USER MOD reduce.3.24.130724 H: found=0, std=0, add=1314, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1308 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 169 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 174 ASN : amide:sc= 0 X(o=0,f=0.07) USER MOD Set 2.1: A 173 HIS : no HE2:sc= 0.472 K(o=-0.34,f=-7.3!) USER MOD Set 2.2: A 175 CYS SG : rot 50:sc= -0.812! USER MOD Set 3.1: A 124 TYR OH : rot -161:sc= 0.88 USER MOD Set 3.2: A 128 TYR OH : rot 37:sc= 0.408 USER MOD Set 3.3: A 168 HIS : no HD1:sc= -0.284 K(o=1,f=-9.9!) USER MOD Set 4.1: A 95 SER OG : rot -38:sc= 0.184 USER MOD Set 4.2: A 101 HIS : no HD1:sc= -0.542 X(o=-0.36,f=-0.075) USER MOD Set 5.1: A 87 LYS NZ :NH3+ -166:sc= 1.7 (180deg=0.975) USER MOD Set 5.2: A 103 THR OG1 : rot 180:sc= 0.806 USER MOD Set 6.1: A 12 GLN : amide:sc= 0.673 K(o=1.3,f=-4.8) USER MOD Set 6.2: A 91 SER OG : rot -93:sc= 0.601 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -140:sc= -0.128 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00143 USER MOD Single : A 29 SER OG : rot -131:sc= 1.22 USER MOD Single : A 32 SER OG : rot 95:sc= 0.00737 USER MOD Single : A 33 HIS : no HD1:sc= -1.96! C(o=-2!,f=-3.4!) USER MOD Single : A 36 GLN : amide:sc= 0.981 K(o=0.98,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00291 USER MOD Single : A 43 CYS SG : rot -122:sc= -1.13 USER MOD Single : A 46 MET CE :methyl 154:sc= -1.57 (180deg=-3.39!) USER MOD Single : A 50 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 51 THR OG1 : rot 76:sc= 0.0579 USER MOD Single : A 52 LYS NZ :NH3+ 167:sc= -0.0347 (180deg=-0.215) USER MOD Single : A 54 SER OG : rot -135:sc= 0.879 USER MOD Single : A 61 THR OG1 : rot -179:sc= -0.663 USER MOD Single : A 62 TYR OH : rot -139:sc= 0.651 USER MOD Single : A 64 THR OG1 : rot 84:sc= 1.05 USER MOD Single : A 72 MET CE :methyl 149:sc= -1.3 (180deg=-4.12!) USER MOD Single : A 73 ASN :FLIP amide:sc= -0.0187 F(o=-1.6!,f=-0.019) USER MOD Single : A 77 HIS : no HD1:sc= 0.362 K(o=0.36,f=-4!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN :FLIP amide:sc=-0.00729 F(o=-1,f=-0.0073) USER MOD Single : A 105 LYS NZ :NH3+ 166:sc= 0.555 (180deg=0.433) USER MOD Single : A 106 LYS NZ :NH3+ 176:sc= 0.883 (180deg=0.865) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -140:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= 0.17 K(o=0.17,f=-1.2) USER MOD Single : A 120 HIS : no HD1:sc= 0.838 K(o=0.84,f=-3.4!) USER MOD Single : A 127 GLN :FLIP amide:sc= -0.645 F(o=-1.8!,f=-0.65) USER MOD Single : A 130 LYS NZ :NH3+ -166:sc= 1.15 (180deg=0.904) USER MOD Single : A 137 MET CE :methyl -169:sc= -0.0221 (180deg=-0.232) USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 156 HIS : no HE2:sc= -2.99 K(o=-3,f=-3.5) USER MOD Single : A 158 SER OG : rot 150:sc= -0.904 USER MOD Single : A 161 LYS NZ :NH3+ -150:sc= 1.82 (180deg=0.553) USER MOD Single : A 165 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 166 LYS NZ :NH3+ 146:sc= -2.34 (180deg=-3.55!) USER MOD Single : A 167 TYR OH : rot -114:sc= 0.93 USER MOD Single : A 171 ASN : amide:sc=-0.00797 X(o=-0.008,f=0) USER MOD Single : A 179 LYS NZ :NH3+ 147:sc= 1.6 (180deg=-1.78!) USER MOD ----------------------------------------------------------------- ATOM 92 N LYS A 8 -15.711 7.843 5.590 1.00 4.44 N ATOM 93 CA LYS A 8 -15.941 8.343 4.241 1.00 32.24 C ATOM 94 C LYS A 8 -15.121 7.526 3.263 1.00 54.24 C ATOM 95 O LYS A 8 -15.288 7.615 2.046 1.00 64.41 O ATOM 96 CB LYS A 8 -15.533 9.821 4.114 1.00 22.25 C ATOM 97 CG LYS A 8 -15.952 10.711 5.278 1.00 63.32 C ATOM 98 CD LYS A 8 -14.912 10.718 6.388 1.00 1.25 C ATOM 99 CE LYS A 8 -15.215 11.774 7.432 1.00 24.11 C ATOM 100 NZ LYS A 8 -14.250 11.723 8.559 1.00 51.42 N ATOM 0 HA LYS A 8 -17.005 8.257 4.022 1.00 32.24 H new ATOM 0 HB2 LYS A 8 -14.449 9.875 4.008 1.00 22.25 H new ATOM 0 HB3 LYS A 8 -15.963 10.223 3.197 1.00 22.25 H new ATOM 0 HG2 LYS A 8 -16.108 11.729 4.920 1.00 63.32 H new ATOM 0 HG3 LYS A 8 -16.906 10.364 5.676 1.00 63.32 H new ATOM 0 HD2 LYS A 8 -14.878 9.737 6.862 1.00 1.25 H new ATOM 0 HD3 LYS A 8 -13.926 10.900 5.962 1.00 1.25 H new ATOM 0 HE2 LYS A 8 -15.185 12.761 6.971 1.00 24.11 H new ATOM 0 HE3 LYS A 8 -16.227 11.631 7.812 1.00 24.11 H new ATOM 0 HZ1 LYS A 8 -14.488 12.459 9.254 1.00 51.42 H new ATOM 0 HZ2 LYS A 8 -14.297 10.789 9.014 1.00 51.42 H new ATOM 0 HZ3 LYS A 8 -13.288 11.885 8.200 1.00 51.42 H new ATOM 114 N GLU A 9 -14.237 6.721 3.817 1.00 62.33 N ATOM 115 CA GLU A 9 -13.274 5.981 3.038 1.00 1.14 C ATOM 116 C GLU A 9 -13.806 4.594 2.703 1.00 65.32 C ATOM 117 O GLU A 9 -14.307 3.890 3.581 1.00 45.53 O ATOM 118 CB GLU A 9 -11.950 5.867 3.802 1.00 33.10 C ATOM 119 CG GLU A 9 -11.273 7.206 4.073 1.00 1.35 C ATOM 120 CD GLU A 9 -11.953 8.017 5.165 1.00 51.10 C ATOM 121 OE1 GLU A 9 -12.443 7.419 6.146 1.00 14.54 O ATOM 122 OE2 GLU A 9 -12.006 9.256 5.040 1.00 44.45 O ATOM 0 H GLU A 9 -14.169 6.564 4.822 1.00 62.33 H new ATOM 0 HA GLU A 9 -13.100 6.519 2.106 1.00 1.14 H new ATOM 0 HB2 GLU A 9 -12.133 5.365 4.752 1.00 33.10 H new ATOM 0 HB3 GLU A 9 -11.268 5.235 3.234 1.00 33.10 H new ATOM 0 HG2 GLU A 9 -10.235 7.029 4.355 1.00 1.35 H new ATOM 0 HG3 GLU A 9 -11.258 7.790 3.153 1.00 1.35 H new ATOM 129 N PRO A 10 -13.714 4.199 1.421 1.00 31.31 N ATOM 130 CA PRO A 10 -14.128 2.869 0.961 1.00 11.11 C ATOM 131 C PRO A 10 -13.344 1.757 1.649 1.00 34.03 C ATOM 132 O PRO A 10 -12.325 2.019 2.296 1.00 21.42 O ATOM 133 CB PRO A 10 -13.824 2.884 -0.542 1.00 44.02 C ATOM 134 CG PRO A 10 -12.893 4.023 -0.756 1.00 61.13 C ATOM 135 CD PRO A 10 -13.203 5.027 0.314 1.00 61.25 C ATOM 0 HA PRO A 10 -15.176 2.672 1.188 1.00 11.11 H new ATOM 0 HB2 PRO A 10 -13.371 1.944 -0.859 1.00 44.02 H new ATOM 0 HB3 PRO A 10 -14.737 3.010 -1.124 1.00 44.02 H new ATOM 0 HG2 PRO A 10 -11.856 3.694 -0.692 1.00 61.13 H new ATOM 0 HG3 PRO A 10 -13.030 4.456 -1.747 1.00 61.13 H new ATOM 0 HD2 PRO A 10 -12.316 5.588 0.608 1.00 61.25 H new ATOM 0 HD3 PRO A 10 -13.944 5.754 -0.019 1.00 61.25 H new ATOM 143 N GLU A 11 -13.814 0.522 1.500 1.00 2.53 N ATOM 144 CA GLU A 11 -13.202 -0.624 2.168 1.00 2.03 C ATOM 145 C GLU A 11 -11.716 -0.741 1.831 1.00 1.33 C ATOM 146 O GLU A 11 -10.909 -1.030 2.697 1.00 1.44 O ATOM 147 CB GLU A 11 -13.930 -1.925 1.806 1.00 3.04 C ATOM 148 CG GLU A 11 -13.971 -2.222 0.318 1.00 22.14 C ATOM 149 CD GLU A 11 -14.608 -3.554 0.006 1.00 42.14 C ATOM 150 OE1 GLU A 11 -15.841 -3.602 -0.150 1.00 61.12 O ATOM 151 OE2 GLU A 11 -13.876 -4.561 -0.089 1.00 54.02 O ATOM 0 H GLU A 11 -14.620 0.288 0.920 1.00 2.53 H new ATOM 0 HA GLU A 11 -13.295 -0.459 3.242 1.00 2.03 H new ATOM 0 HB2 GLU A 11 -13.443 -2.755 2.317 1.00 3.04 H new ATOM 0 HB3 GLU A 11 -14.951 -1.874 2.183 1.00 3.04 H new ATOM 0 HG2 GLU A 11 -14.523 -1.432 -0.191 1.00 22.14 H new ATOM 0 HG3 GLU A 11 -12.956 -2.208 -0.079 1.00 22.14 H new ATOM 158 N GLN A 12 -11.359 -0.470 0.579 1.00 1.02 N ATOM 159 CA GLN A 12 -9.969 -0.579 0.133 1.00 24.33 C ATOM 160 C GLN A 12 -9.084 0.498 0.772 1.00 73.24 C ATOM 161 O GLN A 12 -7.873 0.327 0.895 1.00 22.12 O ATOM 162 CB GLN A 12 -9.898 -0.494 -1.396 1.00 54.45 C ATOM 163 CG GLN A 12 -10.173 0.891 -1.965 1.00 4.33 C ATOM 164 CD GLN A 12 -10.501 0.857 -3.446 1.00 10.12 C ATOM 165 OE1 GLN A 12 -9.614 0.925 -4.290 1.00 24.41 O ATOM 166 NE2 GLN A 12 -11.776 0.752 -3.774 1.00 40.15 N ATOM 0 H GLN A 12 -12.011 -0.173 -0.147 1.00 1.02 H new ATOM 0 HA GLN A 12 -9.589 -1.549 0.455 1.00 24.33 H new ATOM 0 HB2 GLN A 12 -8.908 -0.816 -1.720 1.00 54.45 H new ATOM 0 HB3 GLN A 12 -10.616 -1.196 -1.820 1.00 54.45 H new ATOM 0 HG2 GLN A 12 -11.003 1.345 -1.423 1.00 4.33 H new ATOM 0 HG3 GLN A 12 -9.302 1.526 -1.804 1.00 4.33 H new ATOM 0 HE21 GLN A 12 -12.487 0.698 -3.045 1.00 40.15 H new ATOM 0 HE22 GLN A 12 -12.049 0.725 -4.756 1.00 40.15 H new ATOM 175 N LEU A 13 -9.701 1.591 1.208 1.00 73.34 N ATOM 176 CA LEU A 13 -8.961 2.703 1.785 1.00 12.42 C ATOM 177 C LEU A 13 -8.841 2.568 3.299 1.00 14.30 C ATOM 178 O LEU A 13 -8.152 3.357 3.939 1.00 71.04 O ATOM 179 CB LEU A 13 -9.623 4.039 1.436 1.00 73.13 C ATOM 180 CG LEU A 13 -8.928 4.856 0.343 1.00 43.42 C ATOM 181 CD1 LEU A 13 -8.905 4.098 -0.968 1.00 73.11 C ATOM 182 CD2 LEU A 13 -9.625 6.189 0.157 1.00 74.30 C ATOM 0 H LEU A 13 -10.711 1.729 1.172 1.00 73.34 H new ATOM 0 HA LEU A 13 -7.959 2.680 1.357 1.00 12.42 H new ATOM 0 HB2 LEU A 13 -10.649 3.845 1.123 1.00 73.13 H new ATOM 0 HB3 LEU A 13 -9.675 4.645 2.340 1.00 73.13 H new ATOM 0 HG LEU A 13 -7.899 5.033 0.657 1.00 43.42 H new ATOM 0 HD11 LEU A 13 -8.406 4.700 -1.728 1.00 73.11 H new ATOM 0 HD12 LEU A 13 -8.366 3.160 -0.836 1.00 73.11 H new ATOM 0 HD13 LEU A 13 -9.927 3.888 -1.285 1.00 73.11 H new ATOM 0 HD21 LEU A 13 -9.119 6.758 -0.623 1.00 74.30 H new ATOM 0 HD22 LEU A 13 -10.662 6.020 -0.132 1.00 74.30 H new ATOM 0 HD23 LEU A 13 -9.595 6.749 1.092 1.00 74.30 H new ATOM 194 N ARG A 14 -9.518 1.586 3.878 1.00 60.34 N ATOM 195 CA ARG A 14 -9.391 1.347 5.309 1.00 53.44 C ATOM 196 C ARG A 14 -9.060 -0.113 5.622 1.00 2.15 C ATOM 197 O ARG A 14 -8.965 -0.499 6.786 1.00 71.14 O ATOM 198 CB ARG A 14 -10.650 1.799 6.060 1.00 71.43 C ATOM 199 CG ARG A 14 -11.952 1.206 5.545 1.00 22.33 C ATOM 200 CD ARG A 14 -13.141 1.818 6.267 1.00 52.33 C ATOM 201 NE ARG A 14 -14.418 1.229 5.860 1.00 3.50 N ATOM 202 CZ ARG A 14 -15.477 1.120 6.664 1.00 24.35 C ATOM 203 NH1 ARG A 14 -15.419 1.557 7.917 1.00 62.34 N ATOM 204 NH2 ARG A 14 -16.598 0.575 6.212 1.00 70.01 N ATOM 0 H ARG A 14 -10.150 0.952 3.389 1.00 60.34 H new ATOM 0 HA ARG A 14 -8.552 1.949 5.659 1.00 53.44 H new ATOM 0 HB2 ARG A 14 -10.540 1.538 7.113 1.00 71.43 H new ATOM 0 HB3 ARG A 14 -10.717 2.886 6.006 1.00 71.43 H new ATOM 0 HG2 ARG A 14 -12.040 1.383 4.473 1.00 22.33 H new ATOM 0 HG3 ARG A 14 -11.948 0.126 5.690 1.00 22.33 H new ATOM 0 HD2 ARG A 14 -13.013 1.689 7.342 1.00 52.33 H new ATOM 0 HD3 ARG A 14 -13.164 2.891 6.075 1.00 52.33 H new ATOM 0 HE ARG A 14 -14.503 0.881 4.905 1.00 3.50 H new ATOM 0 HH11 ARG A 14 -14.561 1.979 8.271 1.00 62.34 H new ATOM 0 HH12 ARG A 14 -16.233 1.470 8.526 1.00 62.34 H new ATOM 0 HH21 ARG A 14 -16.650 0.239 5.250 1.00 70.01 H new ATOM 0 HH22 ARG A 14 -17.408 0.491 6.826 1.00 70.01 H new ATOM 218 N LYS A 15 -8.908 -0.930 4.591 1.00 42.55 N ATOM 219 CA LYS A 15 -8.483 -2.308 4.782 1.00 35.55 C ATOM 220 C LYS A 15 -6.981 -2.473 4.558 1.00 25.25 C ATOM 221 O LYS A 15 -6.377 -1.812 3.707 1.00 63.33 O ATOM 222 CB LYS A 15 -9.269 -3.241 3.850 1.00 2.15 C ATOM 223 CG LYS A 15 -8.974 -4.722 4.044 1.00 0.24 C ATOM 224 CD LYS A 15 -9.950 -5.599 3.274 1.00 31.34 C ATOM 225 CE LYS A 15 -9.908 -5.330 1.779 1.00 21.35 C ATOM 226 NZ LYS A 15 -10.784 -6.263 1.026 1.00 31.30 N ATOM 0 H LYS A 15 -9.071 -0.665 3.620 1.00 42.55 H new ATOM 0 HA LYS A 15 -8.692 -2.579 5.817 1.00 35.55 H new ATOM 0 HB2 LYS A 15 -10.335 -3.073 4.003 1.00 2.15 H new ATOM 0 HB3 LYS A 15 -9.049 -2.972 2.817 1.00 2.15 H new ATOM 0 HG2 LYS A 15 -7.957 -4.936 3.716 1.00 0.24 H new ATOM 0 HG3 LYS A 15 -9.025 -4.967 5.105 1.00 0.24 H new ATOM 0 HD2 LYS A 15 -9.717 -6.648 3.459 1.00 31.34 H new ATOM 0 HD3 LYS A 15 -10.961 -5.426 3.644 1.00 31.34 H new ATOM 0 HE2 LYS A 15 -10.219 -4.303 1.586 1.00 21.35 H new ATOM 0 HE3 LYS A 15 -8.883 -5.425 1.421 1.00 21.35 H new ATOM 0 HZ1 LYS A 15 -10.728 -6.048 0.010 1.00 31.30 H new ATOM 0 HZ2 LYS A 15 -10.472 -7.241 1.190 1.00 31.30 H new ATOM 0 HZ3 LYS A 15 -11.766 -6.154 1.350 1.00 31.30 H new ATOM 240 N LEU A 16 -6.404 -3.369 5.339 1.00 45.12 N ATOM 241 CA LEU A 16 -4.997 -3.708 5.240 1.00 42.21 C ATOM 242 C LEU A 16 -4.821 -5.155 4.802 1.00 10.53 C ATOM 243 O LEU A 16 -5.617 -6.023 5.152 1.00 4.23 O ATOM 244 CB LEU A 16 -4.286 -3.490 6.579 1.00 12.23 C ATOM 245 CG LEU A 16 -4.153 -2.037 7.026 1.00 62.01 C ATOM 246 CD1 LEU A 16 -3.334 -1.944 8.304 1.00 74.22 C ATOM 247 CD2 LEU A 16 -3.533 -1.194 5.926 1.00 63.10 C ATOM 0 H LEU A 16 -6.903 -3.885 6.064 1.00 45.12 H new ATOM 0 HA LEU A 16 -4.552 -3.052 4.492 1.00 42.21 H new ATOM 0 HB2 LEU A 16 -4.825 -4.041 7.350 1.00 12.23 H new ATOM 0 HB3 LEU A 16 -3.288 -3.925 6.515 1.00 12.23 H new ATOM 0 HG LEU A 16 -5.150 -1.648 7.231 1.00 62.01 H new ATOM 0 HD11 LEU A 16 -3.250 -0.900 8.607 1.00 74.22 H new ATOM 0 HD12 LEU A 16 -3.825 -2.513 9.093 1.00 74.22 H new ATOM 0 HD13 LEU A 16 -2.339 -2.352 8.129 1.00 74.22 H new ATOM 0 HD21 LEU A 16 -3.447 -0.161 6.264 1.00 63.10 H new ATOM 0 HD22 LEU A 16 -2.543 -1.581 5.685 1.00 63.10 H new ATOM 0 HD23 LEU A 16 -4.164 -1.234 5.038 1.00 63.10 H new ATOM 259 N PHE A 17 -3.776 -5.391 4.034 1.00 11.01 N ATOM 260 CA PHE A 17 -3.379 -6.725 3.625 1.00 5.23 C ATOM 261 C PHE A 17 -2.255 -7.194 4.533 1.00 64.31 C ATOM 262 O PHE A 17 -1.227 -6.537 4.644 1.00 34.35 O ATOM 263 CB PHE A 17 -2.913 -6.711 2.159 1.00 22.32 C ATOM 264 CG PHE A 17 -2.075 -7.901 1.766 1.00 31.32 C ATOM 265 CD1 PHE A 17 -2.663 -9.130 1.517 1.00 33.11 C ATOM 266 CD2 PHE A 17 -0.697 -7.783 1.646 1.00 33.53 C ATOM 267 CE1 PHE A 17 -1.892 -10.218 1.154 1.00 40.53 C ATOM 268 CE2 PHE A 17 0.077 -8.867 1.285 1.00 75.34 C ATOM 269 CZ PHE A 17 -0.521 -10.087 1.040 1.00 11.23 C ATOM 0 H PHE A 17 -3.171 -4.654 3.672 1.00 11.01 H new ATOM 0 HA PHE A 17 -4.225 -7.407 3.706 1.00 5.23 H new ATOM 0 HB2 PHE A 17 -3.789 -6.668 1.511 1.00 22.32 H new ATOM 0 HB3 PHE A 17 -2.339 -5.802 1.980 1.00 22.32 H new ATOM 0 HD1 PHE A 17 -3.734 -9.239 1.607 1.00 33.11 H new ATOM 0 HD2 PHE A 17 -0.225 -6.831 1.838 1.00 33.53 H new ATOM 0 HE1 PHE A 17 -2.361 -11.171 0.959 1.00 40.53 H new ATOM 0 HE2 PHE A 17 1.148 -8.761 1.194 1.00 75.34 H new ATOM 0 HZ PHE A 17 0.082 -10.938 0.760 1.00 11.23 H new ATOM 279 N ILE A 18 -2.450 -8.310 5.192 1.00 61.12 N ATOM 280 CA ILE A 18 -1.445 -8.822 6.099 1.00 65.41 C ATOM 281 C ILE A 18 -0.685 -9.961 5.443 1.00 71.11 C ATOM 282 O ILE A 18 -1.242 -11.028 5.204 1.00 22.43 O ATOM 283 CB ILE A 18 -2.059 -9.319 7.422 1.00 34.05 C ATOM 284 CG1 ILE A 18 -3.109 -8.332 7.948 1.00 54.42 C ATOM 285 CG2 ILE A 18 -0.959 -9.523 8.452 1.00 30.31 C ATOM 286 CD1 ILE A 18 -2.566 -6.945 8.219 1.00 31.43 C ATOM 0 H ILE A 18 -3.292 -8.882 5.120 1.00 61.12 H new ATOM 0 HA ILE A 18 -0.767 -7.999 6.328 1.00 65.41 H new ATOM 0 HB ILE A 18 -2.559 -10.270 7.237 1.00 34.05 H new ATOM 0 HG12 ILE A 18 -3.920 -8.259 7.223 1.00 54.42 H new ATOM 0 HG13 ILE A 18 -3.538 -8.729 8.868 1.00 54.42 H new ATOM 0 HG21 ILE A 18 -1.396 -9.874 9.387 1.00 30.31 H new ATOM 0 HG22 ILE A 18 -0.248 -10.262 8.083 1.00 30.31 H new ATOM 0 HG23 ILE A 18 -0.443 -8.579 8.625 1.00 30.31 H new ATOM 0 HD11 ILE A 18 -3.368 -6.306 8.588 1.00 31.43 H new ATOM 0 HD12 ILE A 18 -1.775 -7.004 8.967 1.00 31.43 H new ATOM 0 HD13 ILE A 18 -2.163 -6.526 7.297 1.00 31.43 H new ATOM 298 N GLY A 19 0.582 -9.728 5.151 1.00 34.03 N ATOM 299 CA GLY A 19 1.391 -10.740 4.515 1.00 70.12 C ATOM 300 C GLY A 19 2.336 -11.399 5.491 1.00 35.03 C ATOM 301 O GLY A 19 2.738 -10.785 6.478 1.00 2.21 O ATOM 0 H GLY A 19 1.066 -8.851 5.344 1.00 34.03 H new ATOM 0 HA2 GLY A 19 0.744 -11.495 4.069 1.00 70.12 H new ATOM 0 HA3 GLY A 19 1.963 -10.291 3.703 1.00 70.12 H new ATOM 305 N GLY A 20 2.690 -12.646 5.219 1.00 65.21 N ATOM 306 CA GLY A 20 3.641 -13.349 6.055 1.00 45.42 C ATOM 307 C GLY A 20 3.094 -13.688 7.423 1.00 10.34 C ATOM 308 O GLY A 20 3.761 -13.474 8.435 1.00 11.44 O ATOM 0 H GLY A 20 2.334 -13.186 4.430 1.00 65.21 H new ATOM 0 HA2 GLY A 20 3.945 -14.268 5.554 1.00 45.42 H new ATOM 0 HA3 GLY A 20 4.536 -12.737 6.170 1.00 45.42 H new ATOM 312 N LEU A 21 1.876 -14.202 7.456 1.00 20.31 N ATOM 313 CA LEU A 21 1.292 -14.702 8.686 1.00 23.21 C ATOM 314 C LEU A 21 1.856 -16.078 8.998 1.00 35.35 C ATOM 315 O LEU A 21 2.604 -16.651 8.201 1.00 33.41 O ATOM 316 CB LEU A 21 -0.230 -14.799 8.560 1.00 41.30 C ATOM 317 CG LEU A 21 -0.979 -13.470 8.536 1.00 70.11 C ATOM 318 CD1 LEU A 21 -2.465 -13.696 8.325 1.00 35.25 C ATOM 319 CD2 LEU A 21 -0.739 -12.712 9.824 1.00 13.35 C ATOM 0 H LEU A 21 1.271 -14.283 6.639 1.00 20.31 H new ATOM 0 HA LEU A 21 1.537 -14.009 9.491 1.00 23.21 H new ATOM 0 HB2 LEU A 21 -0.466 -15.344 7.646 1.00 41.30 H new ATOM 0 HB3 LEU A 21 -0.608 -15.393 9.392 1.00 41.30 H new ATOM 0 HG LEU A 21 -0.602 -12.876 7.703 1.00 70.11 H new ATOM 0 HD11 LEU A 21 -2.981 -12.736 8.311 1.00 35.25 H new ATOM 0 HD12 LEU A 21 -2.624 -14.207 7.376 1.00 35.25 H new ATOM 0 HD13 LEU A 21 -2.859 -14.308 9.137 1.00 35.25 H new ATOM 0 HD21 LEU A 21 -1.279 -11.765 9.795 1.00 13.35 H new ATOM 0 HD22 LEU A 21 -1.093 -13.306 10.667 1.00 13.35 H new ATOM 0 HD23 LEU A 21 0.327 -12.518 9.939 1.00 13.35 H new ATOM 331 N SER A 22 1.491 -16.614 10.145 1.00 63.23 N ATOM 332 CA SER A 22 1.902 -17.950 10.509 1.00 43.14 C ATOM 333 C SER A 22 0.946 -18.953 9.877 1.00 71.31 C ATOM 334 O SER A 22 -0.151 -18.590 9.440 1.00 33.22 O ATOM 335 CB SER A 22 1.917 -18.102 12.033 1.00 75.44 C ATOM 336 OG SER A 22 2.529 -19.316 12.428 1.00 44.24 O ATOM 0 H SER A 22 0.911 -16.143 10.839 1.00 63.23 H new ATOM 0 HA SER A 22 2.911 -18.137 10.142 1.00 43.14 H new ATOM 0 HB2 SER A 22 2.451 -17.263 12.478 1.00 75.44 H new ATOM 0 HB3 SER A 22 0.896 -18.068 12.413 1.00 75.44 H new ATOM 0 HG SER A 22 2.524 -19.382 13.406 1.00 44.24 H new ATOM 342 N PHE A 23 1.358 -20.210 9.838 1.00 44.44 N ATOM 343 CA PHE A 23 0.535 -21.275 9.283 1.00 63.14 C ATOM 344 C PHE A 23 -0.605 -21.621 10.243 1.00 42.21 C ATOM 345 O PHE A 23 -1.523 -22.371 9.904 1.00 42.33 O ATOM 346 CB PHE A 23 1.404 -22.505 9.014 1.00 2.42 C ATOM 347 CG PHE A 23 0.777 -23.510 8.091 1.00 4.42 C ATOM 348 CD1 PHE A 23 0.701 -23.265 6.730 1.00 32.12 C ATOM 349 CD2 PHE A 23 0.275 -24.703 8.583 1.00 31.20 C ATOM 350 CE1 PHE A 23 0.133 -24.192 5.878 1.00 50.40 C ATOM 351 CE2 PHE A 23 -0.290 -25.633 7.737 1.00 1.45 C ATOM 352 CZ PHE A 23 -0.361 -25.378 6.383 1.00 22.05 C ATOM 0 H PHE A 23 2.265 -20.520 10.187 1.00 44.44 H new ATOM 0 HA PHE A 23 0.097 -20.938 8.343 1.00 63.14 H new ATOM 0 HB2 PHE A 23 2.353 -22.180 8.588 1.00 2.42 H new ATOM 0 HB3 PHE A 23 1.630 -22.991 9.963 1.00 2.42 H new ATOM 0 HD1 PHE A 23 1.090 -22.340 6.331 1.00 32.12 H new ATOM 0 HD2 PHE A 23 0.327 -24.907 9.642 1.00 31.20 H new ATOM 0 HE1 PHE A 23 0.075 -23.989 4.819 1.00 50.40 H new ATOM 0 HE2 PHE A 23 -0.677 -26.560 8.134 1.00 1.45 H new ATOM 0 HZ PHE A 23 -0.803 -26.106 5.719 1.00 22.05 H new ATOM 362 N GLU A 24 -0.545 -21.043 11.436 1.00 52.52 N ATOM 363 CA GLU A 24 -1.535 -21.299 12.465 1.00 34.23 C ATOM 364 C GLU A 24 -2.206 -20.006 12.932 1.00 23.54 C ATOM 365 O GLU A 24 -2.895 -20.001 13.951 1.00 61.41 O ATOM 366 CB GLU A 24 -0.885 -22.013 13.648 1.00 15.22 C ATOM 367 CG GLU A 24 -0.383 -23.404 13.311 1.00 33.22 C ATOM 368 CD GLU A 24 0.135 -24.140 14.525 1.00 4.25 C ATOM 369 OE1 GLU A 24 -0.691 -24.601 15.336 1.00 34.10 O ATOM 370 OE2 GLU A 24 1.366 -24.267 14.668 1.00 14.35 O ATOM 0 H GLU A 24 0.187 -20.389 11.713 1.00 52.52 H new ATOM 0 HA GLU A 24 -2.307 -21.938 12.037 1.00 34.23 H new ATOM 0 HB2 GLU A 24 -0.051 -21.412 14.012 1.00 15.22 H new ATOM 0 HB3 GLU A 24 -1.607 -22.083 14.462 1.00 15.22 H new ATOM 0 HG2 GLU A 24 -1.191 -23.979 12.858 1.00 33.22 H new ATOM 0 HG3 GLU A 24 0.411 -23.331 12.568 1.00 33.22 H new ATOM 377 N THR A 25 -2.027 -18.919 12.180 1.00 43.22 N ATOM 378 CA THR A 25 -2.647 -17.643 12.530 1.00 51.12 C ATOM 379 C THR A 25 -4.143 -17.672 12.230 1.00 33.30 C ATOM 380 O THR A 25 -4.562 -17.980 11.111 1.00 44.51 O ATOM 381 CB THR A 25 -1.997 -16.457 11.779 1.00 14.40 C ATOM 382 OG1 THR A 25 -0.631 -16.316 12.181 1.00 42.13 O ATOM 383 CG2 THR A 25 -2.737 -15.152 12.054 1.00 61.12 C ATOM 0 H THR A 25 -1.462 -18.897 11.331 1.00 43.22 H new ATOM 0 HA THR A 25 -2.490 -17.497 13.599 1.00 51.12 H new ATOM 0 HB THR A 25 -2.053 -16.668 10.711 1.00 14.40 H new ATOM 0 HG1 THR A 25 -0.413 -15.365 12.270 1.00 42.13 H new ATOM 0 HG21 THR A 25 -2.255 -14.339 11.511 1.00 61.12 H new ATOM 0 HG22 THR A 25 -3.772 -15.244 11.725 1.00 61.12 H new ATOM 0 HG23 THR A 25 -2.714 -14.939 13.123 1.00 61.12 H new ATOM 391 N THR A 26 -4.938 -17.365 13.239 1.00 21.13 N ATOM 392 CA THR A 26 -6.380 -17.327 13.091 1.00 22.22 C ATOM 393 C THR A 26 -6.859 -15.895 12.903 1.00 73.34 C ATOM 394 O THR A 26 -6.139 -14.947 13.219 1.00 11.35 O ATOM 395 CB THR A 26 -7.073 -17.946 14.312 1.00 73.40 C ATOM 396 OG1 THR A 26 -6.506 -17.413 15.516 1.00 51.04 O ATOM 397 CG2 THR A 26 -6.927 -19.457 14.295 1.00 44.13 C ATOM 0 H THR A 26 -4.605 -17.137 14.176 1.00 21.13 H new ATOM 0 HA THR A 26 -6.640 -17.910 12.208 1.00 22.22 H new ATOM 0 HB THR A 26 -8.134 -17.698 14.275 1.00 73.40 H new ATOM 0 HG1 THR A 26 -6.953 -17.810 16.292 1.00 51.04 H new ATOM 0 HG21 THR A 26 -7.424 -19.880 15.168 1.00 44.13 H new ATOM 0 HG22 THR A 26 -7.382 -19.856 13.389 1.00 44.13 H new ATOM 0 HG23 THR A 26 -5.870 -19.721 14.316 1.00 44.13 H new ATOM 405 N ASP A 27 -8.072 -15.741 12.394 1.00 5.31 N ATOM 406 CA ASP A 27 -8.630 -14.420 12.132 1.00 53.00 C ATOM 407 C ASP A 27 -8.978 -13.711 13.435 1.00 23.22 C ATOM 408 O ASP A 27 -8.887 -12.489 13.526 1.00 14.33 O ATOM 409 CB ASP A 27 -9.862 -14.530 11.227 1.00 5.41 C ATOM 410 CG ASP A 27 -11.001 -15.301 11.867 1.00 12.23 C ATOM 411 OD1 ASP A 27 -10.853 -16.522 12.069 1.00 72.43 O ATOM 412 OD2 ASP A 27 -12.040 -14.686 12.175 1.00 42.51 O ATOM 0 H ASP A 27 -8.691 -16.515 12.153 1.00 5.31 H new ATOM 0 HA ASP A 27 -7.876 -13.825 11.616 1.00 53.00 H new ATOM 0 HB2 ASP A 27 -10.208 -13.529 10.970 1.00 5.41 H new ATOM 0 HB3 ASP A 27 -9.579 -15.018 10.295 1.00 5.41 H new ATOM 417 N GLU A 28 -9.356 -14.489 14.442 1.00 11.20 N ATOM 418 CA GLU A 28 -9.627 -13.960 15.773 1.00 32.43 C ATOM 419 C GLU A 28 -8.359 -13.377 16.395 1.00 45.04 C ATOM 420 O GLU A 28 -8.392 -12.327 17.035 1.00 60.22 O ATOM 421 CB GLU A 28 -10.207 -15.061 16.670 1.00 20.13 C ATOM 422 CG GLU A 28 -9.451 -16.382 16.593 1.00 53.04 C ATOM 423 CD GLU A 28 -9.950 -17.410 17.586 1.00 71.40 C ATOM 424 OE1 GLU A 28 -10.869 -18.180 17.246 1.00 63.04 O ATOM 425 OE2 GLU A 28 -9.410 -17.465 18.707 1.00 21.42 O ATOM 0 H GLU A 28 -9.483 -15.498 14.360 1.00 11.20 H new ATOM 0 HA GLU A 28 -10.359 -13.157 15.683 1.00 32.43 H new ATOM 0 HB2 GLU A 28 -10.206 -14.713 17.703 1.00 20.13 H new ATOM 0 HB3 GLU A 28 -11.247 -15.232 16.392 1.00 20.13 H new ATOM 0 HG2 GLU A 28 -9.540 -16.786 15.585 1.00 53.04 H new ATOM 0 HG3 GLU A 28 -8.391 -16.198 16.771 1.00 53.04 H new ATOM 432 N SER A 29 -7.241 -14.058 16.169 1.00 22.01 N ATOM 433 CA SER A 29 -5.949 -13.619 16.672 1.00 51.13 C ATOM 434 C SER A 29 -5.460 -12.402 15.890 1.00 30.33 C ATOM 435 O SER A 29 -4.911 -11.459 16.466 1.00 1.04 O ATOM 436 CB SER A 29 -4.935 -14.764 16.570 1.00 50.11 C ATOM 437 OG SER A 29 -3.643 -14.364 16.988 1.00 1.32 O ATOM 0 H SER A 29 -7.207 -14.926 15.634 1.00 22.01 H new ATOM 0 HA SER A 29 -6.055 -13.334 17.719 1.00 51.13 H new ATOM 0 HB2 SER A 29 -5.271 -15.602 17.181 1.00 50.11 H new ATOM 0 HB3 SER A 29 -4.890 -15.118 15.540 1.00 50.11 H new ATOM 0 HG SER A 29 -2.983 -14.634 16.315 1.00 1.32 H new ATOM 443 N LEU A 30 -5.683 -12.428 14.577 1.00 60.11 N ATOM 444 CA LEU A 30 -5.282 -11.336 13.702 1.00 41.23 C ATOM 445 C LEU A 30 -6.018 -10.051 14.068 1.00 5.20 C ATOM 446 O LEU A 30 -5.408 -8.981 14.145 1.00 52.14 O ATOM 447 CB LEU A 30 -5.548 -11.704 12.238 1.00 52.21 C ATOM 448 CG LEU A 30 -4.960 -10.741 11.205 1.00 33.15 C ATOM 449 CD1 LEU A 30 -3.448 -10.689 11.334 1.00 0.24 C ATOM 450 CD2 LEU A 30 -5.358 -11.154 9.795 1.00 35.31 C ATOM 0 H LEU A 30 -6.143 -13.201 14.096 1.00 60.11 H new ATOM 0 HA LEU A 30 -4.213 -11.166 13.833 1.00 41.23 H new ATOM 0 HB2 LEU A 30 -5.146 -12.700 12.052 1.00 52.21 H new ATOM 0 HB3 LEU A 30 -6.626 -11.761 12.085 1.00 52.21 H new ATOM 0 HG LEU A 30 -5.362 -9.746 11.396 1.00 33.15 H new ATOM 0 HD11 LEU A 30 -3.043 -10.000 10.593 1.00 0.24 H new ATOM 0 HD12 LEU A 30 -3.180 -10.346 12.333 1.00 0.24 H new ATOM 0 HD13 LEU A 30 -3.034 -11.684 11.169 1.00 0.24 H new ATOM 0 HD21 LEU A 30 -4.929 -10.455 9.077 1.00 35.31 H new ATOM 0 HD22 LEU A 30 -4.986 -12.158 9.591 1.00 35.31 H new ATOM 0 HD23 LEU A 30 -6.444 -11.145 9.706 1.00 35.31 H new ATOM 462 N ARG A 31 -7.329 -10.159 14.297 1.00 74.43 N ATOM 463 CA ARG A 31 -8.126 -9.023 14.730 1.00 75.43 C ATOM 464 C ARG A 31 -7.598 -8.477 16.036 1.00 11.52 C ATOM 465 O ARG A 31 -7.233 -7.319 16.124 1.00 54.45 O ATOM 466 CB ARG A 31 -9.595 -9.416 14.911 1.00 44.01 C ATOM 467 CG ARG A 31 -10.394 -8.367 15.666 1.00 2.35 C ATOM 468 CD ARG A 31 -11.812 -8.819 15.933 1.00 1.00 C ATOM 469 NE ARG A 31 -12.669 -8.578 14.783 1.00 52.31 N ATOM 470 CZ ARG A 31 -13.383 -7.468 14.612 1.00 53.24 C ATOM 471 NH1 ARG A 31 -13.325 -6.486 15.509 1.00 61.42 N ATOM 472 NH2 ARG A 31 -14.169 -7.344 13.550 1.00 72.22 N ATOM 0 H ARG A 31 -7.856 -11.025 14.188 1.00 74.43 H new ATOM 0 HA ARG A 31 -8.056 -8.258 13.956 1.00 75.43 H new ATOM 0 HB2 ARG A 31 -10.047 -9.576 13.932 1.00 44.01 H new ATOM 0 HB3 ARG A 31 -9.650 -10.364 15.447 1.00 44.01 H new ATOM 0 HG2 ARG A 31 -9.900 -8.146 16.612 1.00 2.35 H new ATOM 0 HG3 ARG A 31 -10.411 -7.441 15.091 1.00 2.35 H new ATOM 0 HD2 ARG A 31 -11.817 -9.881 16.177 1.00 1.00 H new ATOM 0 HD3 ARG A 31 -12.207 -8.291 16.801 1.00 1.00 H new ATOM 0 HE ARG A 31 -12.726 -9.301 14.066 1.00 52.31 H new ATOM 0 HH11 ARG A 31 -12.731 -6.582 16.333 1.00 61.42 H new ATOM 0 HH12 ARG A 31 -13.874 -5.638 15.373 1.00 61.42 H new ATOM 0 HH21 ARG A 31 -14.225 -8.099 12.866 1.00 72.22 H new ATOM 0 HH22 ARG A 31 -14.717 -6.494 13.417 1.00 72.22 H new ATOM 486 N SER A 32 -7.548 -9.349 17.024 1.00 72.43 N ATOM 487 CA SER A 32 -7.146 -9.004 18.373 1.00 72.34 C ATOM 488 C SER A 32 -5.827 -8.228 18.430 1.00 34.22 C ATOM 489 O SER A 32 -5.671 -7.322 19.251 1.00 12.14 O ATOM 490 CB SER A 32 -7.034 -10.290 19.167 1.00 31.30 C ATOM 491 OG SER A 32 -8.285 -10.663 19.724 1.00 40.45 O ATOM 0 H SER A 32 -7.790 -10.333 16.910 1.00 72.43 H new ATOM 0 HA SER A 32 -7.899 -8.340 18.796 1.00 72.34 H new ATOM 0 HB2 SER A 32 -6.669 -11.088 18.521 1.00 31.30 H new ATOM 0 HB3 SER A 32 -6.301 -10.165 19.964 1.00 31.30 H new ATOM 0 HG SER A 32 -8.735 -11.293 19.124 1.00 40.45 H new ATOM 497 N HIS A 33 -4.895 -8.570 17.555 1.00 3.23 N ATOM 498 CA HIS A 33 -3.618 -7.879 17.515 1.00 41.53 C ATOM 499 C HIS A 33 -3.767 -6.475 16.928 1.00 55.10 C ATOM 500 O HIS A 33 -3.423 -5.499 17.577 1.00 12.04 O ATOM 501 CB HIS A 33 -2.592 -8.675 16.713 1.00 22.32 C ATOM 502 CG HIS A 33 -1.181 -8.280 17.023 1.00 53.21 C ATOM 503 ND1 HIS A 33 -0.378 -7.674 16.091 1.00 34.24 N ATOM 504 CD2 HIS A 33 -0.488 -8.428 18.174 1.00 3.14 C ATOM 505 CE1 HIS A 33 0.781 -7.471 16.693 1.00 35.21 C ATOM 506 NE2 HIS A 33 0.759 -7.909 17.958 1.00 72.05 N ATOM 0 H HIS A 33 -4.998 -9.317 16.868 1.00 3.23 H new ATOM 0 HA HIS A 33 -3.264 -7.787 18.542 1.00 41.53 H new ATOM 0 HB2 HIS A 33 -2.721 -9.737 16.920 1.00 22.32 H new ATOM 0 HB3 HIS A 33 -2.779 -8.532 15.649 1.00 22.32 H new ATOM 0 HD2 HIS A 33 -0.850 -8.872 19.090 1.00 3.14 H new ATOM 0 HE1 HIS A 33 1.638 -7.010 16.224 1.00 35.21 H new ATOM 0 HE2 HIS A 33 1.524 -7.864 18.631 1.00 72.05 H new ATOM 514 N PHE A 34 -4.304 -6.369 15.721 1.00 34.34 N ATOM 515 CA PHE A 34 -4.400 -5.071 15.049 1.00 53.52 C ATOM 516 C PHE A 34 -5.465 -4.172 15.678 1.00 52.05 C ATOM 517 O PHE A 34 -5.427 -2.948 15.528 1.00 34.24 O ATOM 518 CB PHE A 34 -4.657 -5.269 13.557 1.00 40.32 C ATOM 519 CG PHE A 34 -3.417 -5.666 12.811 1.00 13.02 C ATOM 520 CD1 PHE A 34 -2.498 -4.705 12.421 1.00 61.03 C ATOM 521 CD2 PHE A 34 -3.161 -6.994 12.513 1.00 34.10 C ATOM 522 CE1 PHE A 34 -1.349 -5.061 11.745 1.00 45.44 C ATOM 523 CE2 PHE A 34 -2.011 -7.355 11.837 1.00 13.51 C ATOM 524 CZ PHE A 34 -1.105 -6.388 11.453 1.00 54.43 C ATOM 0 H PHE A 34 -4.678 -7.154 15.188 1.00 34.34 H new ATOM 0 HA PHE A 34 -3.446 -4.560 15.177 1.00 53.52 H new ATOM 0 HB2 PHE A 34 -5.420 -6.035 13.421 1.00 40.32 H new ATOM 0 HB3 PHE A 34 -5.053 -4.346 13.134 1.00 40.32 H new ATOM 0 HD1 PHE A 34 -2.683 -3.666 12.649 1.00 61.03 H new ATOM 0 HD2 PHE A 34 -3.867 -7.755 12.812 1.00 34.10 H new ATOM 0 HE1 PHE A 34 -0.641 -4.302 11.445 1.00 45.44 H new ATOM 0 HE2 PHE A 34 -1.822 -8.394 11.609 1.00 13.51 H new ATOM 0 HZ PHE A 34 -0.206 -6.669 10.925 1.00 54.43 H new ATOM 534 N GLU A 35 -6.396 -4.782 16.399 1.00 74.34 N ATOM 535 CA GLU A 35 -7.436 -4.053 17.117 1.00 14.44 C ATOM 536 C GLU A 35 -6.842 -3.175 18.226 1.00 4.22 C ATOM 537 O GLU A 35 -7.525 -2.314 18.775 1.00 13.03 O ATOM 538 CB GLU A 35 -8.448 -5.042 17.707 1.00 51.30 C ATOM 539 CG GLU A 35 -9.786 -4.424 18.055 1.00 21.13 C ATOM 540 CD GLU A 35 -10.795 -5.441 18.548 1.00 64.22 C ATOM 541 OE1 GLU A 35 -10.819 -5.713 19.765 1.00 62.23 O ATOM 542 OE2 GLU A 35 -11.581 -5.960 17.728 1.00 31.12 O ATOM 0 H GLU A 35 -6.453 -5.795 16.503 1.00 74.34 H new ATOM 0 HA GLU A 35 -7.941 -3.395 16.410 1.00 14.44 H new ATOM 0 HB2 GLU A 35 -8.608 -5.851 16.994 1.00 51.30 H new ATOM 0 HB3 GLU A 35 -8.022 -5.489 18.605 1.00 51.30 H new ATOM 0 HG2 GLU A 35 -9.641 -3.663 18.822 1.00 21.13 H new ATOM 0 HG3 GLU A 35 -10.187 -3.919 17.176 1.00 21.13 H new ATOM 549 N GLN A 36 -5.570 -3.397 18.552 1.00 63.41 N ATOM 550 CA GLN A 36 -4.869 -2.566 19.530 1.00 14.51 C ATOM 551 C GLN A 36 -4.748 -1.123 19.047 1.00 50.41 C ATOM 552 O GLN A 36 -4.704 -0.200 19.853 1.00 61.00 O ATOM 553 CB GLN A 36 -3.465 -3.109 19.818 1.00 45.22 C ATOM 554 CG GLN A 36 -3.441 -4.475 20.481 1.00 25.22 C ATOM 555 CD GLN A 36 -2.029 -5.007 20.656 1.00 61.22 C ATOM 556 OE1 GLN A 36 -1.389 -4.789 21.687 1.00 41.33 O ATOM 557 NE2 GLN A 36 -1.528 -5.694 19.644 1.00 72.42 N ATOM 0 H GLN A 36 -5.003 -4.145 18.153 1.00 63.41 H new ATOM 0 HA GLN A 36 -5.461 -2.592 20.445 1.00 14.51 H new ATOM 0 HB2 GLN A 36 -2.912 -3.165 18.881 1.00 45.22 H new ATOM 0 HB3 GLN A 36 -2.939 -2.400 20.457 1.00 45.22 H new ATOM 0 HG2 GLN A 36 -3.926 -4.412 21.455 1.00 25.22 H new ATOM 0 HG3 GLN A 36 -4.020 -5.178 19.881 1.00 25.22 H new ATOM 0 HE21 GLN A 36 -2.090 -5.853 18.808 1.00 72.42 H new ATOM 0 HE22 GLN A 36 -0.580 -6.065 19.699 1.00 72.42 H new ATOM 566 N TRP A 37 -4.704 -0.934 17.735 1.00 33.21 N ATOM 567 CA TRP A 37 -4.482 0.389 17.170 1.00 42.20 C ATOM 568 C TRP A 37 -5.783 1.049 16.729 1.00 70.30 C ATOM 569 O TRP A 37 -5.837 2.266 16.565 1.00 2.54 O ATOM 570 CB TRP A 37 -3.486 0.309 16.011 1.00 35.44 C ATOM 571 CG TRP A 37 -2.097 0.025 16.489 1.00 40.11 C ATOM 572 CD1 TRP A 37 -1.152 0.944 16.832 1.00 5.01 C ATOM 573 CD2 TRP A 37 -1.503 -1.260 16.702 1.00 30.13 C ATOM 574 NE1 TRP A 37 -0.010 0.312 17.253 1.00 44.30 N ATOM 575 CE2 TRP A 37 -0.199 -1.041 17.181 1.00 1.11 C ATOM 576 CE3 TRP A 37 -1.949 -2.574 16.541 1.00 72.31 C ATOM 577 CZ2 TRP A 37 0.663 -2.085 17.497 1.00 72.53 C ATOM 578 CZ3 TRP A 37 -1.091 -3.610 16.853 1.00 44.51 C ATOM 579 CH2 TRP A 37 0.200 -3.362 17.331 1.00 43.24 C ATOM 0 H TRP A 37 -4.819 -1.677 17.045 1.00 33.21 H new ATOM 0 HA TRP A 37 -4.059 1.017 17.954 1.00 42.20 H new ATOM 0 HB2 TRP A 37 -3.798 -0.472 15.317 1.00 35.44 H new ATOM 0 HB3 TRP A 37 -3.495 1.249 15.459 1.00 35.44 H new ATOM 0 HD1 TRP A 37 -1.283 2.015 16.780 1.00 5.01 H new ATOM 0 HE1 TRP A 37 0.842 0.776 17.569 1.00 44.30 H new ATOM 0 HE3 TRP A 37 -2.946 -2.776 16.179 1.00 72.31 H new ATOM 0 HZ2 TRP A 37 1.662 -1.895 17.860 1.00 72.53 H new ATOM 0 HZ3 TRP A 37 -1.423 -4.630 16.726 1.00 44.51 H new ATOM 0 HH2 TRP A 37 0.844 -4.194 17.574 1.00 43.24 H new ATOM 590 N GLY A 38 -6.826 0.259 16.532 1.00 12.24 N ATOM 591 CA GLY A 38 -8.111 0.834 16.199 1.00 53.10 C ATOM 592 C GLY A 38 -9.202 -0.201 16.058 1.00 24.22 C ATOM 593 O GLY A 38 -8.930 -1.402 16.032 1.00 14.31 O ATOM 0 H GLY A 38 -6.807 -0.759 16.596 1.00 12.24 H new ATOM 0 HA2 GLY A 38 -8.394 1.549 16.971 1.00 53.10 H new ATOM 0 HA3 GLY A 38 -8.023 1.391 15.266 1.00 53.10 H new ATOM 597 N THR A 39 -10.437 0.274 15.980 1.00 60.35 N ATOM 598 CA THR A 39 -11.593 -0.591 15.831 1.00 3.01 C ATOM 599 C THR A 39 -11.600 -1.297 14.484 1.00 24.44 C ATOM 600 O THR A 39 -11.617 -0.662 13.431 1.00 3.24 O ATOM 601 CB THR A 39 -12.896 0.205 15.989 1.00 51.43 C ATOM 602 OG1 THR A 39 -12.893 0.883 17.252 1.00 43.42 O ATOM 603 CG2 THR A 39 -14.106 -0.707 15.896 1.00 70.11 C ATOM 0 H THR A 39 -10.663 1.268 16.018 1.00 60.35 H new ATOM 0 HA THR A 39 -11.527 -1.343 16.617 1.00 3.01 H new ATOM 0 HB THR A 39 -12.957 0.934 15.181 1.00 51.43 H new ATOM 0 HG1 THR A 39 -13.724 1.392 17.352 1.00 43.42 H new ATOM 0 HG21 THR A 39 -15.016 -0.118 16.011 1.00 70.11 H new ATOM 0 HG22 THR A 39 -14.115 -1.202 14.925 1.00 70.11 H new ATOM 0 HG23 THR A 39 -14.058 -1.457 16.685 1.00 70.11 H new ATOM 611 N LEU A 40 -11.546 -2.612 14.536 1.00 31.21 N ATOM 612 CA LEU A 40 -11.662 -3.422 13.341 1.00 2.22 C ATOM 613 C LEU A 40 -13.118 -3.751 13.050 1.00 53.20 C ATOM 614 O LEU A 40 -13.862 -4.195 13.923 1.00 31.40 O ATOM 615 CB LEU A 40 -10.835 -4.702 13.465 1.00 33.00 C ATOM 616 CG LEU A 40 -9.321 -4.491 13.527 1.00 2.42 C ATOM 617 CD1 LEU A 40 -8.603 -5.822 13.585 1.00 14.44 C ATOM 618 CD2 LEU A 40 -8.834 -3.695 12.330 1.00 32.31 C ATOM 0 H LEU A 40 -11.422 -3.144 15.397 1.00 31.21 H new ATOM 0 HA LEU A 40 -11.269 -2.844 12.505 1.00 2.22 H new ATOM 0 HB2 LEU A 40 -11.149 -5.234 14.363 1.00 33.00 H new ATOM 0 HB3 LEU A 40 -11.062 -5.347 12.616 1.00 33.00 H new ATOM 0 HG LEU A 40 -9.098 -3.927 14.433 1.00 2.42 H new ATOM 0 HD11 LEU A 40 -7.527 -5.653 13.629 1.00 14.44 H new ATOM 0 HD12 LEU A 40 -8.921 -6.369 14.473 1.00 14.44 H new ATOM 0 HD13 LEU A 40 -8.843 -6.404 12.695 1.00 14.44 H new ATOM 0 HD21 LEU A 40 -7.755 -3.559 12.398 1.00 32.31 H new ATOM 0 HD22 LEU A 40 -9.075 -4.233 11.413 1.00 32.31 H new ATOM 0 HD23 LEU A 40 -9.322 -2.721 12.318 1.00 32.31 H new ATOM 630 N THR A 41 -13.507 -3.522 11.814 1.00 52.11 N ATOM 631 CA THR A 41 -14.856 -3.791 11.366 1.00 3.41 C ATOM 632 C THR A 41 -14.922 -5.160 10.704 1.00 72.22 C ATOM 633 O THR A 41 -15.973 -5.800 10.670 1.00 34.32 O ATOM 634 CB THR A 41 -15.334 -2.709 10.382 1.00 74.54 C ATOM 635 OG1 THR A 41 -14.370 -2.535 9.336 1.00 45.12 O ATOM 636 CG2 THR A 41 -15.543 -1.387 11.097 1.00 63.02 C ATOM 0 H THR A 41 -12.896 -3.143 11.091 1.00 52.11 H new ATOM 0 HA THR A 41 -15.514 -3.779 12.235 1.00 3.41 H new ATOM 0 HB THR A 41 -16.283 -3.034 9.955 1.00 74.54 H new ATOM 0 HG1 THR A 41 -14.683 -1.846 8.714 1.00 45.12 H new ATOM 0 HG21 THR A 41 -15.881 -0.636 10.383 1.00 63.02 H new ATOM 0 HG22 THR A 41 -16.295 -1.510 11.877 1.00 63.02 H new ATOM 0 HG23 THR A 41 -14.604 -1.064 11.546 1.00 63.02 H new ATOM 644 N ASP A 42 -13.776 -5.610 10.199 1.00 24.33 N ATOM 645 CA ASP A 42 -13.669 -6.909 9.549 1.00 43.41 C ATOM 646 C ASP A 42 -12.254 -7.450 9.690 1.00 44.13 C ATOM 647 O ASP A 42 -11.306 -6.680 9.825 1.00 61.55 O ATOM 648 CB ASP A 42 -14.015 -6.795 8.064 1.00 32.05 C ATOM 649 CG ASP A 42 -14.299 -8.140 7.427 1.00 52.21 C ATOM 650 OD1 ASP A 42 -15.446 -8.614 7.516 1.00 35.00 O ATOM 651 OD2 ASP A 42 -13.374 -8.736 6.839 1.00 53.31 O ATOM 0 H ASP A 42 -12.901 -5.086 10.229 1.00 24.33 H new ATOM 0 HA ASP A 42 -14.371 -7.590 10.031 1.00 43.41 H new ATOM 0 HB2 ASP A 42 -14.886 -6.150 7.946 1.00 32.05 H new ATOM 0 HB3 ASP A 42 -13.190 -6.315 7.538 1.00 32.05 H new ATOM 656 N CYS A 43 -12.120 -8.765 9.682 1.00 63.41 N ATOM 657 CA CYS A 43 -10.817 -9.412 9.694 1.00 1.02 C ATOM 658 C CYS A 43 -10.958 -10.854 9.235 1.00 11.42 C ATOM 659 O CYS A 43 -11.836 -11.574 9.713 1.00 51.44 O ATOM 660 CB CYS A 43 -10.203 -9.370 11.097 1.00 33.24 C ATOM 661 SG CYS A 43 -8.720 -10.382 11.280 1.00 62.31 S ATOM 0 H CYS A 43 -12.907 -9.413 9.667 1.00 63.41 H new ATOM 0 HA CYS A 43 -10.156 -8.876 9.013 1.00 1.02 H new ATOM 0 HB2 CYS A 43 -9.958 -8.337 11.345 1.00 33.24 H new ATOM 0 HB3 CYS A 43 -10.949 -9.703 11.819 1.00 33.24 H new ATOM 0 HG CYS A 43 -8.899 -11.246 12.235 1.00 62.31 H new ATOM 667 N VAL A 44 -10.115 -11.274 8.297 1.00 61.54 N ATOM 668 CA VAL A 44 -10.134 -12.649 7.834 1.00 23.53 C ATOM 669 C VAL A 44 -8.752 -13.082 7.346 1.00 31.50 C ATOM 670 O VAL A 44 -8.099 -12.383 6.568 1.00 1.20 O ATOM 671 CB VAL A 44 -11.202 -12.869 6.725 1.00 3.14 C ATOM 672 CG1 VAL A 44 -10.990 -11.932 5.547 1.00 24.33 C ATOM 673 CG2 VAL A 44 -11.215 -14.318 6.259 1.00 45.53 C ATOM 0 H VAL A 44 -9.416 -10.683 7.847 1.00 61.54 H new ATOM 0 HA VAL A 44 -10.409 -13.273 8.685 1.00 23.53 H new ATOM 0 HB VAL A 44 -12.173 -12.638 7.162 1.00 3.14 H new ATOM 0 HG11 VAL A 44 -11.756 -12.116 4.793 1.00 24.33 H new ATOM 0 HG12 VAL A 44 -11.057 -10.899 5.887 1.00 24.33 H new ATOM 0 HG13 VAL A 44 -10.005 -12.108 5.114 1.00 24.33 H new ATOM 0 HG21 VAL A 44 -11.971 -14.444 5.484 1.00 45.53 H new ATOM 0 HG22 VAL A 44 -10.236 -14.580 5.858 1.00 45.53 H new ATOM 0 HG23 VAL A 44 -11.448 -14.969 7.102 1.00 45.53 H new ATOM 683 N VAL A 45 -8.296 -14.219 7.847 1.00 51.31 N ATOM 684 CA VAL A 45 -7.082 -14.840 7.356 1.00 3.23 C ATOM 685 C VAL A 45 -7.438 -15.722 6.174 1.00 33.40 C ATOM 686 O VAL A 45 -8.402 -16.484 6.248 1.00 53.41 O ATOM 687 CB VAL A 45 -6.400 -15.689 8.458 1.00 62.54 C ATOM 688 CG1 VAL A 45 -5.187 -16.443 7.923 1.00 21.33 C ATOM 689 CG2 VAL A 45 -5.995 -14.808 9.623 1.00 2.35 C ATOM 0 H VAL A 45 -8.755 -14.732 8.600 1.00 51.31 H new ATOM 0 HA VAL A 45 -6.380 -14.062 7.055 1.00 3.23 H new ATOM 0 HB VAL A 45 -7.125 -16.428 8.800 1.00 62.54 H new ATOM 0 HG11 VAL A 45 -4.737 -17.026 8.727 1.00 21.33 H new ATOM 0 HG12 VAL A 45 -5.499 -17.111 7.121 1.00 21.33 H new ATOM 0 HG13 VAL A 45 -4.456 -15.731 7.539 1.00 21.33 H new ATOM 0 HG21 VAL A 45 -5.517 -15.417 10.391 1.00 2.35 H new ATOM 0 HG22 VAL A 45 -5.297 -14.046 9.277 1.00 2.35 H new ATOM 0 HG23 VAL A 45 -6.880 -14.327 10.040 1.00 2.35 H new ATOM 699 N MET A 46 -6.693 -15.604 5.085 1.00 14.24 N ATOM 700 CA MET A 46 -6.949 -16.425 3.918 1.00 10.05 C ATOM 701 C MET A 46 -6.482 -17.836 4.172 1.00 5.31 C ATOM 702 O MET A 46 -5.291 -18.132 4.137 1.00 53.01 O ATOM 703 CB MET A 46 -6.264 -15.887 2.674 1.00 45.11 C ATOM 704 CG MET A 46 -6.815 -14.561 2.178 1.00 31.22 C ATOM 705 SD MET A 46 -8.210 -14.733 1.038 1.00 41.04 S ATOM 706 CE MET A 46 -9.514 -15.306 2.124 1.00 53.44 C ATOM 0 H MET A 46 -5.914 -14.953 4.988 1.00 14.24 H new ATOM 0 HA MET A 46 -8.024 -16.408 3.741 1.00 10.05 H new ATOM 0 HB2 MET A 46 -5.200 -15.770 2.882 1.00 45.11 H new ATOM 0 HB3 MET A 46 -6.354 -16.625 1.877 1.00 45.11 H new ATOM 0 HG2 MET A 46 -7.129 -13.965 3.035 1.00 31.22 H new ATOM 0 HG3 MET A 46 -6.017 -14.009 1.681 1.00 31.22 H new ATOM 0 HE1 MET A 46 -10.482 -15.022 1.711 1.00 53.44 H new ATOM 0 HE2 MET A 46 -9.462 -16.391 2.214 1.00 53.44 H new ATOM 0 HE3 MET A 46 -9.393 -14.854 3.108 1.00 53.44 H new ATOM 716 N ARG A 47 -7.428 -18.673 4.498 1.00 12.54 N ATOM 717 CA ARG A 47 -7.146 -20.056 4.780 1.00 34.55 C ATOM 718 C ARG A 47 -7.515 -20.931 3.603 1.00 4.03 C ATOM 719 O ARG A 47 -8.273 -20.533 2.720 1.00 12.45 O ATOM 720 CB ARG A 47 -7.882 -20.506 6.045 1.00 42.53 C ATOM 721 CG ARG A 47 -7.414 -19.773 7.295 1.00 44.53 C ATOM 722 CD ARG A 47 -8.243 -20.127 8.517 1.00 15.44 C ATOM 723 NE ARG A 47 -9.641 -19.722 8.387 1.00 43.42 N ATOM 724 CZ ARG A 47 -10.427 -19.418 9.422 1.00 51.33 C ATOM 725 NH1 ARG A 47 -9.955 -19.478 10.664 1.00 74.41 N ATOM 726 NH2 ARG A 47 -11.691 -19.069 9.214 1.00 4.10 N ATOM 0 H ARG A 47 -8.413 -18.419 4.576 1.00 12.54 H new ATOM 0 HA ARG A 47 -6.075 -20.159 4.952 1.00 34.55 H new ATOM 0 HB2 ARG A 47 -8.952 -20.344 5.914 1.00 42.53 H new ATOM 0 HB3 ARG A 47 -7.736 -21.577 6.182 1.00 42.53 H new ATOM 0 HG2 ARG A 47 -6.369 -20.016 7.486 1.00 44.53 H new ATOM 0 HG3 ARG A 47 -7.465 -18.698 7.123 1.00 44.53 H new ATOM 0 HD2 ARG A 47 -8.195 -21.203 8.684 1.00 15.44 H new ATOM 0 HD3 ARG A 47 -7.811 -19.648 9.395 1.00 15.44 H new ATOM 0 HE ARG A 47 -10.040 -19.668 7.450 1.00 43.42 H new ATOM 0 HH11 ARG A 47 -8.988 -19.757 10.829 1.00 74.41 H new ATOM 0 HH12 ARG A 47 -10.560 -19.245 11.451 1.00 74.41 H new ATOM 0 HH21 ARG A 47 -12.061 -19.033 8.264 1.00 4.10 H new ATOM 0 HH22 ARG A 47 -12.293 -18.837 10.004 1.00 4.10 H new ATOM 740 N ASP A 48 -6.947 -22.112 3.598 1.00 63.14 N ATOM 741 CA ASP A 48 -7.174 -23.087 2.557 1.00 2.21 C ATOM 742 C ASP A 48 -8.543 -23.735 2.720 1.00 71.22 C ATOM 743 O ASP A 48 -8.862 -24.237 3.787 1.00 24.10 O ATOM 744 CB ASP A 48 -6.077 -24.148 2.639 1.00 32.05 C ATOM 745 CG ASP A 48 -6.310 -25.322 1.718 1.00 33.14 C ATOM 746 OD1 ASP A 48 -6.700 -25.114 0.556 1.00 45.43 O ATOM 747 OD2 ASP A 48 -6.104 -26.463 2.160 1.00 42.24 O ATOM 0 H ASP A 48 -6.306 -22.428 4.326 1.00 63.14 H new ATOM 0 HA ASP A 48 -7.148 -22.596 1.584 1.00 2.21 H new ATOM 0 HB2 ASP A 48 -5.119 -23.689 2.396 1.00 32.05 H new ATOM 0 HB3 ASP A 48 -6.006 -24.509 3.665 1.00 32.05 H new ATOM 752 N PRO A 49 -9.380 -23.720 1.677 1.00 10.34 N ATOM 753 CA PRO A 49 -10.691 -24.374 1.724 1.00 70.34 C ATOM 754 C PRO A 49 -10.602 -25.907 1.710 1.00 34.45 C ATOM 755 O PRO A 49 -11.595 -26.591 1.943 1.00 42.02 O ATOM 756 CB PRO A 49 -11.386 -23.861 0.459 1.00 44.45 C ATOM 757 CG PRO A 49 -10.285 -23.479 -0.469 1.00 71.30 C ATOM 758 CD PRO A 49 -9.143 -23.028 0.397 1.00 42.43 C ATOM 0 HA PRO A 49 -11.222 -24.143 2.647 1.00 70.34 H new ATOM 0 HB2 PRO A 49 -12.021 -24.631 0.020 1.00 44.45 H new ATOM 0 HB3 PRO A 49 -12.027 -23.008 0.681 1.00 44.45 H new ATOM 0 HG2 PRO A 49 -9.991 -24.324 -1.092 1.00 71.30 H new ATOM 0 HG3 PRO A 49 -10.602 -22.682 -1.141 1.00 71.30 H new ATOM 0 HD2 PRO A 49 -8.181 -23.303 -0.034 1.00 42.43 H new ATOM 0 HD3 PRO A 49 -9.139 -21.945 0.522 1.00 42.43 H new ATOM 766 N ASN A 50 -9.421 -26.446 1.423 1.00 22.40 N ATOM 767 CA ASN A 50 -9.247 -27.897 1.351 1.00 63.21 C ATOM 768 C ASN A 50 -8.966 -28.504 2.727 1.00 74.45 C ATOM 769 O ASN A 50 -9.691 -29.381 3.189 1.00 70.52 O ATOM 770 CB ASN A 50 -8.119 -28.268 0.385 1.00 71.13 C ATOM 771 CG ASN A 50 -8.427 -27.858 -1.037 1.00 65.24 C ATOM 772 OD1 ASN A 50 -8.982 -28.628 -1.822 1.00 23.22 O ATOM 773 ND2 ASN A 50 -8.074 -26.635 -1.377 1.00 10.04 N ATOM 0 H ASN A 50 -8.575 -25.907 1.237 1.00 22.40 H new ATOM 0 HA ASN A 50 -10.185 -28.310 0.979 1.00 63.21 H new ATOM 0 HB2 ASN A 50 -7.195 -27.789 0.707 1.00 71.13 H new ATOM 0 HB3 ASN A 50 -7.950 -29.344 0.423 1.00 71.13 H new ATOM 0 HD21 ASN A 50 -8.259 -26.295 -2.321 1.00 10.04 H new ATOM 0 HD22 ASN A 50 -7.616 -26.029 -0.697 1.00 10.04 H new ATOM 780 N THR A 51 -7.917 -28.013 3.381 1.00 45.31 N ATOM 781 CA THR A 51 -7.454 -28.565 4.652 1.00 14.23 C ATOM 782 C THR A 51 -7.753 -27.617 5.814 1.00 23.34 C ATOM 783 O THR A 51 -7.593 -27.976 6.982 1.00 32.44 O ATOM 784 CB THR A 51 -5.934 -28.833 4.589 1.00 2.14 C ATOM 785 OG1 THR A 51 -5.591 -29.351 3.297 1.00 52.31 O ATOM 786 CG2 THR A 51 -5.490 -29.823 5.657 1.00 64.05 C ATOM 0 H THR A 51 -7.365 -27.223 3.046 1.00 45.31 H new ATOM 0 HA THR A 51 -7.989 -29.499 4.823 1.00 14.23 H new ATOM 0 HB THR A 51 -5.423 -27.887 4.768 1.00 2.14 H new ATOM 0 HG1 THR A 51 -5.593 -28.623 2.641 1.00 52.31 H new ATOM 0 HG21 THR A 51 -4.415 -29.985 5.579 1.00 64.05 H new ATOM 0 HG22 THR A 51 -5.726 -29.424 6.644 1.00 64.05 H new ATOM 0 HG23 THR A 51 -6.010 -30.770 5.514 1.00 64.05 H new ATOM 794 N LYS A 52 -8.182 -26.403 5.472 1.00 63.42 N ATOM 795 CA LYS A 52 -8.551 -25.373 6.450 1.00 1.10 C ATOM 796 C LYS A 52 -7.334 -24.925 7.257 1.00 1.11 C ATOM 797 O LYS A 52 -7.369 -24.866 8.488 1.00 24.10 O ATOM 798 CB LYS A 52 -9.683 -25.851 7.382 1.00 54.51 C ATOM 799 CG LYS A 52 -10.888 -26.453 6.658 1.00 53.21 C ATOM 800 CD LYS A 52 -11.351 -25.586 5.497 1.00 4.45 C ATOM 801 CE LYS A 52 -12.610 -26.138 4.846 1.00 10.34 C ATOM 802 NZ LYS A 52 -13.770 -26.162 5.775 1.00 61.22 N ATOM 0 H LYS A 52 -8.285 -26.102 4.503 1.00 63.42 H new ATOM 0 HA LYS A 52 -8.926 -24.515 5.893 1.00 1.10 H new ATOM 0 HB2 LYS A 52 -9.280 -26.594 8.071 1.00 54.51 H new ATOM 0 HB3 LYS A 52 -10.021 -25.008 7.985 1.00 54.51 H new ATOM 0 HG2 LYS A 52 -10.629 -27.445 6.288 1.00 53.21 H new ATOM 0 HG3 LYS A 52 -11.708 -26.580 7.364 1.00 53.21 H new ATOM 0 HD2 LYS A 52 -11.540 -24.573 5.853 1.00 4.45 H new ATOM 0 HD3 LYS A 52 -10.557 -25.520 4.754 1.00 4.45 H new ATOM 0 HE2 LYS A 52 -12.859 -25.533 3.975 1.00 10.34 H new ATOM 0 HE3 LYS A 52 -12.416 -27.149 4.487 1.00 10.34 H new ATOM 0 HZ1 LYS A 52 -14.643 -26.333 5.236 1.00 61.22 H new ATOM 0 HZ2 LYS A 52 -13.640 -26.921 6.474 1.00 61.22 H new ATOM 0 HZ3 LYS A 52 -13.840 -25.248 6.266 1.00 61.22 H new ATOM 816 N ARG A 53 -6.253 -24.609 6.551 1.00 50.21 N ATOM 817 CA ARG A 53 -5.035 -24.122 7.190 1.00 24.14 C ATOM 818 C ARG A 53 -4.706 -22.738 6.657 1.00 61.23 C ATOM 819 O ARG A 53 -5.165 -22.374 5.582 1.00 64.33 O ATOM 820 CB ARG A 53 -3.861 -25.070 6.930 1.00 33.34 C ATOM 821 CG ARG A 53 -4.080 -26.501 7.410 1.00 62.34 C ATOM 822 CD ARG A 53 -4.582 -26.553 8.847 1.00 12.51 C ATOM 823 NE ARG A 53 -3.727 -25.807 9.771 1.00 15.52 N ATOM 824 CZ ARG A 53 -4.176 -24.914 10.657 1.00 51.42 C ATOM 825 NH1 ARG A 53 -5.475 -24.644 10.755 1.00 22.01 N ATOM 826 NH2 ARG A 53 -3.320 -24.280 11.442 1.00 32.13 N ATOM 0 H ARG A 53 -6.195 -24.681 5.535 1.00 50.21 H new ATOM 0 HA ARG A 53 -5.202 -24.075 8.266 1.00 24.14 H new ATOM 0 HB2 ARG A 53 -3.656 -25.087 5.860 1.00 33.34 H new ATOM 0 HB3 ARG A 53 -2.973 -24.669 7.418 1.00 33.34 H new ATOM 0 HG2 ARG A 53 -4.799 -26.996 6.757 1.00 62.34 H new ATOM 0 HG3 ARG A 53 -3.145 -27.056 7.333 1.00 62.34 H new ATOM 0 HD2 ARG A 53 -5.594 -26.150 8.889 1.00 12.51 H new ATOM 0 HD3 ARG A 53 -4.639 -27.592 9.170 1.00 12.51 H new ATOM 0 HE ARG A 53 -2.722 -25.980 9.736 1.00 15.52 H new ATOM 0 HH11 ARG A 53 -6.142 -25.121 10.149 1.00 22.01 H new ATOM 0 HH12 ARG A 53 -5.804 -23.960 11.436 1.00 22.01 H new ATOM 0 HH21 ARG A 53 -2.321 -24.474 11.369 1.00 32.13 H new ATOM 0 HH22 ARG A 53 -3.659 -23.597 12.120 1.00 32.13 H new ATOM 840 N SER A 54 -3.911 -21.971 7.384 1.00 14.30 N ATOM 841 CA SER A 54 -3.611 -20.604 6.985 1.00 45.54 C ATOM 842 C SER A 54 -2.654 -20.574 5.796 1.00 25.01 C ATOM 843 O SER A 54 -1.654 -21.287 5.777 1.00 34.22 O ATOM 844 CB SER A 54 -3.006 -19.843 8.165 1.00 31.40 C ATOM 845 OG SER A 54 -3.811 -19.987 9.324 1.00 22.54 O ATOM 0 H SER A 54 -3.463 -22.269 8.250 1.00 14.30 H new ATOM 0 HA SER A 54 -4.541 -20.123 6.681 1.00 45.54 H new ATOM 0 HB2 SER A 54 -2.001 -20.215 8.366 1.00 31.40 H new ATOM 0 HB3 SER A 54 -2.911 -18.787 7.912 1.00 31.40 H new ATOM 0 HG SER A 54 -3.911 -19.117 9.763 1.00 22.54 H new ATOM 851 N ARG A 55 -2.970 -19.738 4.811 1.00 21.11 N ATOM 852 CA ARG A 55 -2.114 -19.565 3.641 1.00 34.44 C ATOM 853 C ARG A 55 -1.025 -18.537 3.915 1.00 35.11 C ATOM 854 O ARG A 55 -0.233 -18.196 3.034 1.00 43.21 O ATOM 855 CB ARG A 55 -2.941 -19.136 2.432 1.00 63.20 C ATOM 856 CG ARG A 55 -3.849 -20.228 1.906 1.00 14.24 C ATOM 857 CD ARG A 55 -4.867 -19.687 0.918 1.00 24.42 C ATOM 858 NE ARG A 55 -5.396 -20.755 0.069 1.00 72.21 N ATOM 859 CZ ARG A 55 -6.348 -20.594 -0.851 1.00 63.02 C ATOM 860 NH1 ARG A 55 -6.893 -19.400 -1.057 1.00 1.24 N ATOM 861 NH2 ARG A 55 -6.749 -21.634 -1.572 1.00 23.13 N ATOM 0 H ARG A 55 -3.816 -19.168 4.800 1.00 21.11 H new ATOM 0 HA ARG A 55 -1.642 -20.523 3.425 1.00 34.44 H new ATOM 0 HB2 ARG A 55 -3.545 -18.270 2.703 1.00 63.20 H new ATOM 0 HB3 ARG A 55 -2.268 -18.818 1.635 1.00 63.20 H new ATOM 0 HG2 ARG A 55 -3.248 -20.999 1.424 1.00 14.24 H new ATOM 0 HG3 ARG A 55 -4.368 -20.702 2.739 1.00 14.24 H new ATOM 0 HD2 ARG A 55 -5.684 -19.209 1.458 1.00 24.42 H new ATOM 0 HD3 ARG A 55 -4.404 -18.920 0.297 1.00 24.42 H new ATOM 0 HE ARG A 55 -5.008 -21.691 0.190 1.00 72.21 H new ATOM 0 HH11 ARG A 55 -6.584 -18.597 -0.509 1.00 1.24 H new ATOM 0 HH12 ARG A 55 -7.621 -19.286 -1.763 1.00 1.24 H new ATOM 0 HH21 ARG A 55 -6.329 -22.551 -1.421 1.00 23.13 H new ATOM 0 HH22 ARG A 55 -7.477 -21.516 -2.277 1.00 23.13 H new ATOM 875 N GLY A 56 -0.993 -18.047 5.144 1.00 52.43 N ATOM 876 CA GLY A 56 0.043 -17.124 5.552 1.00 2.12 C ATOM 877 C GLY A 56 -0.194 -15.694 5.110 1.00 1.25 C ATOM 878 O GLY A 56 0.755 -14.921 5.006 1.00 20.13 O ATOM 0 H GLY A 56 -1.672 -18.274 5.871 1.00 52.43 H new ATOM 0 HA2 GLY A 56 0.129 -17.148 6.638 1.00 2.12 H new ATOM 0 HA3 GLY A 56 0.997 -17.464 5.149 1.00 2.12 H new ATOM 882 N PHE A 57 -1.439 -15.336 4.833 1.00 43.41 N ATOM 883 CA PHE A 57 -1.791 -13.951 4.555 1.00 2.12 C ATOM 884 C PHE A 57 -3.279 -13.730 4.812 1.00 22.12 C ATOM 885 O PHE A 57 -4.060 -14.680 4.791 1.00 31.05 O ATOM 886 CB PHE A 57 -1.407 -13.547 3.116 1.00 31.14 C ATOM 887 CG PHE A 57 -2.155 -14.254 2.012 1.00 62.24 C ATOM 888 CD1 PHE A 57 -1.787 -15.527 1.600 1.00 5.20 C ATOM 889 CD2 PHE A 57 -3.212 -13.629 1.367 1.00 21.31 C ATOM 890 CE1 PHE A 57 -2.458 -16.160 0.570 1.00 0.42 C ATOM 891 CE2 PHE A 57 -3.881 -14.256 0.333 1.00 23.34 C ATOM 892 CZ PHE A 57 -3.507 -15.523 -0.063 1.00 41.54 C ATOM 0 H PHE A 57 -2.224 -15.986 4.795 1.00 43.41 H new ATOM 0 HA PHE A 57 -1.222 -13.311 5.229 1.00 2.12 H new ATOM 0 HB2 PHE A 57 -1.564 -12.474 3.006 1.00 31.14 H new ATOM 0 HB3 PHE A 57 -0.341 -13.728 2.980 1.00 31.14 H new ATOM 0 HD1 PHE A 57 -0.966 -16.030 2.090 1.00 5.20 H new ATOM 0 HD2 PHE A 57 -3.516 -12.640 1.677 1.00 21.31 H new ATOM 0 HE1 PHE A 57 -2.162 -17.152 0.261 1.00 0.42 H new ATOM 0 HE2 PHE A 57 -4.697 -13.754 -0.165 1.00 23.34 H new ATOM 0 HZ PHE A 57 -4.034 -16.016 -0.867 1.00 41.54 H new ATOM 902 N GLY A 58 -3.656 -12.489 5.086 1.00 73.54 N ATOM 903 CA GLY A 58 -5.043 -12.162 5.361 1.00 11.20 C ATOM 904 C GLY A 58 -5.305 -10.677 5.223 1.00 14.13 C ATOM 905 O GLY A 58 -4.505 -9.967 4.620 1.00 15.52 O ATOM 0 H GLY A 58 -3.019 -11.694 5.123 1.00 73.54 H new ATOM 0 HA2 GLY A 58 -5.689 -12.711 4.676 1.00 11.20 H new ATOM 0 HA3 GLY A 58 -5.300 -12.485 6.370 1.00 11.20 H new ATOM 909 N PHE A 59 -6.430 -10.206 5.759 1.00 23.23 N ATOM 910 CA PHE A 59 -6.778 -8.788 5.702 1.00 25.33 C ATOM 911 C PHE A 59 -7.457 -8.356 6.994 1.00 72.30 C ATOM 912 O PHE A 59 -8.126 -9.155 7.655 1.00 42.01 O ATOM 913 CB PHE A 59 -7.737 -8.471 4.538 1.00 71.12 C ATOM 914 CG PHE A 59 -7.603 -9.359 3.336 1.00 73.54 C ATOM 915 CD1 PHE A 59 -8.326 -10.533 3.259 1.00 40.33 C ATOM 916 CD2 PHE A 59 -6.759 -9.023 2.288 1.00 45.33 C ATOM 917 CE1 PHE A 59 -8.217 -11.361 2.167 1.00 32.23 C ATOM 918 CE2 PHE A 59 -6.644 -9.849 1.185 1.00 44.11 C ATOM 919 CZ PHE A 59 -7.373 -11.022 1.126 1.00 3.10 C ATOM 0 H PHE A 59 -7.117 -10.788 6.239 1.00 23.23 H new ATOM 0 HA PHE A 59 -5.844 -8.247 5.553 1.00 25.33 H new ATOM 0 HB2 PHE A 59 -8.761 -8.536 4.905 1.00 71.12 H new ATOM 0 HB3 PHE A 59 -7.575 -7.439 4.227 1.00 71.12 H new ATOM 0 HD1 PHE A 59 -8.987 -10.805 4.069 1.00 40.33 H new ATOM 0 HD2 PHE A 59 -6.187 -8.108 2.334 1.00 45.33 H new ATOM 0 HE1 PHE A 59 -8.790 -12.275 2.122 1.00 32.23 H new ATOM 0 HE2 PHE A 59 -5.987 -9.578 0.372 1.00 44.11 H new ATOM 0 HZ PHE A 59 -7.283 -11.672 0.268 1.00 3.10 H new ATOM 929 N VAL A 60 -7.286 -7.087 7.335 1.00 4.33 N ATOM 930 CA VAL A 60 -7.992 -6.477 8.455 1.00 12.41 C ATOM 931 C VAL A 60 -8.593 -5.148 8.014 1.00 71.43 C ATOM 932 O VAL A 60 -7.924 -4.333 7.387 1.00 0.12 O ATOM 933 CB VAL A 60 -7.079 -6.246 9.690 1.00 21.43 C ATOM 934 CG1 VAL A 60 -6.763 -7.556 10.391 1.00 22.32 C ATOM 935 CG2 VAL A 60 -5.792 -5.543 9.296 1.00 64.33 C ATOM 0 H VAL A 60 -6.656 -6.452 6.845 1.00 4.33 H new ATOM 0 HA VAL A 60 -8.775 -7.173 8.758 1.00 12.41 H new ATOM 0 HB VAL A 60 -7.625 -5.606 10.383 1.00 21.43 H new ATOM 0 HG11 VAL A 60 -6.122 -7.363 11.251 1.00 22.32 H new ATOM 0 HG12 VAL A 60 -7.690 -8.022 10.726 1.00 22.32 H new ATOM 0 HG13 VAL A 60 -6.250 -8.224 9.699 1.00 22.32 H new ATOM 0 HG21 VAL A 60 -5.173 -5.395 10.181 1.00 64.33 H new ATOM 0 HG22 VAL A 60 -5.251 -6.153 8.573 1.00 64.33 H new ATOM 0 HG23 VAL A 60 -6.027 -4.576 8.851 1.00 64.33 H new ATOM 945 N THR A 61 -9.860 -4.944 8.309 1.00 4.02 N ATOM 946 CA THR A 61 -10.532 -3.715 7.931 1.00 11.24 C ATOM 947 C THR A 61 -10.767 -2.847 9.155 1.00 74.22 C ATOM 948 O THR A 61 -11.373 -3.293 10.128 1.00 72.55 O ATOM 949 CB THR A 61 -11.876 -4.004 7.238 1.00 11.34 C ATOM 950 OG1 THR A 61 -11.708 -5.080 6.306 1.00 53.30 O ATOM 951 CG2 THR A 61 -12.391 -2.771 6.505 1.00 61.31 C ATOM 0 H THR A 61 -10.446 -5.612 8.809 1.00 4.02 H new ATOM 0 HA THR A 61 -9.888 -3.187 7.228 1.00 11.24 H new ATOM 0 HB THR A 61 -12.606 -4.279 8.000 1.00 11.34 H new ATOM 0 HG1 THR A 61 -12.559 -5.256 5.853 1.00 53.30 H new ATOM 0 HG21 THR A 61 -13.341 -3.004 6.025 1.00 61.31 H new ATOM 0 HG22 THR A 61 -12.534 -1.958 7.217 1.00 61.31 H new ATOM 0 HG23 THR A 61 -11.667 -2.468 5.749 1.00 61.31 H new ATOM 959 N TYR A 62 -10.259 -1.627 9.117 1.00 64.21 N ATOM 960 CA TYR A 62 -10.438 -0.690 10.213 1.00 44.13 C ATOM 961 C TYR A 62 -11.704 0.126 10.027 1.00 12.34 C ATOM 962 O TYR A 62 -12.290 0.147 8.944 1.00 61.42 O ATOM 963 CB TYR A 62 -9.241 0.251 10.315 1.00 64.13 C ATOM 964 CG TYR A 62 -8.055 -0.322 11.056 1.00 4.01 C ATOM 965 CD1 TYR A 62 -7.068 -1.043 10.392 1.00 60.40 C ATOM 966 CD2 TYR A 62 -7.915 -0.124 12.422 1.00 42.45 C ATOM 967 CE1 TYR A 62 -5.980 -1.552 11.073 1.00 43.11 C ATOM 968 CE2 TYR A 62 -6.827 -0.628 13.107 1.00 52.44 C ATOM 969 CZ TYR A 62 -5.865 -1.339 12.428 1.00 41.01 C ATOM 970 OH TYR A 62 -4.782 -1.842 13.105 1.00 60.24 O ATOM 0 H TYR A 62 -9.717 -1.261 8.335 1.00 64.21 H new ATOM 0 HA TYR A 62 -10.521 -1.269 11.133 1.00 44.13 H new ATOM 0 HB2 TYR A 62 -8.926 0.528 9.309 1.00 64.13 H new ATOM 0 HB3 TYR A 62 -9.557 1.167 10.814 1.00 64.13 H new ATOM 0 HD1 TYR A 62 -7.154 -1.207 9.328 1.00 60.40 H new ATOM 0 HD2 TYR A 62 -8.669 0.433 12.958 1.00 42.45 H new ATOM 0 HE1 TYR A 62 -5.224 -2.114 10.545 1.00 43.11 H new ATOM 0 HE2 TYR A 62 -6.732 -0.465 14.170 1.00 52.44 H new ATOM 0 HH TYR A 62 -5.075 -2.206 13.966 1.00 60.24 H new ATOM 980 N ALA A 63 -12.120 0.789 11.096 1.00 53.55 N ATOM 981 CA ALA A 63 -13.268 1.674 11.059 1.00 70.40 C ATOM 982 C ALA A 63 -12.959 2.920 10.232 1.00 22.21 C ATOM 983 O ALA A 63 -13.723 3.294 9.344 1.00 44.22 O ATOM 984 CB ALA A 63 -13.676 2.055 12.475 1.00 73.20 C ATOM 0 H ALA A 63 -11.671 0.727 12.010 1.00 53.55 H new ATOM 0 HA ALA A 63 -14.099 1.152 10.585 1.00 70.40 H new ATOM 0 HB1 ALA A 63 -14.539 2.720 12.439 1.00 73.20 H new ATOM 0 HB2 ALA A 63 -13.934 1.155 13.034 1.00 73.20 H new ATOM 0 HB3 ALA A 63 -12.847 2.563 12.968 1.00 73.20 H new ATOM 990 N THR A 64 -11.825 3.542 10.521 1.00 73.55 N ATOM 991 CA THR A 64 -11.408 4.743 9.810 1.00 71.43 C ATOM 992 C THR A 64 -9.999 4.580 9.245 1.00 11.34 C ATOM 993 O THR A 64 -9.202 3.783 9.753 1.00 32.11 O ATOM 994 CB THR A 64 -11.430 5.970 10.740 1.00 75.43 C ATOM 995 OG1 THR A 64 -12.488 5.844 11.699 1.00 43.14 O ATOM 996 CG2 THR A 64 -11.610 7.258 9.955 1.00 42.42 C ATOM 0 H THR A 64 -11.175 3.234 11.245 1.00 73.55 H new ATOM 0 HA THR A 64 -12.113 4.895 8.992 1.00 71.43 H new ATOM 0 HB THR A 64 -10.470 6.012 11.255 1.00 75.43 H new ATOM 0 HG1 THR A 64 -12.182 5.299 12.454 1.00 43.14 H new ATOM 0 HG21 THR A 64 -11.621 8.104 10.642 1.00 42.42 H new ATOM 0 HG22 THR A 64 -10.786 7.373 9.251 1.00 42.42 H new ATOM 0 HG23 THR A 64 -12.552 7.222 9.408 1.00 42.42 H new ATOM 1004 N VAL A 65 -9.696 5.344 8.197 1.00 21.21 N ATOM 1005 CA VAL A 65 -8.377 5.322 7.578 1.00 45.34 C ATOM 1006 C VAL A 65 -7.287 5.775 8.561 1.00 62.42 C ATOM 1007 O VAL A 65 -6.179 5.249 8.546 1.00 24.30 O ATOM 1008 CB VAL A 65 -8.350 6.195 6.297 1.00 2.53 C ATOM 1009 CG1 VAL A 65 -8.700 7.644 6.600 1.00 22.45 C ATOM 1010 CG2 VAL A 65 -7.002 6.113 5.603 1.00 1.43 C ATOM 0 H VAL A 65 -10.353 5.989 7.758 1.00 21.21 H new ATOM 0 HA VAL A 65 -8.166 4.290 7.296 1.00 45.34 H new ATOM 0 HB VAL A 65 -9.109 5.797 5.623 1.00 2.53 H new ATOM 0 HG11 VAL A 65 -8.671 8.226 5.679 1.00 22.45 H new ATOM 0 HG12 VAL A 65 -9.700 7.694 7.030 1.00 22.45 H new ATOM 0 HG13 VAL A 65 -7.980 8.052 7.309 1.00 22.45 H new ATOM 0 HG21 VAL A 65 -7.015 6.736 4.709 1.00 1.43 H new ATOM 0 HG22 VAL A 65 -6.223 6.465 6.279 1.00 1.43 H new ATOM 0 HG23 VAL A 65 -6.799 5.079 5.323 1.00 1.43 H new ATOM 1020 N GLU A 66 -7.606 6.756 9.403 1.00 31.13 N ATOM 1021 CA GLU A 66 -6.691 7.238 10.436 1.00 0.22 C ATOM 1022 C GLU A 66 -6.172 6.113 11.337 1.00 24.34 C ATOM 1023 O GLU A 66 -4.977 6.059 11.635 1.00 13.04 O ATOM 1024 CB GLU A 66 -7.393 8.297 11.282 1.00 41.24 C ATOM 1025 CG GLU A 66 -8.044 9.395 10.456 1.00 53.40 C ATOM 1026 CD GLU A 66 -8.792 10.401 11.306 1.00 61.34 C ATOM 1027 OE1 GLU A 66 -9.861 10.051 11.840 1.00 13.21 O ATOM 1028 OE2 GLU A 66 -8.320 11.546 11.441 1.00 11.53 O ATOM 0 H GLU A 66 -8.505 7.239 9.389 1.00 31.13 H new ATOM 0 HA GLU A 66 -5.825 7.667 9.931 1.00 0.22 H new ATOM 0 HB2 GLU A 66 -8.154 7.815 11.896 1.00 41.24 H new ATOM 0 HB3 GLU A 66 -6.670 8.745 11.963 1.00 41.24 H new ATOM 0 HG2 GLU A 66 -7.278 9.912 9.878 1.00 53.40 H new ATOM 0 HG3 GLU A 66 -8.733 8.946 9.741 1.00 53.40 H new ATOM 1035 N GLU A 67 -7.062 5.217 11.762 1.00 64.11 N ATOM 1036 CA GLU A 67 -6.662 4.077 12.587 1.00 32.31 C ATOM 1037 C GLU A 67 -5.762 3.128 11.801 1.00 43.13 C ATOM 1038 O GLU A 67 -4.898 2.460 12.368 1.00 2.41 O ATOM 1039 CB GLU A 67 -7.880 3.312 13.102 1.00 40.40 C ATOM 1040 CG GLU A 67 -8.691 4.057 14.144 1.00 74.32 C ATOM 1041 CD GLU A 67 -9.792 4.877 13.531 1.00 63.24 C ATOM 1042 OE1 GLU A 67 -10.881 4.321 13.294 1.00 1.15 O ATOM 1043 OE2 GLU A 67 -9.579 6.078 13.287 1.00 4.20 O ATOM 0 H GLU A 67 -8.059 5.257 11.550 1.00 64.11 H new ATOM 0 HA GLU A 67 -6.109 4.472 13.440 1.00 32.31 H new ATOM 0 HB2 GLU A 67 -8.527 3.072 12.258 1.00 40.40 H new ATOM 0 HB3 GLU A 67 -7.547 2.365 13.527 1.00 40.40 H new ATOM 0 HG2 GLU A 67 -9.121 3.342 14.846 1.00 74.32 H new ATOM 0 HG3 GLU A 67 -8.031 4.709 14.717 1.00 74.32 H new ATOM 1050 N VAL A 68 -5.973 3.088 10.490 1.00 42.54 N ATOM 1051 CA VAL A 68 -5.129 2.309 9.594 1.00 42.22 C ATOM 1052 C VAL A 68 -3.703 2.844 9.595 1.00 62.44 C ATOM 1053 O VAL A 68 -2.752 2.088 9.750 1.00 5.24 O ATOM 1054 CB VAL A 68 -5.664 2.332 8.148 1.00 50.30 C ATOM 1055 CG1 VAL A 68 -4.629 1.801 7.181 1.00 4.04 C ATOM 1056 CG2 VAL A 68 -6.935 1.527 8.033 1.00 3.32 C ATOM 0 H VAL A 68 -6.728 3.590 10.022 1.00 42.54 H new ATOM 0 HA VAL A 68 -5.140 1.283 9.961 1.00 42.22 H new ATOM 0 HB VAL A 68 -5.882 3.369 7.892 1.00 50.30 H new ATOM 0 HG11 VAL A 68 -5.030 1.827 6.168 1.00 4.04 H new ATOM 0 HG12 VAL A 68 -3.732 2.419 7.232 1.00 4.04 H new ATOM 0 HG13 VAL A 68 -4.378 0.774 7.445 1.00 4.04 H new ATOM 0 HG21 VAL A 68 -7.293 1.558 7.004 1.00 3.32 H new ATOM 0 HG22 VAL A 68 -6.738 0.493 8.318 1.00 3.32 H new ATOM 0 HG23 VAL A 68 -7.693 1.947 8.694 1.00 3.32 H new ATOM 1066 N ASP A 69 -3.570 4.151 9.417 1.00 53.02 N ATOM 1067 CA ASP A 69 -2.262 4.798 9.356 1.00 54.21 C ATOM 1068 C ASP A 69 -1.449 4.553 10.623 1.00 24.01 C ATOM 1069 O ASP A 69 -0.243 4.314 10.561 1.00 35.35 O ATOM 1070 CB ASP A 69 -2.420 6.298 9.121 1.00 44.01 C ATOM 1071 CG ASP A 69 -2.620 6.639 7.653 1.00 52.00 C ATOM 1072 OD1 ASP A 69 -1.628 6.629 6.893 1.00 63.23 O ATOM 1073 OD2 ASP A 69 -3.768 6.909 7.249 1.00 11.53 O ATOM 0 H ASP A 69 -4.358 4.791 9.311 1.00 53.02 H new ATOM 0 HA ASP A 69 -1.720 4.357 8.520 1.00 54.21 H new ATOM 0 HB2 ASP A 69 -3.271 6.665 9.695 1.00 44.01 H new ATOM 0 HB3 ASP A 69 -1.537 6.816 9.494 1.00 44.01 H new ATOM 1078 N ALA A 70 -2.110 4.637 11.769 1.00 34.35 N ATOM 1079 CA ALA A 70 -1.492 4.302 13.047 1.00 72.04 C ATOM 1080 C ALA A 70 -0.972 2.860 13.097 1.00 3.15 C ATOM 1081 O ALA A 70 0.029 2.583 13.753 1.00 1.33 O ATOM 1082 CB ALA A 70 -2.480 4.551 14.168 1.00 54.53 C ATOM 0 H ALA A 70 -3.082 4.937 11.841 1.00 34.35 H new ATOM 0 HA ALA A 70 -0.622 4.947 13.169 1.00 72.04 H new ATOM 0 HB1 ALA A 70 -2.018 4.300 15.123 1.00 54.53 H new ATOM 0 HB2 ALA A 70 -2.771 5.602 14.170 1.00 54.53 H new ATOM 0 HB3 ALA A 70 -3.364 3.930 14.019 1.00 54.53 H new ATOM 1088 N ALA A 71 -1.638 1.954 12.393 1.00 43.33 N ATOM 1089 CA ALA A 71 -1.177 0.573 12.301 1.00 13.24 C ATOM 1090 C ALA A 71 -0.053 0.456 11.276 1.00 2.41 C ATOM 1091 O ALA A 71 0.872 -0.336 11.438 1.00 42.13 O ATOM 1092 CB ALA A 71 -2.320 -0.351 11.928 1.00 20.14 C ATOM 0 H ALA A 71 -2.497 2.149 11.878 1.00 43.33 H new ATOM 0 HA ALA A 71 -0.796 0.275 13.278 1.00 13.24 H new ATOM 0 HB1 ALA A 71 -1.954 -1.376 11.865 1.00 20.14 H new ATOM 0 HB2 ALA A 71 -3.100 -0.290 12.687 1.00 20.14 H new ATOM 0 HB3 ALA A 71 -2.730 -0.052 10.963 1.00 20.14 H new ATOM 1098 N MET A 72 -0.143 1.267 10.226 1.00 1.24 N ATOM 1099 CA MET A 72 0.864 1.300 9.171 1.00 42.05 C ATOM 1100 C MET A 72 2.207 1.743 9.731 1.00 63.41 C ATOM 1101 O MET A 72 3.224 1.089 9.517 1.00 52.05 O ATOM 1102 CB MET A 72 0.437 2.258 8.050 1.00 22.44 C ATOM 1103 CG MET A 72 -0.821 1.840 7.297 1.00 52.53 C ATOM 1104 SD MET A 72 -0.491 0.814 5.848 1.00 74.22 S ATOM 1105 CE MET A 72 0.048 -0.710 6.606 1.00 75.35 C ATOM 0 H MET A 72 -0.915 1.919 10.083 1.00 1.24 H new ATOM 0 HA MET A 72 0.960 0.294 8.764 1.00 42.05 H new ATOM 0 HB2 MET A 72 0.275 3.247 8.478 1.00 22.44 H new ATOM 0 HB3 MET A 72 1.257 2.349 7.337 1.00 22.44 H new ATOM 0 HG2 MET A 72 -1.476 1.294 7.976 1.00 52.53 H new ATOM 0 HG3 MET A 72 -1.360 2.734 6.983 1.00 52.53 H new ATOM 0 HE1 MET A 72 -0.232 -1.551 5.972 1.00 75.35 H new ATOM 0 HE2 MET A 72 1.131 -0.693 6.728 1.00 75.35 H new ATOM 0 HE3 MET A 72 -0.425 -0.818 7.582 1.00 75.35 H new ATOM 1115 N ASN A 73 2.189 2.841 10.477 1.00 62.44 N ATOM 1116 CA ASN A 73 3.403 3.411 11.056 1.00 44.41 C ATOM 1117 C ASN A 73 3.949 2.525 12.182 1.00 62.24 C ATOM 1118 O ASN A 73 5.148 2.518 12.447 1.00 52.40 O ATOM 1119 CB ASN A 73 3.129 4.848 11.549 1.00 33.23 C ATOM 1120 CG ASN A 73 3.070 4.988 13.063 1.00 65.43 C ATOM 1121 OD1 ASN A 73 1.878 4.891 13.618 1.00 23.01 O flip ATOM 1122 ND2 ASN A 73 4.085 5.201 13.724 1.00 60.21 N flip ATOM 0 H ASN A 73 1.339 3.360 10.698 1.00 62.44 H new ATOM 0 HA ASN A 73 4.170 3.455 10.283 1.00 44.41 H new ATOM 0 HB2 ASN A 73 3.908 5.507 11.165 1.00 33.23 H new ATOM 0 HB3 ASN A 73 2.185 5.191 11.127 1.00 33.23 H new ATOM 0 HD21 ASN A 73 4.991 5.270 13.260 1.00 60.21 H new ATOM 0 HD22 ASN A 73 4.021 5.309 14.736 1.00 60.21 H new ATOM 1129 N ALA A 74 3.057 1.769 12.822 1.00 4.40 N ATOM 1130 CA ALA A 74 3.432 0.888 13.930 1.00 42.05 C ATOM 1131 C ALA A 74 4.227 -0.338 13.475 1.00 30.05 C ATOM 1132 O ALA A 74 4.668 -1.128 14.307 1.00 20.04 O ATOM 1133 CB ALA A 74 2.197 0.446 14.691 1.00 32.14 C ATOM 0 H ALA A 74 2.064 1.749 12.591 1.00 4.40 H new ATOM 0 HA ALA A 74 4.084 1.469 14.583 1.00 42.05 H new ATOM 0 HB1 ALA A 74 2.490 -0.208 15.512 1.00 32.14 H new ATOM 0 HB2 ALA A 74 1.683 1.321 15.090 1.00 32.14 H new ATOM 0 HB3 ALA A 74 1.529 -0.092 14.019 1.00 32.14 H new ATOM 1139 N ARG A 75 4.375 -0.513 12.164 1.00 3.45 N ATOM 1140 CA ARG A 75 5.218 -1.576 11.616 1.00 71.23 C ATOM 1141 C ARG A 75 6.658 -1.463 12.116 1.00 43.33 C ATOM 1142 O ARG A 75 7.150 -0.361 12.351 1.00 73.11 O ATOM 1143 CB ARG A 75 5.197 -1.530 10.092 1.00 33.03 C ATOM 1144 CG ARG A 75 3.969 -2.182 9.490 1.00 23.44 C ATOM 1145 CD ARG A 75 3.915 -2.009 7.982 1.00 20.41 C ATOM 1146 NE ARG A 75 5.164 -2.397 7.331 1.00 73.10 N ATOM 1147 CZ ARG A 75 5.969 -1.558 6.683 1.00 75.30 C ATOM 1148 NH1 ARG A 75 5.663 -0.269 6.588 1.00 74.35 N ATOM 1149 NH2 ARG A 75 7.074 -2.019 6.118 1.00 54.51 N ATOM 0 H ARG A 75 3.922 0.068 11.459 1.00 3.45 H new ATOM 0 HA ARG A 75 4.814 -2.529 11.958 1.00 71.23 H new ATOM 0 HB2 ARG A 75 5.245 -0.491 9.766 1.00 33.03 H new ATOM 0 HB3 ARG A 75 6.088 -2.026 9.708 1.00 33.03 H new ATOM 0 HG2 ARG A 75 3.966 -3.244 9.733 1.00 23.44 H new ATOM 0 HG3 ARG A 75 3.073 -1.750 9.937 1.00 23.44 H new ATOM 0 HD2 ARG A 75 3.098 -2.607 7.580 1.00 20.41 H new ATOM 0 HD3 ARG A 75 3.694 -0.968 7.746 1.00 20.41 H new ATOM 0 HE ARG A 75 5.438 -3.378 7.376 1.00 73.10 H new ATOM 0 HH11 ARG A 75 4.806 0.084 7.013 1.00 74.35 H new ATOM 0 HH12 ARG A 75 6.285 0.367 6.090 1.00 74.35 H new ATOM 0 HH21 ARG A 75 7.303 -3.011 6.181 1.00 54.51 H new ATOM 0 HH22 ARG A 75 7.696 -1.382 5.620 1.00 54.51 H new ATOM 1163 N PRO A 76 7.367 -2.595 12.272 1.00 12.42 N ATOM 1164 CA PRO A 76 6.854 -3.933 11.943 1.00 0.55 C ATOM 1165 C PRO A 76 5.884 -4.489 12.991 1.00 50.14 C ATOM 1166 O PRO A 76 5.791 -3.975 14.106 1.00 40.42 O ATOM 1167 CB PRO A 76 8.125 -4.780 11.889 1.00 11.23 C ATOM 1168 CG PRO A 76 9.075 -4.115 12.819 1.00 24.14 C ATOM 1169 CD PRO A 76 8.754 -2.647 12.776 1.00 53.42 C ATOM 0 HA PRO A 76 6.275 -3.926 11.020 1.00 0.55 H new ATOM 0 HB2 PRO A 76 7.927 -5.807 12.196 1.00 11.23 H new ATOM 0 HB3 PRO A 76 8.528 -4.821 10.877 1.00 11.23 H new ATOM 0 HG2 PRO A 76 8.967 -4.507 13.830 1.00 24.14 H new ATOM 0 HG3 PRO A 76 10.106 -4.296 12.516 1.00 24.14 H new ATOM 0 HD2 PRO A 76 8.837 -2.192 13.763 1.00 53.42 H new ATOM 0 HD3 PRO A 76 9.437 -2.109 12.119 1.00 53.42 H new ATOM 1177 N HIS A 77 5.168 -5.541 12.616 1.00 61.52 N ATOM 1178 CA HIS A 77 4.181 -6.160 13.499 1.00 52.31 C ATOM 1179 C HIS A 77 4.475 -7.634 13.697 1.00 31.24 C ATOM 1180 O HIS A 77 5.157 -8.256 12.884 1.00 44.32 O ATOM 1181 CB HIS A 77 2.766 -6.001 12.945 1.00 33.11 C ATOM 1182 CG HIS A 77 2.189 -4.637 13.125 1.00 31.04 C ATOM 1183 ND1 HIS A 77 1.411 -4.327 14.208 1.00 40.14 N ATOM 1184 CD2 HIS A 77 2.285 -3.556 12.326 1.00 2.14 C ATOM 1185 CE1 HIS A 77 1.050 -3.069 14.039 1.00 64.10 C ATOM 1186 NE2 HIS A 77 1.557 -2.562 12.912 1.00 33.44 N ATOM 0 H HIS A 77 5.251 -5.987 11.702 1.00 61.52 H new ATOM 0 HA HIS A 77 4.247 -5.649 14.460 1.00 52.31 H new ATOM 0 HB2 HIS A 77 2.775 -6.242 11.882 1.00 33.11 H new ATOM 0 HB3 HIS A 77 2.114 -6.726 13.431 1.00 33.11 H new ATOM 0 HD2 HIS A 77 2.834 -3.489 11.398 1.00 2.14 H new ATOM 0 HE1 HIS A 77 0.424 -2.519 14.725 1.00 64.10 H new ATOM 0 HE2 HIS A 77 1.425 -1.615 12.558 1.00 33.44 H new ATOM 1194 N LYS A 78 3.962 -8.189 14.783 1.00 13.40 N ATOM 1195 CA LYS A 78 4.135 -9.600 15.063 1.00 73.24 C ATOM 1196 C LYS A 78 2.854 -10.223 15.619 1.00 52.13 C ATOM 1197 O LYS A 78 2.496 -10.012 16.777 1.00 2.43 O ATOM 1198 CB LYS A 78 5.308 -9.812 16.026 1.00 1.55 C ATOM 1199 CG LYS A 78 5.422 -11.240 16.515 1.00 14.54 C ATOM 1200 CD LYS A 78 6.854 -11.620 16.857 1.00 24.14 C ATOM 1201 CE LYS A 78 7.635 -12.033 15.619 1.00 53.30 C ATOM 1202 NZ LYS A 78 9.020 -12.461 15.954 1.00 4.13 N ATOM 0 H LYS A 78 3.422 -7.681 15.484 1.00 13.40 H new ATOM 0 HA LYS A 78 4.361 -10.104 14.123 1.00 73.24 H new ATOM 0 HB2 LYS A 78 6.235 -9.529 15.528 1.00 1.55 H new ATOM 0 HB3 LYS A 78 5.192 -9.149 16.883 1.00 1.55 H new ATOM 0 HG2 LYS A 78 4.793 -11.371 17.396 1.00 14.54 H new ATOM 0 HG3 LYS A 78 5.042 -11.916 15.749 1.00 14.54 H new ATOM 0 HD2 LYS A 78 7.350 -10.776 17.336 1.00 24.14 H new ATOM 0 HD3 LYS A 78 6.852 -12.439 17.576 1.00 24.14 H new ATOM 0 HE2 LYS A 78 7.115 -12.848 15.117 1.00 53.30 H new ATOM 0 HE3 LYS A 78 7.672 -11.199 14.918 1.00 53.30 H new ATOM 0 HZ1 LYS A 78 9.519 -12.734 15.083 1.00 4.13 H new ATOM 0 HZ2 LYS A 78 9.525 -11.675 16.410 1.00 4.13 H new ATOM 0 HZ3 LYS A 78 8.985 -13.273 16.603 1.00 4.13 H new ATOM 1216 N VAL A 79 2.171 -10.989 14.777 1.00 21.15 N ATOM 1217 CA VAL A 79 0.966 -11.704 15.182 1.00 74.14 C ATOM 1218 C VAL A 79 1.264 -13.195 15.271 1.00 63.24 C ATOM 1219 O VAL A 79 1.826 -13.761 14.334 1.00 4.21 O ATOM 1220 CB VAL A 79 -0.199 -11.500 14.182 1.00 44.40 C ATOM 1221 CG1 VAL A 79 -1.503 -12.045 14.747 1.00 3.32 C ATOM 1222 CG2 VAL A 79 -0.353 -10.035 13.808 1.00 43.35 C ATOM 0 H VAL A 79 2.434 -11.132 13.802 1.00 21.15 H new ATOM 0 HA VAL A 79 0.664 -11.304 16.150 1.00 74.14 H new ATOM 0 HB VAL A 79 0.043 -12.057 13.277 1.00 44.40 H new ATOM 0 HG11 VAL A 79 -2.305 -11.889 14.026 1.00 3.32 H new ATOM 0 HG12 VAL A 79 -1.396 -13.111 14.946 1.00 3.32 H new ATOM 0 HG13 VAL A 79 -1.743 -11.525 15.674 1.00 3.32 H new ATOM 0 HG21 VAL A 79 -1.179 -9.924 13.105 1.00 43.35 H new ATOM 0 HG22 VAL A 79 -0.559 -9.450 14.705 1.00 43.35 H new ATOM 0 HG23 VAL A 79 0.568 -9.679 13.346 1.00 43.35 H new ATOM 1232 N ASP A 80 0.915 -13.812 16.407 1.00 12.42 N ATOM 1233 CA ASP A 80 1.089 -15.259 16.620 1.00 22.45 C ATOM 1234 C ASP A 80 2.566 -15.652 16.640 1.00 15.13 C ATOM 1235 O ASP A 80 2.928 -16.763 16.253 1.00 54.42 O ATOM 1236 CB ASP A 80 0.355 -16.077 15.546 1.00 54.34 C ATOM 1237 CG ASP A 80 -1.120 -16.246 15.835 1.00 61.42 C ATOM 1238 OD1 ASP A 80 -1.465 -17.088 16.688 1.00 20.13 O ATOM 1239 OD2 ASP A 80 -1.938 -15.553 15.209 1.00 15.25 O ATOM 0 H ASP A 80 0.505 -13.326 17.204 1.00 12.42 H new ATOM 0 HA ASP A 80 0.655 -15.485 17.594 1.00 22.45 H new ATOM 0 HB2 ASP A 80 0.476 -15.588 14.579 1.00 54.34 H new ATOM 0 HB3 ASP A 80 0.819 -17.060 15.466 1.00 54.34 H new ATOM 1244 N GLY A 81 3.412 -14.741 17.101 1.00 15.32 N ATOM 1245 CA GLY A 81 4.840 -15.000 17.139 1.00 3.03 C ATOM 1246 C GLY A 81 5.458 -14.962 15.755 1.00 21.11 C ATOM 1247 O GLY A 81 6.536 -15.507 15.523 1.00 51.55 O ATOM 0 H GLY A 81 3.135 -13.824 17.451 1.00 15.32 H new ATOM 0 HA2 GLY A 81 5.326 -14.260 17.774 1.00 3.03 H new ATOM 0 HA3 GLY A 81 5.020 -15.976 17.591 1.00 3.03 H new ATOM 1251 N ARG A 82 4.771 -14.302 14.839 1.00 3.11 N ATOM 1252 CA ARG A 82 5.192 -14.234 13.452 1.00 25.40 C ATOM 1253 C ARG A 82 5.327 -12.782 13.014 1.00 42.12 C ATOM 1254 O ARG A 82 4.465 -11.967 13.319 1.00 43.33 O ATOM 1255 CB ARG A 82 4.156 -14.939 12.583 1.00 51.13 C ATOM 1256 CG ARG A 82 4.544 -15.028 11.128 1.00 31.35 C ATOM 1257 CD ARG A 82 5.314 -16.301 10.845 1.00 50.42 C ATOM 1258 NE ARG A 82 5.609 -16.460 9.427 1.00 23.12 N ATOM 1259 CZ ARG A 82 6.412 -17.401 8.937 1.00 43.33 C ATOM 1260 NH1 ARG A 82 7.005 -18.264 9.756 1.00 71.10 N ATOM 1261 NH2 ARG A 82 6.627 -17.477 7.632 1.00 60.22 N ATOM 0 H ARG A 82 3.906 -13.799 15.036 1.00 3.11 H new ATOM 0 HA ARG A 82 6.160 -14.723 13.344 1.00 25.40 H new ATOM 0 HB2 ARG A 82 3.995 -15.946 12.969 1.00 51.13 H new ATOM 0 HB3 ARG A 82 3.206 -14.411 12.665 1.00 51.13 H new ATOM 0 HG2 ARG A 82 3.649 -14.995 10.507 1.00 31.35 H new ATOM 0 HG3 ARG A 82 5.151 -14.164 10.857 1.00 31.35 H new ATOM 0 HD2 ARG A 82 6.246 -16.293 11.410 1.00 50.42 H new ATOM 0 HD3 ARG A 82 4.737 -17.158 11.193 1.00 50.42 H new ATOM 0 HE ARG A 82 5.174 -15.811 8.771 1.00 23.12 H new ATOM 0 HH11 ARG A 82 6.845 -18.205 10.762 1.00 71.10 H new ATOM 0 HH12 ARG A 82 7.620 -18.985 9.379 1.00 71.10 H new ATOM 0 HH21 ARG A 82 6.177 -16.814 7.001 1.00 60.22 H new ATOM 0 HH22 ARG A 82 7.243 -18.199 7.258 1.00 60.22 H new ATOM 1275 N VAL A 83 6.401 -12.464 12.303 1.00 62.43 N ATOM 1276 CA VAL A 83 6.593 -11.111 11.796 1.00 23.43 C ATOM 1277 C VAL A 83 5.693 -10.897 10.586 1.00 34.10 C ATOM 1278 O VAL A 83 5.932 -11.465 9.520 1.00 61.30 O ATOM 1279 CB VAL A 83 8.052 -10.825 11.378 1.00 0.21 C ATOM 1280 CG1 VAL A 83 8.203 -9.365 10.983 1.00 75.31 C ATOM 1281 CG2 VAL A 83 9.029 -11.178 12.486 1.00 23.25 C ATOM 0 H VAL A 83 7.147 -13.118 12.066 1.00 62.43 H new ATOM 0 HA VAL A 83 6.342 -10.429 12.608 1.00 23.43 H new ATOM 0 HB VAL A 83 8.286 -11.455 10.520 1.00 0.21 H new ATOM 0 HG11 VAL A 83 9.235 -9.172 10.690 1.00 75.31 H new ATOM 0 HG12 VAL A 83 7.541 -9.144 10.146 1.00 75.31 H new ATOM 0 HG13 VAL A 83 7.942 -8.730 11.830 1.00 75.31 H new ATOM 0 HG21 VAL A 83 10.046 -10.964 12.157 1.00 23.25 H new ATOM 0 HG22 VAL A 83 8.803 -10.586 13.373 1.00 23.25 H new ATOM 0 HG23 VAL A 83 8.941 -12.238 12.725 1.00 23.25 H new ATOM 1291 N VAL A 84 4.652 -10.103 10.757 1.00 11.13 N ATOM 1292 CA VAL A 84 3.678 -9.894 9.697 1.00 53.41 C ATOM 1293 C VAL A 84 3.877 -8.540 9.036 1.00 31.45 C ATOM 1294 O VAL A 84 4.327 -7.581 9.668 1.00 14.04 O ATOM 1295 CB VAL A 84 2.224 -10.022 10.216 1.00 2.23 C ATOM 1296 CG1 VAL A 84 2.084 -11.242 11.110 1.00 53.00 C ATOM 1297 CG2 VAL A 84 1.774 -8.764 10.946 1.00 33.31 C ATOM 0 H VAL A 84 4.458 -9.592 11.618 1.00 11.13 H new ATOM 0 HA VAL A 84 3.841 -10.677 8.956 1.00 53.41 H new ATOM 0 HB VAL A 84 1.573 -10.147 9.350 1.00 2.23 H new ATOM 0 HG11 VAL A 84 1.056 -11.316 11.466 1.00 53.00 H new ATOM 0 HG12 VAL A 84 2.338 -12.139 10.545 1.00 53.00 H new ATOM 0 HG13 VAL A 84 2.757 -11.148 11.962 1.00 53.00 H new ATOM 0 HG21 VAL A 84 0.749 -8.893 11.295 1.00 33.31 H new ATOM 0 HG22 VAL A 84 2.428 -8.585 11.799 1.00 33.31 H new ATOM 0 HG23 VAL A 84 1.822 -7.913 10.267 1.00 33.31 H new ATOM 1307 N GLU A 85 3.565 -8.487 7.759 1.00 54.53 N ATOM 1308 CA GLU A 85 3.695 -7.269 6.984 1.00 25.44 C ATOM 1309 C GLU A 85 2.324 -6.727 6.588 1.00 34.13 C ATOM 1310 O GLU A 85 1.741 -7.171 5.598 1.00 0.31 O ATOM 1311 CB GLU A 85 4.524 -7.538 5.728 1.00 34.24 C ATOM 1312 CG GLU A 85 5.236 -6.306 5.193 1.00 62.22 C ATOM 1313 CD GLU A 85 6.280 -5.776 6.149 1.00 41.52 C ATOM 1314 OE1 GLU A 85 5.934 -4.969 7.030 1.00 40.12 O ATOM 1315 OE2 GLU A 85 7.457 -6.161 6.018 1.00 4.43 O ATOM 0 H GLU A 85 3.215 -9.285 7.228 1.00 54.53 H new ATOM 0 HA GLU A 85 4.197 -6.523 7.600 1.00 25.44 H new ATOM 0 HB2 GLU A 85 5.264 -8.307 5.949 1.00 34.24 H new ATOM 0 HB3 GLU A 85 3.872 -7.937 4.951 1.00 34.24 H new ATOM 0 HG2 GLU A 85 5.710 -6.549 4.242 1.00 62.22 H new ATOM 0 HG3 GLU A 85 4.502 -5.525 4.993 1.00 62.22 H new ATOM 1322 N PRO A 86 1.770 -5.788 7.371 1.00 14.52 N ATOM 1323 CA PRO A 86 0.535 -5.113 7.005 1.00 62.20 C ATOM 1324 C PRO A 86 0.776 -4.078 5.916 1.00 72.10 C ATOM 1325 O PRO A 86 1.704 -3.269 5.998 1.00 54.32 O ATOM 1326 CB PRO A 86 0.071 -4.449 8.301 1.00 60.54 C ATOM 1327 CG PRO A 86 1.278 -4.338 9.166 1.00 2.14 C ATOM 1328 CD PRO A 86 2.299 -5.328 8.664 1.00 63.42 C ATOM 0 HA PRO A 86 -0.208 -5.800 6.600 1.00 62.20 H new ATOM 0 HB2 PRO A 86 -0.358 -3.467 8.103 1.00 60.54 H new ATOM 0 HB3 PRO A 86 -0.703 -5.043 8.787 1.00 60.54 H new ATOM 0 HG2 PRO A 86 1.680 -3.325 9.133 1.00 2.14 H new ATOM 0 HG3 PRO A 86 1.023 -4.546 10.205 1.00 2.14 H new ATOM 0 HD2 PRO A 86 3.278 -4.863 8.548 1.00 63.42 H new ATOM 0 HD3 PRO A 86 2.421 -6.158 9.360 1.00 63.42 H new ATOM 1336 N LYS A 87 -0.042 -4.139 4.886 1.00 25.34 N ATOM 1337 CA LYS A 87 0.078 -3.253 3.740 1.00 1.12 C ATOM 1338 C LYS A 87 -1.297 -2.789 3.326 1.00 33.15 C ATOM 1339 O LYS A 87 -2.284 -3.200 3.914 1.00 2.21 O ATOM 1340 CB LYS A 87 0.780 -3.962 2.571 1.00 41.11 C ATOM 1341 CG LYS A 87 2.089 -4.623 2.971 1.00 43.00 C ATOM 1342 CD LYS A 87 3.002 -4.875 1.788 1.00 10.52 C ATOM 1343 CE LYS A 87 3.814 -6.134 2.012 1.00 20.15 C ATOM 1344 NZ LYS A 87 4.707 -6.439 0.873 1.00 21.22 N ATOM 0 H LYS A 87 -0.812 -4.805 4.817 1.00 25.34 H new ATOM 0 HA LYS A 87 0.684 -2.391 4.018 1.00 1.12 H new ATOM 0 HB2 LYS A 87 0.111 -4.717 2.158 1.00 41.11 H new ATOM 0 HB3 LYS A 87 0.973 -3.239 1.779 1.00 41.11 H new ATOM 0 HG2 LYS A 87 2.604 -3.991 3.694 1.00 43.00 H new ATOM 0 HG3 LYS A 87 1.876 -5.569 3.469 1.00 43.00 H new ATOM 0 HD2 LYS A 87 2.411 -4.972 0.877 1.00 10.52 H new ATOM 0 HD3 LYS A 87 3.668 -4.024 1.646 1.00 10.52 H new ATOM 0 HE2 LYS A 87 4.410 -6.022 2.918 1.00 20.15 H new ATOM 0 HE3 LYS A 87 3.139 -6.974 2.176 1.00 20.15 H new ATOM 0 HZ1 LYS A 87 5.059 -7.414 0.959 1.00 21.22 H new ATOM 0 HZ2 LYS A 87 4.180 -6.339 -0.018 1.00 21.22 H new ATOM 0 HZ3 LYS A 87 5.511 -5.779 0.876 1.00 21.22 H new ATOM 1358 N ARG A 88 -1.372 -1.935 2.332 1.00 1.23 N ATOM 1359 CA ARG A 88 -2.656 -1.447 1.866 1.00 51.34 C ATOM 1360 C ARG A 88 -3.337 -2.505 1.008 1.00 55.14 C ATOM 1361 O ARG A 88 -2.677 -3.219 0.251 1.00 75.52 O ATOM 1362 CB ARG A 88 -2.461 -0.160 1.072 1.00 33.13 C ATOM 1363 CG ARG A 88 -3.752 0.532 0.660 1.00 34.41 C ATOM 1364 CD ARG A 88 -4.534 1.023 1.866 1.00 23.53 C ATOM 1365 NE ARG A 88 -3.721 1.870 2.743 1.00 21.21 N ATOM 1366 CZ ARG A 88 -4.210 2.563 3.765 1.00 11.34 C ATOM 1367 NH1 ARG A 88 -5.508 2.517 4.039 1.00 61.44 N ATOM 1368 NH2 ARG A 88 -3.396 3.285 4.528 1.00 72.44 N ATOM 0 H ARG A 88 -0.565 -1.563 1.830 1.00 1.23 H new ATOM 0 HA ARG A 88 -3.293 -1.236 2.725 1.00 51.34 H new ATOM 0 HB2 ARG A 88 -1.867 0.533 1.668 1.00 33.13 H new ATOM 0 HB3 ARG A 88 -1.883 -0.386 0.176 1.00 33.13 H new ATOM 0 HG2 ARG A 88 -3.522 1.374 0.008 1.00 34.41 H new ATOM 0 HG3 ARG A 88 -4.367 -0.159 0.083 1.00 34.41 H new ATOM 0 HD2 ARG A 88 -5.406 1.583 1.528 1.00 23.53 H new ATOM 0 HD3 ARG A 88 -4.904 0.167 2.431 1.00 23.53 H new ATOM 0 HE ARG A 88 -2.720 1.931 2.557 1.00 21.21 H new ATOM 0 HH11 ARG A 88 -6.131 1.949 3.464 1.00 61.44 H new ATOM 0 HH12 ARG A 88 -5.883 3.050 4.824 1.00 61.44 H new ATOM 0 HH21 ARG A 88 -2.396 3.307 4.329 1.00 72.44 H new ATOM 0 HH22 ARG A 88 -3.771 3.817 5.313 1.00 72.44 H new ATOM 1382 N ALA A 89 -4.644 -2.653 1.181 1.00 61.45 N ATOM 1383 CA ALA A 89 -5.429 -3.502 0.301 1.00 20.11 C ATOM 1384 C ALA A 89 -5.506 -2.888 -1.091 1.00 61.45 C ATOM 1385 O ALA A 89 -6.361 -2.043 -1.366 1.00 50.05 O ATOM 1386 CB ALA A 89 -6.818 -3.721 0.871 1.00 2.34 C ATOM 0 H ALA A 89 -5.179 -2.197 1.920 1.00 61.45 H new ATOM 0 HA ALA A 89 -4.939 -4.472 0.223 1.00 20.11 H new ATOM 0 HB1 ALA A 89 -7.391 -4.359 0.198 1.00 2.34 H new ATOM 0 HB2 ALA A 89 -6.739 -4.201 1.847 1.00 2.34 H new ATOM 0 HB3 ALA A 89 -7.323 -2.761 0.978 1.00 2.34 H new ATOM 1392 N VAL A 90 -4.572 -3.305 -1.939 1.00 74.23 N ATOM 1393 CA VAL A 90 -4.472 -2.821 -3.310 1.00 13.31 C ATOM 1394 C VAL A 90 -5.751 -3.098 -4.098 1.00 71.24 C ATOM 1395 O VAL A 90 -6.326 -4.188 -4.006 1.00 33.15 O ATOM 1396 CB VAL A 90 -3.285 -3.485 -4.051 1.00 51.22 C ATOM 1397 CG1 VAL A 90 -2.966 -2.740 -5.333 1.00 65.20 C ATOM 1398 CG2 VAL A 90 -2.049 -3.567 -3.169 1.00 21.01 C ATOM 0 H VAL A 90 -3.859 -3.992 -1.693 1.00 74.23 H new ATOM 0 HA VAL A 90 -4.313 -1.744 -3.249 1.00 13.31 H new ATOM 0 HB VAL A 90 -3.587 -4.502 -4.301 1.00 51.22 H new ATOM 0 HG11 VAL A 90 -2.129 -3.224 -5.837 1.00 65.20 H new ATOM 0 HG12 VAL A 90 -3.838 -2.751 -5.987 1.00 65.20 H new ATOM 0 HG13 VAL A 90 -2.701 -1.709 -5.098 1.00 65.20 H new ATOM 0 HG21 VAL A 90 -1.237 -4.039 -3.723 1.00 21.01 H new ATOM 0 HG22 VAL A 90 -1.749 -2.563 -2.869 1.00 21.01 H new ATOM 0 HG23 VAL A 90 -2.274 -4.158 -2.281 1.00 21.01 H new ATOM 1408 N SER A 91 -6.190 -2.096 -4.859 1.00 11.12 N ATOM 1409 CA SER A 91 -7.320 -2.236 -5.768 1.00 25.51 C ATOM 1410 C SER A 91 -7.013 -3.309 -6.811 1.00 22.11 C ATOM 1411 O SER A 91 -5.866 -3.459 -7.222 1.00 3.24 O ATOM 1412 CB SER A 91 -7.585 -0.897 -6.451 1.00 42.54 C ATOM 1413 OG SER A 91 -7.287 0.175 -5.580 1.00 11.11 O ATOM 0 H SER A 91 -5.771 -1.166 -4.861 1.00 11.12 H new ATOM 0 HA SER A 91 -8.207 -2.535 -5.209 1.00 25.51 H new ATOM 0 HB2 SER A 91 -6.980 -0.818 -7.354 1.00 42.54 H new ATOM 0 HB3 SER A 91 -8.629 -0.841 -6.761 1.00 42.54 H new ATOM 0 HG SER A 91 -8.100 0.444 -5.103 1.00 11.11 H new ATOM 1419 N ARG A 92 -8.039 -4.032 -7.252 1.00 73.02 N ATOM 1420 CA ARG A 92 -7.854 -5.209 -8.109 1.00 64.41 C ATOM 1421 C ARG A 92 -7.234 -4.876 -9.467 1.00 33.51 C ATOM 1422 O ARG A 92 -6.672 -5.753 -10.122 1.00 44.31 O ATOM 1423 CB ARG A 92 -9.183 -5.944 -8.303 1.00 45.32 C ATOM 1424 CG ARG A 92 -9.654 -6.687 -7.060 1.00 15.24 C ATOM 1425 CD ARG A 92 -8.691 -7.801 -6.679 1.00 2.21 C ATOM 1426 NE ARG A 92 -9.088 -8.481 -5.449 1.00 62.54 N ATOM 1427 CZ ARG A 92 -8.328 -9.375 -4.816 1.00 1.24 C ATOM 1428 NH1 ARG A 92 -7.129 -9.699 -5.292 1.00 1.43 N ATOM 1429 NH2 ARG A 92 -8.765 -9.941 -3.702 1.00 1.01 N ATOM 0 H ARG A 92 -9.013 -3.825 -7.031 1.00 73.02 H new ATOM 0 HA ARG A 92 -7.147 -5.857 -7.592 1.00 64.41 H new ATOM 0 HB2 ARG A 92 -9.947 -5.225 -8.598 1.00 45.32 H new ATOM 0 HB3 ARG A 92 -9.080 -6.654 -9.124 1.00 45.32 H new ATOM 0 HG2 ARG A 92 -9.749 -5.987 -6.230 1.00 15.24 H new ATOM 0 HG3 ARG A 92 -10.644 -7.106 -7.238 1.00 15.24 H new ATOM 0 HD2 ARG A 92 -8.638 -8.526 -7.491 1.00 2.21 H new ATOM 0 HD3 ARG A 92 -7.690 -7.387 -6.556 1.00 2.21 H new ATOM 0 HE ARG A 92 -10.000 -8.259 -5.051 1.00 62.54 H new ATOM 0 HH11 ARG A 92 -6.785 -9.263 -6.147 1.00 1.43 H new ATOM 0 HH12 ARG A 92 -6.554 -10.384 -4.802 1.00 1.43 H new ATOM 0 HH21 ARG A 92 -9.682 -9.693 -3.329 1.00 1.01 H new ATOM 0 HH22 ARG A 92 -8.185 -10.625 -3.216 1.00 1.01 H new ATOM 1443 N GLU A 93 -7.333 -3.623 -9.886 1.00 30.41 N ATOM 1444 CA GLU A 93 -6.687 -3.181 -11.116 1.00 53.44 C ATOM 1445 C GLU A 93 -5.166 -3.206 -10.966 1.00 45.22 C ATOM 1446 O GLU A 93 -4.459 -3.738 -11.819 1.00 3.34 O ATOM 1447 CB GLU A 93 -7.141 -1.771 -11.489 1.00 65.23 C ATOM 1448 CG GLU A 93 -8.577 -1.689 -11.973 1.00 10.03 C ATOM 1449 CD GLU A 93 -8.981 -0.270 -12.310 1.00 44.23 C ATOM 1450 OE1 GLU A 93 -8.532 0.660 -11.611 1.00 64.31 O ATOM 1451 OE2 GLU A 93 -9.726 -0.069 -13.293 1.00 51.34 O ATOM 0 H GLU A 93 -7.852 -2.895 -9.395 1.00 30.41 H new ATOM 0 HA GLU A 93 -6.977 -3.868 -11.911 1.00 53.44 H new ATOM 0 HB2 GLU A 93 -7.024 -1.122 -10.621 1.00 65.23 H new ATOM 0 HB3 GLU A 93 -6.484 -1.384 -12.268 1.00 65.23 H new ATOM 0 HG2 GLU A 93 -8.699 -2.320 -12.854 1.00 10.03 H new ATOM 0 HG3 GLU A 93 -9.242 -2.082 -11.204 1.00 10.03 H new ATOM 1458 N ASP A 94 -4.674 -2.646 -9.867 1.00 60.22 N ATOM 1459 CA ASP A 94 -3.236 -2.581 -9.619 1.00 1.40 C ATOM 1460 C ASP A 94 -2.744 -3.898 -9.034 1.00 44.32 C ATOM 1461 O ASP A 94 -1.616 -4.313 -9.275 1.00 11.12 O ATOM 1462 CB ASP A 94 -2.908 -1.421 -8.677 1.00 50.13 C ATOM 1463 CG ASP A 94 -1.419 -1.144 -8.585 1.00 21.42 C ATOM 1464 OD1 ASP A 94 -0.883 -0.466 -9.491 1.00 21.43 O ATOM 1465 OD2 ASP A 94 -0.788 -1.594 -7.603 1.00 2.41 O ATOM 0 H ASP A 94 -5.248 -2.230 -9.133 1.00 60.22 H new ATOM 0 HA ASP A 94 -2.726 -2.408 -10.567 1.00 1.40 H new ATOM 0 HB2 ASP A 94 -3.420 -0.523 -9.022 1.00 50.13 H new ATOM 0 HB3 ASP A 94 -3.294 -1.646 -7.683 1.00 50.13 H new ATOM 1470 N SER A 95 -3.629 -4.579 -8.306 1.00 30.01 N ATOM 1471 CA SER A 95 -3.328 -5.880 -7.709 1.00 13.12 C ATOM 1472 C SER A 95 -3.256 -6.973 -8.781 1.00 1.21 C ATOM 1473 O SER A 95 -2.965 -8.131 -8.487 1.00 33.11 O ATOM 1474 CB SER A 95 -4.393 -6.237 -6.662 1.00 51.33 C ATOM 1475 OG SER A 95 -3.995 -7.335 -5.858 1.00 52.51 O ATOM 0 H SER A 95 -4.573 -4.245 -8.114 1.00 30.01 H new ATOM 0 HA SER A 95 -2.355 -5.816 -7.223 1.00 13.12 H new ATOM 0 HB2 SER A 95 -4.583 -5.372 -6.027 1.00 51.33 H new ATOM 0 HB3 SER A 95 -5.331 -6.475 -7.164 1.00 51.33 H new ATOM 0 HG SER A 95 -3.521 -7.990 -6.411 1.00 52.51 H new ATOM 1481 N GLN A 96 -3.530 -6.593 -10.019 1.00 2.24 N ATOM 1482 CA GLN A 96 -3.446 -7.502 -11.150 1.00 74.44 C ATOM 1483 C GLN A 96 -2.062 -7.402 -11.798 1.00 5.10 C ATOM 1484 O GLN A 96 -1.741 -8.130 -12.738 1.00 50.33 O ATOM 1485 CB GLN A 96 -4.537 -7.145 -12.158 1.00 73.32 C ATOM 1486 CG GLN A 96 -4.914 -8.273 -13.104 1.00 4.42 C ATOM 1487 CD GLN A 96 -6.021 -7.882 -14.072 1.00 53.04 C ATOM 1488 OE1 GLN A 96 -6.921 -7.011 -13.635 1.00 61.11 O flip ATOM 1489 NE2 GLN A 96 -6.068 -8.364 -15.205 1.00 74.23 N flip ATOM 0 H GLN A 96 -3.817 -5.646 -10.267 1.00 2.24 H new ATOM 0 HA GLN A 96 -3.592 -8.528 -10.812 1.00 74.44 H new ATOM 0 HB2 GLN A 96 -5.428 -6.831 -11.614 1.00 73.32 H new ATOM 0 HB3 GLN A 96 -4.205 -6.290 -12.747 1.00 73.32 H new ATOM 0 HG2 GLN A 96 -4.033 -8.577 -13.669 1.00 4.42 H new ATOM 0 HG3 GLN A 96 -5.234 -9.138 -12.523 1.00 4.42 H new ATOM 0 HE21 GLN A 96 -5.357 -9.031 -15.505 1.00 74.23 H new ATOM 0 HE22 GLN A 96 -6.818 -8.096 -15.843 1.00 74.23 H new ATOM 1498 N ARG A 97 -1.244 -6.495 -11.278 1.00 70.51 N ATOM 1499 CA ARG A 97 0.095 -6.269 -11.804 1.00 43.41 C ATOM 1500 C ARG A 97 1.125 -7.070 -11.008 1.00 50.33 C ATOM 1501 O ARG A 97 0.907 -7.371 -9.831 1.00 31.32 O ATOM 1502 CB ARG A 97 0.439 -4.773 -11.757 1.00 61.32 C ATOM 1503 CG ARG A 97 -0.542 -3.886 -12.514 1.00 31.13 C ATOM 1504 CD ARG A 97 -0.633 -4.273 -13.983 1.00 1.33 C ATOM 1505 NE ARG A 97 0.673 -4.231 -14.646 1.00 15.44 N ATOM 1506 CZ ARG A 97 0.936 -4.810 -15.819 1.00 42.35 C ATOM 1507 NH1 ARG A 97 -0.017 -5.473 -16.467 1.00 64.43 N ATOM 1508 NH2 ARG A 97 2.151 -4.728 -16.345 1.00 55.03 N ATOM 0 H ARG A 97 -1.488 -5.900 -10.486 1.00 70.51 H new ATOM 0 HA ARG A 97 0.120 -6.604 -12.841 1.00 43.41 H new ATOM 0 HB2 ARG A 97 0.474 -4.452 -10.716 1.00 61.32 H new ATOM 0 HB3 ARG A 97 1.437 -4.627 -12.170 1.00 61.32 H new ATOM 0 HG2 ARG A 97 -1.528 -3.961 -12.056 1.00 31.13 H new ATOM 0 HG3 ARG A 97 -0.230 -2.845 -12.431 1.00 31.13 H new ATOM 0 HD2 ARG A 97 -1.050 -5.276 -14.068 1.00 1.33 H new ATOM 0 HD3 ARG A 97 -1.320 -3.598 -14.493 1.00 1.33 H new ATOM 0 HE ARG A 97 1.429 -3.727 -14.182 1.00 15.44 H new ATOM 0 HH11 ARG A 97 -0.953 -5.540 -16.068 1.00 64.43 H new ATOM 0 HH12 ARG A 97 0.188 -5.914 -17.363 1.00 64.43 H new ATOM 0 HH21 ARG A 97 2.887 -4.221 -15.853 1.00 55.03 H new ATOM 0 HH22 ARG A 97 2.349 -5.172 -17.242 1.00 55.03 H new ATOM 1522 N PRO A 98 2.247 -7.447 -11.646 1.00 5.24 N ATOM 1523 CA PRO A 98 3.335 -8.175 -10.978 1.00 75.12 C ATOM 1524 C PRO A 98 4.011 -7.340 -9.890 1.00 34.35 C ATOM 1525 O PRO A 98 4.545 -6.261 -10.160 1.00 40.42 O ATOM 1526 CB PRO A 98 4.319 -8.474 -12.115 1.00 75.10 C ATOM 1527 CG PRO A 98 4.015 -7.472 -13.172 1.00 53.43 C ATOM 1528 CD PRO A 98 2.541 -7.206 -13.073 1.00 74.01 C ATOM 0 HA PRO A 98 2.973 -9.067 -10.467 1.00 75.12 H new ATOM 0 HB2 PRO A 98 5.351 -8.386 -11.775 1.00 75.10 H new ATOM 0 HB3 PRO A 98 4.192 -9.490 -12.488 1.00 75.10 H new ATOM 0 HG2 PRO A 98 4.588 -6.557 -13.020 1.00 53.43 H new ATOM 0 HG3 PRO A 98 4.278 -7.853 -14.159 1.00 53.43 H new ATOM 0 HD2 PRO A 98 2.296 -6.186 -13.367 1.00 74.01 H new ATOM 0 HD3 PRO A 98 1.968 -7.871 -13.720 1.00 74.01 H new ATOM 1536 N GLY A 99 3.976 -7.837 -8.660 1.00 40.23 N ATOM 1537 CA GLY A 99 4.583 -7.123 -7.552 1.00 71.45 C ATOM 1538 C GLY A 99 3.670 -6.055 -6.984 1.00 34.10 C ATOM 1539 O GLY A 99 4.117 -4.961 -6.648 1.00 2.12 O ATOM 0 H GLY A 99 3.538 -8.723 -8.409 1.00 40.23 H new ATOM 0 HA2 GLY A 99 4.843 -7.831 -6.765 1.00 71.45 H new ATOM 0 HA3 GLY A 99 5.513 -6.662 -7.886 1.00 71.45 H new ATOM 1543 N ALA A 100 2.390 -6.378 -6.870 1.00 23.41 N ATOM 1544 CA ALA A 100 1.399 -5.428 -6.384 1.00 53.33 C ATOM 1545 C ALA A 100 1.318 -5.434 -4.865 1.00 21.43 C ATOM 1546 O ALA A 100 1.301 -4.382 -4.235 1.00 60.02 O ATOM 1547 CB ALA A 100 0.042 -5.734 -6.976 1.00 21.15 C ATOM 0 H ALA A 100 2.012 -7.295 -7.109 1.00 23.41 H new ATOM 0 HA ALA A 100 1.712 -4.433 -6.701 1.00 53.33 H new ATOM 0 HB1 ALA A 100 -0.688 -5.015 -6.603 1.00 21.15 H new ATOM 0 HB2 ALA A 100 0.095 -5.667 -8.063 1.00 21.15 H new ATOM 0 HB3 ALA A 100 -0.261 -6.741 -6.690 1.00 21.15 H new ATOM 1553 N HIS A 101 1.272 -6.621 -4.277 1.00 30.43 N ATOM 1554 CA HIS A 101 1.226 -6.744 -2.824 1.00 14.22 C ATOM 1555 C HIS A 101 2.631 -6.866 -2.252 1.00 71.32 C ATOM 1556 O HIS A 101 2.818 -7.165 -1.073 1.00 43.04 O ATOM 1557 CB HIS A 101 0.364 -7.935 -2.399 1.00 33.12 C ATOM 1558 CG HIS A 101 -1.086 -7.596 -2.262 1.00 43.31 C ATOM 1559 ND1 HIS A 101 -2.054 -8.293 -2.938 1.00 61.40 N ATOM 1560 CD2 HIS A 101 -1.676 -6.632 -1.514 1.00 22.11 C ATOM 1561 CE1 HIS A 101 -3.205 -7.744 -2.592 1.00 20.21 C ATOM 1562 NE2 HIS A 101 -3.026 -6.733 -1.730 1.00 21.24 N ATOM 0 H HIS A 101 1.265 -7.509 -4.779 1.00 30.43 H new ATOM 0 HA HIS A 101 0.768 -5.839 -2.424 1.00 14.22 H new ATOM 0 HB2 HIS A 101 0.475 -8.735 -3.131 1.00 33.12 H new ATOM 0 HB3 HIS A 101 0.732 -8.320 -1.448 1.00 33.12 H new ATOM 0 HD2 HIS A 101 -1.178 -5.921 -0.871 1.00 22.11 H new ATOM 0 HE1 HIS A 101 -4.168 -8.069 -2.957 1.00 20.21 H new ATOM 0 HE2 HIS A 101 -3.754 -6.151 -1.315 1.00 21.24 H new ATOM 1570 N LEU A 102 3.619 -6.616 -3.100 1.00 24.55 N ATOM 1571 CA LEU A 102 5.007 -6.578 -2.674 1.00 43.41 C ATOM 1572 C LEU A 102 5.321 -5.187 -2.140 1.00 51.42 C ATOM 1573 O LEU A 102 4.576 -4.243 -2.403 1.00 12.14 O ATOM 1574 CB LEU A 102 5.944 -6.940 -3.834 1.00 0.32 C ATOM 1575 CG LEU A 102 6.250 -8.439 -4.013 1.00 14.10 C ATOM 1576 CD1 LEU A 102 7.045 -8.972 -2.831 1.00 4.32 C ATOM 1577 CD2 LEU A 102 4.974 -9.252 -4.195 1.00 45.32 C ATOM 0 H LEU A 102 3.481 -6.435 -4.094 1.00 24.55 H new ATOM 0 HA LEU A 102 5.164 -7.314 -1.885 1.00 43.41 H new ATOM 0 HB2 LEU A 102 5.505 -6.566 -4.759 1.00 0.32 H new ATOM 0 HB3 LEU A 102 6.887 -6.412 -3.692 1.00 0.32 H new ATOM 0 HG LEU A 102 6.850 -8.543 -4.917 1.00 14.10 H new ATOM 0 HD11 LEU A 102 7.250 -10.032 -2.979 1.00 4.32 H new ATOM 0 HD12 LEU A 102 7.986 -8.428 -2.751 1.00 4.32 H new ATOM 0 HD13 LEU A 102 6.469 -8.838 -1.915 1.00 4.32 H new ATOM 0 HD21 LEU A 102 5.228 -10.305 -4.318 1.00 45.32 H new ATOM 0 HD22 LEU A 102 4.338 -9.132 -3.318 1.00 45.32 H new ATOM 0 HD23 LEU A 102 4.442 -8.901 -5.079 1.00 45.32 H new ATOM 1589 N THR A 103 6.397 -5.060 -1.378 1.00 11.00 N ATOM 1590 CA THR A 103 6.731 -3.791 -0.750 1.00 44.34 C ATOM 1591 C THR A 103 7.344 -2.829 -1.759 1.00 11.45 C ATOM 1592 O THR A 103 8.551 -2.841 -2.008 1.00 24.24 O ATOM 1593 CB THR A 103 7.681 -3.994 0.436 1.00 74.11 C ATOM 1594 OG1 THR A 103 7.221 -5.103 1.216 1.00 22.10 O ATOM 1595 CG2 THR A 103 7.737 -2.752 1.310 1.00 74.01 C ATOM 0 H THR A 103 7.051 -5.817 -1.180 1.00 11.00 H new ATOM 0 HA THR A 103 5.805 -3.355 -0.375 1.00 44.34 H new ATOM 0 HB THR A 103 8.683 -4.188 0.052 1.00 74.11 H new ATOM 0 HG1 THR A 103 7.824 -5.241 1.976 1.00 22.10 H new ATOM 0 HG21 THR A 103 8.418 -2.924 2.143 1.00 74.01 H new ATOM 0 HG22 THR A 103 8.092 -1.907 0.720 1.00 74.01 H new ATOM 0 HG23 THR A 103 6.741 -2.533 1.695 1.00 74.01 H new ATOM 1603 N VAL A 104 6.488 -2.018 -2.349 1.00 41.23 N ATOM 1604 CA VAL A 104 6.888 -1.079 -3.377 1.00 51.43 C ATOM 1605 C VAL A 104 6.709 0.343 -2.880 1.00 62.04 C ATOM 1606 O VAL A 104 5.587 0.753 -2.590 1.00 74.13 O ATOM 1607 CB VAL A 104 6.031 -1.268 -4.643 1.00 75.03 C ATOM 1608 CG1 VAL A 104 6.385 -0.236 -5.701 1.00 64.53 C ATOM 1609 CG2 VAL A 104 6.185 -2.676 -5.182 1.00 42.20 C ATOM 0 H VAL A 104 5.493 -1.992 -2.128 1.00 41.23 H new ATOM 0 HA VAL A 104 7.936 -1.263 -3.614 1.00 51.43 H new ATOM 0 HB VAL A 104 4.986 -1.119 -4.373 1.00 75.03 H new ATOM 0 HG11 VAL A 104 5.765 -0.393 -6.584 1.00 64.53 H new ATOM 0 HG12 VAL A 104 6.209 0.765 -5.307 1.00 64.53 H new ATOM 0 HG13 VAL A 104 7.436 -0.339 -5.973 1.00 64.53 H new ATOM 0 HG21 VAL A 104 5.573 -2.792 -6.076 1.00 42.20 H new ATOM 0 HG22 VAL A 104 7.230 -2.858 -5.432 1.00 42.20 H new ATOM 0 HG23 VAL A 104 5.863 -3.392 -4.426 1.00 42.20 H new ATOM 1619 N LYS A 105 7.795 1.095 -2.747 1.00 52.12 N ATOM 1620 CA LYS A 105 7.688 2.488 -2.345 1.00 11.40 C ATOM 1621 C LYS A 105 8.012 3.416 -3.512 1.00 55.33 C ATOM 1622 O LYS A 105 8.312 4.587 -3.321 1.00 64.22 O ATOM 1623 CB LYS A 105 8.644 2.764 -1.191 1.00 3.32 C ATOM 1624 CG LYS A 105 8.624 1.693 -0.120 1.00 14.41 C ATOM 1625 CD LYS A 105 9.516 2.067 1.039 1.00 33.21 C ATOM 1626 CE LYS A 105 9.517 1.000 2.114 1.00 5.23 C ATOM 1627 NZ LYS A 105 10.458 1.339 3.211 1.00 72.34 N ATOM 0 H LYS A 105 8.747 0.767 -2.910 1.00 52.12 H new ATOM 0 HA LYS A 105 6.663 2.677 -2.026 1.00 11.40 H new ATOM 0 HB2 LYS A 105 9.657 2.856 -1.583 1.00 3.32 H new ATOM 0 HB3 LYS A 105 8.389 3.723 -0.740 1.00 3.32 H new ATOM 0 HG2 LYS A 105 7.604 1.548 0.235 1.00 14.41 H new ATOM 0 HG3 LYS A 105 8.952 0.744 -0.544 1.00 14.41 H new ATOM 0 HD2 LYS A 105 10.533 2.222 0.680 1.00 33.21 H new ATOM 0 HD3 LYS A 105 9.181 3.013 1.465 1.00 33.21 H new ATOM 0 HE2 LYS A 105 8.511 0.887 2.517 1.00 5.23 H new ATOM 0 HE3 LYS A 105 9.795 0.041 1.677 1.00 5.23 H new ATOM 0 HZ1 LYS A 105 10.269 0.728 4.031 1.00 72.34 H new ATOM 0 HZ2 LYS A 105 11.435 1.192 2.888 1.00 72.34 H new ATOM 0 HZ3 LYS A 105 10.329 2.334 3.484 1.00 72.34 H new ATOM 1641 N LYS A 106 7.953 2.885 -4.716 1.00 12.13 N ATOM 1642 CA LYS A 106 8.202 3.678 -5.911 1.00 12.04 C ATOM 1643 C LYS A 106 6.967 3.714 -6.806 1.00 5.15 C ATOM 1644 O LYS A 106 6.278 2.706 -6.957 1.00 53.41 O ATOM 1645 CB LYS A 106 9.390 3.090 -6.670 1.00 4.02 C ATOM 1646 CG LYS A 106 10.706 3.796 -6.399 1.00 5.53 C ATOM 1647 CD LYS A 106 10.850 5.045 -7.252 1.00 45.34 C ATOM 1648 CE LYS A 106 11.060 4.701 -8.717 1.00 64.33 C ATOM 1649 NZ LYS A 106 12.392 4.095 -8.968 1.00 70.00 N ATOM 0 H LYS A 106 7.734 1.905 -4.897 1.00 12.13 H new ATOM 0 HA LYS A 106 8.431 4.702 -5.614 1.00 12.04 H new ATOM 0 HB2 LYS A 106 9.493 2.038 -6.405 1.00 4.02 H new ATOM 0 HB3 LYS A 106 9.181 3.130 -7.739 1.00 4.02 H new ATOM 0 HG2 LYS A 106 10.766 4.065 -5.344 1.00 5.53 H new ATOM 0 HG3 LYS A 106 11.534 3.117 -6.603 1.00 5.53 H new ATOM 0 HD2 LYS A 106 9.958 5.663 -7.147 1.00 45.34 H new ATOM 0 HD3 LYS A 106 11.692 5.637 -6.892 1.00 45.34 H new ATOM 0 HE2 LYS A 106 10.282 4.010 -9.041 1.00 64.33 H new ATOM 0 HE3 LYS A 106 10.955 5.604 -9.319 1.00 64.33 H new ATOM 0 HZ1 LYS A 106 12.464 3.815 -9.967 1.00 70.00 H new ATOM 0 HZ2 LYS A 106 13.136 4.788 -8.748 1.00 70.00 H new ATOM 0 HZ3 LYS A 106 12.511 3.256 -8.365 1.00 70.00 H new ATOM 1663 N ILE A 107 6.670 4.875 -7.389 1.00 42.23 N ATOM 1664 CA ILE A 107 5.558 4.993 -8.332 1.00 64.43 C ATOM 1665 C ILE A 107 6.003 5.621 -9.642 1.00 30.22 C ATOM 1666 O ILE A 107 6.976 6.379 -9.690 1.00 1.25 O ATOM 1667 CB ILE A 107 4.390 5.836 -7.775 1.00 43.11 C ATOM 1668 CG1 ILE A 107 4.921 7.082 -7.064 1.00 62.24 C ATOM 1669 CG2 ILE A 107 3.519 5.001 -6.856 1.00 10.44 C ATOM 1670 CD1 ILE A 107 3.838 7.996 -6.547 1.00 13.23 C ATOM 0 H ILE A 107 7.181 5.743 -7.226 1.00 42.23 H new ATOM 0 HA ILE A 107 5.213 3.972 -8.498 1.00 64.43 H new ATOM 0 HB ILE A 107 3.769 6.167 -8.608 1.00 43.11 H new ATOM 0 HG12 ILE A 107 5.551 6.772 -6.230 1.00 62.24 H new ATOM 0 HG13 ILE A 107 5.556 7.639 -7.753 1.00 62.24 H new ATOM 0 HG21 ILE A 107 2.702 5.613 -6.474 1.00 10.44 H new ATOM 0 HG22 ILE A 107 3.111 4.156 -7.410 1.00 10.44 H new ATOM 0 HG23 ILE A 107 4.117 4.633 -6.022 1.00 10.44 H new ATOM 0 HD11 ILE A 107 4.292 8.857 -6.056 1.00 13.23 H new ATOM 0 HD12 ILE A 107 3.222 8.337 -7.379 1.00 13.23 H new ATOM 0 HD13 ILE A 107 3.217 7.456 -5.832 1.00 13.23 H new ATOM 1682 N PHE A 108 5.280 5.281 -10.692 1.00 63.44 N ATOM 1683 CA PHE A 108 5.504 5.828 -12.018 1.00 44.52 C ATOM 1684 C PHE A 108 4.440 6.869 -12.325 1.00 43.41 C ATOM 1685 O PHE A 108 3.273 6.678 -11.993 1.00 30.03 O ATOM 1686 CB PHE A 108 5.475 4.682 -13.042 1.00 31.12 C ATOM 1687 CG PHE A 108 5.098 5.067 -14.454 1.00 10.24 C ATOM 1688 CD1 PHE A 108 3.770 5.051 -14.856 1.00 4.24 C ATOM 1689 CD2 PHE A 108 6.068 5.415 -15.381 1.00 35.44 C ATOM 1690 CE1 PHE A 108 3.415 5.374 -16.148 1.00 4.05 C ATOM 1691 CE2 PHE A 108 5.719 5.744 -16.678 1.00 23.43 C ATOM 1692 CZ PHE A 108 4.391 5.722 -17.062 1.00 25.04 C ATOM 0 H PHE A 108 4.513 4.610 -10.649 1.00 63.44 H new ATOM 0 HA PHE A 108 6.478 6.316 -12.068 1.00 44.52 H new ATOM 0 HB2 PHE A 108 6.460 4.216 -13.064 1.00 31.12 H new ATOM 0 HB3 PHE A 108 4.772 3.926 -12.692 1.00 31.12 H new ATOM 0 HD1 PHE A 108 3.003 4.781 -14.145 1.00 4.24 H new ATOM 0 HD2 PHE A 108 7.107 5.429 -15.087 1.00 35.44 H new ATOM 0 HE1 PHE A 108 2.377 5.355 -16.445 1.00 4.05 H new ATOM 0 HE2 PHE A 108 6.483 6.018 -17.390 1.00 23.43 H new ATOM 0 HZ PHE A 108 4.117 5.977 -18.075 1.00 25.04 H new ATOM 1702 N VAL A 109 4.850 7.973 -12.928 1.00 52.12 N ATOM 1703 CA VAL A 109 3.919 9.001 -13.368 1.00 50.14 C ATOM 1704 C VAL A 109 4.158 9.292 -14.841 1.00 30.32 C ATOM 1705 O VAL A 109 5.168 9.882 -15.195 1.00 40.31 O ATOM 1706 CB VAL A 109 4.093 10.313 -12.570 1.00 31.04 C ATOM 1707 CG1 VAL A 109 2.930 11.263 -12.823 1.00 75.02 C ATOM 1708 CG2 VAL A 109 4.242 10.031 -11.085 1.00 22.21 C ATOM 0 H VAL A 109 5.829 8.182 -13.125 1.00 52.12 H new ATOM 0 HA VAL A 109 2.908 8.630 -13.201 1.00 50.14 H new ATOM 0 HB VAL A 109 5.007 10.795 -12.917 1.00 31.04 H new ATOM 0 HG11 VAL A 109 3.077 12.178 -12.250 1.00 75.02 H new ATOM 0 HG12 VAL A 109 2.881 11.504 -13.885 1.00 75.02 H new ATOM 0 HG13 VAL A 109 1.998 10.788 -12.515 1.00 75.02 H new ATOM 0 HG21 VAL A 109 4.363 10.971 -10.547 1.00 22.21 H new ATOM 0 HG22 VAL A 109 3.353 9.516 -10.721 1.00 22.21 H new ATOM 0 HG23 VAL A 109 5.118 9.403 -10.920 1.00 22.21 H new ATOM 1718 N GLY A 110 3.235 8.896 -15.695 1.00 63.00 N ATOM 1719 CA GLY A 110 3.461 9.028 -17.119 1.00 4.32 C ATOM 1720 C GLY A 110 2.378 9.801 -17.827 1.00 74.43 C ATOM 1721 O GLY A 110 1.271 9.959 -17.305 1.00 2.41 O ATOM 0 H GLY A 110 2.338 8.488 -15.434 1.00 63.00 H new ATOM 0 HA2 GLY A 110 4.418 9.524 -17.283 1.00 4.32 H new ATOM 0 HA3 GLY A 110 3.537 8.035 -17.561 1.00 4.32 H new ATOM 1725 N GLY A 111 2.708 10.287 -19.019 1.00 63.04 N ATOM 1726 CA GLY A 111 1.753 11.030 -19.813 1.00 43.42 C ATOM 1727 C GLY A 111 1.492 12.400 -19.233 1.00 51.02 C ATOM 1728 O GLY A 111 0.345 12.823 -19.096 1.00 2.04 O ATOM 0 H GLY A 111 3.626 10.177 -19.449 1.00 63.04 H new ATOM 0 HA2 GLY A 111 2.127 11.131 -20.832 1.00 43.42 H new ATOM 0 HA3 GLY A 111 0.817 10.475 -19.871 1.00 43.42 H new ATOM 1732 N ILE A 112 2.570 13.083 -18.877 1.00 62.22 N ATOM 1733 CA ILE A 112 2.487 14.402 -18.271 1.00 72.12 C ATOM 1734 C ILE A 112 2.519 15.490 -19.345 1.00 32.12 C ATOM 1735 O ILE A 112 2.337 15.207 -20.532 1.00 40.15 O ATOM 1736 CB ILE A 112 3.635 14.614 -17.255 1.00 71.44 C ATOM 1737 CG1 ILE A 112 4.999 14.349 -17.910 1.00 30.32 C ATOM 1738 CG2 ILE A 112 3.436 13.705 -16.047 1.00 73.12 C ATOM 1739 CD1 ILE A 112 6.172 14.467 -16.957 1.00 4.53 C ATOM 0 H ILE A 112 3.523 12.740 -19.000 1.00 62.22 H new ATOM 0 HA ILE A 112 1.540 14.470 -17.736 1.00 72.12 H new ATOM 0 HB ILE A 112 3.617 15.652 -16.922 1.00 71.44 H new ATOM 0 HG12 ILE A 112 4.995 13.349 -18.343 1.00 30.32 H new ATOM 0 HG13 ILE A 112 5.139 15.051 -18.732 1.00 30.32 H new ATOM 0 HG21 ILE A 112 4.248 13.860 -15.337 1.00 73.12 H new ATOM 0 HG22 ILE A 112 2.485 13.939 -15.568 1.00 73.12 H new ATOM 0 HG23 ILE A 112 3.432 12.664 -16.371 1.00 73.12 H new ATOM 0 HD11 ILE A 112 7.099 14.266 -17.494 1.00 4.53 H new ATOM 0 HD12 ILE A 112 6.204 15.475 -16.543 1.00 4.53 H new ATOM 0 HD13 ILE A 112 6.058 13.745 -16.148 1.00 4.53 H new ATOM 1751 N LYS A 113 2.750 16.729 -18.933 1.00 22.13 N ATOM 1752 CA LYS A 113 2.777 17.851 -19.866 1.00 43.23 C ATOM 1753 C LYS A 113 4.136 17.966 -20.558 1.00 40.34 C ATOM 1754 O LYS A 113 4.961 17.055 -20.477 1.00 41.23 O ATOM 1755 CB LYS A 113 2.451 19.154 -19.136 1.00 24.42 C ATOM 1756 CG LYS A 113 1.061 19.181 -18.518 1.00 5.42 C ATOM 1757 CD LYS A 113 0.618 20.602 -18.209 1.00 44.31 C ATOM 1758 CE LYS A 113 1.490 21.248 -17.148 1.00 24.13 C ATOM 1759 NZ LYS A 113 1.390 22.731 -17.179 1.00 31.43 N ATOM 0 H LYS A 113 2.921 16.984 -17.960 1.00 22.13 H new ATOM 0 HA LYS A 113 2.021 17.668 -20.630 1.00 43.23 H new ATOM 0 HB2 LYS A 113 3.190 19.315 -18.351 1.00 24.42 H new ATOM 0 HB3 LYS A 113 2.543 19.984 -19.836 1.00 24.42 H new ATOM 0 HG2 LYS A 113 0.349 18.717 -19.200 1.00 5.42 H new ATOM 0 HG3 LYS A 113 1.057 18.590 -17.602 1.00 5.42 H new ATOM 0 HD2 LYS A 113 0.652 21.199 -19.120 1.00 44.31 H new ATOM 0 HD3 LYS A 113 -0.418 20.594 -17.872 1.00 44.31 H new ATOM 0 HE2 LYS A 113 1.195 20.884 -16.164 1.00 24.13 H new ATOM 0 HE3 LYS A 113 2.528 20.950 -17.300 1.00 24.13 H new ATOM 0 HZ1 LYS A 113 2.000 23.136 -16.440 1.00 31.43 H new ATOM 0 HZ2 LYS A 113 1.696 23.080 -18.110 1.00 31.43 H new ATOM 0 HZ3 LYS A 113 0.404 23.016 -17.009 1.00 31.43 H new ATOM 1773 N GLU A 114 4.361 19.098 -21.231 1.00 64.34 N ATOM 1774 CA GLU A 114 5.618 19.353 -21.934 1.00 55.12 C ATOM 1775 C GLU A 114 6.775 19.493 -20.957 1.00 34.21 C ATOM 1776 O GLU A 114 7.938 19.331 -21.326 1.00 41.44 O ATOM 1777 CB GLU A 114 5.503 20.617 -22.780 1.00 53.55 C ATOM 1778 CG GLU A 114 4.573 20.462 -23.965 1.00 44.23 C ATOM 1779 CD GLU A 114 4.989 19.319 -24.864 1.00 75.34 C ATOM 1780 OE1 GLU A 114 6.133 19.339 -25.359 1.00 74.05 O ATOM 1781 OE2 GLU A 114 4.178 18.395 -25.074 1.00 33.25 O ATOM 0 H GLU A 114 3.683 19.856 -21.303 1.00 64.34 H new ATOM 0 HA GLU A 114 5.817 18.500 -22.583 1.00 55.12 H new ATOM 0 HB2 GLU A 114 5.148 21.435 -22.153 1.00 53.55 H new ATOM 0 HB3 GLU A 114 6.493 20.897 -23.138 1.00 53.55 H new ATOM 0 HG2 GLU A 114 3.557 20.292 -23.609 1.00 44.23 H new ATOM 0 HG3 GLU A 114 4.559 21.389 -24.539 1.00 44.23 H new ATOM 1788 N ASP A 115 6.441 19.824 -19.722 1.00 11.04 N ATOM 1789 CA ASP A 115 7.403 19.851 -18.634 1.00 1.32 C ATOM 1790 C ASP A 115 6.661 19.772 -17.311 1.00 64.01 C ATOM 1791 O ASP A 115 5.540 20.275 -17.186 1.00 62.11 O ATOM 1792 CB ASP A 115 8.283 21.115 -18.682 1.00 3.21 C ATOM 1793 CG ASP A 115 7.484 22.404 -18.595 1.00 13.33 C ATOM 1794 OD1 ASP A 115 7.028 22.899 -19.650 1.00 2.14 O ATOM 1795 OD2 ASP A 115 7.312 22.935 -17.478 1.00 71.55 O ATOM 0 H ASP A 115 5.494 20.082 -19.445 1.00 11.04 H new ATOM 0 HA ASP A 115 8.067 18.993 -18.738 1.00 1.32 H new ATOM 0 HB2 ASP A 115 8.999 21.083 -17.861 1.00 3.21 H new ATOM 0 HB3 ASP A 115 8.859 21.114 -19.607 1.00 3.21 H new ATOM 1800 N THR A 116 7.248 19.086 -16.352 1.00 23.50 N ATOM 1801 CA THR A 116 6.699 19.024 -15.015 1.00 33.30 C ATOM 1802 C THR A 116 7.836 19.104 -14.013 1.00 33.13 C ATOM 1803 O THR A 116 8.894 18.508 -14.213 1.00 64.51 O ATOM 1804 CB THR A 116 5.873 17.736 -14.794 1.00 55.32 C ATOM 1805 OG1 THR A 116 4.908 17.608 -15.849 1.00 30.11 O ATOM 1806 CG2 THR A 116 5.152 17.762 -13.448 1.00 44.03 C ATOM 0 H THR A 116 8.113 18.560 -16.477 1.00 23.50 H new ATOM 0 HA THR A 116 6.021 19.866 -14.877 1.00 33.30 H new ATOM 0 HB THR A 116 6.555 16.886 -14.798 1.00 55.32 H new ATOM 0 HG1 THR A 116 4.061 17.282 -15.480 1.00 30.11 H new ATOM 0 HG21 THR A 116 4.580 16.842 -13.324 1.00 44.03 H new ATOM 0 HG22 THR A 116 5.884 17.846 -12.645 1.00 44.03 H new ATOM 0 HG23 THR A 116 4.476 18.617 -13.414 1.00 44.03 H new ATOM 1814 N GLU A 117 7.623 19.855 -12.955 1.00 45.30 N ATOM 1815 CA GLU A 117 8.663 20.082 -11.974 1.00 21.13 C ATOM 1816 C GLU A 117 8.517 19.126 -10.803 1.00 5.01 C ATOM 1817 O GLU A 117 7.434 18.576 -10.559 1.00 74.22 O ATOM 1818 CB GLU A 117 8.623 21.527 -11.479 1.00 35.21 C ATOM 1819 CG GLU A 117 9.023 22.544 -12.537 1.00 44.11 C ATOM 1820 CD GLU A 117 9.048 23.967 -12.013 1.00 23.12 C ATOM 1821 OE1 GLU A 117 7.971 24.589 -11.903 1.00 1.13 O ATOM 1822 OE2 GLU A 117 10.146 24.477 -11.710 1.00 31.41 O ATOM 0 H GLU A 117 6.738 20.320 -12.751 1.00 45.30 H new ATOM 0 HA GLU A 117 9.626 19.899 -12.452 1.00 21.13 H new ATOM 0 HB2 GLU A 117 7.616 21.755 -11.130 1.00 35.21 H new ATOM 0 HB3 GLU A 117 9.288 21.627 -10.621 1.00 35.21 H new ATOM 0 HG2 GLU A 117 10.009 22.288 -12.924 1.00 44.11 H new ATOM 0 HG3 GLU A 117 8.326 22.483 -13.373 1.00 44.11 H new ATOM 1829 N GLU A 118 9.618 18.935 -10.090 1.00 54.33 N ATOM 1830 CA GLU A 118 9.615 18.163 -8.859 1.00 32.13 C ATOM 1831 C GLU A 118 8.584 18.750 -7.912 1.00 34.14 C ATOM 1832 O GLU A 118 7.744 18.038 -7.382 1.00 1.33 O ATOM 1833 CB GLU A 118 11.007 18.176 -8.209 1.00 13.35 C ATOM 1834 CG GLU A 118 11.051 17.529 -6.832 1.00 35.13 C ATOM 1835 CD GLU A 118 11.241 18.532 -5.705 1.00 20.14 C ATOM 1836 OE1 GLU A 118 10.248 19.124 -5.245 1.00 31.32 O ATOM 1837 OE2 GLU A 118 12.388 18.722 -5.263 1.00 14.15 O ATOM 0 H GLU A 118 10.532 19.309 -10.347 1.00 54.33 H new ATOM 0 HA GLU A 118 9.359 17.127 -9.082 1.00 32.13 H new ATOM 0 HB2 GLU A 118 11.708 17.660 -8.865 1.00 13.35 H new ATOM 0 HB3 GLU A 118 11.349 19.208 -8.126 1.00 13.35 H new ATOM 0 HG2 GLU A 118 10.125 16.978 -6.667 1.00 35.13 H new ATOM 0 HG3 GLU A 118 11.864 16.803 -6.805 1.00 35.13 H new ATOM 1844 N HIS A 119 8.627 20.069 -7.784 1.00 53.30 N ATOM 1845 CA HIS A 119 7.754 20.817 -6.886 1.00 32.34 C ATOM 1846 C HIS A 119 6.280 20.498 -7.128 1.00 32.25 C ATOM 1847 O HIS A 119 5.492 20.458 -6.185 1.00 55.23 O ATOM 1848 CB HIS A 119 7.984 22.319 -7.075 1.00 41.21 C ATOM 1849 CG HIS A 119 9.400 22.762 -6.849 1.00 4.11 C ATOM 1850 ND1 HIS A 119 10.351 22.657 -7.837 1.00 11.55 N ATOM 1851 CD2 HIS A 119 9.968 23.305 -5.747 1.00 33.22 C ATOM 1852 CE1 HIS A 119 11.466 23.137 -7.317 1.00 61.01 C ATOM 1853 NE2 HIS A 119 11.284 23.541 -6.052 1.00 31.33 N ATOM 0 H HIS A 119 9.276 20.658 -8.306 1.00 53.30 H new ATOM 0 HA HIS A 119 8.000 20.522 -5.866 1.00 32.34 H new ATOM 0 HB2 HIS A 119 7.687 22.595 -8.087 1.00 41.21 H new ATOM 0 HB3 HIS A 119 7.332 22.863 -6.391 1.00 41.21 H new ATOM 0 HD2 HIS A 119 9.478 23.513 -4.807 1.00 33.22 H new ATOM 0 HE1 HIS A 119 12.406 23.197 -7.845 1.00 61.01 H new ATOM 0 HE2 HIS A 119 11.988 23.946 -5.435 1.00 31.33 H new ATOM 1861 N HIS A 120 5.926 20.248 -8.386 1.00 12.20 N ATOM 1862 CA HIS A 120 4.546 19.948 -8.761 1.00 65.11 C ATOM 1863 C HIS A 120 4.092 18.621 -8.168 1.00 4.14 C ATOM 1864 O HIS A 120 3.152 18.572 -7.361 1.00 10.14 O ATOM 1865 CB HIS A 120 4.396 19.905 -10.285 1.00 33.11 C ATOM 1866 CG HIS A 120 4.651 21.220 -10.960 1.00 70.31 C ATOM 1867 ND1 HIS A 120 5.044 21.285 -12.273 1.00 40.42 N ATOM 1868 CD2 HIS A 120 4.553 22.478 -10.464 1.00 4.14 C ATOM 1869 CE1 HIS A 120 5.174 22.571 -12.546 1.00 2.31 C ATOM 1870 NE2 HIS A 120 4.886 23.332 -11.480 1.00 34.23 N ATOM 0 H HIS A 120 6.581 20.247 -9.168 1.00 12.20 H new ATOM 0 HA HIS A 120 3.917 20.744 -8.361 1.00 65.11 H new ATOM 0 HB2 HIS A 120 5.085 19.162 -10.687 1.00 33.11 H new ATOM 0 HB3 HIS A 120 3.388 19.571 -10.531 1.00 33.11 H new ATOM 0 HD2 HIS A 120 4.267 22.753 -9.460 1.00 4.14 H new ATOM 0 HE1 HIS A 120 5.475 22.961 -13.507 1.00 2.31 H new ATOM 0 HE2 HIS A 120 4.910 24.351 -11.435 1.00 34.23 H new ATOM 1878 N LEU A 121 4.790 17.549 -8.516 1.00 2.11 N ATOM 1879 CA LEU A 121 4.333 16.226 -8.134 1.00 42.14 C ATOM 1880 C LEU A 121 4.754 15.883 -6.708 1.00 21.32 C ATOM 1881 O LEU A 121 4.084 15.109 -6.037 1.00 33.42 O ATOM 1882 CB LEU A 121 4.805 15.165 -9.135 1.00 44.13 C ATOM 1883 CG LEU A 121 6.287 15.196 -9.522 1.00 44.43 C ATOM 1884 CD1 LEU A 121 7.133 14.468 -8.494 1.00 21.42 C ATOM 1885 CD2 LEU A 121 6.471 14.577 -10.893 1.00 70.33 C ATOM 0 H LEU A 121 5.658 17.569 -9.052 1.00 2.11 H new ATOM 0 HA LEU A 121 3.243 16.232 -8.156 1.00 42.14 H new ATOM 0 HB2 LEU A 121 4.582 14.182 -8.720 1.00 44.13 H new ATOM 0 HB3 LEU A 121 4.213 15.268 -10.045 1.00 44.13 H new ATOM 0 HG LEU A 121 6.617 16.235 -9.551 1.00 44.43 H new ATOM 0 HD11 LEU A 121 8.181 14.505 -8.793 1.00 21.42 H new ATOM 0 HD12 LEU A 121 7.016 14.947 -7.522 1.00 21.42 H new ATOM 0 HD13 LEU A 121 6.811 13.429 -8.428 1.00 21.42 H new ATOM 0 HD21 LEU A 121 7.526 14.601 -11.164 1.00 70.33 H new ATOM 0 HD22 LEU A 121 6.124 13.544 -10.875 1.00 70.33 H new ATOM 0 HD23 LEU A 121 5.895 15.140 -11.627 1.00 70.33 H new ATOM 1897 N ARG A 122 5.845 16.482 -6.240 1.00 24.30 N ATOM 1898 CA ARG A 122 6.319 16.260 -4.877 1.00 11.31 C ATOM 1899 C ARG A 122 5.311 16.805 -3.883 1.00 1.14 C ATOM 1900 O ARG A 122 4.926 16.121 -2.947 1.00 41.01 O ATOM 1901 CB ARG A 122 7.688 16.921 -4.665 1.00 43.51 C ATOM 1902 CG ARG A 122 8.220 16.821 -3.242 1.00 61.15 C ATOM 1903 CD ARG A 122 7.939 18.086 -2.452 1.00 2.22 C ATOM 1904 NE ARG A 122 8.676 19.232 -2.979 1.00 20.11 N ATOM 1905 CZ ARG A 122 8.654 20.445 -2.435 1.00 15.01 C ATOM 1906 NH1 ARG A 122 7.929 20.678 -1.345 1.00 40.32 N ATOM 1907 NH2 ARG A 122 9.362 21.423 -2.982 1.00 11.14 N ATOM 0 H ARG A 122 6.418 17.126 -6.785 1.00 24.30 H new ATOM 0 HA ARG A 122 6.430 15.187 -4.717 1.00 11.31 H new ATOM 0 HB2 ARG A 122 8.408 16.462 -5.342 1.00 43.51 H new ATOM 0 HB3 ARG A 122 7.617 17.973 -4.940 1.00 43.51 H new ATOM 0 HG2 ARG A 122 7.762 15.968 -2.740 1.00 61.15 H new ATOM 0 HG3 ARG A 122 9.294 16.637 -3.266 1.00 61.15 H new ATOM 0 HD2 ARG A 122 6.870 18.299 -2.476 1.00 2.22 H new ATOM 0 HD3 ARG A 122 8.209 17.930 -1.408 1.00 2.22 H new ATOM 0 HE ARG A 122 9.242 19.093 -3.816 1.00 20.11 H new ATOM 0 HH11 ARG A 122 7.387 19.925 -0.923 1.00 40.32 H new ATOM 0 HH12 ARG A 122 7.915 21.610 -0.931 1.00 40.32 H new ATOM 0 HH21 ARG A 122 9.920 21.243 -3.816 1.00 11.14 H new ATOM 0 HH22 ARG A 122 9.348 22.355 -2.568 1.00 11.14 H new ATOM 1921 N ASP A 123 4.875 18.037 -4.110 1.00 62.33 N ATOM 1922 CA ASP A 123 3.905 18.684 -3.231 1.00 41.10 C ATOM 1923 C ASP A 123 2.570 17.947 -3.271 1.00 13.23 C ATOM 1924 O ASP A 123 1.810 17.953 -2.305 1.00 33.25 O ATOM 1925 CB ASP A 123 3.724 20.147 -3.641 1.00 74.15 C ATOM 1926 CG ASP A 123 2.718 20.881 -2.783 1.00 3.13 C ATOM 1927 OD1 ASP A 123 3.082 21.309 -1.670 1.00 34.41 O ATOM 1928 OD2 ASP A 123 1.558 21.029 -3.215 1.00 62.13 O ATOM 0 H ASP A 123 5.178 18.611 -4.897 1.00 62.33 H new ATOM 0 HA ASP A 123 4.281 18.650 -2.208 1.00 41.10 H new ATOM 0 HB2 ASP A 123 4.685 20.657 -3.581 1.00 74.15 H new ATOM 0 HB3 ASP A 123 3.405 20.190 -4.682 1.00 74.15 H new ATOM 1933 N TYR A 124 2.311 17.282 -4.386 1.00 63.54 N ATOM 1934 CA TYR A 124 1.099 16.520 -4.546 1.00 54.31 C ATOM 1935 C TYR A 124 1.181 15.163 -3.833 1.00 71.21 C ATOM 1936 O TYR A 124 0.334 14.834 -3.010 1.00 54.25 O ATOM 1937 CB TYR A 124 0.819 16.326 -6.024 1.00 21.24 C ATOM 1938 CG TYR A 124 -0.394 15.493 -6.267 1.00 40.25 C ATOM 1939 CD1 TYR A 124 -1.650 16.000 -5.999 1.00 60.55 C ATOM 1940 CD2 TYR A 124 -0.282 14.198 -6.734 1.00 12.04 C ATOM 1941 CE1 TYR A 124 -2.775 15.240 -6.191 1.00 12.14 C ATOM 1942 CE2 TYR A 124 -1.403 13.423 -6.928 1.00 50.20 C ATOM 1943 CZ TYR A 124 -2.652 13.956 -6.657 1.00 75.04 C ATOM 1944 OH TYR A 124 -3.784 13.206 -6.840 1.00 35.41 O ATOM 0 H TYR A 124 2.933 17.260 -5.194 1.00 63.54 H new ATOM 0 HA TYR A 124 0.282 17.076 -4.087 1.00 54.31 H new ATOM 0 HB2 TYR A 124 0.689 17.299 -6.497 1.00 21.24 H new ATOM 0 HB3 TYR A 124 1.681 15.854 -6.496 1.00 21.24 H new ATOM 0 HD1 TYR A 124 -1.748 17.011 -5.632 1.00 60.55 H new ATOM 0 HD2 TYR A 124 0.694 13.790 -6.949 1.00 12.04 H new ATOM 0 HE1 TYR A 124 -3.751 15.650 -5.977 1.00 12.14 H new ATOM 0 HE2 TYR A 124 -1.309 12.409 -7.288 1.00 50.20 H new ATOM 0 HH TYR A 124 -3.544 12.257 -6.884 1.00 35.41 H new ATOM 1954 N PHE A 125 2.196 14.381 -4.166 1.00 63.43 N ATOM 1955 CA PHE A 125 2.363 13.041 -3.612 1.00 11.04 C ATOM 1956 C PHE A 125 2.730 13.065 -2.120 1.00 33.44 C ATOM 1957 O PHE A 125 2.479 12.097 -1.407 1.00 23.10 O ATOM 1958 CB PHE A 125 3.433 12.278 -4.399 1.00 62.30 C ATOM 1959 CG PHE A 125 3.013 11.841 -5.779 1.00 45.10 C ATOM 1960 CD1 PHE A 125 1.895 11.040 -5.974 1.00 24.20 C ATOM 1961 CD2 PHE A 125 3.755 12.218 -6.880 1.00 30.21 C ATOM 1962 CE1 PHE A 125 1.531 10.628 -7.248 1.00 62.41 C ATOM 1963 CE2 PHE A 125 3.397 11.811 -8.148 1.00 45.12 C ATOM 1964 CZ PHE A 125 2.285 11.016 -8.333 1.00 11.41 C ATOM 0 H PHE A 125 2.926 14.653 -4.825 1.00 63.43 H new ATOM 0 HA PHE A 125 1.403 12.533 -3.703 1.00 11.04 H new ATOM 0 HB2 PHE A 125 4.318 12.908 -4.487 1.00 62.30 H new ATOM 0 HB3 PHE A 125 3.725 11.397 -3.828 1.00 62.30 H new ATOM 0 HD1 PHE A 125 1.302 10.734 -5.124 1.00 24.20 H new ATOM 0 HD2 PHE A 125 4.628 12.840 -6.747 1.00 30.21 H new ATOM 0 HE1 PHE A 125 0.660 10.005 -7.388 1.00 62.41 H new ATOM 0 HE2 PHE A 125 3.989 12.116 -8.999 1.00 45.12 H new ATOM 0 HZ PHE A 125 2.006 10.698 -9.327 1.00 11.41 H new ATOM 1974 N GLU A 126 3.297 14.175 -1.645 1.00 44.15 N ATOM 1975 CA GLU A 126 3.700 14.291 -0.239 1.00 12.15 C ATOM 1976 C GLU A 126 2.488 14.335 0.688 1.00 53.02 C ATOM 1977 O GLU A 126 2.592 14.033 1.875 1.00 1.23 O ATOM 1978 CB GLU A 126 4.571 15.525 -0.007 1.00 53.23 C ATOM 1979 CG GLU A 126 6.028 15.189 0.253 1.00 12.14 C ATOM 1980 CD GLU A 126 6.813 16.356 0.818 1.00 72.22 C ATOM 1981 OE1 GLU A 126 6.326 17.002 1.766 1.00 12.21 O ATOM 1982 OE2 GLU A 126 7.934 16.617 0.340 1.00 24.02 O ATOM 0 H GLU A 126 3.488 15.004 -2.208 1.00 44.15 H new ATOM 0 HA GLU A 126 4.286 13.402 -0.005 1.00 12.15 H new ATOM 0 HB2 GLU A 126 4.505 16.177 -0.878 1.00 53.23 H new ATOM 0 HB3 GLU A 126 4.177 16.085 0.841 1.00 53.23 H new ATOM 0 HG2 GLU A 126 6.084 14.351 0.947 1.00 12.14 H new ATOM 0 HG3 GLU A 126 6.492 14.863 -0.678 1.00 12.14 H new ATOM 1989 N GLN A 127 1.347 14.734 0.139 1.00 32.12 N ATOM 1990 CA GLN A 127 0.075 14.676 0.864 1.00 14.24 C ATOM 1991 C GLN A 127 -0.238 13.243 1.299 1.00 33.32 C ATOM 1992 O GLN A 127 -0.912 13.016 2.300 1.00 23.21 O ATOM 1993 CB GLN A 127 -1.066 15.196 -0.016 1.00 71.00 C ATOM 1994 CG GLN A 127 -0.784 16.541 -0.668 1.00 34.11 C ATOM 1995 CD GLN A 127 -1.905 16.990 -1.581 1.00 15.24 C ATOM 1996 OE1 GLN A 127 -1.546 17.680 -2.646 1.00 74.44 O flip ATOM 1997 NE2 GLN A 127 -3.077 16.708 -1.342 1.00 40.53 N flip ATOM 0 H GLN A 127 1.272 15.103 -0.809 1.00 32.12 H new ATOM 0 HA GLN A 127 0.167 15.305 1.749 1.00 14.24 H new ATOM 0 HB2 GLN A 127 -1.272 14.463 -0.796 1.00 71.00 H new ATOM 0 HB3 GLN A 127 -1.968 15.280 0.590 1.00 71.00 H new ATOM 0 HG2 GLN A 127 -0.629 17.291 0.107 1.00 34.11 H new ATOM 0 HG3 GLN A 127 0.142 16.477 -1.240 1.00 34.11 H new ATOM 0 HE21 GLN A 127 -3.312 16.172 -0.507 1.00 40.53 H new ATOM 0 HE22 GLN A 127 -3.814 17.010 -1.979 1.00 40.53 H new ATOM 2006 N TYR A 128 0.264 12.286 0.532 1.00 64.05 N ATOM 2007 CA TYR A 128 0.019 10.874 0.787 1.00 2.11 C ATOM 2008 C TYR A 128 1.075 10.293 1.730 1.00 1.23 C ATOM 2009 O TYR A 128 0.832 9.289 2.399 1.00 65.31 O ATOM 2010 CB TYR A 128 -0.003 10.107 -0.540 1.00 53.55 C ATOM 2011 CG TYR A 128 -1.064 10.598 -1.508 1.00 11.23 C ATOM 2012 CD1 TYR A 128 -0.903 11.791 -2.212 1.00 43.11 C ATOM 2013 CD2 TYR A 128 -2.228 9.871 -1.716 1.00 2.03 C ATOM 2014 CE1 TYR A 128 -1.870 12.242 -3.089 1.00 32.35 C ATOM 2015 CE2 TYR A 128 -3.200 10.314 -2.592 1.00 61.03 C ATOM 2016 CZ TYR A 128 -3.017 11.499 -3.275 1.00 13.45 C ATOM 2017 OH TYR A 128 -3.989 11.943 -4.142 1.00 71.12 O ATOM 0 H TYR A 128 0.851 12.466 -0.283 1.00 64.05 H new ATOM 0 HA TYR A 128 -0.950 10.771 1.275 1.00 2.11 H new ATOM 0 HB2 TYR A 128 0.975 10.189 -1.014 1.00 53.55 H new ATOM 0 HB3 TYR A 128 -0.171 9.049 -0.336 1.00 53.55 H new ATOM 0 HD1 TYR A 128 -0.005 12.373 -2.069 1.00 43.11 H new ATOM 0 HD2 TYR A 128 -2.376 8.943 -1.184 1.00 2.03 H new ATOM 0 HE1 TYR A 128 -1.729 13.169 -3.625 1.00 32.35 H new ATOM 0 HE2 TYR A 128 -4.099 9.735 -2.742 1.00 61.03 H new ATOM 0 HH TYR A 128 -3.566 12.366 -4.919 1.00 71.12 H new ATOM 2027 N GLY A 129 2.246 10.921 1.771 1.00 72.32 N ATOM 2028 CA GLY A 129 3.278 10.491 2.696 1.00 30.20 C ATOM 2029 C GLY A 129 4.624 11.142 2.452 1.00 73.43 C ATOM 2030 O GLY A 129 4.772 11.970 1.556 1.00 10.01 O ATOM 0 H GLY A 129 2.498 11.716 1.183 1.00 72.32 H new ATOM 0 HA2 GLY A 129 2.956 10.712 3.714 1.00 30.20 H new ATOM 0 HA3 GLY A 129 3.389 9.409 2.625 1.00 30.20 H new ATOM 2034 N LYS A 130 5.609 10.747 3.253 1.00 54.03 N ATOM 2035 CA LYS A 130 6.963 11.284 3.169 1.00 34.22 C ATOM 2036 C LYS A 130 7.688 10.747 1.938 1.00 60.22 C ATOM 2037 O LYS A 130 7.699 9.539 1.688 1.00 13.32 O ATOM 2038 CB LYS A 130 7.734 10.911 4.444 1.00 30.35 C ATOM 2039 CG LYS A 130 9.241 11.118 4.363 1.00 64.54 C ATOM 2040 CD LYS A 130 9.946 10.470 5.543 1.00 4.02 C ATOM 2041 CE LYS A 130 11.451 10.411 5.338 1.00 34.11 C ATOM 2042 NZ LYS A 130 12.105 9.472 6.289 1.00 52.20 N ATOM 0 H LYS A 130 5.490 10.043 3.981 1.00 54.03 H new ATOM 0 HA LYS A 130 6.908 12.369 3.078 1.00 34.22 H new ATOM 0 HB2 LYS A 130 7.344 11.502 5.273 1.00 30.35 H new ATOM 0 HB3 LYS A 130 7.537 9.865 4.678 1.00 30.35 H new ATOM 0 HG2 LYS A 130 9.620 10.696 3.432 1.00 64.54 H new ATOM 0 HG3 LYS A 130 9.464 12.185 4.343 1.00 64.54 H new ATOM 0 HD2 LYS A 130 9.725 11.030 6.451 1.00 4.02 H new ATOM 0 HD3 LYS A 130 9.559 9.461 5.688 1.00 4.02 H new ATOM 0 HE2 LYS A 130 11.666 10.100 4.316 1.00 34.11 H new ATOM 0 HE3 LYS A 130 11.874 11.408 5.464 1.00 34.11 H new ATOM 0 HZ1 LYS A 130 13.133 9.632 6.283 1.00 52.20 H new ATOM 0 HZ2 LYS A 130 11.735 9.634 7.247 1.00 52.20 H new ATOM 0 HZ3 LYS A 130 11.905 8.492 6.002 1.00 52.20 H new ATOM 2056 N ILE A 131 8.298 11.645 1.182 1.00 72.42 N ATOM 2057 CA ILE A 131 9.039 11.267 -0.011 1.00 23.32 C ATOM 2058 C ILE A 131 10.541 11.301 0.274 1.00 45.11 C ATOM 2059 O ILE A 131 11.028 12.197 0.957 1.00 32.25 O ATOM 2060 CB ILE A 131 8.698 12.202 -1.199 1.00 54.45 C ATOM 2061 CG1 ILE A 131 7.203 12.113 -1.526 1.00 24.41 C ATOM 2062 CG2 ILE A 131 9.534 11.855 -2.423 1.00 64.11 C ATOM 2063 CD1 ILE A 131 6.767 13.005 -2.671 1.00 21.24 C ATOM 0 H ILE A 131 8.294 12.647 1.375 1.00 72.42 H new ATOM 0 HA ILE A 131 8.750 10.253 -0.286 1.00 23.32 H new ATOM 0 HB ILE A 131 8.935 13.226 -0.910 1.00 54.45 H new ATOM 0 HG12 ILE A 131 6.956 11.080 -1.770 1.00 24.41 H new ATOM 0 HG13 ILE A 131 6.631 12.376 -0.636 1.00 24.41 H new ATOM 0 HG21 ILE A 131 9.275 12.526 -3.242 1.00 64.11 H new ATOM 0 HG22 ILE A 131 10.592 11.965 -2.184 1.00 64.11 H new ATOM 0 HG23 ILE A 131 9.334 10.825 -2.720 1.00 64.11 H new ATOM 0 HD11 ILE A 131 5.697 12.884 -2.839 1.00 21.24 H new ATOM 0 HD12 ILE A 131 6.980 14.045 -2.424 1.00 21.24 H new ATOM 0 HD13 ILE A 131 7.310 12.729 -3.575 1.00 21.24 H new ATOM 2075 N GLU A 132 11.263 10.307 -0.225 1.00 32.34 N ATOM 2076 CA GLU A 132 12.705 10.238 -0.025 1.00 21.52 C ATOM 2077 C GLU A 132 13.435 11.045 -1.091 1.00 73.42 C ATOM 2078 O GLU A 132 14.322 11.839 -0.780 1.00 60.33 O ATOM 2079 CB GLU A 132 13.194 8.792 -0.050 1.00 2.12 C ATOM 2080 CG GLU A 132 12.537 7.912 0.992 1.00 52.32 C ATOM 2081 CD GLU A 132 13.328 6.652 1.260 1.00 54.14 C ATOM 2082 OE1 GLU A 132 13.338 5.754 0.396 1.00 74.25 O ATOM 2083 OE2 GLU A 132 13.961 6.562 2.330 1.00 12.21 O ATOM 0 H GLU A 132 10.875 9.538 -0.771 1.00 32.34 H new ATOM 0 HA GLU A 132 12.923 10.663 0.955 1.00 21.52 H new ATOM 0 HB2 GLU A 132 13.008 8.371 -1.038 1.00 2.12 H new ATOM 0 HB3 GLU A 132 14.273 8.779 0.104 1.00 2.12 H new ATOM 0 HG2 GLU A 132 12.426 8.473 1.920 1.00 52.32 H new ATOM 0 HG3 GLU A 132 11.534 7.645 0.659 1.00 52.32 H new ATOM 2090 N VAL A 133 13.055 10.838 -2.343 1.00 31.23 N ATOM 2091 CA VAL A 133 13.663 11.546 -3.456 1.00 44.32 C ATOM 2092 C VAL A 133 12.724 11.517 -4.665 1.00 25.35 C ATOM 2093 O VAL A 133 11.846 10.654 -4.758 1.00 50.44 O ATOM 2094 CB VAL A 133 15.054 10.946 -3.816 1.00 33.32 C ATOM 2095 CG1 VAL A 133 14.930 9.640 -4.587 1.00 4.23 C ATOM 2096 CG2 VAL A 133 15.900 11.948 -4.585 1.00 54.44 C ATOM 0 H VAL A 133 12.323 10.181 -2.613 1.00 31.23 H new ATOM 0 HA VAL A 133 13.824 12.583 -3.160 1.00 44.32 H new ATOM 0 HB VAL A 133 15.558 10.722 -2.876 1.00 33.32 H new ATOM 0 HG11 VAL A 133 15.924 9.257 -4.817 1.00 4.23 H new ATOM 0 HG12 VAL A 133 14.391 8.910 -3.982 1.00 4.23 H new ATOM 0 HG13 VAL A 133 14.385 9.815 -5.515 1.00 4.23 H new ATOM 0 HG21 VAL A 133 16.866 11.502 -4.823 1.00 54.44 H new ATOM 0 HG22 VAL A 133 15.390 12.222 -5.508 1.00 54.44 H new ATOM 0 HG23 VAL A 133 16.052 12.839 -3.976 1.00 54.44 H new ATOM 2106 N ILE A 134 12.888 12.470 -5.566 1.00 12.54 N ATOM 2107 CA ILE A 134 12.062 12.536 -6.758 1.00 12.51 C ATOM 2108 C ILE A 134 12.915 12.293 -7.994 1.00 32.51 C ATOM 2109 O ILE A 134 13.938 12.947 -8.201 1.00 52.20 O ATOM 2110 CB ILE A 134 11.311 13.889 -6.883 1.00 51.22 C ATOM 2111 CG1 ILE A 134 10.181 13.984 -5.853 1.00 13.54 C ATOM 2112 CG2 ILE A 134 10.745 14.080 -8.286 1.00 15.14 C ATOM 2113 CD1 ILE A 134 10.610 14.518 -4.505 1.00 12.22 C ATOM 0 H ILE A 134 13.587 13.210 -5.494 1.00 12.54 H new ATOM 0 HA ILE A 134 11.306 11.756 -6.674 1.00 12.51 H new ATOM 0 HB ILE A 134 12.034 14.681 -6.689 1.00 51.22 H new ATOM 0 HG12 ILE A 134 9.395 14.626 -6.251 1.00 13.54 H new ATOM 0 HG13 ILE A 134 9.746 12.994 -5.717 1.00 13.54 H new ATOM 0 HG21 ILE A 134 10.225 15.036 -8.341 1.00 15.14 H new ATOM 0 HG22 ILE A 134 11.558 14.067 -9.011 1.00 15.14 H new ATOM 0 HG23 ILE A 134 10.046 13.274 -8.509 1.00 15.14 H new ATOM 0 HD11 ILE A 134 9.750 14.552 -3.837 1.00 12.22 H new ATOM 0 HD12 ILE A 134 11.373 13.865 -4.081 1.00 12.22 H new ATOM 0 HD13 ILE A 134 11.017 15.522 -4.624 1.00 12.22 H new ATOM 2125 N GLU A 135 12.491 11.335 -8.793 1.00 62.44 N ATOM 2126 CA GLU A 135 13.185 10.985 -10.013 1.00 74.33 C ATOM 2127 C GLU A 135 12.501 11.619 -11.218 1.00 22.55 C ATOM 2128 O GLU A 135 11.439 11.178 -11.646 1.00 32.21 O ATOM 2129 CB GLU A 135 13.193 9.465 -10.160 1.00 33.21 C ATOM 2130 CG GLU A 135 14.205 8.769 -9.275 1.00 10.11 C ATOM 2131 CD GLU A 135 14.225 7.271 -9.493 1.00 1.15 C ATOM 2132 OE1 GLU A 135 14.774 6.819 -10.515 1.00 15.11 O ATOM 2133 OE2 GLU A 135 13.694 6.532 -8.641 1.00 53.31 O ATOM 0 H GLU A 135 11.656 10.778 -8.614 1.00 62.44 H new ATOM 0 HA GLU A 135 14.208 11.359 -9.965 1.00 74.33 H new ATOM 0 HB2 GLU A 135 12.199 9.082 -9.929 1.00 33.21 H new ATOM 0 HB3 GLU A 135 13.399 9.211 -11.200 1.00 33.21 H new ATOM 0 HG2 GLU A 135 15.197 9.176 -9.472 1.00 10.11 H new ATOM 0 HG3 GLU A 135 13.976 8.979 -8.230 1.00 10.11 H new ATOM 2140 N ILE A 136 13.100 12.656 -11.765 1.00 52.25 N ATOM 2141 CA ILE A 136 12.563 13.280 -12.960 1.00 35.12 C ATOM 2142 C ILE A 136 13.241 12.687 -14.182 1.00 62.54 C ATOM 2143 O ILE A 136 14.466 12.721 -14.293 1.00 53.21 O ATOM 2144 CB ILE A 136 12.757 14.815 -12.952 1.00 54.03 C ATOM 2145 CG1 ILE A 136 12.122 15.444 -11.701 1.00 53.33 C ATOM 2146 CG2 ILE A 136 12.165 15.432 -14.214 1.00 44.40 C ATOM 2147 CD1 ILE A 136 10.609 15.354 -11.655 1.00 3.50 C ATOM 0 H ILE A 136 13.953 13.084 -11.406 1.00 52.25 H new ATOM 0 HA ILE A 136 11.491 13.085 -12.987 1.00 35.12 H new ATOM 0 HB ILE A 136 13.827 15.021 -12.930 1.00 54.03 H new ATOM 0 HG12 ILE A 136 12.530 14.955 -10.816 1.00 53.33 H new ATOM 0 HG13 ILE A 136 12.413 16.493 -11.649 1.00 53.33 H new ATOM 0 HG21 ILE A 136 12.310 16.512 -14.193 1.00 44.40 H new ATOM 0 HG22 ILE A 136 12.662 15.016 -15.090 1.00 44.40 H new ATOM 0 HG23 ILE A 136 11.099 15.209 -14.262 1.00 44.40 H new ATOM 0 HD11 ILE A 136 10.244 15.821 -10.740 1.00 3.50 H new ATOM 0 HD12 ILE A 136 10.187 15.869 -12.518 1.00 3.50 H new ATOM 0 HD13 ILE A 136 10.306 14.307 -11.673 1.00 3.50 H new ATOM 2159 N MET A 137 12.459 12.128 -15.091 1.00 44.42 N ATOM 2160 CA MET A 137 13.023 11.506 -16.271 1.00 3.22 C ATOM 2161 C MET A 137 12.999 12.493 -17.426 1.00 45.35 C ATOM 2162 O MET A 137 11.966 13.092 -17.730 1.00 11.43 O ATOM 2163 CB MET A 137 12.256 10.233 -16.637 1.00 40.21 C ATOM 2164 CG MET A 137 11.980 9.316 -15.451 1.00 70.02 C ATOM 2165 SD MET A 137 13.465 8.862 -14.528 1.00 65.11 S ATOM 2166 CE MET A 137 14.407 8.002 -15.783 1.00 54.42 C ATOM 0 H MET A 137 11.441 12.093 -15.033 1.00 44.42 H new ATOM 0 HA MET A 137 14.055 11.224 -16.061 1.00 3.22 H new ATOM 0 HB2 MET A 137 11.308 10.511 -17.097 1.00 40.21 H new ATOM 0 HB3 MET A 137 12.824 9.681 -17.386 1.00 40.21 H new ATOM 0 HG2 MET A 137 11.279 9.809 -14.777 1.00 70.02 H new ATOM 0 HG3 MET A 137 11.493 8.409 -15.809 1.00 70.02 H new ATOM 0 HE1 MET A 137 15.254 7.496 -15.319 1.00 54.42 H new ATOM 0 HE2 MET A 137 13.771 7.267 -16.276 1.00 54.42 H new ATOM 0 HE3 MET A 137 14.771 8.718 -16.519 1.00 54.42 H new ATOM 2176 N THR A 138 14.144 12.671 -18.053 1.00 53.20 N ATOM 2177 CA THR A 138 14.289 13.661 -19.097 1.00 40.03 C ATOM 2178 C THR A 138 13.953 13.080 -20.467 1.00 73.12 C ATOM 2179 O THR A 138 14.053 11.872 -20.695 1.00 31.21 O ATOM 2180 CB THR A 138 15.727 14.216 -19.120 1.00 44.43 C ATOM 2181 OG1 THR A 138 16.305 14.126 -17.809 1.00 62.33 O ATOM 2182 CG2 THR A 138 15.744 15.668 -19.579 1.00 35.21 C ATOM 0 H THR A 138 14.991 12.139 -17.855 1.00 53.20 H new ATOM 0 HA THR A 138 13.589 14.467 -18.879 1.00 40.03 H new ATOM 0 HB THR A 138 16.309 13.621 -19.823 1.00 44.43 H new ATOM 0 HG1 THR A 138 17.219 14.478 -17.830 1.00 62.33 H new ATOM 0 HG21 THR A 138 16.770 16.035 -19.586 1.00 35.21 H new ATOM 0 HG22 THR A 138 15.327 15.737 -20.584 1.00 35.21 H new ATOM 0 HG23 THR A 138 15.147 16.272 -18.896 1.00 35.21 H new ATOM 2319 N GLY A 147 7.426 13.563 -20.350 1.00 34.02 N ATOM 2320 CA GLY A 147 7.137 12.225 -20.817 1.00 31.55 C ATOM 2321 C GLY A 147 6.745 11.287 -19.700 1.00 2.33 C ATOM 2322 O GLY A 147 5.734 10.586 -19.812 1.00 45.30 O ATOM 0 HA2 GLY A 147 6.331 12.267 -21.550 1.00 31.55 H new ATOM 0 HA3 GLY A 147 8.013 11.827 -21.329 1.00 31.55 H new ATOM 2326 N PHE A 148 7.497 11.309 -18.601 1.00 55.51 N ATOM 2327 CA PHE A 148 7.196 10.493 -17.435 1.00 61.12 C ATOM 2328 C PHE A 148 8.160 10.831 -16.303 1.00 60.30 C ATOM 2329 O PHE A 148 9.264 11.321 -16.540 1.00 51.45 O ATOM 2330 CB PHE A 148 7.254 8.982 -17.757 1.00 43.41 C ATOM 2331 CG PHE A 148 8.578 8.474 -18.280 1.00 34.52 C ATOM 2332 CD1 PHE A 148 8.996 8.767 -19.571 1.00 31.42 C ATOM 2333 CD2 PHE A 148 9.396 7.689 -17.483 1.00 22.41 C ATOM 2334 CE1 PHE A 148 10.198 8.290 -20.054 1.00 72.32 C ATOM 2335 CE2 PHE A 148 10.600 7.205 -17.965 1.00 52.22 C ATOM 2336 CZ PHE A 148 11.002 7.510 -19.250 1.00 14.21 C ATOM 0 H PHE A 148 8.328 11.892 -18.498 1.00 55.51 H new ATOM 0 HA PHE A 148 6.176 10.720 -17.124 1.00 61.12 H new ATOM 0 HB2 PHE A 148 7.004 8.427 -16.853 1.00 43.41 H new ATOM 0 HB3 PHE A 148 6.483 8.756 -18.493 1.00 43.41 H new ATOM 0 HD1 PHE A 148 8.372 9.377 -20.207 1.00 31.42 H new ATOM 0 HD2 PHE A 148 9.091 7.452 -16.474 1.00 22.41 H new ATOM 0 HE1 PHE A 148 10.508 8.528 -21.061 1.00 72.32 H new ATOM 0 HE2 PHE A 148 11.225 6.589 -17.336 1.00 52.22 H new ATOM 0 HZ PHE A 148 11.944 7.138 -19.625 1.00 14.21 H new ATOM 2346 N ALA A 149 7.725 10.585 -15.083 1.00 32.11 N ATOM 2347 CA ALA A 149 8.528 10.827 -13.903 1.00 1.15 C ATOM 2348 C ALA A 149 8.398 9.653 -12.941 1.00 0.44 C ATOM 2349 O ALA A 149 7.583 8.750 -13.149 1.00 75.13 O ATOM 2350 CB ALA A 149 8.106 12.130 -13.228 1.00 33.43 C ATOM 0 H ALA A 149 6.798 10.209 -14.882 1.00 32.11 H new ATOM 0 HA ALA A 149 9.573 10.923 -14.198 1.00 1.15 H new ATOM 0 HB1 ALA A 149 8.720 12.297 -12.343 1.00 33.43 H new ATOM 0 HB2 ALA A 149 8.239 12.959 -13.923 1.00 33.43 H new ATOM 0 HB3 ALA A 149 7.058 12.066 -12.936 1.00 33.43 H new ATOM 2356 N PHE A 150 9.206 9.671 -11.901 1.00 3.02 N ATOM 2357 CA PHE A 150 9.200 8.634 -10.887 1.00 72.22 C ATOM 2358 C PHE A 150 9.311 9.259 -9.502 1.00 34.15 C ATOM 2359 O PHE A 150 9.961 10.285 -9.323 1.00 52.03 O ATOM 2360 CB PHE A 150 10.353 7.655 -11.117 1.00 53.43 C ATOM 2361 CG PHE A 150 10.093 6.630 -12.183 1.00 11.02 C ATOM 2362 CD1 PHE A 150 9.370 5.485 -11.899 1.00 1.51 C ATOM 2363 CD2 PHE A 150 10.577 6.808 -13.465 1.00 23.53 C ATOM 2364 CE1 PHE A 150 9.136 4.538 -12.876 1.00 72.13 C ATOM 2365 CE2 PHE A 150 10.347 5.865 -14.446 1.00 14.12 C ATOM 2366 CZ PHE A 150 9.624 4.727 -14.152 1.00 52.43 C ATOM 0 H PHE A 150 9.890 10.409 -11.734 1.00 3.02 H new ATOM 0 HA PHE A 150 8.261 8.085 -10.954 1.00 72.22 H new ATOM 0 HB2 PHE A 150 11.246 8.220 -11.384 1.00 53.43 H new ATOM 0 HB3 PHE A 150 10.569 7.141 -10.181 1.00 53.43 H new ATOM 0 HD1 PHE A 150 8.984 5.330 -10.902 1.00 1.51 H new ATOM 0 HD2 PHE A 150 11.143 7.697 -13.702 1.00 23.53 H new ATOM 0 HE1 PHE A 150 8.570 3.649 -12.641 1.00 72.13 H new ATOM 0 HE2 PHE A 150 10.733 6.018 -15.443 1.00 14.12 H new ATOM 0 HZ PHE A 150 9.441 3.988 -14.918 1.00 52.43 H new ATOM 2376 N VAL A 151 8.663 8.655 -8.527 1.00 54.14 N ATOM 2377 CA VAL A 151 8.668 9.184 -7.167 1.00 73.22 C ATOM 2378 C VAL A 151 9.034 8.093 -6.164 1.00 12.11 C ATOM 2379 O VAL A 151 8.471 6.996 -6.192 1.00 1.34 O ATOM 2380 CB VAL A 151 7.301 9.812 -6.791 1.00 34.54 C ATOM 2381 CG1 VAL A 151 7.325 10.386 -5.381 1.00 14.44 C ATOM 2382 CG2 VAL A 151 6.914 10.889 -7.791 1.00 45.25 C ATOM 0 H VAL A 151 8.124 7.797 -8.645 1.00 54.14 H new ATOM 0 HA VAL A 151 9.422 9.970 -7.129 1.00 73.22 H new ATOM 0 HB VAL A 151 6.553 9.020 -6.821 1.00 34.54 H new ATOM 0 HG11 VAL A 151 6.352 10.819 -5.148 1.00 14.44 H new ATOM 0 HG12 VAL A 151 7.549 9.592 -4.669 1.00 14.44 H new ATOM 0 HG13 VAL A 151 8.091 11.159 -5.316 1.00 14.44 H new ATOM 0 HG21 VAL A 151 5.952 11.318 -7.510 1.00 45.25 H new ATOM 0 HG22 VAL A 151 7.673 11.672 -7.795 1.00 45.25 H new ATOM 0 HG23 VAL A 151 6.839 10.451 -8.786 1.00 45.25 H new ATOM 2392 N THR A 152 9.989 8.406 -5.297 1.00 23.23 N ATOM 2393 CA THR A 152 10.471 7.472 -4.291 1.00 71.32 C ATOM 2394 C THR A 152 9.927 7.840 -2.911 1.00 5.41 C ATOM 2395 O THR A 152 10.198 8.922 -2.404 1.00 64.11 O ATOM 2396 CB THR A 152 12.010 7.488 -4.241 1.00 63.24 C ATOM 2397 OG1 THR A 152 12.550 7.163 -5.528 1.00 51.12 O ATOM 2398 CG2 THR A 152 12.535 6.516 -3.200 1.00 4.03 C ATOM 0 H THR A 152 10.450 9.315 -5.273 1.00 23.23 H new ATOM 0 HA THR A 152 10.123 6.476 -4.563 1.00 71.32 H new ATOM 0 HB THR A 152 12.327 8.493 -3.961 1.00 63.24 H new ATOM 0 HG1 THR A 152 13.529 7.178 -5.485 1.00 51.12 H new ATOM 0 HG21 THR A 152 13.624 6.549 -3.188 1.00 4.03 H new ATOM 0 HG22 THR A 152 12.152 6.793 -2.218 1.00 4.03 H new ATOM 0 HG23 THR A 152 12.206 5.506 -3.446 1.00 4.03 H new ATOM 2406 N PHE A 153 9.183 6.933 -2.305 1.00 22.33 N ATOM 2407 CA PHE A 153 8.570 7.179 -1.010 1.00 10.40 C ATOM 2408 C PHE A 153 9.331 6.483 0.105 1.00 1.31 C ATOM 2409 O PHE A 153 10.065 5.529 -0.132 1.00 44.15 O ATOM 2410 CB PHE A 153 7.127 6.693 -1.009 1.00 63.23 C ATOM 2411 CG PHE A 153 6.136 7.746 -1.391 1.00 44.02 C ATOM 2412 CD1 PHE A 153 5.680 8.643 -0.447 1.00 2.41 C ATOM 2413 CD2 PHE A 153 5.648 7.830 -2.681 1.00 65.41 C ATOM 2414 CE1 PHE A 153 4.754 9.605 -0.775 1.00 70.54 C ATOM 2415 CE2 PHE A 153 4.716 8.789 -3.017 1.00 44.44 C ATOM 2416 CZ PHE A 153 4.269 9.677 -2.059 1.00 71.21 C ATOM 0 H PHE A 153 8.987 6.010 -2.693 1.00 22.33 H new ATOM 0 HA PHE A 153 8.598 8.254 -0.833 1.00 10.40 H new ATOM 0 HB2 PHE A 153 7.035 5.854 -1.698 1.00 63.23 H new ATOM 0 HB3 PHE A 153 6.880 6.318 -0.016 1.00 63.23 H new ATOM 0 HD1 PHE A 153 6.056 8.589 0.564 1.00 2.41 H new ATOM 0 HD2 PHE A 153 6.000 7.139 -3.433 1.00 65.41 H new ATOM 0 HE1 PHE A 153 4.409 10.302 -0.026 1.00 70.54 H new ATOM 0 HE2 PHE A 153 4.337 8.845 -4.027 1.00 44.44 H new ATOM 0 HZ PHE A 153 3.538 10.428 -2.319 1.00 71.21 H new ATOM 2426 N ASP A 154 9.137 6.971 1.320 1.00 23.15 N ATOM 2427 CA ASP A 154 9.766 6.399 2.506 1.00 51.42 C ATOM 2428 C ASP A 154 9.039 5.128 2.939 1.00 43.33 C ATOM 2429 O ASP A 154 9.638 4.204 3.499 1.00 55.34 O ATOM 2430 CB ASP A 154 9.750 7.445 3.626 1.00 22.01 C ATOM 2431 CG ASP A 154 10.191 6.913 4.975 1.00 62.34 C ATOM 2432 OD1 ASP A 154 11.404 6.924 5.258 1.00 65.13 O ATOM 2433 OD2 ASP A 154 9.320 6.527 5.779 1.00 60.12 O ATOM 0 H ASP A 154 8.540 7.775 1.515 1.00 23.15 H new ATOM 0 HA ASP A 154 10.797 6.127 2.279 1.00 51.42 H new ATOM 0 HB2 ASP A 154 10.400 8.274 3.344 1.00 22.01 H new ATOM 0 HB3 ASP A 154 8.741 7.848 3.718 1.00 22.01 H new ATOM 2438 N ASP A 155 7.750 5.082 2.646 1.00 5.42 N ATOM 2439 CA ASP A 155 6.924 3.946 3.013 1.00 52.11 C ATOM 2440 C ASP A 155 6.122 3.468 1.812 1.00 44.45 C ATOM 2441 O ASP A 155 5.861 4.234 0.884 1.00 65.22 O ATOM 2442 CB ASP A 155 5.983 4.312 4.160 1.00 14.15 C ATOM 2443 CG ASP A 155 5.521 3.094 4.933 1.00 10.23 C ATOM 2444 OD1 ASP A 155 4.609 2.393 4.462 1.00 41.50 O ATOM 2445 OD2 ASP A 155 6.085 2.821 6.009 1.00 31.35 O ATOM 0 H ASP A 155 7.252 5.823 2.152 1.00 5.42 H new ATOM 0 HA ASP A 155 7.578 3.140 3.345 1.00 52.11 H new ATOM 0 HB2 ASP A 155 6.489 4.999 4.838 1.00 14.15 H new ATOM 0 HB3 ASP A 155 5.115 4.838 3.762 1.00 14.15 H new ATOM 2450 N HIS A 156 5.738 2.200 1.835 1.00 43.11 N ATOM 2451 CA HIS A 156 4.990 1.601 0.736 1.00 4.13 C ATOM 2452 C HIS A 156 3.521 2.018 0.798 1.00 72.40 C ATOM 2453 O HIS A 156 2.835 2.074 -0.224 1.00 64.32 O ATOM 2454 CB HIS A 156 5.119 0.063 0.768 1.00 62.14 C ATOM 2455 CG HIS A 156 4.573 -0.579 2.019 1.00 71.15 C ATOM 2456 ND1 HIS A 156 3.224 -0.661 2.258 1.00 12.13 N ATOM 2457 CD2 HIS A 156 5.235 -1.097 3.078 1.00 23.52 C ATOM 2458 CE1 HIS A 156 3.100 -1.209 3.446 1.00 2.05 C ATOM 2459 NE2 HIS A 156 4.288 -1.493 3.982 1.00 72.43 N ATOM 0 H HIS A 156 5.933 1.562 2.607 1.00 43.11 H new ATOM 0 HA HIS A 156 5.410 1.961 -0.203 1.00 4.13 H new ATOM 0 HB2 HIS A 156 4.599 -0.352 -0.096 1.00 62.14 H new ATOM 0 HB3 HIS A 156 6.171 -0.204 0.666 1.00 62.14 H new ATOM 0 HD1 HIS A 156 2.471 -0.358 1.640 1.00 12.13 H new ATOM 0 HD2 HIS A 156 6.306 -1.182 3.189 1.00 23.52 H new ATOM 0 HE1 HIS A 156 2.154 -1.405 3.928 1.00 2.05 H new ATOM 2467 N ASP A 157 3.064 2.331 2.012 1.00 11.14 N ATOM 2468 CA ASP A 157 1.670 2.678 2.265 1.00 13.22 C ATOM 2469 C ASP A 157 1.245 3.901 1.463 1.00 4.52 C ATOM 2470 O ASP A 157 0.156 3.924 0.887 1.00 44.23 O ATOM 2471 CB ASP A 157 1.451 2.906 3.767 1.00 55.54 C ATOM 2472 CG ASP A 157 0.341 3.893 4.061 1.00 22.04 C ATOM 2473 OD1 ASP A 157 -0.842 3.570 3.823 1.00 64.54 O ATOM 2474 OD2 ASP A 157 0.647 5.007 4.524 1.00 25.23 O ATOM 0 H ASP A 157 3.652 2.350 2.845 1.00 11.14 H new ATOM 0 HA ASP A 157 1.047 1.845 1.940 1.00 13.22 H new ATOM 0 HB2 ASP A 157 1.218 1.954 4.243 1.00 55.54 H new ATOM 0 HB3 ASP A 157 2.378 3.267 4.213 1.00 55.54 H new ATOM 2479 N SER A 158 2.115 4.902 1.400 1.00 1.14 N ATOM 2480 CA SER A 158 1.823 6.120 0.668 1.00 12.22 C ATOM 2481 C SER A 158 1.715 5.843 -0.831 1.00 35.21 C ATOM 2482 O SER A 158 0.872 6.424 -1.516 1.00 52.11 O ATOM 2483 CB SER A 158 2.917 7.143 0.934 1.00 74.51 C ATOM 2484 OG SER A 158 3.249 7.184 2.314 1.00 22.12 O ATOM 0 H SER A 158 3.030 4.890 1.850 1.00 1.14 H new ATOM 0 HA SER A 158 0.865 6.513 1.008 1.00 12.22 H new ATOM 0 HB2 SER A 158 3.803 6.894 0.350 1.00 74.51 H new ATOM 0 HB3 SER A 158 2.586 8.128 0.606 1.00 74.51 H new ATOM 0 HG SER A 158 4.191 7.434 2.417 1.00 22.12 H new ATOM 2490 N VAL A 159 2.529 4.905 -1.318 1.00 34.20 N ATOM 2491 CA VAL A 159 2.528 4.547 -2.723 1.00 73.24 C ATOM 2492 C VAL A 159 1.240 3.825 -3.066 1.00 43.42 C ATOM 2493 O VAL A 159 0.628 4.074 -4.103 1.00 61.14 O ATOM 2494 CB VAL A 159 3.754 3.666 -3.057 1.00 4.10 C ATOM 2495 CG1 VAL A 159 3.496 2.714 -4.222 1.00 63.14 C ATOM 2496 CG2 VAL A 159 4.937 4.555 -3.355 1.00 73.02 C ATOM 0 H VAL A 159 3.197 4.382 -0.752 1.00 34.20 H new ATOM 0 HA VAL A 159 2.592 5.456 -3.322 1.00 73.24 H new ATOM 0 HB VAL A 159 3.962 3.042 -2.188 1.00 4.10 H new ATOM 0 HG11 VAL A 159 4.390 2.121 -4.412 1.00 63.14 H new ATOM 0 HG12 VAL A 159 2.667 2.051 -3.974 1.00 63.14 H new ATOM 0 HG13 VAL A 159 3.246 3.289 -5.113 1.00 63.14 H new ATOM 0 HG21 VAL A 159 5.805 3.939 -3.591 1.00 73.02 H new ATOM 0 HG22 VAL A 159 4.705 5.196 -4.205 1.00 73.02 H new ATOM 0 HG23 VAL A 159 5.157 5.172 -2.484 1.00 73.02 H new ATOM 2506 N ASP A 160 0.824 2.959 -2.162 1.00 62.20 N ATOM 2507 CA ASP A 160 -0.368 2.171 -2.375 1.00 11.14 C ATOM 2508 C ASP A 160 -1.628 3.031 -2.293 1.00 11.01 C ATOM 2509 O ASP A 160 -2.600 2.763 -2.990 1.00 61.12 O ATOM 2510 CB ASP A 160 -0.440 1.014 -1.402 1.00 31.11 C ATOM 2511 CG ASP A 160 -0.897 -0.249 -2.096 1.00 24.40 C ATOM 2512 OD1 ASP A 160 -0.040 -0.954 -2.670 1.00 10.15 O ATOM 2513 OD2 ASP A 160 -2.108 -0.524 -2.092 1.00 14.41 O ATOM 0 H ASP A 160 1.296 2.786 -1.274 1.00 62.20 H new ATOM 0 HA ASP A 160 -0.312 1.760 -3.383 1.00 11.14 H new ATOM 0 HB2 ASP A 160 0.539 0.852 -0.951 1.00 31.11 H new ATOM 0 HB3 ASP A 160 -1.128 1.257 -0.592 1.00 31.11 H new ATOM 2518 N LYS A 161 -1.597 4.085 -1.463 1.00 4.30 N ATOM 2519 CA LYS A 161 -2.681 5.081 -1.442 1.00 63.51 C ATOM 2520 C LYS A 161 -2.875 5.666 -2.838 1.00 13.10 C ATOM 2521 O LYS A 161 -3.993 5.932 -3.280 1.00 50.10 O ATOM 2522 CB LYS A 161 -2.369 6.250 -0.497 1.00 20.53 C ATOM 2523 CG LYS A 161 -2.239 5.909 0.981 1.00 21.41 C ATOM 2524 CD LYS A 161 -2.143 7.192 1.807 1.00 2.35 C ATOM 2525 CE LYS A 161 -1.334 7.017 3.087 1.00 10.31 C ATOM 2526 NZ LYS A 161 -2.004 6.132 4.071 1.00 0.22 N ATOM 0 H LYS A 161 -0.841 4.269 -0.803 1.00 4.30 H new ATOM 0 HA LYS A 161 -3.577 4.565 -1.096 1.00 63.51 H new ATOM 0 HB2 LYS A 161 -1.439 6.714 -0.824 1.00 20.53 H new ATOM 0 HB3 LYS A 161 -3.154 6.998 -0.607 1.00 20.53 H new ATOM 0 HG2 LYS A 161 -3.099 5.322 1.304 1.00 21.41 H new ATOM 0 HG3 LYS A 161 -1.354 5.294 1.144 1.00 21.41 H new ATOM 0 HD2 LYS A 161 -1.688 7.975 1.200 1.00 2.35 H new ATOM 0 HD3 LYS A 161 -3.148 7.530 2.062 1.00 2.35 H new ATOM 0 HE2 LYS A 161 -0.356 6.604 2.840 1.00 10.31 H new ATOM 0 HE3 LYS A 161 -1.163 7.993 3.540 1.00 10.31 H new ATOM 0 HZ1 LYS A 161 -1.738 6.420 5.034 1.00 0.22 H new ATOM 0 HZ2 LYS A 161 -3.035 6.207 3.960 1.00 0.22 H new ATOM 0 HZ3 LYS A 161 -1.709 5.148 3.910 1.00 0.22 H new ATOM 2540 N ILE A 162 -1.753 5.854 -3.515 1.00 12.54 N ATOM 2541 CA ILE A 162 -1.716 6.475 -4.825 1.00 43.51 C ATOM 2542 C ILE A 162 -2.108 5.507 -5.944 1.00 22.13 C ATOM 2543 O ILE A 162 -2.895 5.864 -6.812 1.00 52.34 O ATOM 2544 CB ILE A 162 -0.311 7.057 -5.076 1.00 13.14 C ATOM 2545 CG1 ILE A 162 -0.108 8.282 -4.193 1.00 72.33 C ATOM 2546 CG2 ILE A 162 -0.096 7.404 -6.539 1.00 71.10 C ATOM 2547 CD1 ILE A 162 1.326 8.499 -3.795 1.00 44.20 C ATOM 0 H ILE A 162 -0.836 5.577 -3.166 1.00 12.54 H new ATOM 0 HA ILE A 162 -2.455 7.276 -4.836 1.00 43.51 H new ATOM 0 HB ILE A 162 0.428 6.297 -4.820 1.00 13.14 H new ATOM 0 HG12 ILE A 162 -0.469 9.165 -4.721 1.00 72.33 H new ATOM 0 HG13 ILE A 162 -0.715 8.178 -3.294 1.00 72.33 H new ATOM 0 HG21 ILE A 162 0.906 7.811 -6.673 1.00 71.10 H new ATOM 0 HG22 ILE A 162 -0.207 6.506 -7.146 1.00 71.10 H new ATOM 0 HG23 ILE A 162 -0.833 8.145 -6.849 1.00 71.10 H new ATOM 0 HD11 ILE A 162 1.399 9.387 -3.168 1.00 44.20 H new ATOM 0 HD12 ILE A 162 1.685 7.632 -3.240 1.00 44.20 H new ATOM 0 HD13 ILE A 162 1.935 8.635 -4.689 1.00 44.20 H new ATOM 2559 N VAL A 163 -1.620 4.269 -5.896 1.00 74.11 N ATOM 2560 CA VAL A 163 -1.830 3.332 -7.009 1.00 21.21 C ATOM 2561 C VAL A 163 -3.266 2.802 -7.022 1.00 4.43 C ATOM 2562 O VAL A 163 -3.711 2.200 -8.004 1.00 40.11 O ATOM 2563 CB VAL A 163 -0.842 2.146 -6.975 1.00 4.41 C ATOM 2564 CG1 VAL A 163 0.588 2.647 -6.986 1.00 14.11 C ATOM 2565 CG2 VAL A 163 -1.097 1.258 -5.770 1.00 14.54 C ATOM 0 H VAL A 163 -1.084 3.891 -5.114 1.00 74.11 H new ATOM 0 HA VAL A 163 -1.646 3.897 -7.923 1.00 21.21 H new ATOM 0 HB VAL A 163 -1.001 1.544 -7.870 1.00 4.41 H new ATOM 0 HG11 VAL A 163 1.271 1.798 -6.962 1.00 14.11 H new ATOM 0 HG12 VAL A 163 0.763 3.228 -7.892 1.00 14.11 H new ATOM 0 HG13 VAL A 163 0.760 3.276 -6.113 1.00 14.11 H new ATOM 0 HG21 VAL A 163 -0.387 0.431 -5.771 1.00 14.54 H new ATOM 0 HG22 VAL A 163 -0.975 1.840 -4.857 1.00 14.54 H new ATOM 0 HG23 VAL A 163 -2.113 0.865 -5.816 1.00 14.54 H new ATOM 2575 N ILE A 164 -3.971 3.032 -5.915 1.00 51.40 N ATOM 2576 CA ILE A 164 -5.405 2.775 -5.821 1.00 52.55 C ATOM 2577 C ILE A 164 -6.148 3.546 -6.917 1.00 33.15 C ATOM 2578 O ILE A 164 -7.117 3.059 -7.504 1.00 4.44 O ATOM 2579 CB ILE A 164 -5.930 3.170 -4.412 1.00 51.52 C ATOM 2580 CG1 ILE A 164 -5.597 2.060 -3.406 1.00 5.43 C ATOM 2581 CG2 ILE A 164 -7.428 3.453 -4.424 1.00 53.32 C ATOM 2582 CD1 ILE A 164 -5.806 2.456 -1.961 1.00 32.22 C ATOM 0 H ILE A 164 -3.562 3.402 -5.057 1.00 51.40 H new ATOM 0 HA ILE A 164 -5.587 1.710 -5.965 1.00 52.55 H new ATOM 0 HB ILE A 164 -5.432 4.092 -4.111 1.00 51.52 H new ATOM 0 HG12 ILE A 164 -6.213 1.188 -3.626 1.00 5.43 H new ATOM 0 HG13 ILE A 164 -4.558 1.759 -3.543 1.00 5.43 H new ATOM 0 HG21 ILE A 164 -7.755 3.725 -3.420 1.00 53.32 H new ATOM 0 HG22 ILE A 164 -7.638 4.274 -5.109 1.00 53.32 H new ATOM 0 HG23 ILE A 164 -7.964 2.562 -4.751 1.00 53.32 H new ATOM 0 HD11 ILE A 164 -5.549 1.618 -1.313 1.00 32.22 H new ATOM 0 HD12 ILE A 164 -5.170 3.308 -1.722 1.00 32.22 H new ATOM 0 HD13 ILE A 164 -6.850 2.728 -1.806 1.00 32.22 H new ATOM 2594 N GLN A 165 -5.640 4.727 -7.225 1.00 45.10 N ATOM 2595 CA GLN A 165 -6.201 5.560 -8.269 1.00 3.51 C ATOM 2596 C GLN A 165 -5.186 5.674 -9.399 1.00 14.20 C ATOM 2597 O GLN A 165 -4.205 6.394 -9.283 1.00 63.10 O ATOM 2598 CB GLN A 165 -6.545 6.946 -7.718 1.00 62.05 C ATOM 2599 CG GLN A 165 -7.330 6.903 -6.416 1.00 33.32 C ATOM 2600 CD GLN A 165 -7.654 8.282 -5.879 1.00 22.54 C ATOM 2601 OE1 GLN A 165 -7.824 9.238 -6.636 1.00 21.42 O ATOM 2602 NE2 GLN A 165 -7.737 8.396 -4.566 1.00 30.11 N ATOM 0 H GLN A 165 -4.829 5.133 -6.758 1.00 45.10 H new ATOM 0 HA GLN A 165 -7.120 5.111 -8.645 1.00 3.51 H new ATOM 0 HB2 GLN A 165 -5.622 7.504 -7.559 1.00 62.05 H new ATOM 0 HB3 GLN A 165 -7.123 7.492 -8.464 1.00 62.05 H new ATOM 0 HG2 GLN A 165 -8.258 6.353 -6.575 1.00 33.32 H new ATOM 0 HG3 GLN A 165 -6.757 6.353 -5.670 1.00 33.32 H new ATOM 0 HE21 GLN A 165 -7.589 7.579 -3.973 1.00 30.11 H new ATOM 0 HE22 GLN A 165 -7.949 9.301 -4.145 1.00 30.11 H new ATOM 2611 N LYS A 166 -5.414 4.927 -10.471 1.00 2.00 N ATOM 2612 CA LYS A 166 -4.483 4.858 -11.591 1.00 45.43 C ATOM 2613 C LYS A 166 -4.192 6.225 -12.207 1.00 32.42 C ATOM 2614 O LYS A 166 -3.112 6.456 -12.727 1.00 32.32 O ATOM 2615 CB LYS A 166 -5.050 3.931 -12.651 1.00 40.04 C ATOM 2616 CG LYS A 166 -4.111 3.694 -13.815 1.00 45.22 C ATOM 2617 CD LYS A 166 -4.602 2.569 -14.693 1.00 2.31 C ATOM 2618 CE LYS A 166 -4.266 1.205 -14.107 1.00 51.11 C ATOM 2619 NZ LYS A 166 -5.201 0.791 -13.027 1.00 32.50 N ATOM 0 H LYS A 166 -6.248 4.352 -10.589 1.00 2.00 H new ATOM 0 HA LYS A 166 -3.537 4.476 -11.207 1.00 45.43 H new ATOM 0 HB2 LYS A 166 -5.294 2.973 -12.191 1.00 40.04 H new ATOM 0 HB3 LYS A 166 -5.983 4.351 -13.027 1.00 40.04 H new ATOM 0 HG2 LYS A 166 -4.021 4.606 -14.405 1.00 45.22 H new ATOM 0 HG3 LYS A 166 -3.115 3.458 -13.440 1.00 45.22 H new ATOM 0 HD2 LYS A 166 -5.681 2.653 -14.822 1.00 2.31 H new ATOM 0 HD3 LYS A 166 -4.155 2.659 -15.683 1.00 2.31 H new ATOM 0 HE2 LYS A 166 -4.285 0.459 -14.902 1.00 51.11 H new ATOM 0 HE3 LYS A 166 -3.250 1.225 -13.713 1.00 51.11 H new ATOM 0 HZ1 LYS A 166 -5.331 -0.240 -13.057 1.00 32.50 H new ATOM 0 HZ2 LYS A 166 -4.807 1.063 -12.104 1.00 32.50 H new ATOM 0 HZ3 LYS A 166 -6.119 1.260 -13.164 1.00 32.50 H new ATOM 2633 N TYR A 167 -5.156 7.119 -12.180 1.00 2.13 N ATOM 2634 CA TYR A 167 -4.931 8.455 -12.708 1.00 40.31 C ATOM 2635 C TYR A 167 -5.177 9.501 -11.630 1.00 42.42 C ATOM 2636 O TYR A 167 -6.161 9.421 -10.895 1.00 3.31 O ATOM 2637 CB TYR A 167 -5.836 8.722 -13.920 1.00 45.13 C ATOM 2638 CG TYR A 167 -5.585 7.792 -15.092 1.00 14.21 C ATOM 2639 CD1 TYR A 167 -6.167 6.530 -15.142 1.00 63.44 C ATOM 2640 CD2 TYR A 167 -4.765 8.175 -16.145 1.00 63.01 C ATOM 2641 CE1 TYR A 167 -5.932 5.678 -16.202 1.00 45.22 C ATOM 2642 CE2 TYR A 167 -4.530 7.327 -17.211 1.00 55.32 C ATOM 2643 CZ TYR A 167 -5.117 6.080 -17.234 1.00 21.24 C ATOM 2644 OH TYR A 167 -4.876 5.225 -18.286 1.00 53.54 O ATOM 0 H TYR A 167 -6.090 6.954 -11.805 1.00 2.13 H new ATOM 0 HA TYR A 167 -3.892 8.521 -13.032 1.00 40.31 H new ATOM 0 HB2 TYR A 167 -6.877 8.628 -13.611 1.00 45.13 H new ATOM 0 HB3 TYR A 167 -5.692 9.751 -14.248 1.00 45.13 H new ATOM 0 HD1 TYR A 167 -6.814 6.211 -14.338 1.00 63.44 H new ATOM 0 HD2 TYR A 167 -4.303 9.151 -16.131 1.00 63.01 H new ATOM 0 HE1 TYR A 167 -6.387 4.699 -16.221 1.00 45.22 H new ATOM 0 HE2 TYR A 167 -3.889 7.640 -18.022 1.00 55.32 H new ATOM 0 HH TYR A 167 -3.929 4.974 -18.293 1.00 53.54 H new ATOM 2654 N HIS A 168 -4.278 10.473 -11.541 1.00 54.04 N ATOM 2655 CA HIS A 168 -4.402 11.555 -10.568 1.00 34.52 C ATOM 2656 C HIS A 168 -4.316 12.903 -11.258 1.00 55.40 C ATOM 2657 O HIS A 168 -3.732 13.022 -12.332 1.00 60.15 O ATOM 2658 CB HIS A 168 -3.304 11.479 -9.507 1.00 42.31 C ATOM 2659 CG HIS A 168 -3.477 10.377 -8.514 1.00 74.12 C ATOM 2660 ND1 HIS A 168 -4.218 10.536 -7.368 1.00 14.44 N ATOM 2661 CD2 HIS A 168 -2.966 9.139 -8.536 1.00 54.40 C ATOM 2662 CE1 HIS A 168 -4.136 9.386 -6.726 1.00 43.43 C ATOM 2663 NE2 HIS A 168 -3.386 8.509 -7.398 1.00 21.21 N ATOM 0 H HIS A 168 -3.450 10.536 -12.134 1.00 54.04 H new ATOM 0 HA HIS A 168 -5.373 11.444 -10.086 1.00 34.52 H new ATOM 0 HB2 HIS A 168 -2.343 11.354 -10.005 1.00 42.31 H new ATOM 0 HB3 HIS A 168 -3.265 12.429 -8.974 1.00 42.31 H new ATOM 0 HD2 HIS A 168 -2.340 8.718 -9.308 1.00 54.40 H new ATOM 0 HE1 HIS A 168 -4.614 9.181 -5.779 1.00 43.43 H new ATOM 0 HE2 HIS A 168 -3.168 7.553 -7.116 1.00 21.21 H new ATOM 2671 N THR A 169 -4.901 13.913 -10.644 1.00 33.34 N ATOM 2672 CA THR A 169 -4.799 15.263 -11.158 1.00 12.21 C ATOM 2673 C THR A 169 -3.644 15.998 -10.486 1.00 0.44 C ATOM 2674 O THR A 169 -3.719 16.341 -9.308 1.00 23.55 O ATOM 2675 CB THR A 169 -6.106 16.045 -10.934 1.00 4.23 C ATOM 2676 OG1 THR A 169 -7.225 15.232 -11.314 1.00 51.20 O ATOM 2677 CG2 THR A 169 -6.112 17.338 -11.740 1.00 1.05 C ATOM 0 H THR A 169 -5.451 13.824 -9.790 1.00 33.34 H new ATOM 0 HA THR A 169 -4.614 15.197 -12.230 1.00 12.21 H new ATOM 0 HB THR A 169 -6.179 16.300 -9.877 1.00 4.23 H new ATOM 0 HG1 THR A 169 -8.056 15.731 -11.169 1.00 51.20 H new ATOM 0 HG21 THR A 169 -7.046 17.872 -11.564 1.00 1.05 H new ATOM 0 HG22 THR A 169 -5.273 17.963 -11.432 1.00 1.05 H new ATOM 0 HG23 THR A 169 -6.021 17.106 -12.801 1.00 1.05 H new ATOM 2685 N VAL A 170 -2.570 16.206 -11.232 1.00 45.44 N ATOM 2686 CA VAL A 170 -1.413 16.933 -10.731 1.00 4.25 C ATOM 2687 C VAL A 170 -1.210 18.188 -11.568 1.00 12.32 C ATOM 2688 O VAL A 170 -1.194 18.110 -12.795 1.00 45.15 O ATOM 2689 CB VAL A 170 -0.123 16.077 -10.780 1.00 44.12 C ATOM 2690 CG1 VAL A 170 0.994 16.728 -9.980 1.00 42.45 C ATOM 2691 CG2 VAL A 170 -0.377 14.659 -10.286 1.00 13.30 C ATOM 0 H VAL A 170 -2.475 15.879 -12.194 1.00 45.44 H new ATOM 0 HA VAL A 170 -1.606 17.189 -9.689 1.00 4.25 H new ATOM 0 HB VAL A 170 0.190 16.018 -11.822 1.00 44.12 H new ATOM 0 HG11 VAL A 170 1.888 16.106 -10.031 1.00 42.45 H new ATOM 0 HG12 VAL A 170 1.212 17.712 -10.394 1.00 42.45 H new ATOM 0 HG13 VAL A 170 0.684 16.833 -8.940 1.00 42.45 H new ATOM 0 HG21 VAL A 170 0.549 14.086 -10.334 1.00 13.30 H new ATOM 0 HG22 VAL A 170 -0.731 14.691 -9.256 1.00 13.30 H new ATOM 0 HG23 VAL A 170 -1.130 14.184 -10.914 1.00 13.30 H new ATOM 2701 N ASN A 171 -1.032 19.329 -10.899 1.00 55.42 N ATOM 2702 CA ASN A 171 -0.916 20.641 -11.556 1.00 4.02 C ATOM 2703 C ASN A 171 -1.981 20.849 -12.648 1.00 52.15 C ATOM 2704 O ASN A 171 -1.678 21.288 -13.760 1.00 44.01 O ATOM 2705 CB ASN A 171 0.505 20.812 -12.125 1.00 21.43 C ATOM 2706 CG ASN A 171 0.915 22.269 -12.280 1.00 32.50 C ATOM 2707 OD1 ASN A 171 1.334 22.910 -11.318 1.00 5.43 O ATOM 2708 ND2 ASN A 171 0.810 22.799 -13.490 1.00 33.33 N ATOM 0 H ASN A 171 -0.963 19.374 -9.882 1.00 55.42 H new ATOM 0 HA ASN A 171 -1.097 21.409 -10.804 1.00 4.02 H new ATOM 0 HB2 ASN A 171 1.215 20.309 -11.469 1.00 21.43 H new ATOM 0 HB3 ASN A 171 0.563 20.319 -13.096 1.00 21.43 H new ATOM 0 HD21 ASN A 171 1.081 23.770 -13.647 1.00 33.33 H new ATOM 0 HD22 ASN A 171 0.458 22.236 -14.264 1.00 33.33 H new ATOM 2715 N GLY A 172 -3.230 20.535 -12.313 1.00 65.15 N ATOM 2716 CA GLY A 172 -4.336 20.715 -13.241 1.00 4.30 C ATOM 2717 C GLY A 172 -4.245 19.830 -14.475 1.00 24.41 C ATOM 2718 O GLY A 172 -4.726 20.202 -15.546 1.00 71.32 O ATOM 0 H GLY A 172 -3.498 20.155 -11.405 1.00 65.15 H new ATOM 0 HA2 GLY A 172 -5.272 20.506 -12.723 1.00 4.30 H new ATOM 0 HA3 GLY A 172 -4.371 21.758 -13.554 1.00 4.30 H new ATOM 2722 N HIS A 173 -3.618 18.673 -14.335 1.00 34.12 N ATOM 2723 CA HIS A 173 -3.458 17.747 -15.446 1.00 74.33 C ATOM 2724 C HIS A 173 -3.604 16.312 -14.954 1.00 73.22 C ATOM 2725 O HIS A 173 -3.032 15.944 -13.931 1.00 43.13 O ATOM 2726 CB HIS A 173 -2.083 17.949 -16.098 1.00 75.31 C ATOM 2727 CG HIS A 173 -1.879 17.174 -17.364 1.00 23.44 C ATOM 2728 ND1 HIS A 173 -1.181 15.993 -17.376 1.00 2.01 N ATOM 2729 CD2 HIS A 173 -2.282 17.461 -18.622 1.00 31.12 C ATOM 2730 CE1 HIS A 173 -1.173 15.590 -18.632 1.00 2.43 C ATOM 2731 NE2 HIS A 173 -1.827 16.449 -19.426 1.00 14.14 N ATOM 0 H HIS A 173 -3.209 18.351 -13.458 1.00 34.12 H new ATOM 0 HA HIS A 173 -4.232 17.942 -16.188 1.00 74.33 H new ATOM 0 HB2 HIS A 173 -1.947 19.010 -16.310 1.00 75.31 H new ATOM 0 HB3 HIS A 173 -1.310 17.665 -15.384 1.00 75.31 H new ATOM 0 HD1 HIS A 173 -0.755 15.523 -16.577 1.00 2.01 H new ATOM 0 HD2 HIS A 173 -2.853 18.323 -18.934 1.00 31.12 H new ATOM 0 HE1 HIS A 173 -0.699 14.683 -18.977 1.00 2.43 H new ATOM 2739 N ASN A 174 -4.384 15.510 -15.661 1.00 44.30 N ATOM 2740 CA ASN A 174 -4.546 14.112 -15.292 1.00 72.33 C ATOM 2741 C ASN A 174 -3.387 13.288 -15.830 1.00 40.24 C ATOM 2742 O ASN A 174 -3.256 13.096 -17.039 1.00 22.43 O ATOM 2743 CB ASN A 174 -5.874 13.550 -15.813 1.00 2.24 C ATOM 2744 CG ASN A 174 -7.078 14.106 -15.076 1.00 41.51 C ATOM 2745 OD1 ASN A 174 -7.661 15.110 -15.479 1.00 60.15 O ATOM 2746 ND2 ASN A 174 -7.459 13.458 -13.991 1.00 35.51 N ATOM 0 H ASN A 174 -4.910 15.799 -16.486 1.00 44.30 H new ATOM 0 HA ASN A 174 -4.555 14.052 -14.204 1.00 72.33 H new ATOM 0 HB2 ASN A 174 -5.967 13.777 -16.875 1.00 2.24 H new ATOM 0 HB3 ASN A 174 -5.866 12.464 -15.719 1.00 2.24 H new ATOM 0 HD21 ASN A 174 -8.263 13.787 -13.456 1.00 35.51 H new ATOM 0 HD22 ASN A 174 -6.950 12.628 -13.687 1.00 35.51 H new ATOM 2753 N CYS A 175 -2.536 12.830 -14.931 1.00 5.51 N ATOM 2754 CA CYS A 175 -1.414 11.982 -15.295 1.00 61.33 C ATOM 2755 C CYS A 175 -1.660 10.559 -14.811 1.00 20.04 C ATOM 2756 O CYS A 175 -2.411 10.348 -13.854 1.00 71.43 O ATOM 2757 CB CYS A 175 -0.127 12.525 -14.677 1.00 54.03 C ATOM 2758 SG CYS A 175 0.076 14.314 -14.846 1.00 52.42 S ATOM 0 H CYS A 175 -2.601 13.033 -13.934 1.00 5.51 H new ATOM 0 HA CYS A 175 -1.312 11.977 -16.380 1.00 61.33 H new ATOM 0 HB2 CYS A 175 -0.108 12.266 -13.618 1.00 54.03 H new ATOM 0 HB3 CYS A 175 0.724 12.028 -15.142 1.00 54.03 H new ATOM 0 HG CYS A 175 -1.012 14.912 -14.462 1.00 52.42 H new ATOM 2764 N GLU A 176 -1.035 9.589 -15.465 1.00 0.21 N ATOM 2765 CA GLU A 176 -1.195 8.196 -15.078 1.00 72.03 C ATOM 2766 C GLU A 176 -0.139 7.803 -14.058 1.00 13.13 C ATOM 2767 O GLU A 176 1.027 8.166 -14.183 1.00 35.15 O ATOM 2768 CB GLU A 176 -1.102 7.267 -16.293 1.00 4.12 C ATOM 2769 CG GLU A 176 -1.548 5.845 -15.994 1.00 31.50 C ATOM 2770 CD GLU A 176 -1.244 4.878 -17.120 1.00 24.12 C ATOM 2771 OE1 GLU A 176 -2.099 4.706 -18.015 1.00 1.02 O ATOM 2772 OE2 GLU A 176 -0.158 4.264 -17.108 1.00 31.34 O ATOM 0 H GLU A 176 -0.416 9.741 -16.261 1.00 0.21 H new ATOM 0 HA GLU A 176 -2.185 8.090 -14.634 1.00 72.03 H new ATOM 0 HB2 GLU A 176 -1.714 7.671 -17.099 1.00 4.12 H new ATOM 0 HB3 GLU A 176 -0.073 7.250 -16.652 1.00 4.12 H new ATOM 0 HG2 GLU A 176 -1.057 5.500 -15.084 1.00 31.50 H new ATOM 0 HG3 GLU A 176 -2.620 5.840 -15.799 1.00 31.50 H new ATOM 2779 N VAL A 177 -0.564 7.061 -13.054 1.00 13.04 N ATOM 2780 CA VAL A 177 0.329 6.583 -12.020 1.00 52.52 C ATOM 2781 C VAL A 177 0.153 5.080 -11.820 1.00 73.24 C ATOM 2782 O VAL A 177 -0.868 4.502 -12.210 1.00 53.02 O ATOM 2783 CB VAL A 177 0.133 7.309 -10.665 1.00 41.31 C ATOM 2784 CG1 VAL A 177 -0.024 8.813 -10.846 1.00 64.53 C ATOM 2785 CG2 VAL A 177 -1.032 6.726 -9.888 1.00 43.24 C ATOM 0 H VAL A 177 -1.535 6.774 -12.933 1.00 13.04 H new ATOM 0 HA VAL A 177 1.340 6.802 -12.363 1.00 52.52 H new ATOM 0 HB VAL A 177 1.038 7.145 -10.080 1.00 41.31 H new ATOM 0 HG11 VAL A 177 -0.159 9.284 -9.873 1.00 64.53 H new ATOM 0 HG12 VAL A 177 0.868 9.217 -11.324 1.00 64.53 H new ATOM 0 HG13 VAL A 177 -0.894 9.015 -11.471 1.00 64.53 H new ATOM 0 HG21 VAL A 177 -1.142 7.258 -8.943 1.00 43.24 H new ATOM 0 HG22 VAL A 177 -1.947 6.830 -10.471 1.00 43.24 H new ATOM 0 HG23 VAL A 177 -0.846 5.670 -9.691 1.00 43.24 H new ATOM 2795 N ARG A 178 1.162 4.469 -11.218 1.00 2.23 N ATOM 2796 CA ARG A 178 1.147 3.029 -10.953 1.00 50.23 C ATOM 2797 C ARG A 178 2.349 2.602 -10.129 1.00 75.24 C ATOM 2798 O ARG A 178 3.228 3.413 -9.834 1.00 21.14 O ATOM 2799 CB ARG A 178 1.115 2.238 -12.268 1.00 10.24 C ATOM 2800 CG ARG A 178 2.440 2.206 -13.006 1.00 11.30 C ATOM 2801 CD ARG A 178 2.245 1.767 -14.440 1.00 50.40 C ATOM 2802 NE ARG A 178 3.490 1.779 -15.200 1.00 60.30 N ATOM 2803 CZ ARG A 178 3.546 1.860 -16.530 1.00 41.01 C ATOM 2804 NH1 ARG A 178 2.425 1.939 -17.242 1.00 55.02 N ATOM 2805 NH2 ARG A 178 4.724 1.878 -17.143 1.00 1.24 N ATOM 0 H ARG A 178 2.006 4.945 -10.901 1.00 2.23 H new ATOM 0 HA ARG A 178 0.245 2.813 -10.381 1.00 50.23 H new ATOM 0 HB2 ARG A 178 0.805 1.215 -12.056 1.00 10.24 H new ATOM 0 HB3 ARG A 178 0.358 2.672 -12.922 1.00 10.24 H new ATOM 0 HG2 ARG A 178 2.898 3.195 -12.983 1.00 11.30 H new ATOM 0 HG3 ARG A 178 3.126 1.525 -12.502 1.00 11.30 H new ATOM 0 HD2 ARG A 178 1.823 0.762 -14.455 1.00 50.40 H new ATOM 0 HD3 ARG A 178 1.521 2.424 -14.923 1.00 50.40 H new ATOM 0 HE ARG A 178 4.368 1.722 -14.685 1.00 60.30 H new ATOM 0 HH11 ARG A 178 1.520 1.938 -16.771 1.00 55.02 H new ATOM 0 HH12 ARG A 178 2.470 2.001 -18.259 1.00 55.02 H new ATOM 0 HH21 ARG A 178 5.584 1.830 -16.597 1.00 1.24 H new ATOM 0 HH22 ARG A 178 4.769 1.940 -18.160 1.00 1.24 H new ATOM 2819 N LYS A 179 2.376 1.322 -9.767 1.00 73.44 N ATOM 2820 CA LYS A 179 3.521 0.729 -9.095 1.00 74.55 C ATOM 2821 C LYS A 179 4.755 0.787 -9.983 1.00 21.32 C ATOM 2822 O LYS A 179 4.713 0.416 -11.159 1.00 15.02 O ATOM 2823 CB LYS A 179 3.248 -0.734 -8.744 1.00 54.41 C ATOM 2824 CG LYS A 179 2.171 -0.945 -7.696 1.00 22.24 C ATOM 2825 CD LYS A 179 2.637 -0.543 -6.306 1.00 43.54 C ATOM 2826 CE LYS A 179 2.198 -1.559 -5.266 1.00 23.05 C ATOM 2827 NZ LYS A 179 0.715 -1.687 -5.185 1.00 71.24 N ATOM 0 H LYS A 179 1.607 0.672 -9.932 1.00 73.44 H new ATOM 0 HA LYS A 179 3.694 1.300 -8.183 1.00 74.55 H new ATOM 0 HB2 LYS A 179 2.961 -1.264 -9.652 1.00 54.41 H new ATOM 0 HB3 LYS A 179 4.174 -1.187 -8.390 1.00 54.41 H new ATOM 0 HG2 LYS A 179 1.288 -0.365 -7.963 1.00 22.24 H new ATOM 0 HG3 LYS A 179 1.874 -1.994 -7.689 1.00 22.24 H new ATOM 0 HD2 LYS A 179 3.723 -0.453 -6.295 1.00 43.54 H new ATOM 0 HD3 LYS A 179 2.234 0.438 -6.054 1.00 43.54 H new ATOM 0 HE2 LYS A 179 2.631 -2.530 -5.506 1.00 23.05 H new ATOM 0 HE3 LYS A 179 2.588 -1.268 -4.291 1.00 23.05 H new ATOM 0 HZ1 LYS A 179 0.464 -2.667 -4.946 1.00 71.24 H new ATOM 0 HZ2 LYS A 179 0.351 -1.047 -4.451 1.00 71.24 H new ATOM 0 HZ3 LYS A 179 0.294 -1.436 -6.102 1.00 71.24 H new ATOM 2841 N ALA A 180 5.844 1.259 -9.420 1.00 22.13 N ATOM 2842 CA ALA A 180 7.118 1.238 -10.100 1.00 44.43 C ATOM 2843 C ALA A 180 8.071 0.372 -9.312 1.00 63.24 C ATOM 2844 O ALA A 180 8.409 0.683 -8.175 1.00 43.23 O ATOM 2845 CB ALA A 180 7.673 2.641 -10.259 1.00 32.42 C ATOM 0 H ALA A 180 5.872 1.665 -8.485 1.00 22.13 H new ATOM 0 HA ALA A 180 6.988 0.826 -11.101 1.00 44.43 H new ATOM 0 HB1 ALA A 180 8.633 2.596 -10.774 1.00 32.42 H new ATOM 0 HB2 ALA A 180 6.976 3.244 -10.841 1.00 32.42 H new ATOM 0 HB3 ALA A 180 7.809 3.092 -9.276 1.00 32.42 H new ATOM 2851 N LEU A 181 8.476 -0.728 -9.895 1.00 71.24 N ATOM 2852 CA LEU A 181 9.347 -1.648 -9.204 1.00 14.21 C ATOM 2853 C LEU A 181 10.793 -1.219 -9.379 1.00 51.13 C ATOM 2854 O LEU A 181 11.171 -0.716 -10.439 1.00 74.22 O ATOM 2855 CB LEU A 181 9.143 -3.069 -9.728 1.00 31.32 C ATOM 2856 CG LEU A 181 7.692 -3.554 -9.761 1.00 45.42 C ATOM 2857 CD1 LEU A 181 7.608 -4.923 -10.414 1.00 23.43 C ATOM 2858 CD2 LEU A 181 7.103 -3.594 -8.358 1.00 62.21 C ATOM 0 H LEU A 181 8.219 -1.008 -10.841 1.00 71.24 H new ATOM 0 HA LEU A 181 9.103 -1.637 -8.142 1.00 14.21 H new ATOM 0 HB2 LEU A 181 9.551 -3.128 -10.737 1.00 31.32 H new ATOM 0 HB3 LEU A 181 9.723 -3.753 -9.109 1.00 31.32 H new ATOM 0 HG LEU A 181 7.108 -2.850 -10.353 1.00 45.42 H new ATOM 0 HD11 LEU A 181 6.570 -5.255 -10.430 1.00 23.43 H new ATOM 0 HD12 LEU A 181 7.986 -4.863 -11.435 1.00 23.43 H new ATOM 0 HD13 LEU A 181 8.208 -5.634 -9.846 1.00 23.43 H new ATOM 0 HD21 LEU A 181 6.071 -3.942 -8.406 1.00 62.21 H new ATOM 0 HD22 LEU A 181 7.686 -4.274 -7.738 1.00 62.21 H new ATOM 0 HD23 LEU A 181 7.129 -2.595 -7.924 1.00 62.21 H new