117 -4.579 -12.426 -12.267 1.00 53.12 O ATOM 1724 CB LEU A 117 -6.754 -11.725 -10.733 1.00 23.42 C ATOM 1725 CG LEU A 117 -7.907 -11.262 -9.841 1.00 52.03 C ATOM 1726 CD1 LEU A 117 -9.229 -11.354 -10.587 1.00 63.34 C ATOM 1727 CD2 LEU A 117 -7.955 -12.083 -8.562 1.00 23.45 C ATOM 0 H LEU A 117 -5.545 -9.293 -10.554 1.00 51.13 H new ATOM 0 HA LEU A 117 -5.085 -11.985 -9.404 1.00 5.04 H new ATOM 0 HB2 LEU A 117 -6.900 -11.305 -11.728 1.00 23.42 H new ATOM 0 HB3 LEU A 117 -6.811 -12.809 -10.833 1.00 23.42 H new ATOM 0 HG LEU A 117 -7.737 -10.219 -9.572 1.00 52.03 H new ATOM 0 HD11 LEU A 117 -10.038 -11.021 -9.937 1.00 63.34 H new ATOM 0 HD12 LEU A 117 -9.191 -10.721 -11.473 1.00 63.34 H new ATOM 0 HD13 LEU A 117 -9.407 -12.387 -10.886 1.00 63.34 H new ATOM 0 HD21 LEU A 117 -8.781 -11.739 -7.940 1.00 23.45 H new ATOM 0 HD22 LEU A 117 -8.100 -13.134 -8.810 1.00 23.45 H new ATOM 0 HD23 LEU A 117 -7.018 -11.964 -8.018 1.00 23.45 H new ATOM 1738 N ASP A 118 -3.209 -10.917 -11.312 1.00 32.43 N ATOM 1739 CA ASP A 118 -2.162 -11.070 -12.315 1.00 22.50 C ATOM 1740 C ASP A 118 -0.821 -10.578 -11.780 1.00 23.52 C ATOM 1741 O ASP A 118 -0.761 -9.601 -11.035 1.00 14.34 O ATOM 1742 CB ASP A 118 -2.529 -10.307 -13.587 1.00 54.42 C ATOM 1743 CG ASP A 118 -2.608 -11.209 -14.803 1.00 52.10 C ATOM 1744 OD1 ASP A 118 -1.587 -11.845 -15.136 1.00 40.51 O ATOM 1745 OD2 ASP A 118 -3.692 -11.279 -15.421 1.00 13.52 O ATOM 0 H ASP A 118 -2.995 -10.241 -10.579 1.00 32.43 H new ATOM 0 HA ASP A 118 -2.071 -12.130 -12.551 1.00 22.50 H new ATOM 0 HB2 ASP A 118 -3.489 -9.810 -13.444 1.00 54.42 H new ATOM 0 HB3 ASP A 118 -1.789 -9.527 -13.765 1.00 54.42 H new ATOM 1749 N ASN A 119 0.252 -11.263 -12.164 1.00 53.53 N ATOM 1750 CA ASN A 119 1.592 -10.896 -11.721 1.00 43.15 C ATOM 1751 C ASN A 119 2.301 -10.050 -12.775 1.00 62.13 C ATOM 1752 O ASN A 119 3.199 -9.271 -12.460 1.00 62.32 O ATOM 1753 CB ASN A 119 2.414 -12.151 -11.421 1.00 11.40 C ATOM 1754 CG ASN A 119 3.037 -12.746 -12.669 1.00 60.34 C ATOM 1755 OD1 ASN A 119 2.355 -12.974 -13.668 1.00 41.24 O ATOM 1756 ND2 ASN A 119 4.338 -13.001 -12.616 1.00 22.34 N ATOM 0 H ASN A 119 0.219 -12.075 -12.781 1.00 53.53 H new ATOM 0 HA ASN A 119 1.497 -10.305 -10.810 1.00 43.15 H new ATOM 0 HB2 ASN A 119 3.200 -11.905 -10.708 1.00 11.40 H new ATOM 0 HB3 ASN A 119 1.775 -12.896 -10.947 1.00 11.40 H new ATOM 0 HD21 ASN A 119 4.812 -13.402 -13.425 1.00 22.34 H new ATOM 0 HD22 ASN A 119 4.864 -12.796 -11.766 1.00 22.34 H new ATOM 1762 N ASN A 120 1.889 -10.210 -14.029 1.00 42.00 N ATOM 1763 CA ASN A 120 2.484 -9.462 -15.130 1.00 54.32 C ATOM 1764 C ASN A 120 1.958 -8.030 -15.162 1.00 44.32 C ATOM 1765 O ASN A 120 2.694 -7.081 -14.892 1.00 33.33 O ATOM 1766 CB ASN A 120 2.191 -10.155 -16.463 1.00 73.44 C ATOM 1767 CG ASN A 120 3.228 -11.204 -16.809 1.00 2.42 C ATOM 1768 OD1 ASN A 120 4.423 -11.010 -16.584 1.00 21.24 O ATOM 1769 ND2 ASN A 120 2.776 -12.324 -17.362 1.00 55.13 N ATOM 0 H ASN A 120 1.146 -10.851 -14.307 1.00 42.00 H new ATOM 0 HA ASN A 120 3.562 -9.431 -14.974 1.00 54.32 H new ATOM 0 HB2 ASN A 120 1.207 -10.622 -16.418 1.00 73.44 H new ATOM 0 HB3 ASN A 120 2.154 -9.409 -17.257 1.00 73.44 H new ATOM 0 HD21 ASN A 120 3.428 -13.066 -17.618 1.00 55.13 H new ATOM 0 HD22 ASN A 120 1.777 -12.442 -17.531 1.00 55.13 H new ATOM 1775 N SER A 121 0.679 -7.882 -15.494 1.00 1.13 N ATOM 1776 CA SER A 121 0.055 -6.567 -15.564 1.00 41.43 C ATOM 1777 C SER A 121 0.328 -5.767 -14.294 1.00 62.35 C ATOM 1778 O SER A 121 0.187 -6.279 -13.183 1.00 10.02 O ATOM 1779 CB SER A 121 -1.453 -6.705 -15.780 1.00 43.01 C ATOM 1780 OG SER A 121 -1.739 -7.652 -16.795 1.00 3.20 O ATOM 0 H SER A 121 0.055 -8.657 -15.719 1.00 1.13 H new ATOM 0 HA SER A 121 0.488 -6.032 -16.409 1.00 41.43 H new ATOM 0 HB2 SER A 121 -1.930 -7.010 -14.849 1.00 43.01 H new ATOM 0 HB3 SER A 121 -1.875 -5.737 -16.052 1.00 43.01 H new ATOM 0 HG SER A 121 -2.709 -7.723 -16.912 1.00 3.20 H new ATOM 1785 N HIS A 122 0.717 -4.509 -14.466 1.00 51.34 N ATOM 1786 CA HIS A 122 1.009 -3.636 -13.334 1.00 21.33 C ATOM 1787 C HIS A 122 -0.115 -2.626 -13.123 1.00 14.43 C ATOM 1788 O HIS A 122 -0.593 -2.007 -14.073 1.00 65.24 O ATOM 1789 CB HIS A 122 2.333 -2.905 -13.554 1.00 4.22 C ATOM 1790 CG HIS A 122 2.209 -1.687 -14.417 1.00 2.21 C ATOM 1791 ND1 HIS A 122 1.557 -1.689 -15.632 1.00 20.41 N ATOM 1792 CD2 HIS A 122 2.656 -0.423 -14.233 1.00 0.32 C ATOM 1793 CE1 HIS A 122 1.610 -0.479 -16.159 1.00 13.44 C ATOM 1794 NE2 HIS A 122 2.272 0.309 -15.330 1.00 23.13 N ATOM 0 H HIS A 122 0.838 -4.070 -15.379 1.00 51.34 H new ATOM 0 HA HIS A 122 1.090 -4.255 -12.441 1.00 21.33 H new ATOM 0 HB2 HIS A 122 2.743 -2.615 -12.587 1.00 4.22 H new ATOM 0 HB3 HIS A 122 3.046 -3.592 -14.010 1.00 4.22 H new ATOM 0 HD2 HIS A 122 3.211 -0.058 -13.382 1.00 0.32 H new ATOM 0 HE1 HIS A 122 1.184 -0.184 -17.107 1.00 13.44 H new ATOM 0 HE2 HIS A 122 2.466 1.299 -15.480 1.00 23.13 H new ATOM 1801 N LYS A 123 -0.530 -2.464 -11.871 1.00 63.30 N ATOM 1802 CA LYS A 123 -1.597 -1.529 -11.534 1.00 33.10 C ATOM 1803 C LYS A 123 -2.000 -1.669 -10.069 1.00 2.22 C ATOM 1804 O LYS A 123 -1.560 -2.589 -9.379 1.00 73.11 O ATOM 1805 CB LYS A 123 -2.813 -1.764 -12.433 1.00 34.24 C ATOM 1806 CG LYS A 123 -3.104 -0.610 -13.376 1.00 60.34 C ATOM 1807 CD LYS A 123 -4.598 -0.377 -13.528 1.00 31.21 C ATOM 1808 CE LYS A 123 -5.085 0.731 -12.606 1.00 70.43 C ATOM 1809 NZ LYS A 123 -6.410 1.263 -13.030 1.00 64.31 N ATOM 0 H LYS A 123 -0.144 -2.968 -11.073 1.00 63.30 H new ATOM 0 HA LYS A 123 -1.224 -0.518 -11.696 1.00 33.10 H new ATOM 0 HB2 LYS A 123 -2.652 -2.669 -13.019 1.00 34.24 H new ATOM 0 HB3 LYS A 123 -3.688 -1.941 -11.808 1.00 34.24 H new ATOM 0 HG2 LYS A 123 -2.630 0.297 -13.000 1.00 60.34 H new ATOM 0 HG3 LYS A 123 -2.666 -0.817 -14.352 1.00 60.34 H new ATOM 0 HD2 LYS A 123 -4.824 -0.117 -14.562 1.00 31.21 H new ATOM 0 HD3 LYS A 123 -5.136 -1.299 -13.307 1.00 31.21 H new ATOM 0 HE2 LYS A 123 -5.156 0.351 -11.587 1.00 70.43 H new ATOM 0 HE3 LYS A 123 -4.355 1.541 -12.594 1.00 70.43 H new ATOM 0 HZ1 LYS A 123 -6.707 2.016 -12.377 1.00 64.31 H new ATOM 0 HZ2 LYS A 123 -6.337 1.649 -13.993 1.00 64.31 H new ATOM 0 HZ3 LYS A 123 -7.112 0.496 -13.017 1.00 64.31 H new ATOM 1819 N LYS A 124 -2.839 -0.751 -9.601 1.00 44.24 N ATOM 1820 CA LYS A 124 -3.304 -0.773 -8.219 1.00 45.23 C ATOM 1821 C LYS A 124 -4.487 0.172 -8.028 1.00 4.51 C ATOM 1822 O LYS A 124 -5.613 -0.268 -7.798 1.00 54.14 O ATOM 1823 CB LYS A 124 -2.168 -0.384 -7.271 1.00 54.12 C ATOM 1824 CG LYS A 124 -2.341 -0.920 -5.861 1.00 45.13 C ATOM 1825 CD LYS A 124 -3.478 -0.222 -5.134 1.00 72.23 C ATOM 1826 CE LYS A 124 -3.179 -0.068 -3.650 1.00 41.52 C ATOM 1827 NZ LYS A 124 -3.886 -1.093 -2.833 1.00 2.25 N ATOM 0 H LYS A 124 -3.211 0.018 -10.159 1.00 44.24 H new ATOM 0 HA LYS A 124 -3.631 -1.787 -7.988 1.00 45.23 H new ATOM 0 HB2 LYS A 124 -1.226 -0.751 -7.677 1.00 54.12 H new ATOM 0 HB3 LYS A 124 -2.096 0.703 -7.231 1.00 54.12 H new ATOM 0 HG2 LYS A 124 -2.536 -1.992 -5.900 1.00 45.13 H new ATOM 0 HG3 LYS A 124 -1.414 -0.785 -5.303 1.00 45.13 H new ATOM 0 HD2 LYS A 124 -3.646 0.760 -5.576 1.00 72.23 H new ATOM 0 HD3 LYS A 124 -4.398 -0.791 -5.264 1.00 72.23 H new ATOM 0 HE2 LYS A 124 -2.105 -0.150 -3.485 1.00 41.52 H new ATOM 0 HE3 LYS A 124 -3.477 0.928 -3.321 1.00 41.52 H new ATOM 0 HZ1 LYS A 124 -3.657 -0.955 -1.828 1.00 2.25 H new ATOM 0 HZ2 LYS A 124 -4.913 -0.999 -2.970 1.00 2.25 H new ATOM 0 HZ3 LYS A 124 -3.583 -2.043 -3.130 1.00 2.25 H new ATOM 1837 N ASN A 125 -4.223 1.470 -8.128 1.00 2.21 N ATOM 1838 CA ASN A 125 -5.266 2.476 -7.967 1.00 52.52 C ATOM 1839 C ASN A 125 -4.800 3.832 -8.490 1.00 61.24 C ATOM 1840 O ASN A 125 -3.622 4.177 -8.386 1.00 51.24 O ATOM 1841 CB ASN A 125 -5.667 2.596 -6.495 1.00 4.23 C ATOM 1842 CG ASN A 125 -7.169 2.680 -6.310 1.00 72.20 C ATOM 1843 OD1 ASN A 125 -7.884 1.694 -6.484 1.00 42.12 O ATOM 1844 ND2 ASN A 125 -7.655 3.864 -5.953 1.00 2.23 N ATOM 0 H ASN A 125 -3.296 1.850 -8.320 1.00 2.21 H new ATOM 0 HA ASN A 125 -6.132 2.160 -8.548 1.00 52.52 H new ATOM 0 HB2 ASN A 125 -5.284 1.736 -5.946 1.00 4.23 H new ATOM 0 HB3 ASN A 125 -5.201 3.483 -6.065 1.00 4.23 H new ATOM 0 HD21 ASN A 125 -8.658 3.982 -5.812 1.00 2.23 H new ATOM 0 HD22 ASN A 125 -7.025 4.655 -5.820 1.00 2.23 H new ATOM 1850 N ILE A 126 -5.731 4.595 -9.051 1.00 41.35 N ATOM 1851 CA ILE A 126 -5.417 5.913 -9.589 1.00 14.30 C ATOM 1852 C ILE A 126 -5.514 6.986 -8.509 1.00 25.43 C ATOM 1853 O ILE A 126 -5.884 6.702 -7.369 1.00 23.11 O ATOM 1854 CB ILE A 126 -6.354 6.286 -10.751 1.00 5.41 C ATOM 1855 CG1 ILE A 126 -5.602 7.112 -11.798 1.00 22.23 C ATOM 1856 CG2 ILE A 126 -7.563 7.051 -10.234 1.00 72.03 C ATOM 1857 CD1 ILE A 126 -5.376 6.377 -13.100 1.00 50.01 C ATOM 0 H ILE A 126 -6.710 4.323 -9.145 1.00 41.35 H new ATOM 0 HA ILE A 126 -4.393 5.865 -9.960 1.00 14.30 H new ATOM 0 HB ILE A 126 -6.704 5.368 -11.223 1.00 5.41 H new ATOM 0 HG12 ILE A 126 -6.162 8.026 -11.998 1.00 22.23 H new ATOM 0 HG13 ILE A 126 -4.638 7.412 -11.388 1.00 22.23 H new ATOM 0 HG21 ILE A 126 -8.216 7.307 -11.069 1.00 72.03 H new ATOM 0 HG22 ILE A 126 -8.109 6.431 -9.523 1.00 72.03 H new ATOM 0 HG23 ILE A 126 -7.232 7.964 -9.739 1.00 72.03 H new ATOM 0 HD11 ILE A 126 -4.838 7.023 -13.794 1.00 50.01 H new ATOM 0 HD12 ILE A 126 -4.790 5.477 -12.913 1.00 50.01 H new ATOM 0 HD13 ILE A 126 -6.337 6.100 -13.533 1.00 50.01 H new ATOM 1868 N PHE A 127 -5.181 8.218 -8.874 1.00 52.44 N ATOM 1869 CA PHE A 127 -5.232 9.335 -7.937 1.00 45.01 C ATOM 1870 C PHE A 127 -6.531 9.314 -7.138 1.00 74.44 C ATOM 1871 O PHE A 127 -7.617 9.482 -7.693 1.00 30.23 O ATOM 1872 CB PHE A 127 -5.101 10.663 -8.685 1.00 70.25 C ATOM 1873 CG PHE A 127 -6.241 10.936 -9.625 1.00 0.04 C ATOM 1874 CD1 PHE A 127 -6.293 10.325 -10.868 1.00 13.34 C ATOM 1875 CD2 PHE A 127 -7.259 11.804 -9.267 1.00 64.44 C ATOM 1876 CE1 PHE A 127 -7.339 10.575 -11.735 1.00 22.41 C ATOM 1877 CE2 PHE A 127 -8.309 12.057 -10.129 1.00 14.44 C ATOM 1878 CZ PHE A 127 -8.349 11.442 -11.365 1.00 21.43 C ATOM 0 H PHE A 127 -4.872 8.470 -9.813 1.00 52.44 H new ATOM 0 HA PHE A 127 -4.397 9.234 -7.243 1.00 45.01 H new ATOM 0 HB2 PHE A 127 -5.036 11.474 -7.960 1.00 70.25 H new ATOM 0 HB3 PHE A 127 -4.168 10.663 -9.248 1.00 70.25 H new ATOM 0 HD1 PHE A 127 -5.507 9.646 -11.162 1.00 13.34 H new ATOM 0 HD2 PHE A 127 -7.232 12.289 -8.302 1.00 64.44 H new ATOM 0 HE1 PHE A 127 -7.367 10.093 -12.701 1.00 22.41 H new ATOM 0 HE2 PHE A 127 -9.097 12.735 -9.837 1.00 14.44 H new ATOM 0 HZ PHE A 127 -9.168 11.638 -12.041 1.00 21.43 H new ATOM 1887 N GLU A 128 -6.412 9.106 -5.830 1.00 31.42 N ATOM 1888 CA GLU A 128 -7.577 9.063 -4.953 1.00 5.35 C ATOM 1889 C GLU A 128 -7.444 10.076 -3.822 1.00 71.22 C ATOM 1890 O GLU A 128 -8.387 10.305 -3.063 1.00 21.31 O ATOM 1891 CB GLU A 128 -7.755 7.657 -4.376 1.00 63.11 C ATOM 1892 CG GLU A 128 -9.204 7.288 -4.110 1.00 62.30 C ATOM 1893 CD GLU A 128 -10.067 7.377 -5.353 1.00 74.43 C ATOM 1894 OE1 GLU A 128 -9.987 6.463 -6.200 1.00 34.01 O ATOM 1895 OE2 GLU A 128 -10.825 8.363 -5.478 1.00 43.44 O ATOM 0 H GLU A 128 -5.521 8.965 -5.354 1.00 31.42 H new ATOM 0 HA GLU A 128 -8.456 9.320 -5.545 1.00 5.35 H new ATOM 0 HB2 GLU A 128 -7.325 6.932 -5.068 1.00 63.11 H new ATOM 0 HB3 GLU A 128 -7.193 7.581 -3.445 1.00 63.11 H new ATOM 0 HG2 GLU A 128 -9.250 6.274 -3.713 1.00 62.30 H new ATOM 0 HG3 GLU A 128 -9.608 7.949 -3.344 1.00 62.30 H new ATOM 1900 N LYS A 129 -6.267 10.682 -3.713 1.00 34.11 N ATOM 1901 CA LYS A 129 -6.009 11.673 -2.674 1.00 33.04 C ATOM 1902 C LYS A 129 -4.649 12.334 -2.878 1.00 43.23 C ATOM 1903 O LYS A 129 -3.667 12.006 -2.213 1.00 32.23 O ATOM 1904 CB LYS A 129 -6.068 11.020 -1.291 1.00 41.22 C ATOM 1905 CG LYS A 129 -7.372 11.271 -0.554 1.00 54.24 C ATOM 1906 CD LYS A 129 -7.143 12.037 0.738 1.00 71.30 C ATOM 1907 CE LYS A 129 -7.362 13.531 0.548 1.00 24.14 C ATOM 1908 NZ LYS A 129 -7.222 14.279 1.828 1.00 50.32 N ATOM 0 H LYS A 129 -5.476 10.504 -4.332 1.00 34.11 H new ATOM 0 HA LYS A 129 -6.780 12.441 -2.740 1.00 33.04 H new ATOM 0 HB2 LYS A 129 -5.923 9.945 -1.400 1.00 41.22 H new ATOM 0 HB3 LYS A 129 -5.241 11.394 -0.687 1.00 41.22 H new ATOM 0 HG2 LYS A 129 -8.051 11.832 -1.195 1.00 54.24 H new ATOM 0 HG3 LYS A 129 -7.855 10.319 -0.333 1.00 54.24 H new ATOM 0 HD2 LYS A 129 -7.819 11.664 1.508 1.00 71.30 H new ATOM 0 HD3 LYS A 129 -6.128 11.859 1.092 1.00 71.30 H new ATOM 0 HE2 LYS A 129 -6.644 13.914 -0.177 1.00 24.14 H new ATOM 0 HE3 LYS A 129 -8.355 13.703 0.134 1.00 24.14 H new ATOM 0 HZ1 LYS A 129 -7.378 15.293 1.657 1.00 50.32 H new ATOM 0 HZ2 LYS A 129 -7.924 13.931 2.512 1.00 50.32 H new ATOM 0 HZ3 LYS A 129 -6.266 14.136 2.211 1.00 50.32 H new ATOM 1918 N PRO A 130 -4.590 13.289 -3.819 1.00 22.43 N ATOM 1919 CA PRO A 130 -3.356 14.016 -4.130 1.00 71.03 C ATOM 1920 C PRO A 130 -2.940 14.960 -3.007 1.00 62.23 C ATOM 1921 O PRO A 130 -3.697 15.851 -2.618 1.00 22.53 O ATOM 1922 CB PRO A 130 -3.721 14.810 -5.387 1.00 1.14 C ATOM 1923 CG PRO A 130 -5.200 14.973 -5.317 1.00 70.32 C ATOM 1924 CD PRO A 130 -5.722 13.731 -4.649 1.00 41.41 C ATOM 0 HA PRO A 130 -2.509 13.343 -4.264 1.00 71.03 H new ATOM 0 HB2 PRO A 130 -3.217 15.776 -5.405 1.00 1.14 H new ATOM 0 HB3 PRO A 130 -3.424 14.278 -6.291 1.00 1.14 H new ATOM 0 HG2 PRO A 130 -5.468 15.864 -4.749 1.00 70.32 H new ATOM 0 HG3 PRO A 130 -5.627 15.090 -6.313 1.00 70.32 H new ATOM 0 HD2 PRO A 130 -6.605 13.940 -4.045 1.00 41.41 H new ATOM 0 HD3 PRO A 130 -6.006 12.972 -5.378 1.00 41.41 H new ATOM 1929 N PHE A 131 -1.733 14.760 -2.489 1.00 71.43 N ATOM 1930 CA PHE A 131 -1.217 15.593 -1.409 1.00 33.35 C ATOM 1931 C PHE A 131 0.173 15.131 -0.982 1.00 2.03 C ATOM 1932 O PHE A 131 0.610 14.036 -1.335 1.00 33.51 O ATOM 1933 CB PHE A 131 -2.169 15.560 -0.211 1.00 11.14 C ATOM 1934 CG PHE A 131 -2.450 16.917 0.368 1.00 31.03 C ATOM 1935 CD1 PHE A 131 -2.924 17.943 -0.433 1.00 5.03 C ATOM 1936 CD2 PHE A 131 -2.240 17.166 1.715 1.00 71.03 C ATOM 1937 CE1 PHE A 131 -3.185 19.192 0.097 1.00 54.11 C ATOM 1938 CE2 PHE A 131 -2.500 18.413 2.251 1.00 15.20 C ATOM 1939 CZ PHE A 131 -2.972 19.428 1.441 1.00 0.11 C ATOM 0 H PHE A 131 -1.094 14.028 -2.800 1.00 71.43 H new ATOM 0 HA PHE A 131 -1.143 16.616 -1.777 1.00 33.35 H new ATOM 0 HB2 PHE A 131 -3.110 15.102 -0.517 1.00 11.14 H new ATOM 0 HB3 PHE A 131 -1.742 14.924 0.565 1.00 11.14 H new ATOM 0 HD1 PHE A 131 -3.092 17.764 -1.485 1.00 5.03 H new ATOM 0 HD2 PHE A 131 -1.869 16.377 2.353 1.00 71.03 H new ATOM 0 HE1 PHE A 131 -3.555 19.983 -0.539 1.00 54.11 H new ATOM 0 HE2 PHE A 131 -2.334 18.594 3.303 1.00 15.20 H new ATOM 0 HZ PHE A 131 -3.174 20.404 1.858 1.00 0.11 H new ATOM 1948 N MET A 132 0.863 15.973 -0.220 1.00 61.55 N ATOM 1949 CA MET A 132 2.203 15.651 0.256 1.00 51.21 C ATOM 1950 C MET A 132 2.166 14.477 1.229 1.00 23.21 C ATOM 1951 O MET A 132 1.127 14.177 1.816 1.00 52.10 O ATOM 1952 CB MET A 132 2.834 16.870 0.932 1.00 20.10 C ATOM 1953 CG MET A 132 1.984 17.452 2.050 1.00 1.13 C ATOM 1954 SD MET A 132 1.826 19.245 1.940 1.00 64.11 S ATOM 1955 CE MET A 132 0.955 19.413 0.384 1.00 71.41 C ATOM 0 H MET A 132 0.516 16.884 0.081 1.00 61.55 H new ATOM 0 HA MET A 132 2.809 15.368 -0.604 1.00 51.21 H new ATOM 0 HB2 MET A 132 3.807 16.589 1.335 1.00 20.10 H new ATOM 0 HB3 MET A 132 3.010 17.641 0.182 1.00 20.10 H new ATOM 0 HG2 MET A 132 0.992 17.001 2.020 1.00 1.13 H new ATOM 0 HG3 MET A 132 2.425 17.188 3.011 1.00 1.13 H new ATOM 0 HE1 MET A 132 0.704 20.461 0.219 1.00 71.41 H new ATOM 0 HE2 MET A 132 1.590 19.059 -0.428 1.00 71.41 H new ATOM 0 HE3 MET A 132 0.040 18.821 0.413 1.00 71.41 H new ATOM 1963 N ALA A 133 3.307 13.816 1.395 1.00 43.20 N ATOM 1964 CA ALA A 133 3.405 12.675 2.298 1.00 12.11 C ATOM 1965 C ALA A 133 4.852 12.423 2.708 1.00 2.52 C ATOM 1966 O ALA A 133 5.777 12.657 1.930 1.00 22.43 O ATOM 1967 CB ALA A 133 2.814 11.434 1.646 1.00 30.31 C ATOM 0 H ALA A 133 4.176 14.051 0.916 1.00 43.20 H new ATOM 0 HA ALA A 133 2.835 12.905 3.198 1.00 12.11 H new ATOM 0 HB1 ALA A 133 2.894 10.590 2.331 1.00 30.31 H new ATOM 0 HB2 ALA A 133 1.765 11.612 1.410 1.00 30.31 H new ATOM 0 HB3 ALA A 133 3.359 11.210 0.729 1.00 30.31 H new ATOM 1973 N ARG A 134 5.040 11.943 3.933 1.00 53.22 N ATOM 1974 CA ARG A 134 6.375 11.661 4.446 1.00 74.00 C ATOM 1975 C ARG A 134 6.677 10.167 4.380 1.00 34.42 C ATOM 1976 O ARG A 134 7.778 9.761 4.006 1.00 50.25 O ATOM 1977 CB ARG A 134 6.505 12.156 5.887 1.00 35.34 C ATOM 1978 CG ARG A 134 7.703 13.065 6.113 1.00 31.31 C ATOM 1979 CD ARG A 134 8.458 12.688 7.378 1.00 72.14 C ATOM 1980 NE ARG A 134 9.202 11.442 7.221 1.00 63.20 N ATOM 1981 CZ ARG A 134 10.222 11.092 7.996 1.00 1.52 C ATOM 1982 NH1 ARG A 134 10.618 11.891 8.976 1.00 35.12 N ATOM 1983 NH2 ARG A 134 10.850 9.940 7.790 1.00 73.04 N ATOM 0 H ARG A 134 4.285 11.741 4.588 1.00 53.22 H new ATOM 0 HA ARG A 134 7.097 12.188 3.822 1.00 74.00 H new ATOM 0 HB2 ARG A 134 5.596 12.692 6.162 1.00 35.34 H new ATOM 0 HB3 ARG A 134 6.582 11.296 6.552 1.00 35.34 H new ATOM 0 HG2 ARG A 134 8.374 13.004 5.256 1.00 31.31 H new ATOM 0 HG3 ARG A 134 7.368 14.100 6.183 1.00 31.31 H new ATOM 0 HD2 ARG A 134 9.147 13.491 7.642 1.00 72.14 H new ATOM 0 HD3 ARG A 134 7.754 12.588 8.204 1.00 72.14 H new ATOM 0 HE ARG A 134 8.923 10.805 6.475 1.00 63.20 H new ATOM 0 HH11 ARG A 134 10.139 12.777 9.137 1.00 35.12 H new ATOM 0 HH12 ARG A 134 11.402 11.620 9.570 1.00 35.12 H new ATOM 0 HH21 ARG A 134 10.549 9.323 7.036 1.00 73.04 H new ATOM 0 HH22 ARG A 134 11.633 9.672 8.386 1.00 73.04 H new ATOM 1994 N TYR A 135 5.694 9.353 4.749 1.00 43.21 N ATOM 1995 CA TYR A 135 5.855 7.904 4.735 1.00 13.13 C ATOM 1996 C TYR A 135 4.502 7.206 4.642 1.00 31.23 C ATOM 1997 O TYR A 135 3.529 7.625 5.271 1.00 1.33 O ATOM 1998 CB TYR A 135 6.596 7.440 5.990 1.00 74.03 C ATOM 1999 CG TYR A 135 6.258 8.245 7.225 1.00 55.32 C ATOM 2000 CD1 TYR A 135 5.020 8.120 7.843 1.00 3.04 C ATOM 2001 CD2 TYR A 135 7.177 9.133 7.772 1.00 72.32 C ATOM 2002 CE1 TYR A 135 4.707 8.854 8.971 1.00 4.03 C ATOM 2003 CE2 TYR A 135 6.872 9.870 8.900 1.00 13.52 C ATOM 2004 CZ TYR A 135 5.636 9.728 9.495 1.00 24.55 C ATOM 2005 OH TYR A 135 5.330 10.460 10.619 1.00 73.35 O ATOM 0 H TYR A 135 4.777 9.672 5.062 1.00 43.21 H new ATOM 0 HA TYR A 135 6.442 7.638 3.856 1.00 13.13 H new ATOM 0 HB2 TYR A 135 6.361 6.392 6.174 1.00 74.03 H new ATOM 0 HB3 TYR A 135 7.670 7.499 5.811 1.00 74.03 H new ATOM 0 HD1 TYR A 135 4.290 7.437 7.435 1.00 3.04 H new ATOM 0 HD2 TYR A 135 8.145 9.249 7.308 1.00 72.32 H new ATOM 0 HE1 TYR A 135 3.740 8.744 9.440 1.00 4.03 H new ATOM 0 HE2 TYR A 135 7.598 10.554 9.314 1.00 13.52 H new ATOM 0 HH TYR A 135 6.093 11.026 10.858 1.00 73.35 H new ATOM 2014 N VAL A 136 4.447 6.137 3.855 1.00 45.32 N ATOM 2015 CA VAL A 136 3.215 5.377 3.680 1.00 53.11 C ATOM 2016 C VAL A 136 3.377 3.945 4.178 1.00 42.14 C ATOM 2017 O VAL A 136 4.454 3.359 4.073 1.00 43.04 O ATOM 2018 CB VAL A 136 2.777 5.350 2.204 1.00 40.13 C ATOM 2019 CG1 VAL A 136 2.927 6.728 1.577 1.00 5.24 C ATOM 2020 CG2 VAL A 136 3.575 4.313 1.430 1.00 30.41 C ATOM 0 H VAL A 136 5.242 5.777 3.328 1.00 45.32 H new ATOM 0 HA VAL A 136 2.447 5.878 4.269 1.00 53.11 H new ATOM 0 HB VAL A 136 1.724 5.070 2.161 1.00 40.13 H new ATOM 0 HG11 VAL A 136 2.613 6.689 0.534 1.00 5.24 H new ATOM 0 HG12 VAL A 136 2.306 7.443 2.117 1.00 5.24 H new ATOM 0 HG13 VAL A 136 3.970 7.040 1.630 1.00 5.24 H new ATOM 0 HG21 VAL A 136 3.252 4.308 0.389 1.00 30.41 H new ATOM 0 HG22 VAL A 136 4.636 4.559 1.480 1.00 30.41 H new ATOM 0 HG23 VAL A 136 3.410 3.328 1.866 1.00 30.41 H new ATOM 2030 N ARG A 137 2.298 3.388 4.718 1.00 2.25 N ATOM 2031 CA ARG A 137 2.320 2.024 5.233 1.00 41.30 C ATOM 2032 C ARG A 137 1.210 1.187 4.602 1.00 35.12 C ATOM 2033 O ARG A 137 0.078 1.649 4.455 1.00 21.13 O ATOM 2034 CB ARG A 137 2.169 2.027 6.755 1.00 2.32 C ATOM 2035 CG ARG A 137 2.642 0.743 7.417 1.00 0.24 C ATOM 2036 CD ARG A 137 3.087 0.986 8.851 1.00 53.54 C ATOM 2037 NE ARG A 137 2.362 0.146 9.799 1.00 23.41 N ATOM 2038 CZ ARG A 137 1.103 0.364 10.162 1.00 3.43 C ATOM 2039 NH1 ARG A 137 0.433 1.391 9.658 1.00 12.32 N ATOM 2040 NH2 ARG A 137 0.512 -0.447 11.030 1.00 41.23 N ATOM 0 H ARG A 137 1.398 3.860 4.810 1.00 2.25 H new ATOM 0 HA ARG A 137 3.280 1.580 4.972 1.00 41.30 H new ATOM 0 HB2 ARG A 137 2.731 2.866 7.166 1.00 2.32 H new ATOM 0 HB3 ARG A 137 1.121 2.191 7.007 1.00 2.32 H new ATOM 0 HG2 ARG A 137 1.837 0.008 7.404 1.00 0.24 H new ATOM 0 HG3 ARG A 137 3.468 0.321 6.845 1.00 0.24 H new ATOM 0 HD2 ARG A 137 4.156 0.790 8.937 1.00 53.54 H new ATOM 0 HD3 ARG A 137 2.934 2.035 9.105 1.00 53.54 H new ATOM 0 HE ARG A 137 2.849 -0.653 10.205 1.00 23.41 H new ATOM 0 HH11 ARG A 137 0.884 2.016 8.990 1.00 12.32 H new ATOM 0 HH12 ARG A 137 -0.534 1.556 9.938 1.00 12.32 H new ATOM 0 HH21 ARG A 137 1.024 -1.238 11.419 1.00 41.23 H new ATOM 0 HH22 ARG A 137 -0.455 -0.279 11.308 1.00 41.23 H new ATOM 2051 N VAL A 138 1.543 -0.045 4.233 1.00 21.43 N ATOM 2052 CA VAL A 138 0.574 -0.947 3.620 1.00 3.10 C ATOM 2053 C VAL A 138 0.531 -2.286 4.350 1.00 50.50 C ATOM 2054 O VAL A 138 1.501 -2.686 4.994 1.00 14.51 O ATOM 2055 CB VAL A 138 0.899 -1.194 2.135 1.00 12.15 C ATOM 2056 CG1 VAL A 138 0.488 0.003 1.292 1.00 3.42 C ATOM 2057 CG2 VAL A 138 2.380 -1.499 1.958 1.00 61.55 C ATOM 0 H VAL A 138 2.476 -0.442 4.347 1.00 21.43 H new ATOM 0 HA VAL A 138 -0.400 -0.464 3.695 1.00 3.10 H new ATOM 0 HB VAL A 138 0.330 -2.059 1.795 1.00 12.15 H new ATOM 0 HG11 VAL A 138 0.725 -0.190 0.246 1.00 3.42 H new ATOM 0 HG12 VAL A 138 -0.584 0.170 1.396 1.00 3.42 H new ATOM 0 HG13 VAL A 138 1.028 0.888 1.629 1.00 3.42 H new ATOM 0 HG21 VAL A 138 2.592 -1.671 0.903 1.00 61.55 H new ATOM 0 HG22 VAL A 138 2.970 -0.655 2.314 1.00 61.55 H new ATOM 0 HG23 VAL A 138 2.639 -2.390 2.530 1.00 61.55 H new ATOM 2067 N LEU A 139 -0.600 -2.974 4.242 1.00 35.33 N ATOM 2068 CA LEU A 139 -0.771 -4.270 4.892 1.00 42.54 C ATOM 2069 C LEU A 139 -1.718 -5.158 4.093 1.00 45.34 C ATOM 2070 O LEU A 139 -2.871 -4.809 3.839 1.00 1.02 O ATOM 2071 CB LEU A 139 -1.305 -4.084 6.313 1.00 0.51 C ATOM 2072 CG LEU A 139 -0.388 -3.337 7.283 1.00 43.44 C ATOM 2073 CD1 LEU A 139 -0.683 -1.846 7.255 1.00 53.55 C ATOM 2074 CD2 LEU A 139 -0.542 -3.887 8.693 1.00 72.14 C ATOM 0 H LEU A 139 -1.412 -2.657 3.712 1.00 35.33 H new ATOM 0 HA LEU A 139 0.203 -4.757 4.938 1.00 42.54 H new ATOM 0 HB2 LEU A 139 -2.253 -3.549 6.256 1.00 0.51 H new ATOM 0 HB3 LEU A 139 -1.518 -5.068 6.731 1.00 0.51 H new ATOM 0 HG LEU A 139 0.644 -3.488 6.967 1.00 43.44 H new ATOM 0 HD11 LEU A 139 -0.021 -1.331 7.951 1.00 53.55 H new ATOM 0 HD12 LEU A 139 -0.520 -1.462 6.248 1.00 53.55 H new ATOM 0 HD13 LEU A 139 -1.719 -1.675 7.546 1.00 53.55 H new ATOM 0 HD21 LEU A 139 0.118 -3.344 9.370 1.00 72.14 H new ATOM 0 HD22 LEU A 139 -1.575 -3.767 9.020 1.00 72.14 H new ATOM 0 HD23 LEU A 139 -0.279 -4.945 8.702 1.00 72.14 H new ATOM 2085 N PRO A 140 -1.223 -6.337 3.687 1.00 45.10 N ATOM 2086 CA PRO A 140 -2.010 -7.302 2.912 1.00 74.02 C ATOM 2087 C PRO A 140 -3.119 -7.942 3.740 1.00 62.13 C ATOM 2088 O PRO A 140 -2.948 -8.202 4.931 1.00 44.41 O ATOM 2089 CB PRO A 140 -0.976 -8.353 2.500 1.00 14.13 C ATOM 2090 CG PRO A 140 0.090 -8.263 3.537 1.00 22.42 C ATOM 2091 CD PRO A 140 0.142 -6.819 3.953 1.00 0.33 C ATOM 0 HA PRO A 140 -2.518 -6.832 2.070 1.00 74.02 H new ATOM 0 HB2 PRO A 140 -1.415 -9.350 2.470 1.00 14.13 H new ATOM 0 HB3 PRO A 140 -0.579 -8.149 1.506 1.00 14.13 H new ATOM 0 HG2 PRO A 140 -0.137 -8.906 4.387 1.00 22.42 H new ATOM 0 HG3 PRO A 140 1.051 -8.589 3.138 1.00 22.42 H new ATOM 0 HD2 PRO A 140 0.407 -6.713 5.005 1.00 0.33 H new ATOM 0 HD3 PRO A 140 0.883 -6.262 3.380 1.00 0.33 H new ATOM 2096 N VAL A 141 -4.258 -8.193 3.101 1.00 11.42 N ATOM 2097 CA VAL A 141 -5.395 -8.805 3.777 1.00 74.41 C ATOM 2098 C VAL A 141 -5.774 -10.130 3.128 1.00 23.15 C ATOM 2099 O VAL A 141 -6.065 -11.109 3.815 1.00 21.31 O ATOM 2100 CB VAL A 141 -6.621 -7.872 3.768 1.00 62.22 C ATOM 2101 CG1 VAL A 141 -7.800 -8.533 4.467 1.00 12.52 C ATOM 2102 CG2 VAL A 141 -6.282 -6.541 4.420 1.00 52.04 C ATOM 0 H VAL A 141 -4.417 -7.982 2.116 1.00 11.42 H new ATOM 0 HA VAL A 141 -5.091 -8.984 4.808 1.00 74.41 H new ATOM 0 HB VAL A 141 -6.904 -7.681 2.733 1.00 62.22 H new ATOM 0 HG11 VAL A 141 -8.657 -7.859 4.451 1.00 12.52 H new ATOM 0 HG12 VAL A 141 -8.056 -9.459 3.951 1.00 12.52 H new ATOM 0 HG13 VAL A 141 -7.533 -8.755 5.500 1.00 12.52 H new ATOM 0 HG21 VAL A 141 -7.159 -5.894 4.405 1.00 52.04 H new ATOM 0 HG22 VAL A 141 -5.973 -6.709 5.452 1.00 52.04 H new ATOM 0 HG23 VAL A 141 -5.470 -6.064 3.872 1.00 52.04 H new ATOM 2112 N SER A 142 -5.767 -10.155 1.799 1.00 31.14 N ATOM 2113 CA SER A 142 -6.113 -11.361 1.055 1.00 23.31 C ATOM 2114 C SER A 142 -5.106 -11.618 -0.062 1.00 21.20 C ATOM 2115 O SER A 142 -5.070 -10.896 -1.058 1.00 42.53 O ATOM 2116 CB SER A 142 -7.521 -11.238 0.469 1.00 3.13 C ATOM 2117 OG SER A 142 -8.393 -10.581 1.372 1.00 32.42 O ATOM 0 H SER A 142 -5.526 -9.354 1.215 1.00 31.14 H new ATOM 0 HA SER A 142 -6.087 -12.204 1.745 1.00 23.31 H new ATOM 0 HB2 SER A 142 -7.481 -10.685 -0.470 1.00 3.13 H new ATOM 0 HB3 SER A 142 -7.910 -12.230 0.239 1.00 3.13 H new ATOM 0 HG SER A 142 -9.286 -10.513 0.974 1.00 32.42 H new ATOM 2122 N TRP A 143 -4.289 -12.651 0.112 1.00 63.44 N ATOM 2123 CA TRP A 143 -3.281 -13.005 -0.881 1.00 54.12 C ATOM 2124 C TRP A 143 -3.690 -14.255 -1.651 1.00 72.44 C ATOM 2125 O TRP A 143 -4.672 -14.913 -1.308 1.00 62.23 O ATOM 2126 CB TRP A 143 -1.926 -13.227 -0.205 1.00 61.25 C ATOM 2127 CG TRP A 143 -1.963 -14.273 0.867 1.00 1.11 C ATOM 2128 CD1 TRP A 143 -1.600 -15.584 0.745 1.00 61.03 C ATOM 2129 CD2 TRP A 143 -2.387 -14.098 2.223 1.00 54.34 C ATOM 2130 NE1 TRP A 143 -1.772 -16.233 1.944 1.00 64.22 N ATOM 2131 CE2 TRP A 143 -2.254 -15.343 2.867 1.00 11.01 C ATOM 2132 CE3 TRP A 143 -2.863 -13.008 2.958 1.00 45.24 C ATOM 2133 CZ2 TRP A 143 -2.581 -15.527 4.207 1.00 71.43 C ATOM 2134 CZ3 TRP A 143 -3.189 -13.192 4.288 1.00 44.11 C ATOM 2135 CH2 TRP A 143 -3.047 -14.444 4.901 1.00 35.04 C ATOM 0 H TRP A 143 -4.305 -13.258 0.931 1.00 63.44 H new ATOM 0 HA TRP A 143 -3.196 -12.179 -1.587 1.00 54.12 H new ATOM 0 HB2 TRP A 143 -1.194 -13.516 -0.960 1.00 61.25 H new ATOM 0 HB3 TRP A 143 -1.585 -12.286 0.227 1.00 61.25 H new ATOM 0 HD1 TRP A 143 -1.232 -16.043 -0.161 1.00 61.03 H new ATOM 0 HE1 TRP A 143 -1.573 -17.218 2.118 1.00 64.22 H new ATOM 0 HE3 TRP A 143 -2.974 -12.039 2.494 1.00 45.24 H new ATOM 0 HZ2 TRP A 143 -2.471 -16.491 4.682 1.00 71.43 H new ATOM 0 HZ3 TRP A 143 -3.559 -12.357 4.865 1.00 44.11 H new ATOM 0 HH2 TRP A 143 -3.311 -14.556 5.942 1.00 35.04 H new ATOM 2145 N HIS A 144 -2.931 -14.576 -2.693 1.00 4.13 N ATOM 2146 CA HIS A 144 -3.215 -15.750 -3.513 1.00 63.34 C ATOM 2147 C HIS A 144 -1.938 -16.532 -3.803 1.00 32.34 C ATOM 2148 O HIS A 144 -0.993 -16.002 -4.385 1.00 44.13 O ATOM 2149 CB HIS A 144 -3.881 -15.333 -4.824 1.00 43.43 C ATOM 2150 CG HIS A 144 -5.160 -16.061 -5.105 1.00 53.10 C ATOM 2151 ND1 HIS A 144 -6.402 -15.547 -4.798 1.00 13.34 N ATOM 2152 CD2 HIS A 144 -5.385 -17.271 -5.669 1.00 33.24 C ATOM 2153 CE1 HIS A 144 -7.336 -16.409 -5.160 1.00 15.45 C ATOM 2154 NE2 HIS A 144 -6.744 -17.464 -5.691 1.00 2.21 N ATOM 0 H HIS A 144 -2.115 -14.041 -2.990 1.00 4.13 H new ATOM 0 HA HIS A 144 -3.896 -16.395 -2.957 1.00 63.34 H new ATOM 0 HB2 HIS A 144 -4.081 -14.262 -4.796 1.00 43.43 H new ATOM 0 HB3 HIS A 144 -3.186 -15.506 -5.646 1.00 43.43 H new ATOM 0 HD2 HIS A 144 -4.635 -17.957 -6.034 1.00 33.24 H new ATOM 0 HE1 HIS A 144 -8.401 -16.274 -5.042 1.00 15.45 H new ATOM 0 HE2 HIS A 144 -7.220 -18.288 -6.058 1.00 2.21 H new ATOM 2161 N ASN A 145 -1.918 -17.796 -3.392 1.00 21.22 N ATOM 2162 CA ASN A 145 -0.755 -18.651 -3.607 1.00 62.34 C ATOM 2163 C ASN A 145 0.356 -18.318 -2.616 1.00 31.30 C ATOM 2164 O ASN A 145 0.779 -19.169 -1.833 1.00 12.03 O ATOM 2165 CB ASN A 145 -0.240 -18.496 -5.039 1.00 74.40 C ATOM 2166 CG ASN A 145 0.318 -19.791 -5.596 1.00 30.22 C ATOM 2167 OD1 ASN A 145 0.899 -20.594 -4.866 1.00 23.13 O ATOM 2168 ND2 ASN A 145 0.142 -20.000 -6.896 1.00 12.22 N ATOM 0 H ASN A 145 -2.693 -18.251 -2.909 1.00 21.22 H new ATOM 0 HA ASN A 145 -1.061 -19.685 -3.448 1.00 62.34 H new ATOM 0 HB2 ASN A 145 -1.051 -18.148 -5.678 1.00 74.40 H new ATOM 0 HB3 ASN A 145 0.535 -17.730 -5.063 1.00 74.40 H new ATOM 0 HD21 ASN A 145 0.495 -20.854 -7.328 1.00 12.22 H new ATOM 0 HD22 ASN A 145 -0.346 -19.306 -7.463 1.00 12.22 H new ATOM 2174 N ARG A 146 0.822 -17.074 -2.655 1.00 33.03 N ATOM 2175 CA ARG A 146 1.885 -16.628 -1.760 1.00 41.24 C ATOM 2176 C ARG A 146 2.100 -15.123 -1.881 1.00 13.21 C ATOM 2177 O ARG A 146 2.143 -14.578 -2.984 1.00 13.43 O ATOM 2178 CB ARG A 146 3.187 -17.367 -2.074 1.00 62.22 C ATOM 2179 CG ARG A 146 4.318 -17.042 -1.111 1.00 32.01 C ATOM 2180 CD ARG A 146 4.274 -17.933 0.121 1.00 11.53 C ATOM 2181 NE ARG A 146 4.428 -19.344 -0.219 1.00 25.42 N ATOM 2182 CZ ARG A 146 5.590 -19.900 -0.544 1.00 22.04 C ATOM 2183 NH1 ARG A 146 6.695 -19.167 -0.571 1.00 42.54 N ATOM 2184 NH2 ARG A 146 5.650 -21.192 -0.841 1.00 61.31 N ATOM 0 H ARG A 146 0.481 -16.357 -3.296 1.00 33.03 H new ATOM 0 HA ARG A 146 1.584 -16.854 -0.737 1.00 41.24 H new ATOM 0 HB2 ARG A 146 3.000 -18.441 -2.053 1.00 62.22 H new ATOM 0 HB3 ARG A 146 3.501 -17.118 -3.088 1.00 62.22 H new ATOM 0 HG2 ARG A 146 5.275 -17.166 -1.617 1.00 32.01 H new ATOM 0 HG3 ARG A 146 4.251 -15.997 -0.808 1.00 32.01 H new ATOM 0 HD2 ARG A 146 5.065 -17.638 0.810 1.00 11.53 H new ATOM 0 HD3 ARG A 146 3.327 -17.787 0.641 1.00 11.53 H new ATOM 0 HE ARG A 146 3.597 -19.936 -0.206 1.00 25.42 H new ATOM 0 HH11 ARG A 146 6.654 -18.174 -0.342 1.00 42.54 H new ATOM 0 HH12 ARG A 146 7.586 -19.596 -0.821 1.00 42.54 H new ATOM 0 HH21 ARG A 146 4.803 -21.760 -0.820 1.00 61.31 H new ATOM 0 HH22 ARG A 146 6.543 -21.617 -1.090 1.00 61.31 H new ATOM 2195 N ILE A 147 2.233 -14.456 -0.739 1.00 3.41 N ATOM 2196 CA ILE A 147 2.444 -13.014 -0.716 1.00 43.42 C ATOM 2197 C ILE A 147 3.728 -12.635 -1.448 1.00 43.13 C ATOM 2198 O ILE A 147 4.797 -12.549 -0.846 1.00 22.25 O ATOM 2199 CB ILE A 147 2.511 -12.477 0.726 1.00 44.22 C ATOM 2200 CG1 ILE A 147 1.209 -12.785 1.468 1.00 4.12 C ATOM 2201 CG2 ILE A 147 2.784 -10.980 0.720 1.00 71.51 C ATOM 2202 CD1 ILE A 147 1.262 -14.065 2.274 1.00 53.22 C ATOM 0 H ILE A 147 2.198 -14.892 0.183 1.00 3.41 H new ATOM 0 HA ILE A 147 1.592 -12.562 -1.223 1.00 43.42 H new ATOM 0 HB ILE A 147 3.330 -12.974 1.247 1.00 44.22 H new ATOM 0 HG12 ILE A 147 0.975 -11.955 2.134 1.00 4.12 H new ATOM 0 HG13 ILE A 147 0.396 -12.853 0.746 1.00 4.12 H new ATOM 0 HG21 ILE A 147 2.829 -10.614 1.746 1.00 71.51 H new ATOM 0 HG22 ILE A 147 3.735 -10.786 0.224 1.00 71.51 H new ATOM 0 HG23 ILE A 147 1.984 -10.466 0.186 1.00 71.51 H new ATOM 0 HD11 ILE A 147 0.306 -14.220 2.773 1.00 53.22 H new ATOM 0 HD12 ILE A 147 1.465 -14.905 1.610 1.00 53.22 H new ATOM 0 HD13 ILE A 147 2.053 -13.993 3.020 1.00 53.22 H new ATOM 2213 N THR A 148 3.613 -12.406 -2.753 1.00 63.21 N ATOM 2214 CA THR A 148 4.763 -12.036 -3.568 1.00 34.03 C ATOM 2215 C THR A 148 4.392 -10.964 -4.587 1.00 72.11 C ATOM 2216 O THR A 148 3.788 -11.257 -5.620 1.00 33.40 O ATOM 2217 CB THR A 148 5.342 -13.255 -4.310 1.00 40.32 C ATOM 2218 OG1 THR A 148 5.027 -14.457 -3.598 1.00 4.41 O ATOM 2219 CG2 THR A 148 6.851 -13.130 -4.462 1.00 71.24 C ATOM 0 H THR A 148 2.735 -12.470 -3.268 1.00 63.21 H new ATOM 0 HA THR A 148 5.518 -11.642 -2.888 1.00 34.03 H new ATOM 0 HB THR A 148 4.895 -13.294 -5.303 1.00 40.32 H new ATOM 0 HG1 THR A 148 5.799 -15.061 -3.618 1.00 4.41 H new ATOM 0 HG21 THR A 148 7.237 -14.003 -4.989 1.00 71.24 H new ATOM 0 HG22 THR A 148 7.086 -12.230 -5.030 1.00 71.24 H new ATOM 0 HG23 THR A 148 7.312 -13.068 -3.476 1.00 71.24 H new ATOM 2227 N LEU A 149 4.758 -9.722 -4.291 1.00 34.44 N ATOM 2228 CA LEU A 149 4.465 -8.605 -5.182 1.00 55.45 C ATOM 2229 C LEU A 149 5.279 -7.373 -4.797 1.00 42.35 C ATOM 2230 O LEU A 149 6.069 -7.409 -3.855 1.00 60.41 O ATOM 2231 CB LEU A 149 2.971 -8.275 -5.144 1.00 1.42 C ATOM 2232 CG LEU A 149 2.525 -7.309 -4.045 1.00 3.13 C ATOM 2233 CD1 LEU A 149 1.018 -7.108 -4.092 1.00 31.50 C ATOM 2234 CD2 LEU A 149 2.955 -7.822 -2.679 1.00 72.43 C ATOM 0 H LEU A 149 5.258 -9.463 -3.441 1.00 34.44 H new ATOM 0 HA LEU A 149 4.741 -8.898 -6.195 1.00 55.45 H new ATOM 0 HB2 LEU A 149 2.688 -7.853 -6.108 1.00 1.42 H new ATOM 0 HB3 LEU A 149 2.416 -9.206 -5.029 1.00 1.42 H new ATOM 0 HG LEU A 149 3.005 -6.345 -4.216 1.00 3.13 H new ATOM 0 HD11 LEU A 149 0.718 -6.418 -3.303 1.00 31.50 H new ATOM 0 HD12 LEU A 149 0.736 -6.696 -5.061 1.00 31.50 H new ATOM 0 HD13 LEU A 149 0.518 -8.066 -3.945 1.00 31.50 H new ATOM 0 HD21 LEU A 149 2.630 -7.123 -1.909 1.00 72.43 H new ATOM 0 HD22 LEU A 149 2.503 -8.797 -2.498 1.00 72.43 H new ATOM 0 HD23 LEU A 149 4.041 -7.914 -2.650 1.00 72.43 H new ATOM 2245 N ARG A 150 5.078 -6.285 -5.534 1.00 11.43 N ATOM 2246 CA ARG A 150 5.793 -5.042 -5.270 1.00 73.05 C ATOM 2247 C ARG A 150 4.821 -3.872 -5.144 1.00 73.01 C ATOM 2248 O ARG A 150 3.842 -3.783 -5.884 1.00 42.54 O ATOM 2249 CB ARG A 150 6.802 -4.763 -6.385 1.00 34.00 C ATOM 2250 CG ARG A 150 6.185 -4.737 -7.774 1.00 61.41 C ATOM 2251 CD ARG A 150 5.838 -3.321 -8.203 1.00 43.01 C ATOM 2252 NE ARG A 150 7.005 -2.444 -8.190 1.00 74.13 N ATOM 2253 CZ ARG A 150 7.017 -1.227 -8.724 1.00 4.43 C ATOM 2254 NH1 ARG A 150 5.930 -0.748 -9.313 1.00 73.51 N ATOM 2255 NH2 ARG A 150 8.119 -0.489 -8.672 1.00 60.35 N ATOM 0 H ARG A 150 4.427 -6.239 -6.318 1.00 11.43 H new ATOM 0 HA ARG A 150 6.326 -5.152 -4.326 1.00 73.05 H new ATOM 0 HB2 ARG A 150 7.286 -3.805 -6.194 1.00 34.00 H new ATOM 0 HB3 ARG A 150 7.581 -5.525 -6.357 1.00 34.00 H new ATOM 0 HG2 ARG A 150 6.880 -5.175 -8.490 1.00 61.41 H new ATOM 0 HG3 ARG A 150 5.285 -5.352 -7.785 1.00 61.41 H new ATOM 0 HD2 ARG A 150 5.410 -3.340 -9.205 1.00 43.01 H new ATOM 0 HD3 ARG A 150 5.074 -2.918 -7.538 1.00 43.01 H new ATOM 0 HE ARG A 150 7.858 -2.784 -7.747 1.00 74.13 H new ATOM 0 HH11 ARG A 150 5.082 -1.314 -9.357 1.00 73.51 H new ATOM 0 HH12 ARG A 150 5.941 0.186 -9.722 1.00 73.51 H new ATOM 0 HH21 ARG A 150 8.958 -0.856 -8.222 1.00 60.35 H new ATOM 0 HH22 ARG A 150 8.127 0.445 -9.082 1.00 60.35 H new ATOM 2266 N LEU A 151 5.099 -2.978 -4.201 1.00 42.12 N ATOM 2267 CA LEU A 151 4.250 -1.814 -3.977 1.00 71.25 C ATOM 2268 C LEU A 151 5.008 -0.522 -4.267 1.00 44.30 C ATOM 2269 O LEU A 151 5.985 -0.201 -3.593 1.00 20.14 O ATOM 2270 CB LEU A 151 3.734 -1.804 -2.536 1.00 52.34 C ATOM 2271 CG LEU A 151 2.352 -1.183 -2.322 1.00 3.33 C ATOM 2272 CD1 LEU A 151 2.325 0.248 -2.835 1.00 43.25 C ATOM 2273 CD2 LEU A 151 1.281 -2.019 -3.008 1.00 20.12 C ATOM 0 H LEU A 151 5.906 -3.037 -3.580 1.00 42.12 H new ATOM 0 HA LEU A 151 3.403 -1.877 -4.660 1.00 71.25 H new ATOM 0 HB2 LEU A 151 3.709 -2.832 -2.173 1.00 52.34 H new ATOM 0 HB3 LEU A 151 4.452 -1.265 -1.918 1.00 52.34 H new ATOM 0 HG LEU A 151 2.143 -1.167 -1.252 1.00 3.33 H new ATOM 0 HD11 LEU A 151 1.334 0.673 -2.674 1.00 43.25 H new ATOM 0 HD12 LEU A 151 3.066 0.841 -2.299 1.00 43.25 H new ATOM 0 HD13 LEU A 151 2.555 0.257 -3.900 1.00 43.25 H new ATOM 0 HD21 LEU A 151 0.304 -1.563 -2.846 1.00 20.12 H new ATOM 0 HD22 LEU A 151 1.486 -2.067 -4.077 1.00 20.12 H new ATOM 0 HD23 LEU A 151 1.285 -3.027 -2.593 1.00 20.12 H new ATOM 2284 N GLU A 152 4.548 0.214 -5.274 1.00 54.10 N ATOM 2285 CA GLU A 152 5.183 1.471 -5.652 1.00 31.40 C ATOM 2286 C GLU A 152 4.183 2.623 -5.602 1.00 31.52 C ATOM 2287 O GLU A 152 3.010 2.457 -5.939 1.00 4.11 O ATOM 2288 CB GLU A 152 5.783 1.364 -7.056 1.00 22.35 C ATOM 2289 CG GLU A 152 6.257 2.693 -7.618 1.00 41.41 C ATOM 2290 CD GLU A 152 6.830 2.564 -9.017 1.00 71.22 C ATOM 2291 OE1 GLU A 152 6.035 2.470 -9.976 1.00 55.52 O ATOM 2292 OE2 GLU A 152 8.070 2.555 -9.151 1.00 15.14 O ATOM 0 H GLU A 152 3.739 -0.038 -5.842 1.00 54.10 H new ATOM 0 HA GLU A 152 5.981 1.673 -4.938 1.00 31.40 H new ATOM 0 HB2 GLU A 152 6.623 0.669 -7.031 1.00 22.35 H new ATOM 0 HB3 GLU A 152 5.038 0.940 -7.729 1.00 22.35 H new ATOM 0 HG2 GLU A 152 5.423 3.395 -7.634 1.00 41.41 H new ATOM 0 HG3 GLU A 152 7.014 3.114 -6.957 1.00 41.41 H new ATOM 2297 N LEU A 153 4.655 3.789 -5.177 1.00 54.13 N ATOM 2298 CA LEU A 153 3.803 4.970 -5.081 1.00 61.33 C ATOM 2299 C LEU A 153 4.193 6.010 -6.128 1.00 64.51 C ATOM 2300 O LEU A 153 5.376 6.252 -6.367 1.00 33.24 O ATOM 2301 CB LEU A 153 3.898 5.579 -3.681 1.00 61.42 C ATOM 2302 CG LEU A 153 5.274 6.099 -3.267 1.00 11.43 C ATOM 2303 CD1 LEU A 153 5.355 7.606 -3.458 1.00 33.22 C ATOM 2304 CD2 LEU A 153 5.573 5.726 -1.823 1.00 34.35 C ATOM 0 H LEU A 153 5.623 3.943 -4.893 1.00 54.13 H new ATOM 0 HA LEU A 153 2.774 4.662 -5.268 1.00 61.33 H new ATOM 0 HB2 LEU A 153 3.186 6.402 -3.616 1.00 61.42 H new ATOM 0 HB3 LEU A 153 3.583 4.827 -2.957 1.00 61.42 H new ATOM 0 HG LEU A 153 6.024 5.632 -3.905 1.00 11.43 H new ATOM 0 HD11 LEU A 153 6.342 7.958 -3.158 1.00 33.22 H new ATOM 0 HD12 LEU A 153 5.186 7.849 -4.507 1.00 33.22 H new ATOM 0 HD13 LEU A 153 4.595 8.092 -2.846 1.00 33.22 H new ATOM 0 HD21 LEU A 153 6.557 6.104 -1.546 1.00 34.35 H new ATOM 0 HD22 LEU A 153 4.818 6.165 -1.170 1.00 34.35 H new ATOM 0 HD23 LEU A 153 5.558 4.641 -1.717 1.00 34.35 H new ATOM 2315 N LEU A 154 3.190 6.622 -6.748 1.00 33.33 N ATOM 2316 CA LEU A 154 3.427 7.638 -7.767 1.00 11.52 C ATOM 2317 C LEU A 154 2.882 8.992 -7.324 1.00 64.52 C ATOM 2318 O LEU A 154 1.900 9.065 -6.587 1.00 54.12 O ATOM 2319 CB LEU A 154 2.779 7.222 -9.090 1.00 32.34 C ATOM 2320 CG LEU A 154 2.846 5.733 -9.430 1.00 72.14 C ATOM 2321 CD1 LEU A 154 1.473 5.093 -9.298 1.00 52.34 C ATOM 2322 CD2 LEU A 154 3.398 5.531 -10.834 1.00 75.11 C ATOM 0 H LEU A 154 2.205 6.432 -6.563 1.00 33.33 H new ATOM 0 HA LEU A 154 4.504 7.730 -7.910 1.00 11.52 H new ATOM 0 HB2 LEU A 154 1.732 7.523 -9.069 1.00 32.34 H new ATOM 0 HB3 LEU A 154 3.255 7.780 -9.896 1.00 32.34 H new ATOM 0 HG LEU A 154 3.519 5.248 -8.723 1.00 72.14 H new ATOM 0 HD11 LEU A 154 1.540 4.033 -9.544 1.00 52.34 H new ATOM 0 HD12 LEU A 154 1.116 5.206 -8.274 1.00 52.34 H new ATOM 0 HD13 LEU A 154 0.777 5.580 -9.981 1.00 52.34 H new ATOM 0 HD21 LEU A 154 3.439 4.465 -11.059 1.00 75.11 H new ATOM 0 HD22 LEU A 154 2.750 6.030 -11.555 1.00 75.11 H new ATOM 0 HD23 LEU A 154 4.401 5.953 -10.895 1.00 75.11 H new ATOM 2333 N GLY A 155 3.525 10.062 -7.781 1.00 3.55 N ATOM 2334 CA GLY A 155 3.090 11.399 -7.424 1.00 30.22 C ATOM 2335 C GLY A 155 2.913 12.294 -8.634 1.00 71.03 C ATOM 2336 O GLY A 155 3.169 11.880 -9.764 1.00 1.41 O ATOM 0 H GLY A 155 4.340 10.026 -8.393 1.00 3.55 H new ATOM 0 HA2 GLY A 155 2.147 11.338 -6.880 1.00 30.22 H new ATOM 0 HA3 GLY A 155 3.819 11.847 -6.749 1.00 30.22 H new ATOM 2340 N CYS A 156 2.472 13.525 -8.398 1.00 73.12 N ATOM 2341 CA CYS A 156 2.259 14.482 -9.477 1.00 24.41 C ATOM 2342 C CYS A 156 3.576 15.122 -9.905 1.00 5.21 C ATOM 2343 O CYS A 156 3.726 15.552 -11.050 1.00 33.23 O ATOM 2344 CB CYS A 156 1.271 15.565 -9.038 1.00 63.12 C ATOM 2345 SG CYS A 156 0.296 16.279 -10.401 1.00 22.00 S ATOM 0 H CYS A 156 2.255 13.883 -7.468 1.00 73.12 H new ATOM 0 HA CYS A 156 1.844 13.944 -10.329 1.00 24.41 H new ATOM 0 HB2 CYS A 156 0.589 15.142 -8.300 1.00 63.12 H new ATOM 0 HB3 CYS A 156 1.821 16.364 -8.542 1.00 63.12 H new ATOM 2349 N LEU A 157 4.527 15.181 -8.979 1.00 51.02 N ATOM 2350 CA LEU A 157 5.832 15.768 -9.260 1.00 61.00 C ATOM 2351 C LEU A 157 5.684 17.154 -9.880 1.00 5.44 C ATOM 2352 O LEU A 157 6.490 17.556 -10.719 1.00 73.05 O ATOM 2353 CB LEU A 157 6.631 14.859 -10.197 1.00 75.35 C ATOM 2354 CG LEU A 157 8.118 14.708 -9.878 1.00 33.04 C ATOM 2355 CD1 LEU A 157 8.775 16.073 -9.736 1.00 13.45 C ATOM 2356 CD2 LEU A 157 8.312 13.887 -8.611 1.00 22.20 C ATOM 0 H LEU A 157 4.419 14.830 -8.028 1.00 51.02 H new ATOM 0 HA LEU A 157 6.369 15.868 -8.317 1.00 61.00 H new ATOM 0 HB2 LEU A 157 6.175 13.869 -10.186 1.00 75.35 H new ATOM 0 HB3 LEU A 157 6.535 15.243 -11.213 1.00 75.35 H new ATOM 0 HG LEU A 157 8.595 14.182 -10.705 1.00 33.04 H new ATOM 0 HD11 LEU A 157 9.833 15.945 -9.509 1.00 13.45 H new ATOM 0 HD12 LEU A 157 8.668 16.627 -10.669 1.00 13.45 H new ATOM 0 HD13 LEU A 157 8.295 16.626 -8.929 1.00 13.45 H new ATOM 0 HD21 LEU A 157 9.377 13.790 -8.400 1.00 22.20 H new ATOM 0 HD22 LEU A 157 7.820 14.385 -7.776 1.00 22.20 H new ATOM 0 HD23 LEU A 157 7.878 12.897 -8.749 1.00 22.20 H new ATOM 2367 N GLU A 158 4.651 17.877 -9.461 1.00 20.13 N ATOM 2368 CA GLU A 158 4.400 19.218 -9.975 1.00 21.31 C ATOM 2369 C GLU A 158 4.090 20.187 -8.838 1.00 71.05 C ATOM 2370 O GLU A 158 4.975 20.884 -8.344 1.00 51.45 O ATOM 2371 CB GLU A 158 3.240 19.196 -10.973 1.00 34.12 C ATOM 2372 CG GLU A 158 3.161 20.441 -11.841 1.00 64.44 C ATOM 2373 CD GLU A 158 1.922 20.465 -12.715 1.00 41.01 C ATOM 2374 OE1 GLU A 158 1.735 19.515 -13.504 1.00 42.42 O ATOM 2375 OE2 GLU A 158 1.139 21.432 -12.610 1.00 71.21 O ATOM 0 H GLU A 158 3.975 17.557 -8.768 1.00 20.13 H new ATOM 0 HA GLU A 158 5.301 19.560 -10.484 1.00 21.31 H new ATOM 0 HB2 GLU A 158 3.341 18.321 -11.615 1.00 34.12 H new ATOM 0 HB3 GLU A 158 2.304 19.084 -10.427 1.00 34.12 H new ATOM 0 HG2 GLU A 158 3.168 21.325 -11.203 1.00 64.44 H new ATOM 0 HG3 GLU A 158 4.048 20.496 -12.473 1.00 64.44 H new