USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 863 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 103 GLN : amide:sc= 1.13 K(o=1.8,f=-0.21) USER MOD Set 1.2: A 105 LYS NZ :NH3+ -176:sc= 0.691 (180deg=0.397) USER MOD Set 2.1: A 97 CYS SG : rot 81:sc= -1.09 USER MOD Set 2.2: A 102 CYS SG : rot 139:sc= -2.88! USER MOD Set 2.3: A 115 HIS : no HE2:sc= -0.315 K(o=-5.1,f=-8.8) USER MOD Set 2.4: A 116 HIS : no HD1:sc= -0.126 K(o=-5.1,f=-10!) USER MOD Set 2.5: A 119 HIS : no HE2:sc= -0.636 K(o=-5.1,f=-11) USER MOD Set 3.1: A 68 GLN : amide:sc= 1.41 K(o=3.2,f=-0.52) USER MOD Set 3.2: A 73 GLN : amide:sc= 1.47 K(o=3.2,f=-0.52) USER MOD Set 3.3: A 75 LYS NZ :NH3+ -118:sc= 0.34 (180deg=-1.22) USER MOD Set 4.1: A 69 CYS SG : rot 120:sc= 1.52 USER MOD Set 4.2: A 71 THR OG1 : rot 87:sc= 0.962 USER MOD Set 4.3: A 72 CYS SG : rot -171:sc= -1.06 USER MOD Set 4.4: A 85 HIS : no HD1:sc= -0.268 K(o=2.4,f=0.76) USER MOD Set 4.5: A 88 THR OG1 : rot -39:sc= 1.15 USER MOD Set 4.6: A 89 HIS : no HD1:sc= 0.147 K(o=2.4,f=-1.5) USER MOD Set 5.1: A 39 CYS SG : rot -159:sc= 1.31 USER MOD Set 5.2: A 57 HIS : no HD1:sc= -2.45 K(o=-0.51,f=-2.6) USER MOD Set 5.3: A 58 GLN : amide:sc= 0.816 X(o=-0.51,f=-0.33) USER MOD Set 5.4: A 61 HIS : no HE2:sc= -0.184 K(o=-0.51,f=-1.9) USER MOD Set 6.1: A 49 SER OG : rot -55:sc= 1.31 USER MOD Set 6.2: A 53 GLN : amide:sc= -0.862! C(o=0.45!,f=-3.5!) USER MOD Set 7.1: A 37 TYR OH : rot 180:sc= 0.971 USER MOD Set 7.2: A 51 SER OG : rot -73:sc= 1.44 USER MOD Set 8.1: A 9 CYS SG : rot 80:sc= 0.896! USER MOD Set 8.2: A 14 CYS SG : rot 110:sc= -2.14 USER MOD Set 8.3: A 18 TYR OH : rot 180:sc= -0.0623 USER MOD Set 8.4: A 27 HIS : no HD1:sc= -2.26 K(o=-4.7,f=-7.7) USER MOD Set 8.5: A 31 HIS : no HE2:sc= -1.19 K(o=-4.7,f=-8.5!) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 1.12 K(o=1.1,f=-0.49) USER MOD Single : A 16 LYS NZ :NH3+ -166:sc= 0.0183 (180deg=-0.204) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 23 HIS : no HE2:sc= -3.72 K(o=-3.7,f=-7.3!) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.668 F(o=-1.2,f=-0.67) USER MOD Single : A 26 MET CE :methyl -142:sc= -0.376 (180deg=-2.22!) USER MOD Single : A 28 SER OG : rot 84:sc= 1.18 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -85:sc= 1.19 USER MOD Single : A 38 GLN : amide:sc= 1.18 K(o=1.2,f=-0.0074) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -104:sc= -0.104 USER MOD Single : A 65 LYS NZ :NH3+ 155:sc= 0.589 (180deg=0.161) USER MOD Single : A 70 LYS NZ :NH3+ -106:sc= 0.992 (180deg=0.0333) USER MOD Single : A 77 SER OG : rot 180:sc= 0.00743 USER MOD Single : A 79 SER OG : rot 180:sc= 0.00778 USER MOD Single : A 81 HIS : no HE2:sc= -0.756 K(o=-0.76,f=-1.3) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 105:sc= 1.24 USER MOD Single : A 86 THR OG1 : rot 78:sc= 1.28 USER MOD Single : A 90 THR OG1 : rot 74:sc= 1.33 USER MOD Single : A 93 LYS NZ :NH3+ -167:sc= 0.283 (180deg=0.195) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -41:sc= 1.09 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0.00718 USER MOD Single : A 117 ASN : amide:sc= 1.13 K(o=1.1,f=-0.042) USER MOD Single : A 118 MET CE :methyl -162:sc= -0.0192 (180deg=-0.478) USER MOD ----------------------------------------------------------------- ATOM 97 N PHE A 7 2.896 21.931 -7.468 1.00 0.00 N ATOM 98 CA PHE A 7 2.973 20.901 -6.414 1.00 0.00 C ATOM 99 C PHE A 7 4.412 20.421 -6.236 1.00 0.00 C ATOM 100 O PHE A 7 5.167 20.392 -7.178 1.00 0.00 O ATOM 101 CB PHE A 7 2.078 19.705 -6.789 1.00 0.00 C ATOM 102 CG PHE A 7 0.638 20.034 -7.135 1.00 0.00 C ATOM 103 CD1 PHE A 7 -0.297 20.332 -6.129 1.00 0.00 C ATOM 104 CD2 PHE A 7 0.231 20.044 -8.480 1.00 0.00 C ATOM 105 CE1 PHE A 7 -1.628 20.635 -6.465 1.00 0.00 C ATOM 106 CE2 PHE A 7 -1.091 20.373 -8.820 1.00 0.00 C ATOM 107 CZ PHE A 7 -2.020 20.672 -7.813 1.00 0.00 C ATOM 0 HA PHE A 7 2.629 21.339 -5.477 1.00 0.00 H new ATOM 0 HB2 PHE A 7 2.527 19.193 -7.640 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.079 19.001 -5.957 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.008 20.328 -5.093 1.00 0.00 H new ATOM 0 HD2 PHE A 7 0.939 19.797 -9.257 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.349 20.839 -5.687 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.392 20.396 -9.857 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.036 20.930 -8.074 1.00 0.00 H new ATOM 117 N MET A 8 4.816 20.150 -4.996 1.00 0.00 N ATOM 118 CA MET A 8 6.102 19.470 -4.741 1.00 0.00 C ATOM 119 C MET A 8 5.958 18.394 -3.680 1.00 0.00 C ATOM 120 O MET A 8 5.199 18.542 -2.718 1.00 0.00 O ATOM 121 CB MET A 8 7.191 20.479 -4.325 1.00 0.00 C ATOM 122 CG MET A 8 7.010 21.138 -2.946 1.00 0.00 C ATOM 123 SD MET A 8 5.578 22.239 -2.757 1.00 0.00 S ATOM 124 CE MET A 8 5.624 22.470 -0.961 1.00 0.00 C ATOM 0 H MET A 8 4.285 20.384 -4.157 1.00 0.00 H new ATOM 0 HA MET A 8 6.406 18.994 -5.674 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.154 19.969 -4.338 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.236 21.266 -5.078 1.00 0.00 H new ATOM 0 HG2 MET A 8 6.935 20.349 -2.198 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.911 21.708 -2.719 1.00 0.00 H new ATOM 0 HE1 MET A 8 4.808 23.126 -0.658 1.00 0.00 H new ATOM 0 HE2 MET A 8 5.516 21.504 -0.467 1.00 0.00 H new ATOM 0 HE3 MET A 8 6.576 22.919 -0.676 1.00 0.00 H new ATOM 134 N CYS A 9 6.766 17.349 -3.817 1.00 0.00 N ATOM 135 CA CYS A 9 6.916 16.346 -2.778 1.00 0.00 C ATOM 136 C CYS A 9 7.705 16.940 -1.576 1.00 0.00 C ATOM 137 O CYS A 9 8.220 18.059 -1.650 1.00 0.00 O ATOM 138 CB CYS A 9 7.656 15.119 -3.352 1.00 0.00 C ATOM 139 SG CYS A 9 8.015 13.805 -2.158 1.00 0.00 S ATOM 0 H CYS A 9 7.331 17.177 -4.648 1.00 0.00 H new ATOM 0 HA CYS A 9 5.932 16.036 -2.427 1.00 0.00 H new ATOM 0 HB2 CYS A 9 7.057 14.699 -4.160 1.00 0.00 H new ATOM 0 HB3 CYS A 9 8.595 15.454 -3.792 1.00 0.00 H new ATOM 0 HG CYS A 9 6.948 13.086 -1.971 1.00 0.00 H new ATOM 144 N ALA A 10 7.802 16.172 -0.496 1.00 0.00 N ATOM 145 CA ALA A 10 8.542 16.585 0.697 1.00 0.00 C ATOM 146 C ALA A 10 9.326 15.393 1.315 1.00 0.00 C ATOM 147 O ALA A 10 9.937 15.531 2.376 1.00 0.00 O ATOM 148 CB ALA A 10 7.565 17.165 1.730 1.00 0.00 C ATOM 0 H ALA A 10 7.373 15.250 -0.420 1.00 0.00 H new ATOM 0 HA ALA A 10 9.266 17.347 0.408 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.116 17.473 2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.054 18.028 1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.831 16.407 2.002 1.00 0.00 H new ATOM 154 N TYR A 11 9.290 14.225 0.645 1.00 0.00 N ATOM 155 CA TYR A 11 9.988 13.036 1.134 1.00 0.00 C ATOM 156 C TYR A 11 11.527 13.225 1.012 1.00 0.00 C ATOM 157 O TYR A 11 12.016 13.705 -0.010 1.00 0.00 O ATOM 158 CB TYR A 11 9.543 11.797 0.340 1.00 0.00 C ATOM 159 CG TYR A 11 9.868 10.508 1.075 1.00 0.00 C ATOM 160 CD1 TYR A 11 9.243 10.244 2.307 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.892 9.659 0.621 1.00 0.00 C ATOM 162 CE1 TYR A 11 9.776 9.261 3.160 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.380 8.628 1.438 1.00 0.00 C ATOM 164 CZ TYR A 11 10.873 8.475 2.742 1.00 0.00 C ATOM 165 OH TYR A 11 11.489 7.616 3.598 1.00 0.00 O ATOM 0 H TYR A 11 8.786 14.087 -0.231 1.00 0.00 H new ATOM 0 HA TYR A 11 9.736 12.891 2.184 1.00 0.00 H new ATOM 0 HB2 TYR A 11 8.470 11.850 0.156 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.034 11.794 -0.633 1.00 0.00 H new ATOM 0 HD1 TYR A 11 8.359 10.793 2.596 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.307 9.802 -0.366 1.00 0.00 H new ATOM 0 HE1 TYR A 11 9.345 9.106 4.138 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.140 7.956 1.068 1.00 0.00 H new ATOM 0 HH TYR A 11 12.222 7.160 3.133 1.00 0.00 H new ATOM 175 N PRO A 12 12.300 12.857 2.072 1.00 0.00 N ATOM 176 CA PRO A 12 13.759 13.092 2.121 1.00 0.00 C ATOM 177 C PRO A 12 14.529 12.478 0.927 1.00 0.00 C ATOM 178 O PRO A 12 15.662 12.867 0.654 1.00 0.00 O ATOM 179 CB PRO A 12 14.190 12.424 3.433 1.00 0.00 C ATOM 180 CG PRO A 12 12.954 12.504 4.323 1.00 0.00 C ATOM 181 CD PRO A 12 11.805 12.324 3.337 1.00 0.00 C ATOM 0 HA PRO A 12 13.983 14.157 2.067 1.00 0.00 H new ATOM 0 HB2 PRO A 12 14.497 11.391 3.271 1.00 0.00 H new ATOM 0 HB3 PRO A 12 15.038 12.941 3.883 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.956 11.726 5.086 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.893 13.460 4.843 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.529 11.274 3.241 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.915 12.858 3.668 1.00 0.00 H new ATOM 189 N GLY A 13 13.907 11.509 0.235 1.00 0.00 N ATOM 190 CA GLY A 13 14.552 10.854 -0.919 1.00 0.00 C ATOM 191 C GLY A 13 14.091 11.441 -2.271 1.00 0.00 C ATOM 192 O GLY A 13 14.520 10.981 -3.328 1.00 0.00 O ATOM 0 H GLY A 13 12.971 11.164 0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 13 15.634 10.957 -0.832 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.331 9.787 -0.896 1.00 0.00 H new ATOM 196 N CYS A 14 13.173 12.421 -2.219 1.00 0.00 N ATOM 197 CA CYS A 14 12.550 12.968 -3.424 1.00 0.00 C ATOM 198 C CYS A 14 12.449 14.513 -3.344 1.00 0.00 C ATOM 199 O CYS A 14 13.375 15.222 -3.750 1.00 0.00 O ATOM 200 CB CYS A 14 11.163 12.355 -3.596 1.00 0.00 C ATOM 201 SG CYS A 14 10.311 13.039 -5.036 1.00 0.00 S ATOM 0 H CYS A 14 12.849 12.848 -1.351 1.00 0.00 H new ATOM 0 HA CYS A 14 13.169 12.718 -4.286 1.00 0.00 H new ATOM 0 HB2 CYS A 14 11.253 11.274 -3.704 1.00 0.00 H new ATOM 0 HB3 CYS A 14 10.570 12.538 -2.700 1.00 0.00 H new ATOM 0 HG CYS A 14 10.225 12.130 -5.962 1.00 0.00 H new ATOM 206 N ASN A 15 11.305 15.016 -2.840 1.00 0.00 N ATOM 207 CA ASN A 15 11.054 16.462 -2.737 1.00 0.00 C ATOM 208 C ASN A 15 11.108 17.146 -4.144 1.00 0.00 C ATOM 209 O ASN A 15 11.609 18.268 -4.284 1.00 0.00 O ATOM 210 CB ASN A 15 12.088 17.108 -1.777 1.00 0.00 C ATOM 211 CG ASN A 15 11.598 18.384 -1.102 1.00 0.00 C ATOM 212 OD1 ASN A 15 11.499 18.474 0.112 1.00 0.00 O ATOM 213 ND2 ASN A 15 11.299 19.416 -1.860 1.00 0.00 N ATOM 0 H ASN A 15 10.539 14.437 -2.497 1.00 0.00 H new ATOM 0 HA ASN A 15 10.052 16.611 -2.334 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.357 16.383 -1.008 1.00 0.00 H new ATOM 0 HB3 ASN A 15 12.997 17.331 -2.336 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.986 20.288 -1.434 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.381 19.344 -2.874 1.00 0.00 H new ATOM 220 N LYS A 16 10.561 16.462 -5.166 1.00 0.00 N ATOM 221 CA LYS A 16 10.545 16.991 -6.545 1.00 0.00 C ATOM 222 C LYS A 16 9.251 17.728 -6.836 1.00 0.00 C ATOM 223 O LYS A 16 8.286 17.622 -6.091 1.00 0.00 O ATOM 224 CB LYS A 16 10.719 15.831 -7.555 1.00 0.00 C ATOM 225 CG LYS A 16 12.096 15.838 -8.236 1.00 0.00 C ATOM 226 CD LYS A 16 13.281 15.543 -7.305 1.00 0.00 C ATOM 227 CE LYS A 16 13.299 14.084 -6.844 1.00 0.00 C ATOM 228 NZ LYS A 16 14.526 13.803 -6.073 1.00 0.00 N ATOM 0 H LYS A 16 10.126 15.545 -5.065 1.00 0.00 H new ATOM 0 HA LYS A 16 11.371 17.695 -6.646 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.579 14.881 -7.039 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.942 15.898 -8.316 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.092 15.101 -9.039 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.251 16.812 -8.699 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.213 15.771 -7.821 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.230 16.197 -6.435 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.422 13.879 -6.231 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.245 13.422 -7.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.644 12.775 -5.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.348 14.198 -6.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.452 14.238 -5.131 1.00 0.00 H new ATOM 242 N ARG A 17 9.241 18.489 -7.940 1.00 0.00 N ATOM 243 CA ARG A 17 8.105 19.346 -8.275 1.00 0.00 C ATOM 244 C ARG A 17 7.210 18.701 -9.352 1.00 0.00 C ATOM 245 O ARG A 17 7.688 18.260 -10.399 1.00 0.00 O ATOM 246 CB ARG A 17 8.607 20.724 -8.763 1.00 0.00 C ATOM 247 CG ARG A 17 9.490 20.740 -10.029 1.00 0.00 C ATOM 248 CD ARG A 17 8.710 21.094 -11.305 1.00 0.00 C ATOM 249 NE ARG A 17 9.536 20.890 -12.509 1.00 0.00 N ATOM 250 CZ ARG A 17 9.709 19.746 -13.167 1.00 0.00 C ATOM 251 NH1 ARG A 17 9.165 18.609 -12.787 1.00 0.00 N ATOM 252 NH2 ARG A 17 10.450 19.732 -14.253 1.00 0.00 N ATOM 0 H ARG A 17 10.007 18.525 -8.612 1.00 0.00 H new ATOM 0 HA ARG A 17 7.506 19.476 -7.373 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.738 21.355 -8.948 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.169 21.186 -7.952 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.297 21.460 -9.892 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.953 19.761 -10.154 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.812 20.479 -11.368 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.382 22.132 -11.258 1.00 0.00 H new ATOM 0 HE ARG A 17 10.024 21.708 -12.875 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.579 18.578 -11.952 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.329 17.759 -13.327 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.886 20.593 -14.584 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.589 18.860 -14.764 1.00 0.00 H new ATOM 266 N TYR A 18 5.915 18.682 -9.071 1.00 0.00 N ATOM 267 CA TYR A 18 4.895 18.156 -9.953 1.00 0.00 C ATOM 268 C TYR A 18 3.953 19.284 -10.428 1.00 0.00 C ATOM 269 O TYR A 18 3.935 20.382 -9.854 1.00 0.00 O ATOM 270 CB TYR A 18 4.086 17.102 -9.199 1.00 0.00 C ATOM 271 CG TYR A 18 4.889 15.879 -8.837 1.00 0.00 C ATOM 272 CD1 TYR A 18 5.736 15.900 -7.714 1.00 0.00 C ATOM 273 CD2 TYR A 18 4.865 14.755 -9.679 1.00 0.00 C ATOM 274 CE1 TYR A 18 6.614 14.831 -7.480 1.00 0.00 C ATOM 275 CE2 TYR A 18 5.808 13.733 -9.498 1.00 0.00 C ATOM 276 CZ TYR A 18 6.732 13.804 -8.436 1.00 0.00 C ATOM 277 OH TYR A 18 7.753 12.912 -8.346 1.00 0.00 O ATOM 0 H TYR A 18 5.538 19.044 -8.195 1.00 0.00 H new ATOM 0 HA TYR A 18 5.373 17.712 -10.827 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.683 17.546 -8.289 1.00 0.00 H new ATOM 0 HB3 TYR A 18 3.235 16.801 -9.810 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.710 16.738 -7.033 1.00 0.00 H new ATOM 0 HD2 TYR A 18 4.124 14.678 -10.461 1.00 0.00 H new ATOM 0 HE1 TYR A 18 7.196 14.796 -6.571 1.00 0.00 H new ATOM 0 HE2 TYR A 18 5.826 12.890 -10.173 1.00 0.00 H new ATOM 0 HH TYR A 18 7.690 12.267 -9.081 1.00 0.00 H new ATOM 287 N PHE A 19 3.151 18.988 -11.460 1.00 0.00 N ATOM 288 CA PHE A 19 2.272 19.992 -12.077 1.00 0.00 C ATOM 289 C PHE A 19 0.786 19.577 -12.000 1.00 0.00 C ATOM 290 O PHE A 19 -0.105 20.398 -12.218 1.00 0.00 O ATOM 291 CB PHE A 19 2.668 20.181 -13.540 1.00 0.00 C ATOM 292 CG PHE A 19 4.068 20.732 -13.733 1.00 0.00 C ATOM 293 CD1 PHE A 19 4.340 22.075 -13.412 1.00 0.00 C ATOM 294 CD2 PHE A 19 5.096 19.911 -14.234 1.00 0.00 C ATOM 295 CE1 PHE A 19 5.631 22.601 -13.602 1.00 0.00 C ATOM 296 CE2 PHE A 19 6.387 20.437 -14.426 1.00 0.00 C ATOM 297 CZ PHE A 19 6.652 21.783 -14.116 1.00 0.00 C ATOM 0 H PHE A 19 3.092 18.063 -11.885 1.00 0.00 H new ATOM 0 HA PHE A 19 2.390 20.925 -11.526 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.592 19.222 -14.053 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.955 20.855 -14.015 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.555 22.704 -13.019 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.894 18.877 -14.471 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.837 23.632 -13.353 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.175 19.807 -14.812 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.641 22.188 -14.273 1.00 0.00 H new ATOM 307 N LYS A 20 0.533 18.296 -11.701 1.00 0.00 N ATOM 308 CA LYS A 20 -0.838 17.768 -11.595 1.00 0.00 C ATOM 309 C LYS A 20 -1.081 17.195 -10.202 1.00 0.00 C ATOM 310 O LYS A 20 -0.286 16.410 -9.702 1.00 0.00 O ATOM 311 CB LYS A 20 -1.062 16.673 -12.660 1.00 0.00 C ATOM 312 CG LYS A 20 -1.335 17.222 -14.074 1.00 0.00 C ATOM 313 CD LYS A 20 -2.814 17.488 -14.400 1.00 0.00 C ATOM 314 CE LYS A 20 -3.398 18.685 -13.645 1.00 0.00 C ATOM 315 NZ LYS A 20 -4.788 18.956 -14.058 1.00 0.00 N ATOM 0 H LYS A 20 1.261 17.603 -11.527 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.541 18.583 -11.765 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.183 16.029 -12.695 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.902 16.050 -12.355 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.779 18.151 -14.199 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.941 16.514 -14.803 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.917 17.659 -15.472 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.397 16.598 -14.161 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.367 18.491 -12.573 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.784 19.567 -13.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.155 19.772 -13.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.813 19.165 -15.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.378 18.122 -13.861 1.00 0.00 H new ATOM 329 N LEU A 21 -2.208 17.567 -9.594 1.00 0.00 N ATOM 330 CA LEU A 21 -2.552 17.093 -8.251 1.00 0.00 C ATOM 331 C LEU A 21 -2.609 15.555 -8.219 1.00 0.00 C ATOM 332 O LEU A 21 -2.026 14.925 -7.349 1.00 0.00 O ATOM 333 CB LEU A 21 -3.911 17.676 -7.817 1.00 0.00 C ATOM 334 CG LEU A 21 -4.383 17.219 -6.418 1.00 0.00 C ATOM 335 CD1 LEU A 21 -3.391 17.552 -5.298 1.00 0.00 C ATOM 336 CD2 LEU A 21 -5.719 17.891 -6.092 1.00 0.00 C ATOM 0 H LEU A 21 -2.898 18.194 -10.008 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.780 17.428 -7.558 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.846 18.764 -7.828 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.665 17.394 -8.552 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.474 16.134 -6.462 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.788 17.202 -4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.439 17.060 -5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.240 18.631 -5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.056 17.571 -5.106 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.593 18.974 -6.099 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.461 17.607 -6.838 1.00 0.00 H new ATOM 348 N SER A 22 -3.342 14.971 -9.171 1.00 0.00 N ATOM 349 CA SER A 22 -3.529 13.515 -9.243 1.00 0.00 C ATOM 350 C SER A 22 -2.234 12.780 -9.602 1.00 0.00 C ATOM 351 O SER A 22 -1.993 11.673 -9.123 1.00 0.00 O ATOM 352 CB SER A 22 -4.601 13.188 -10.286 1.00 0.00 C ATOM 353 OG SER A 22 -4.327 13.859 -11.506 1.00 0.00 O ATOM 0 H SER A 22 -3.820 15.487 -9.909 1.00 0.00 H new ATOM 0 HA SER A 22 -3.840 13.176 -8.255 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.636 12.112 -10.456 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.582 13.484 -9.913 1.00 0.00 H new ATOM 0 HG SER A 22 -5.020 13.639 -12.163 1.00 0.00 H new ATOM 359 N HIS A 23 -1.418 13.387 -10.466 1.00 0.00 N ATOM 360 CA HIS A 23 -0.151 12.781 -10.871 1.00 0.00 C ATOM 361 C HIS A 23 0.850 12.836 -9.703 1.00 0.00 C ATOM 362 O HIS A 23 1.522 11.852 -9.404 1.00 0.00 O ATOM 363 CB HIS A 23 0.403 13.496 -12.143 1.00 0.00 C ATOM 364 CG HIS A 23 1.661 14.339 -12.291 1.00 0.00 C ATOM 365 ND1 HIS A 23 2.439 14.327 -13.430 1.00 0.00 N ATOM 366 CD2 HIS A 23 2.022 15.468 -11.606 1.00 0.00 C ATOM 367 CE1 HIS A 23 3.225 15.417 -13.425 1.00 0.00 C ATOM 368 NE2 HIS A 23 3.001 16.152 -12.329 1.00 0.00 N ATOM 0 H HIS A 23 -1.611 14.292 -10.896 1.00 0.00 H new ATOM 0 HA HIS A 23 -0.311 11.733 -11.126 1.00 0.00 H new ATOM 0 HB2 HIS A 23 0.507 12.705 -12.886 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.408 14.143 -12.477 1.00 0.00 H new ATOM 0 HD1 HIS A 23 2.421 13.610 -14.155 1.00 0.00 H new ATOM 0 HD2 HIS A 23 1.614 15.780 -10.656 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.938 15.665 -14.197 1.00 0.00 H new ATOM 376 N LEU A 24 0.834 13.952 -8.972 1.00 0.00 N ATOM 377 CA LEU A 24 1.599 14.070 -7.735 1.00 0.00 C ATOM 378 C LEU A 24 1.025 13.138 -6.627 1.00 0.00 C ATOM 379 O LEU A 24 1.778 12.544 -5.857 1.00 0.00 O ATOM 380 CB LEU A 24 1.602 15.522 -7.254 1.00 0.00 C ATOM 381 CG LEU A 24 2.419 15.882 -5.986 1.00 0.00 C ATOM 382 CD1 LEU A 24 1.516 16.035 -4.757 1.00 0.00 C ATOM 383 CD2 LEU A 24 3.578 14.944 -5.621 1.00 0.00 C ATOM 0 H LEU A 24 0.299 14.785 -9.217 1.00 0.00 H new ATOM 0 HA LEU A 24 2.624 13.759 -7.940 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.971 16.141 -8.072 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.567 15.814 -7.075 1.00 0.00 H new ATOM 0 HG LEU A 24 2.879 16.829 -6.269 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.124 16.287 -3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.790 16.829 -4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.991 15.098 -4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.068 15.306 -4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.192 13.939 -5.448 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.298 14.920 -6.439 1.00 0.00 H new ATOM 395 N GLN A 25 -0.300 12.971 -6.600 1.00 0.00 N ATOM 396 CA GLN A 25 -0.939 12.001 -5.698 1.00 0.00 C ATOM 397 C GLN A 25 -0.448 10.578 -6.011 1.00 0.00 C ATOM 398 O GLN A 25 -0.104 9.821 -5.105 1.00 0.00 O ATOM 399 CB GLN A 25 -2.474 12.077 -5.843 1.00 0.00 C ATOM 400 CG GLN A 25 -3.294 11.006 -5.094 1.00 0.00 C ATOM 401 CD GLN A 25 -3.433 9.637 -5.777 1.00 0.00 C ATOM 402 OE1 GLN A 25 -3.332 9.515 -7.092 1.00 0.00 O flip ATOM 403 NE2 GLN A 25 -3.659 8.632 -5.124 1.00 0.00 N flip ATOM 0 H GLN A 25 -0.951 13.491 -7.188 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.668 12.245 -4.671 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.800 13.058 -5.498 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.719 12.014 -6.903 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.839 10.853 -4.115 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.294 11.403 -4.922 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.743 8.691 -4.109 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.764 7.732 -5.593 1.00 0.00 H new ATOM 412 N MET A 26 -0.352 10.253 -7.310 1.00 0.00 N ATOM 413 CA MET A 26 0.179 8.965 -7.745 1.00 0.00 C ATOM 414 C MET A 26 1.656 8.828 -7.347 1.00 0.00 C ATOM 415 O MET A 26 2.054 7.820 -6.766 1.00 0.00 O ATOM 416 CB MET A 26 0.030 8.820 -9.269 1.00 0.00 C ATOM 417 CG MET A 26 0.273 7.392 -9.776 1.00 0.00 C ATOM 418 SD MET A 26 -1.071 6.194 -9.511 1.00 0.00 S ATOM 419 CE MET A 26 -0.730 5.580 -7.841 1.00 0.00 C ATOM 0 H MET A 26 -0.637 10.869 -8.072 1.00 0.00 H new ATOM 0 HA MET A 26 -0.388 8.174 -7.254 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.973 9.134 -9.559 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.730 9.495 -9.760 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.480 7.441 -10.845 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.172 7.008 -9.294 1.00 0.00 H new ATOM 0 HE1 MET A 26 -0.947 4.513 -7.794 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.319 5.748 -7.599 1.00 0.00 H new ATOM 0 HE3 MET A 26 -1.357 6.109 -7.124 1.00 0.00 H new ATOM 429 N HIS A 27 2.435 9.905 -7.547 1.00 0.00 N ATOM 430 CA HIS A 27 3.842 9.930 -7.135 1.00 0.00 C ATOM 431 C HIS A 27 3.962 9.668 -5.630 1.00 0.00 C ATOM 432 O HIS A 27 4.753 8.824 -5.197 1.00 0.00 O ATOM 433 CB HIS A 27 4.469 11.300 -7.467 1.00 0.00 C ATOM 434 CG HIS A 27 5.717 11.472 -6.658 1.00 0.00 C ATOM 435 ND1 HIS A 27 6.829 10.654 -6.703 1.00 0.00 N ATOM 436 CD2 HIS A 27 5.848 12.305 -5.583 1.00 0.00 C ATOM 437 CE1 HIS A 27 7.634 11.018 -5.693 1.00 0.00 C ATOM 438 NE2 HIS A 27 7.078 12.036 -5.023 1.00 0.00 N ATOM 0 H HIS A 27 2.112 10.765 -7.990 1.00 0.00 H new ATOM 0 HA HIS A 27 4.373 9.148 -7.678 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.698 11.362 -8.531 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.763 12.101 -7.246 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.128 13.033 -5.239 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.584 10.561 -5.457 1.00 0.00 H new ATOM 0 HE2 HIS A 27 7.494 12.528 -4.233 1.00 0.00 H new ATOM 446 N SER A 28 3.088 10.312 -4.852 1.00 0.00 N ATOM 447 CA SER A 28 3.104 10.202 -3.398 1.00 0.00 C ATOM 448 C SER A 28 2.925 8.753 -2.962 1.00 0.00 C ATOM 449 O SER A 28 3.457 8.342 -1.934 1.00 0.00 O ATOM 450 CB SER A 28 1.986 11.064 -2.796 1.00 0.00 C ATOM 451 OG SER A 28 2.052 12.407 -3.249 1.00 0.00 O ATOM 0 H SER A 28 2.354 10.921 -5.214 1.00 0.00 H new ATOM 0 HA SER A 28 4.070 10.556 -3.039 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.018 10.639 -3.060 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.057 11.044 -1.709 1.00 0.00 H new ATOM 0 HG SER A 28 1.601 12.482 -4.116 1.00 0.00 H new ATOM 457 N ARG A 29 2.199 7.964 -3.778 1.00 0.00 N ATOM 458 CA ARG A 29 1.928 6.560 -3.465 1.00 0.00 C ATOM 459 C ARG A 29 3.244 5.795 -3.224 1.00 0.00 C ATOM 460 O ARG A 29 3.340 5.004 -2.281 1.00 0.00 O ATOM 461 CB ARG A 29 1.152 5.916 -4.633 1.00 0.00 C ATOM 462 CG ARG A 29 0.345 4.651 -4.336 1.00 0.00 C ATOM 463 CD ARG A 29 1.168 3.414 -3.979 1.00 0.00 C ATOM 464 NE ARG A 29 2.195 3.059 -4.968 1.00 0.00 N ATOM 465 CZ ARG A 29 3.191 2.203 -4.769 1.00 0.00 C ATOM 466 NH1 ARG A 29 3.466 1.701 -3.585 1.00 0.00 N ATOM 467 NH2 ARG A 29 3.924 1.812 -5.785 1.00 0.00 N ATOM 0 H ARG A 29 1.792 8.282 -4.658 1.00 0.00 H new ATOM 0 HA ARG A 29 1.329 6.509 -2.556 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.468 6.664 -5.035 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.867 5.681 -5.422 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.338 4.862 -3.513 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.268 4.419 -5.207 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.651 3.580 -3.016 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.493 2.567 -3.855 1.00 0.00 H new ATOM 0 HE ARG A 29 2.138 3.507 -5.883 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.905 1.966 -2.776 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.240 1.046 -3.476 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.728 2.165 -6.721 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.690 1.155 -5.638 1.00 0.00 H new ATOM 481 N LYS A 30 4.283 6.117 -4.018 1.00 0.00 N ATOM 482 CA LYS A 30 5.616 5.488 -3.868 1.00 0.00 C ATOM 483 C LYS A 30 6.172 5.675 -2.432 1.00 0.00 C ATOM 484 O LYS A 30 6.850 4.797 -1.907 1.00 0.00 O ATOM 485 CB LYS A 30 6.597 6.111 -4.887 1.00 0.00 C ATOM 486 CG LYS A 30 8.020 5.519 -4.883 1.00 0.00 C ATOM 487 CD LYS A 30 8.104 3.997 -5.084 1.00 0.00 C ATOM 488 CE LYS A 30 7.467 3.547 -6.402 1.00 0.00 C ATOM 489 NZ LYS A 30 7.644 2.096 -6.612 1.00 0.00 N ATOM 0 H LYS A 30 4.229 6.806 -4.768 1.00 0.00 H new ATOM 0 HA LYS A 30 5.511 4.419 -4.054 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.177 5.997 -5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.667 7.181 -4.691 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.599 6.004 -5.669 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.496 5.770 -3.935 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.149 3.688 -5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.607 3.495 -4.253 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.404 3.790 -6.397 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.915 4.095 -7.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.203 1.819 -7.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.659 1.871 -6.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.195 1.575 -5.832 1.00 0.00 H new ATOM 503 N HIS A 31 5.888 6.831 -1.829 1.00 0.00 N ATOM 504 CA HIS A 31 6.422 7.185 -0.503 1.00 0.00 C ATOM 505 C HIS A 31 5.489 6.711 0.644 1.00 0.00 C ATOM 506 O HIS A 31 5.877 6.746 1.806 1.00 0.00 O ATOM 507 CB HIS A 31 6.639 8.707 -0.407 1.00 0.00 C ATOM 508 CG HIS A 31 7.712 9.198 -1.355 1.00 0.00 C ATOM 509 ND1 HIS A 31 8.927 8.584 -1.568 1.00 0.00 N ATOM 510 CD2 HIS A 31 7.698 10.352 -2.099 1.00 0.00 C ATOM 511 CE1 HIS A 31 9.635 9.362 -2.405 1.00 0.00 C ATOM 512 NE2 HIS A 31 8.930 10.441 -2.754 1.00 0.00 N ATOM 0 H HIS A 31 5.287 7.546 -2.238 1.00 0.00 H new ATOM 0 HA HIS A 31 7.377 6.672 -0.388 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.702 9.219 -0.626 1.00 0.00 H new ATOM 0 HB3 HIS A 31 6.914 8.968 0.615 1.00 0.00 H new ATOM 0 HD1 HIS A 31 9.234 7.699 -1.164 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.885 11.060 -2.166 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.636 9.144 -2.748 1.00 0.00 H new ATOM 520 N THR A 32 4.239 6.324 0.312 1.00 0.00 N ATOM 521 CA THR A 32 3.226 6.060 1.373 1.00 0.00 C ATOM 522 C THR A 32 3.700 4.955 2.334 1.00 0.00 C ATOM 523 O THR A 32 3.454 5.026 3.537 1.00 0.00 O ATOM 524 CB THR A 32 1.878 5.620 0.763 1.00 0.00 C ATOM 525 OG1 THR A 32 2.003 4.551 -0.162 1.00 0.00 O ATOM 526 CG2 THR A 32 1.101 6.773 0.139 1.00 0.00 C ATOM 0 H THR A 32 3.908 6.189 -0.644 1.00 0.00 H new ATOM 0 HA THR A 32 3.097 6.994 1.919 1.00 0.00 H new ATOM 0 HB THR A 32 1.302 5.252 1.612 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.224 4.909 -1.047 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.163 6.399 -0.272 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.890 7.524 0.901 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.694 7.222 -0.658 1.00 0.00 H new ATOM 592 N TYR A 37 7.216 -1.853 9.565 1.00 0.00 N ATOM 593 CA TYR A 37 7.023 -2.320 10.958 1.00 0.00 C ATOM 594 C TYR A 37 7.556 -3.763 11.125 1.00 0.00 C ATOM 595 O TYR A 37 7.751 -4.469 10.149 1.00 0.00 O ATOM 596 CB TYR A 37 5.522 -2.288 11.326 1.00 0.00 C ATOM 597 CG TYR A 37 4.733 -1.000 11.147 1.00 0.00 C ATOM 598 CD1 TYR A 37 4.398 -0.536 9.860 1.00 0.00 C ATOM 599 CD2 TYR A 37 4.246 -0.312 12.281 1.00 0.00 C ATOM 600 CE1 TYR A 37 3.646 0.641 9.705 1.00 0.00 C ATOM 601 CE2 TYR A 37 3.455 0.844 12.131 1.00 0.00 C ATOM 602 CZ TYR A 37 3.160 1.326 10.837 1.00 0.00 C ATOM 603 OH TYR A 37 2.380 2.428 10.667 1.00 0.00 O ATOM 0 HA TYR A 37 7.576 -1.655 11.621 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.025 -3.059 10.738 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.436 -2.581 12.373 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.720 -1.087 8.989 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.482 -0.675 13.270 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.440 1.022 8.716 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.076 1.359 13.001 1.00 0.00 H new ATOM 0 HH TYR A 37 2.124 2.786 11.543 1.00 0.00 H new ATOM 613 N GLN A 38 7.756 -4.191 12.380 1.00 0.00 N ATOM 614 CA GLN A 38 8.052 -5.610 12.689 1.00 0.00 C ATOM 615 C GLN A 38 7.176 -6.096 13.850 1.00 0.00 C ATOM 616 O GLN A 38 6.898 -5.339 14.782 1.00 0.00 O ATOM 617 CB GLN A 38 9.538 -5.768 13.059 1.00 0.00 C ATOM 618 CG GLN A 38 10.022 -7.227 12.963 1.00 0.00 C ATOM 619 CD GLN A 38 11.247 -7.482 13.825 1.00 0.00 C ATOM 620 OE1 GLN A 38 12.379 -7.345 13.386 1.00 0.00 O ATOM 621 NE2 GLN A 38 11.048 -7.860 15.075 1.00 0.00 N ATOM 0 H GLN A 38 7.720 -3.583 13.198 1.00 0.00 H new ATOM 0 HA GLN A 38 7.835 -6.212 11.806 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.141 -5.145 12.398 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.696 -5.403 14.074 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.218 -7.896 13.270 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.255 -7.464 11.925 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.098 -7.971 15.429 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.844 -8.041 15.686 1.00 0.00 H new ATOM 630 N CYS A 39 6.811 -7.382 13.823 1.00 0.00 N ATOM 631 CA CYS A 39 6.163 -8.023 14.972 1.00 0.00 C ATOM 632 C CYS A 39 7.197 -8.309 16.092 1.00 0.00 C ATOM 633 O CYS A 39 8.414 -8.207 15.877 1.00 0.00 O ATOM 634 CB CYS A 39 5.493 -9.335 14.537 1.00 0.00 C ATOM 635 SG CYS A 39 4.420 -9.979 15.871 1.00 0.00 S ATOM 0 H CYS A 39 6.952 -7.997 13.022 1.00 0.00 H new ATOM 0 HA CYS A 39 5.404 -7.344 15.361 1.00 0.00 H new ATOM 0 HB2 CYS A 39 4.903 -9.168 13.636 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.255 -10.073 14.286 1.00 0.00 H new ATOM 0 HG CYS A 39 4.221 -11.251 15.691 1.00 0.00 H new ATOM 731 N ARG A 46 8.470 -11.202 12.232 1.00 0.00 N ATOM 732 CA ARG A 46 8.282 -10.914 10.806 1.00 0.00 C ATOM 733 C ARG A 46 8.125 -9.416 10.585 1.00 0.00 C ATOM 734 O ARG A 46 7.607 -8.703 11.449 1.00 0.00 O ATOM 735 CB ARG A 46 7.028 -11.647 10.283 1.00 0.00 C ATOM 736 CG ARG A 46 7.127 -13.181 10.377 1.00 0.00 C ATOM 737 CD ARG A 46 5.764 -13.841 10.119 1.00 0.00 C ATOM 738 NE ARG A 46 5.813 -15.296 10.362 1.00 0.00 N ATOM 739 CZ ARG A 46 5.450 -15.937 11.471 1.00 0.00 C ATOM 740 NH1 ARG A 46 4.857 -15.365 12.488 1.00 0.00 N ATOM 741 NH2 ARG A 46 5.707 -17.219 11.616 1.00 0.00 N ATOM 0 HA ARG A 46 9.160 -11.263 10.262 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.159 -11.312 10.849 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.859 -11.365 9.244 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.854 -13.546 9.652 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.491 -13.465 11.364 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.011 -13.388 10.765 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.456 -13.653 9.090 1.00 0.00 H new ATOM 0 HE ARG A 46 6.163 -15.873 9.597 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.646 -14.367 12.460 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.606 -15.917 13.308 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.188 -17.730 10.876 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.425 -17.702 12.469 1.00 0.00 H new ATOM 755 N ARG A 47 8.555 -8.940 9.413 1.00 0.00 N ATOM 756 CA ARG A 47 8.485 -7.515 9.085 1.00 0.00 C ATOM 757 C ARG A 47 7.439 -7.251 7.997 1.00 0.00 C ATOM 758 O ARG A 47 7.137 -8.118 7.179 1.00 0.00 O ATOM 759 CB ARG A 47 9.865 -7.011 8.621 1.00 0.00 C ATOM 760 CG ARG A 47 10.446 -7.650 7.342 1.00 0.00 C ATOM 761 CD ARG A 47 11.862 -8.227 7.530 1.00 0.00 C ATOM 762 NE ARG A 47 11.831 -9.617 8.018 1.00 0.00 N ATOM 763 CZ ARG A 47 11.788 -10.044 9.276 1.00 0.00 C ATOM 764 NH1 ARG A 47 11.866 -9.256 10.321 1.00 0.00 N ATOM 765 NH2 ARG A 47 11.619 -11.319 9.527 1.00 0.00 N ATOM 0 H ARG A 47 8.955 -9.521 8.676 1.00 0.00 H new ATOM 0 HA ARG A 47 8.187 -6.974 9.983 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.798 -5.935 8.462 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.575 -7.170 9.433 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.780 -8.446 7.008 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.470 -6.901 6.550 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.398 -8.187 6.582 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.415 -7.607 8.236 1.00 0.00 H new ATOM 0 HE ARG A 47 11.844 -10.342 7.301 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.966 -8.249 10.194 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.826 -9.650 11.261 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.521 -11.982 8.758 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.586 -11.649 10.492 1.00 0.00 H new ATOM 779 N PHE A 48 6.915 -6.032 7.999 1.00 0.00 N ATOM 780 CA PHE A 48 5.890 -5.600 7.061 1.00 0.00 C ATOM 781 C PHE A 48 6.172 -4.163 6.616 1.00 0.00 C ATOM 782 O PHE A 48 6.989 -3.473 7.218 1.00 0.00 O ATOM 783 CB PHE A 48 4.510 -5.679 7.732 1.00 0.00 C ATOM 784 CG PHE A 48 4.183 -7.076 8.228 1.00 0.00 C ATOM 785 CD1 PHE A 48 3.613 -8.017 7.351 1.00 0.00 C ATOM 786 CD2 PHE A 48 4.569 -7.477 9.523 1.00 0.00 C ATOM 787 CE1 PHE A 48 3.464 -9.353 7.754 1.00 0.00 C ATOM 788 CE2 PHE A 48 4.423 -8.815 9.930 1.00 0.00 C ATOM 789 CZ PHE A 48 3.910 -9.758 9.024 1.00 0.00 C ATOM 0 H PHE A 48 7.194 -5.308 8.661 1.00 0.00 H new ATOM 0 HA PHE A 48 5.900 -6.252 6.188 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.477 -4.983 8.570 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.746 -5.361 7.023 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.290 -7.711 6.367 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.980 -6.751 10.208 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.007 -10.070 7.088 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.702 -9.115 10.929 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.858 -10.800 9.305 1.00 0.00 H new ATOM 799 N SER A 49 5.522 -3.730 5.540 1.00 0.00 N ATOM 800 CA SER A 49 5.788 -2.403 4.957 1.00 0.00 C ATOM 801 C SER A 49 4.650 -1.406 5.260 1.00 0.00 C ATOM 802 O SER A 49 4.785 -0.214 5.000 1.00 0.00 O ATOM 803 CB SER A 49 5.968 -2.529 3.438 1.00 0.00 C ATOM 804 OG SER A 49 4.784 -2.983 2.807 1.00 0.00 O ATOM 0 H SER A 49 4.809 -4.270 5.050 1.00 0.00 H new ATOM 0 HA SER A 49 6.702 -2.019 5.411 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.254 -1.562 3.024 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.783 -3.221 3.224 1.00 0.00 H new ATOM 0 HG SER A 49 4.496 -3.824 3.219 1.00 0.00 H new ATOM 810 N ARG A 50 3.540 -1.903 5.838 1.00 0.00 N ATOM 811 CA ARG A 50 2.402 -1.043 6.204 1.00 0.00 C ATOM 812 C ARG A 50 1.789 -1.476 7.536 1.00 0.00 C ATOM 813 O ARG A 50 1.860 -2.654 7.922 1.00 0.00 O ATOM 814 CB ARG A 50 1.325 -1.094 5.106 1.00 0.00 C ATOM 815 CG ARG A 50 1.713 -0.403 3.790 1.00 0.00 C ATOM 816 CD ARG A 50 0.478 -0.190 2.898 1.00 0.00 C ATOM 817 NE ARG A 50 -0.131 -1.465 2.476 1.00 0.00 N ATOM 818 CZ ARG A 50 0.083 -2.104 1.331 1.00 0.00 C ATOM 819 NH1 ARG A 50 0.955 -1.678 0.453 1.00 0.00 N ATOM 820 NH2 ARG A 50 -0.495 -3.251 1.095 1.00 0.00 N ATOM 0 H ARG A 50 3.409 -2.890 6.060 1.00 0.00 H new ATOM 0 HA ARG A 50 2.773 -0.023 6.307 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.089 -2.137 4.896 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.415 -0.632 5.488 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.183 0.557 4.003 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.449 -1.007 3.260 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.261 0.402 3.438 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.763 0.384 2.016 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.782 -1.900 3.129 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.494 -0.832 0.639 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.096 -2.192 -0.417 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.116 -3.662 1.792 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.326 -3.736 0.214 1.00 0.00 H new ATOM 834 N SER A 51 1.115 -0.530 8.197 1.00 0.00 N ATOM 835 CA SER A 51 0.422 -0.797 9.454 1.00 0.00 C ATOM 836 C SER A 51 -0.627 -1.887 9.264 1.00 0.00 C ATOM 837 O SER A 51 -0.740 -2.792 10.080 1.00 0.00 O ATOM 838 CB SER A 51 -0.261 0.491 9.963 1.00 0.00 C ATOM 839 OG SER A 51 0.239 1.664 9.340 1.00 0.00 O ATOM 0 H SER A 51 1.036 0.435 7.876 1.00 0.00 H new ATOM 0 HA SER A 51 1.155 -1.135 10.187 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.334 0.421 9.787 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.120 0.570 11.041 1.00 0.00 H new ATOM 0 HG SER A 51 1.133 1.863 9.688 1.00 0.00 H new ATOM 845 N ASP A 52 -1.398 -1.787 8.172 1.00 0.00 N ATOM 846 CA ASP A 52 -2.475 -2.739 7.897 1.00 0.00 C ATOM 847 C ASP A 52 -1.920 -4.141 7.610 1.00 0.00 C ATOM 848 O ASP A 52 -2.521 -5.132 7.999 1.00 0.00 O ATOM 849 CB ASP A 52 -3.309 -2.260 6.708 1.00 0.00 C ATOM 850 CG ASP A 52 -2.757 -2.609 5.318 1.00 0.00 C ATOM 851 OD1 ASP A 52 -1.784 -1.939 4.902 1.00 0.00 O ATOM 852 OD2 ASP A 52 -3.300 -3.540 4.682 1.00 0.00 O ATOM 0 H ASP A 52 -1.293 -1.056 7.468 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.106 -2.796 8.784 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.310 -2.683 6.797 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.413 -1.177 6.775 1.00 0.00 H new ATOM 857 N GLN A 53 -0.745 -4.210 6.966 1.00 0.00 N ATOM 858 CA GLN A 53 -0.084 -5.490 6.710 1.00 0.00 C ATOM 859 C GLN A 53 0.281 -6.172 8.030 1.00 0.00 C ATOM 860 O GLN A 53 -0.082 -7.325 8.261 1.00 0.00 O ATOM 861 CB GLN A 53 1.182 -5.278 5.869 1.00 0.00 C ATOM 862 CG GLN A 53 0.921 -4.976 4.387 1.00 0.00 C ATOM 863 CD GLN A 53 2.197 -4.527 3.668 1.00 0.00 C ATOM 864 OE1 GLN A 53 3.310 -4.572 4.181 1.00 0.00 O ATOM 865 NE2 GLN A 53 2.098 -4.062 2.442 1.00 0.00 N ATOM 0 H GLN A 53 -0.239 -3.397 6.616 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.773 -6.129 6.158 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.754 -4.456 6.299 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.804 -6.171 5.940 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.522 -5.865 3.899 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.162 -4.198 4.302 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.186 -4.012 1.988 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.933 -3.751 1.945 1.00 0.00 H new ATOM 874 N LEU A 54 0.945 -5.422 8.928 1.00 0.00 N ATOM 875 CA LEU A 54 1.289 -5.932 10.265 1.00 0.00 C ATOM 876 C LEU A 54 0.007 -6.275 11.072 1.00 0.00 C ATOM 877 O LEU A 54 -0.073 -7.328 11.697 1.00 0.00 O ATOM 878 CB LEU A 54 2.129 -4.877 11.028 1.00 0.00 C ATOM 879 CG LEU A 54 2.496 -5.240 12.487 1.00 0.00 C ATOM 880 CD1 LEU A 54 3.383 -6.481 12.614 1.00 0.00 C ATOM 881 CD2 LEU A 54 3.276 -4.102 13.152 1.00 0.00 C ATOM 0 H LEU A 54 1.252 -4.465 8.752 1.00 0.00 H new ATOM 0 HA LEU A 54 1.874 -6.844 10.148 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.051 -4.703 10.473 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.578 -3.936 11.034 1.00 0.00 H new ATOM 0 HG LEU A 54 1.536 -5.428 12.967 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.596 -6.670 13.666 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.868 -7.342 12.188 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.318 -6.316 12.078 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.523 -4.380 14.177 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.194 -3.916 12.595 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.667 -3.198 13.158 1.00 0.00 H new ATOM 893 N LYS A 55 -0.983 -5.366 11.052 1.00 0.00 N ATOM 894 CA LYS A 55 -2.230 -5.540 11.828 1.00 0.00 C ATOM 895 C LYS A 55 -3.042 -6.746 11.318 1.00 0.00 C ATOM 896 O LYS A 55 -3.564 -7.523 12.111 1.00 0.00 O ATOM 897 CB LYS A 55 -3.080 -4.261 11.737 1.00 0.00 C ATOM 898 CG LYS A 55 -4.297 -4.284 12.676 1.00 0.00 C ATOM 899 CD LYS A 55 -4.867 -2.879 12.927 1.00 0.00 C ATOM 900 CE LYS A 55 -5.431 -2.233 11.657 1.00 0.00 C ATOM 901 NZ LYS A 55 -5.904 -0.861 11.926 1.00 0.00 N ATOM 0 H LYS A 55 -0.947 -4.503 10.509 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.961 -5.729 12.867 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.458 -3.399 11.978 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.422 -4.130 10.710 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.073 -4.917 12.246 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.011 -4.733 13.627 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.654 -2.940 13.679 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.083 -2.242 13.337 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.663 -2.212 10.884 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.254 -2.836 11.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.281 -0.446 11.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.653 -0.887 12.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.112 -0.282 12.270 1.00 0.00 H new ATOM 915 N ARG A 56 -3.094 -6.922 9.993 1.00 0.00 N ATOM 916 CA ARG A 56 -3.697 -8.124 9.395 1.00 0.00 C ATOM 917 C ARG A 56 -2.927 -9.373 9.836 1.00 0.00 C ATOM 918 O ARG A 56 -3.521 -10.353 10.284 1.00 0.00 O ATOM 919 CB ARG A 56 -3.679 -8.009 7.856 1.00 0.00 C ATOM 920 CG ARG A 56 -4.381 -9.161 7.112 1.00 0.00 C ATOM 921 CD ARG A 56 -4.277 -8.995 5.584 1.00 0.00 C ATOM 922 NE ARG A 56 -2.887 -9.145 5.123 1.00 0.00 N ATOM 923 CZ ARG A 56 -2.446 -9.348 3.886 1.00 0.00 C ATOM 924 NH1 ARG A 56 -3.227 -9.453 2.834 1.00 0.00 N ATOM 925 NH2 ARG A 56 -1.151 -9.448 3.703 1.00 0.00 N ATOM 0 H ARG A 56 -2.729 -6.253 9.315 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.730 -8.209 9.734 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.152 -7.070 7.571 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.643 -7.958 7.522 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.935 -10.111 7.407 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.430 -9.198 7.404 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.908 -9.736 5.092 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.654 -8.014 5.296 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.170 -9.085 5.846 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.239 -9.379 2.940 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.821 -9.609 1.911 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.516 -9.370 4.498 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.779 -9.604 2.766 1.00 0.00 H new ATOM 939 N HIS A 57 -1.597 -9.285 9.801 1.00 0.00 N ATOM 940 CA HIS A 57 -0.734 -10.392 10.194 1.00 0.00 C ATOM 941 C HIS A 57 -0.969 -10.788 11.679 1.00 0.00 C ATOM 942 O HIS A 57 -1.017 -11.967 12.003 1.00 0.00 O ATOM 943 CB HIS A 57 0.737 -9.992 9.980 1.00 0.00 C ATOM 944 CG HIS A 57 1.680 -10.561 10.990 1.00 0.00 C ATOM 945 ND1 HIS A 57 2.175 -11.843 11.045 1.00 0.00 N ATOM 946 CD2 HIS A 57 2.075 -9.904 12.114 1.00 0.00 C ATOM 947 CE1 HIS A 57 2.855 -11.950 12.196 1.00 0.00 C ATOM 948 NE2 HIS A 57 2.823 -10.789 12.868 1.00 0.00 N ATOM 0 H HIS A 57 -1.094 -8.450 9.501 1.00 0.00 H new ATOM 0 HA HIS A 57 -0.974 -11.257 9.576 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.049 -10.314 8.986 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.813 -8.905 10.001 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.846 -8.880 12.370 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.357 -12.844 12.534 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.267 -10.596 13.766 1.00 0.00 H new ATOM 956 N GLN A 58 -1.194 -9.788 12.550 1.00 0.00 N ATOM 957 CA GLN A 58 -1.468 -10.037 13.990 1.00 0.00 C ATOM 958 C GLN A 58 -2.635 -11.039 14.176 1.00 0.00 C ATOM 959 O GLN A 58 -2.667 -11.786 15.160 1.00 0.00 O ATOM 960 CB GLN A 58 -1.780 -8.718 14.723 1.00 0.00 C ATOM 961 CG GLN A 58 -0.519 -7.887 15.043 1.00 0.00 C ATOM 962 CD GLN A 58 0.596 -8.693 15.721 1.00 0.00 C ATOM 963 OE1 GLN A 58 0.364 -9.377 16.710 1.00 0.00 O ATOM 964 NE2 GLN A 58 1.806 -8.638 15.192 1.00 0.00 N ATOM 0 H GLN A 58 -1.193 -8.802 12.290 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.570 -10.476 14.424 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.455 -8.120 14.111 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.305 -8.941 15.652 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.134 -7.457 14.118 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.798 -7.055 15.689 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.977 -8.062 14.368 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.569 -9.172 15.608 1.00 0.00 H new ATOM 973 N ARG A 59 -3.605 -11.031 13.240 1.00 0.00 N ATOM 974 CA ARG A 59 -4.760 -11.950 13.310 1.00 0.00 C ATOM 975 C ARG A 59 -4.288 -13.422 13.407 1.00 0.00 C ATOM 976 O ARG A 59 -4.916 -14.232 14.080 1.00 0.00 O ATOM 977 CB ARG A 59 -5.658 -11.770 12.070 1.00 0.00 C ATOM 978 CG ARG A 59 -6.191 -10.337 11.831 1.00 0.00 C ATOM 979 CD ARG A 59 -7.255 -9.832 12.817 1.00 0.00 C ATOM 980 NE ARG A 59 -6.748 -9.695 14.193 1.00 0.00 N ATOM 981 CZ ARG A 59 -6.073 -8.693 14.738 1.00 0.00 C ATOM 982 NH1 ARG A 59 -5.755 -7.600 14.085 1.00 0.00 N ATOM 983 NH2 ARG A 59 -5.685 -8.794 15.985 1.00 0.00 N ATOM 0 H ARG A 59 -3.613 -10.406 12.434 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.332 -11.710 14.206 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.096 -12.081 11.189 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.509 -12.445 12.160 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.346 -9.649 11.858 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.608 -10.291 10.825 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.629 -8.867 12.476 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.100 -10.520 12.814 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.944 -10.481 14.813 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.029 -7.491 13.109 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.234 -6.859 14.554 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.903 -9.634 16.521 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.165 -8.032 16.420 1.00 0.00 H new ATOM 997 N ARG A 60 -3.146 -13.734 12.765 1.00 0.00 N ATOM 998 CA ARG A 60 -2.515 -15.073 12.869 1.00 0.00 C ATOM 999 C ARG A 60 -2.242 -15.454 14.337 1.00 0.00 C ATOM 1000 O ARG A 60 -2.432 -16.602 14.725 1.00 0.00 O ATOM 1001 CB ARG A 60 -1.192 -15.078 12.087 1.00 0.00 C ATOM 1002 CG ARG A 60 -0.244 -16.276 12.262 1.00 0.00 C ATOM 1003 CD ARG A 60 0.944 -15.997 11.325 1.00 0.00 C ATOM 1004 NE ARG A 60 2.025 -16.987 11.373 1.00 0.00 N ATOM 1005 CZ ARG A 60 2.065 -18.187 10.808 1.00 0.00 C ATOM 1006 NH1 ARG A 60 0.999 -18.843 10.407 1.00 0.00 N ATOM 1007 NH2 ARG A 60 3.229 -18.777 10.673 1.00 0.00 N ATOM 0 H ARG A 60 -2.638 -13.081 12.168 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.204 -15.806 12.449 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.433 -14.997 11.027 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.642 -14.177 12.359 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.085 -16.369 13.297 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.740 -17.211 12.000 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.573 -15.938 10.302 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.358 -15.019 11.571 1.00 0.00 H new ATOM 0 HE ARG A 60 2.851 -16.719 11.909 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.073 -18.431 10.524 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.098 -19.764 9.979 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.077 -18.313 10.999 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.286 -19.700 10.242 1.00 0.00 H new ATOM 1021 N HIS A 61 -1.764 -14.490 15.130 1.00 0.00 N ATOM 1022 CA HIS A 61 -1.408 -14.743 16.534 1.00 0.00 C ATOM 1023 C HIS A 61 -2.645 -14.673 17.428 1.00 0.00 C ATOM 1024 O HIS A 61 -2.835 -15.514 18.302 1.00 0.00 O ATOM 1025 CB HIS A 61 -0.371 -13.710 17.005 1.00 0.00 C ATOM 1026 CG HIS A 61 0.900 -13.754 16.202 1.00 0.00 C ATOM 1027 ND1 HIS A 61 1.499 -14.894 15.714 1.00 0.00 N ATOM 1028 CD2 HIS A 61 1.653 -12.679 15.812 1.00 0.00 C ATOM 1029 CE1 HIS A 61 2.585 -14.509 15.028 1.00 0.00 C ATOM 1030 NE2 HIS A 61 2.722 -13.179 15.070 1.00 0.00 N ATOM 0 H HIS A 61 -1.614 -13.528 14.826 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.983 -15.744 16.605 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.803 -12.712 16.939 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.139 -13.888 18.055 1.00 0.00 H new ATOM 0 HD1 HIS A 61 1.177 -15.852 15.849 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.456 -11.641 16.037 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.256 -15.180 14.513 1.00 0.00 H new ATOM 1038 N THR A 62 -3.463 -13.638 17.225 1.00 0.00 N ATOM 1039 CA THR A 62 -4.638 -13.390 18.080 1.00 0.00 C ATOM 1040 C THR A 62 -5.800 -14.358 17.748 1.00 0.00 C ATOM 1041 O THR A 62 -6.788 -14.416 18.477 1.00 0.00 O ATOM 1042 CB THR A 62 -5.139 -11.944 17.906 1.00 0.00 C ATOM 1043 OG1 THR A 62 -5.502 -11.683 16.571 1.00 0.00 O ATOM 1044 CG2 THR A 62 -4.056 -10.914 18.234 1.00 0.00 C ATOM 0 H THR A 62 -3.338 -12.955 16.478 1.00 0.00 H new ATOM 0 HA THR A 62 -4.322 -13.555 19.110 1.00 0.00 H new ATOM 0 HB THR A 62 -5.987 -11.856 18.585 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.806 -11.143 16.142 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.456 -9.909 18.097 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.736 -11.039 19.268 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.203 -11.059 17.571 1.00 0.00 H new ATOM 1052 N GLY A 63 -5.662 -15.117 16.645 1.00 0.00 N ATOM 1053 CA GLY A 63 -6.692 -16.096 16.242 1.00 0.00 C ATOM 1054 C GLY A 63 -8.006 -15.428 15.771 1.00 0.00 C ATOM 1055 O GLY A 63 -8.980 -16.114 15.453 1.00 0.00 O ATOM 0 H GLY A 63 -4.856 -15.073 16.021 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.299 -16.719 15.439 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.907 -16.756 17.082 1.00 0.00 H new ATOM 1059 N VAL A 64 -8.029 -14.088 15.761 1.00 0.00 N ATOM 1060 CA VAL A 64 -9.249 -13.330 15.464 1.00 0.00 C ATOM 1061 C VAL A 64 -9.619 -13.447 13.976 1.00 0.00 C ATOM 1062 O VAL A 64 -8.964 -12.861 13.111 1.00 0.00 O ATOM 1063 CB VAL A 64 -9.051 -11.845 15.847 1.00 0.00 C ATOM 1064 CG1 VAL A 64 -10.179 -10.907 15.397 1.00 0.00 C ATOM 1065 CG2 VAL A 64 -8.961 -11.711 17.375 1.00 0.00 C ATOM 0 H VAL A 64 -7.214 -13.507 15.956 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.066 -13.748 16.052 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.137 -11.548 15.332 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.952 -9.888 15.710 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.269 -10.941 14.311 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.118 -11.225 15.849 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.821 -10.663 17.641 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.881 -12.081 17.827 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.116 -12.294 17.742 1.00 0.00 H new ATOM 1075 N LYS A 65 -10.702 -14.191 13.697 1.00 0.00 N ATOM 1076 CA LYS A 65 -11.254 -14.318 12.335 1.00 0.00 C ATOM 1077 C LYS A 65 -12.693 -13.750 12.291 1.00 0.00 C ATOM 1078 O LYS A 65 -13.658 -14.475 12.528 1.00 0.00 O ATOM 1079 CB LYS A 65 -11.260 -15.802 11.907 1.00 0.00 C ATOM 1080 CG LYS A 65 -9.854 -16.328 11.571 1.00 0.00 C ATOM 1081 CD LYS A 65 -9.813 -17.855 11.386 1.00 0.00 C ATOM 1082 CE LYS A 65 -9.287 -18.608 12.617 1.00 0.00 C ATOM 1083 NZ LYS A 65 -10.101 -18.371 13.826 1.00 0.00 N ATOM 0 H LYS A 65 -11.217 -14.718 14.402 1.00 0.00 H new ATOM 0 HA LYS A 65 -10.629 -13.751 11.645 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.687 -16.405 12.708 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -11.906 -15.923 11.037 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.500 -15.847 10.659 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.166 -16.045 12.368 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.816 -18.212 11.153 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.183 -18.092 10.528 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.267 -19.676 12.402 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.259 -18.303 12.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.994 -19.173 14.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.782 -17.498 14.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.101 -18.274 13.558 1.00 0.00 H new ATOM 1097 N PRO A 66 -12.830 -12.418 12.088 1.00 0.00 N ATOM 1098 CA PRO A 66 -14.110 -11.729 12.217 1.00 0.00 C ATOM 1099 C PRO A 66 -14.950 -11.770 10.927 1.00 0.00 C ATOM 1100 O PRO A 66 -16.165 -11.584 10.970 1.00 0.00 O ATOM 1101 CB PRO A 66 -13.706 -10.288 12.548 1.00 0.00 C ATOM 1102 CG PRO A 66 -12.393 -10.099 11.783 1.00 0.00 C ATOM 1103 CD PRO A 66 -11.741 -11.483 11.845 1.00 0.00 C ATOM 0 HA PRO A 66 -14.742 -12.198 12.971 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -14.464 -9.575 12.226 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.570 -10.146 13.620 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.569 -9.784 10.754 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.765 -9.338 12.246 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.225 -11.715 10.913 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.998 -11.531 12.641 1.00 0.00 H new ATOM 1111 N PHE A 67 -14.295 -12.022 9.783 1.00 0.00 N ATOM 1112 CA PHE A 67 -14.987 -12.051 8.491 1.00 0.00 C ATOM 1113 C PHE A 67 -15.726 -13.389 8.301 1.00 0.00 C ATOM 1114 O PHE A 67 -15.238 -14.276 7.619 1.00 0.00 O ATOM 1115 CB PHE A 67 -13.972 -11.842 7.342 1.00 0.00 C ATOM 1116 CG PHE A 67 -13.358 -10.456 7.256 1.00 0.00 C ATOM 1117 CD1 PHE A 67 -14.041 -9.412 6.602 1.00 0.00 C ATOM 1118 CD2 PHE A 67 -12.087 -10.213 7.810 1.00 0.00 C ATOM 1119 CE1 PHE A 67 -13.472 -8.127 6.540 1.00 0.00 C ATOM 1120 CE2 PHE A 67 -11.502 -8.939 7.720 1.00 0.00 C ATOM 1121 CZ PHE A 67 -12.198 -7.893 7.089 1.00 0.00 C ATOM 0 H PHE A 67 -13.293 -12.207 9.729 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.720 -11.244 8.474 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -13.168 -12.570 7.454 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.470 -12.059 6.397 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -15.003 -9.598 6.148 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.558 -11.012 8.308 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -14.014 -7.319 6.070 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.520 -8.764 8.134 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.755 -6.910 7.026 1.00 0.00 H new ATOM 1131 N GLN A 68 -16.851 -13.558 9.003 1.00 0.00 N ATOM 1132 CA GLN A 68 -17.590 -14.829 8.962 1.00 0.00 C ATOM 1133 C GLN A 68 -18.650 -14.822 7.857 1.00 0.00 C ATOM 1134 O GLN A 68 -19.482 -13.914 7.785 1.00 0.00 O ATOM 1135 CB GLN A 68 -18.263 -15.075 10.324 1.00 0.00 C ATOM 1136 CG GLN A 68 -18.987 -16.426 10.404 1.00 0.00 C ATOM 1137 CD GLN A 68 -19.455 -16.751 11.822 1.00 0.00 C ATOM 1138 OE1 GLN A 68 -18.690 -16.703 12.775 1.00 0.00 O ATOM 1139 NE2 GLN A 68 -20.710 -17.111 12.031 1.00 0.00 N ATOM 0 H GLN A 68 -17.267 -12.843 9.599 1.00 0.00 H new ATOM 0 HA GLN A 68 -16.882 -15.629 8.746 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -17.508 -15.027 11.109 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -18.977 -14.275 10.519 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -19.847 -16.415 9.734 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -18.320 -17.214 10.054 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -21.364 -17.157 11.250 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -21.024 -17.342 12.973 1.00 0.00 H new ATOM 1148 N CYS A 69 -18.656 -15.888 7.038 1.00 0.00 N ATOM 1149 CA CYS A 69 -19.708 -16.087 6.040 1.00 0.00 C ATOM 1150 C CYS A 69 -21.056 -16.303 6.726 1.00 0.00 C ATOM 1151 O CYS A 69 -21.206 -17.203 7.545 1.00 0.00 O ATOM 1152 CB CYS A 69 -19.384 -17.312 5.164 1.00 0.00 C ATOM 1153 SG CYS A 69 -20.740 -17.506 3.965 1.00 0.00 S ATOM 0 H CYS A 69 -17.945 -16.619 7.051 1.00 0.00 H new ATOM 0 HA CYS A 69 -19.760 -15.196 5.414 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -18.434 -17.173 4.648 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -19.285 -18.207 5.779 1.00 0.00 H new ATOM 0 HG CYS A 69 -20.268 -17.416 2.757 1.00 0.00 H new ATOM 1158 N LYS A 70 -22.046 -15.478 6.376 1.00 0.00 N ATOM 1159 CA LYS A 70 -23.394 -15.606 6.948 1.00 0.00 C ATOM 1160 C LYS A 70 -24.091 -16.892 6.456 1.00 0.00 C ATOM 1161 O LYS A 70 -25.110 -17.299 7.015 1.00 0.00 O ATOM 1162 CB LYS A 70 -24.240 -14.380 6.568 1.00 0.00 C ATOM 1163 CG LYS A 70 -23.733 -13.049 7.158 1.00 0.00 C ATOM 1164 CD LYS A 70 -23.903 -12.911 8.685 1.00 0.00 C ATOM 1165 CE LYS A 70 -22.744 -13.447 9.543 1.00 0.00 C ATOM 1166 NZ LYS A 70 -21.515 -12.643 9.385 1.00 0.00 N ATOM 0 H LYS A 70 -21.944 -14.718 5.704 1.00 0.00 H new ATOM 0 HA LYS A 70 -23.298 -15.664 8.032 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -24.267 -14.295 5.482 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -25.265 -14.544 6.901 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -22.677 -12.938 6.913 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -24.261 -12.228 6.672 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -24.046 -11.857 8.921 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -24.816 -13.430 8.978 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -23.042 -13.450 10.592 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -22.538 -14.481 9.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -20.827 -13.170 8.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -21.746 -11.745 8.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -21.106 -12.447 10.321 1.00 0.00 H new ATOM 1180 N THR A 71 -23.507 -17.542 5.439 1.00 0.00 N ATOM 1181 CA THR A 71 -24.059 -18.783 4.877 1.00 0.00 C ATOM 1182 C THR A 71 -23.618 -20.002 5.710 1.00 0.00 C ATOM 1183 O THR A 71 -24.421 -20.591 6.437 1.00 0.00 O ATOM 1184 CB THR A 71 -23.594 -18.982 3.404 1.00 0.00 C ATOM 1185 OG1 THR A 71 -23.285 -17.763 2.771 1.00 0.00 O ATOM 1186 CG2 THR A 71 -24.625 -19.702 2.544 1.00 0.00 C ATOM 0 H THR A 71 -22.649 -17.227 4.987 1.00 0.00 H new ATOM 0 HA THR A 71 -25.145 -18.699 4.903 1.00 0.00 H new ATOM 0 HB THR A 71 -22.699 -19.599 3.485 1.00 0.00 H new ATOM 0 HG1 THR A 71 -22.351 -17.528 2.951 1.00 0.00 H new ATOM 0 HG21 THR A 71 -24.241 -19.810 1.529 1.00 0.00 H new ATOM 0 HG22 THR A 71 -24.824 -20.688 2.963 1.00 0.00 H new ATOM 0 HG23 THR A 71 -25.549 -19.124 2.523 1.00 0.00 H new ATOM 1194 N CYS A 72 -22.335 -20.377 5.588 1.00 0.00 N ATOM 1195 CA CYS A 72 -21.810 -21.600 6.205 1.00 0.00 C ATOM 1196 C CYS A 72 -21.159 -21.311 7.576 1.00 0.00 C ATOM 1197 O CYS A 72 -20.776 -22.239 8.291 1.00 0.00 O ATOM 1198 CB CYS A 72 -20.779 -22.224 5.277 1.00 0.00 C ATOM 1199 SG CYS A 72 -19.552 -20.958 4.929 1.00 0.00 S ATOM 0 H CYS A 72 -21.640 -19.845 5.064 1.00 0.00 H new ATOM 0 HA CYS A 72 -22.642 -22.285 6.366 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -20.315 -23.093 5.744 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -21.248 -22.570 4.356 1.00 0.00 H new ATOM 0 HG CYS A 72 -18.751 -21.375 3.993 1.00 0.00 H new ATOM 1204 N GLN A 73 -21.010 -20.015 7.906 1.00 0.00 N ATOM 1205 CA GLN A 73 -20.341 -19.574 9.154 1.00 0.00 C ATOM 1206 C GLN A 73 -18.813 -19.802 9.078 1.00 0.00 C ATOM 1207 O GLN A 73 -18.123 -19.789 10.101 1.00 0.00 O ATOM 1208 CB GLN A 73 -20.938 -20.304 10.387 1.00 0.00 C ATOM 1209 CG GLN A 73 -22.483 -20.317 10.419 1.00 0.00 C ATOM 1210 CD GLN A 73 -23.129 -19.011 9.936 1.00 0.00 C ATOM 1211 OE1 GLN A 73 -22.868 -17.934 10.467 1.00 0.00 O ATOM 1212 NE2 GLN A 73 -23.963 -19.073 8.910 1.00 0.00 N ATOM 0 H GLN A 73 -21.345 -19.247 7.324 1.00 0.00 H new ATOM 0 HA GLN A 73 -20.519 -18.505 9.267 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -20.575 -21.332 10.399 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -20.569 -19.825 11.294 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -22.842 -21.139 9.799 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -22.813 -20.518 11.438 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -24.173 -19.972 8.477 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -24.396 -18.221 8.553 1.00 0.00 H new ATOM 1221 N ARG A 74 -18.285 -19.911 7.842 1.00 0.00 N ATOM 1222 CA ARG A 74 -16.835 -19.956 7.614 1.00 0.00 C ATOM 1223 C ARG A 74 -16.186 -18.641 8.029 1.00 0.00 C ATOM 1224 O ARG A 74 -16.373 -17.614 7.377 1.00 0.00 O ATOM 1225 CB ARG A 74 -16.541 -20.223 6.127 1.00 0.00 C ATOM 1226 CG ARG A 74 -16.447 -21.717 5.786 1.00 0.00 C ATOM 1227 CD ARG A 74 -15.004 -22.237 5.875 1.00 0.00 C ATOM 1228 NE ARG A 74 -14.401 -22.110 7.219 1.00 0.00 N ATOM 1229 CZ ARG A 74 -13.600 -21.139 7.660 1.00 0.00 C ATOM 1230 NH1 ARG A 74 -13.187 -20.140 6.917 1.00 0.00 N ATOM 1231 NH2 ARG A 74 -13.203 -21.114 8.910 1.00 0.00 N ATOM 0 H ARG A 74 -18.844 -19.969 6.991 1.00 0.00 H new ATOM 0 HA ARG A 74 -16.420 -20.763 8.218 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -17.325 -19.768 5.521 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -15.605 -19.736 5.856 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -17.080 -22.285 6.468 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -16.831 -21.884 4.780 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -14.988 -23.286 5.578 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -14.388 -21.693 5.159 1.00 0.00 H new ATOM 0 HE ARG A 74 -14.623 -22.850 7.885 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.479 -20.075 5.942 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.574 -19.428 7.315 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.507 -21.842 9.556 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.590 -20.366 9.236 1.00 0.00 H new ATOM 1245 N LYS A 75 -15.468 -18.665 9.156 1.00 0.00 N ATOM 1246 CA LYS A 75 -14.841 -17.460 9.692 1.00 0.00 C ATOM 1247 C LYS A 75 -13.442 -17.253 9.096 1.00 0.00 C ATOM 1248 O LYS A 75 -12.596 -18.152 9.130 1.00 0.00 O ATOM 1249 CB LYS A 75 -14.758 -17.547 11.225 1.00 0.00 C ATOM 1250 CG LYS A 75 -14.197 -18.837 11.849 1.00 0.00 C ATOM 1251 CD LYS A 75 -14.197 -18.802 13.389 1.00 0.00 C ATOM 1252 CE LYS A 75 -15.604 -18.728 14.009 1.00 0.00 C ATOM 1253 NZ LYS A 75 -16.071 -17.337 14.191 1.00 0.00 N ATOM 0 H LYS A 75 -15.309 -19.505 9.712 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.456 -16.604 9.415 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.146 -16.715 11.573 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -15.761 -17.393 11.622 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -14.789 -19.687 11.509 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.179 -18.995 11.493 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.692 -19.692 13.763 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.617 -17.942 13.724 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -16.307 -19.263 13.371 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.599 -19.235 14.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.226 -17.152 15.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.353 -16.679 13.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.963 -17.200 13.673 1.00 0.00 H new ATOM 1267 N PHE A 76 -13.225 -16.058 8.536 1.00 0.00 N ATOM 1268 CA PHE A 76 -11.959 -15.695 7.900 1.00 0.00 C ATOM 1269 C PHE A 76 -11.310 -14.512 8.622 1.00 0.00 C ATOM 1270 O PHE A 76 -11.979 -13.759 9.333 1.00 0.00 O ATOM 1271 CB PHE A 76 -12.210 -15.314 6.424 1.00 0.00 C ATOM 1272 CG PHE A 76 -12.797 -16.409 5.572 1.00 0.00 C ATOM 1273 CD1 PHE A 76 -11.957 -17.399 5.036 1.00 0.00 C ATOM 1274 CD2 PHE A 76 -14.182 -16.446 5.326 1.00 0.00 C ATOM 1275 CE1 PHE A 76 -12.508 -18.440 4.277 1.00 0.00 C ATOM 1276 CE2 PHE A 76 -14.736 -17.501 4.592 1.00 0.00 C ATOM 1277 CZ PHE A 76 -13.899 -18.505 4.082 1.00 0.00 C ATOM 0 H PHE A 76 -13.925 -15.316 8.512 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.288 -16.552 7.954 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.880 -14.454 6.396 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.266 -14.997 5.981 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.892 -17.358 5.208 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -14.818 -15.659 5.704 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.865 -19.191 3.842 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -15.801 -17.542 4.419 1.00 0.00 H new ATOM 0 HZ PHE A 76 -14.326 -19.333 3.536 1.00 0.00 H new ATOM 1287 N SER A 77 -10.013 -14.320 8.383 1.00 0.00 N ATOM 1288 CA SER A 77 -9.276 -13.185 8.948 1.00 0.00 C ATOM 1289 C SER A 77 -9.039 -12.092 7.888 1.00 0.00 C ATOM 1290 O SER A 77 -8.419 -11.068 8.177 1.00 0.00 O ATOM 1291 CB SER A 77 -7.921 -13.669 9.498 1.00 0.00 C ATOM 1292 OG SER A 77 -7.271 -14.486 8.533 1.00 0.00 O ATOM 0 H SER A 77 -9.447 -14.937 7.800 1.00 0.00 H new ATOM 0 HA SER A 77 -9.873 -12.759 9.754 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.293 -12.813 9.745 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.072 -14.230 10.420 1.00 0.00 H new ATOM 0 HG SER A 77 -6.409 -14.789 8.888 1.00 0.00 H new ATOM 1298 N ARG A 78 -9.554 -12.315 6.661 1.00 0.00 N ATOM 1299 CA ARG A 78 -9.378 -11.362 5.558 1.00 0.00 C ATOM 1300 C ARG A 78 -10.654 -11.234 4.728 1.00 0.00 C ATOM 1301 O ARG A 78 -11.307 -12.235 4.407 1.00 0.00 O ATOM 1302 CB ARG A 78 -8.239 -11.818 4.650 1.00 0.00 C ATOM 1303 CG ARG A 78 -6.885 -12.048 5.317 1.00 0.00 C ATOM 1304 CD ARG A 78 -5.896 -12.325 4.188 1.00 0.00 C ATOM 1305 NE ARG A 78 -4.560 -12.600 4.699 1.00 0.00 N ATOM 1306 CZ ARG A 78 -3.519 -12.936 3.954 1.00 0.00 C ATOM 1307 NH1 ARG A 78 -3.605 -13.317 2.701 1.00 0.00 N ATOM 1308 NH2 ARG A 78 -2.354 -12.848 4.535 1.00 0.00 N ATOM 0 H ARG A 78 -10.093 -13.145 6.415 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.143 -10.391 5.993 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.541 -12.745 4.163 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.110 -11.073 3.865 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.582 -11.175 5.894 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.930 -12.888 6.010 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.243 -13.175 3.600 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.860 -11.467 3.517 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.416 -12.528 5.706 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.516 -13.368 2.245 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.761 -13.562 2.184 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.290 -12.536 5.504 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.508 -13.091 4.020 1.00 0.00 H new ATOM 1322 N SER A 79 -10.919 -10.012 4.264 1.00 0.00 N ATOM 1323 CA SER A 79 -12.015 -9.752 3.335 1.00 0.00 C ATOM 1324 C SER A 79 -11.734 -10.384 1.956 1.00 0.00 C ATOM 1325 O SER A 79 -12.651 -10.817 1.277 1.00 0.00 O ATOM 1326 CB SER A 79 -12.214 -8.242 3.178 1.00 0.00 C ATOM 1327 OG SER A 79 -10.975 -7.606 2.915 1.00 0.00 O ATOM 0 H SER A 79 -10.384 -9.182 4.520 1.00 0.00 H new ATOM 0 HA SER A 79 -12.921 -10.202 3.741 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.912 -8.043 2.365 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.656 -7.831 4.085 1.00 0.00 H new ATOM 0 HG SER A 79 -11.117 -6.642 2.815 1.00 0.00 H new ATOM 1333 N ASP A 80 -10.451 -10.417 1.552 1.00 0.00 N ATOM 1334 CA ASP A 80 -10.063 -10.990 0.243 1.00 0.00 C ATOM 1335 C ASP A 80 -10.318 -12.529 0.203 1.00 0.00 C ATOM 1336 O ASP A 80 -10.806 -13.060 -0.803 1.00 0.00 O ATOM 1337 CB ASP A 80 -8.577 -10.683 -0.053 1.00 0.00 C ATOM 1338 CG ASP A 80 -7.539 -10.939 1.040 1.00 0.00 C ATOM 1339 OD1 ASP A 80 -7.556 -12.044 1.616 1.00 0.00 O ATOM 1340 OD2 ASP A 80 -6.718 -10.022 1.272 1.00 0.00 O ATOM 0 H ASP A 80 -9.671 -10.059 2.103 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.681 -10.528 -0.527 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.287 -11.267 -0.926 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.507 -9.632 -0.335 1.00 0.00 H new ATOM 1345 N HIS A 81 -10.054 -13.216 1.328 1.00 0.00 N ATOM 1346 CA HIS A 81 -10.369 -14.649 1.459 1.00 0.00 C ATOM 1347 C HIS A 81 -11.884 -14.860 1.560 1.00 0.00 C ATOM 1348 O HIS A 81 -12.417 -15.805 0.991 1.00 0.00 O ATOM 1349 CB HIS A 81 -9.686 -15.236 2.706 1.00 0.00 C ATOM 1350 CG HIS A 81 -8.187 -15.373 2.667 1.00 0.00 C ATOM 1351 ND1 HIS A 81 -7.439 -15.784 3.737 1.00 0.00 N ATOM 1352 CD2 HIS A 81 -7.326 -15.089 1.640 1.00 0.00 C ATOM 1353 CE1 HIS A 81 -6.153 -15.765 3.363 1.00 0.00 C ATOM 1354 NE2 HIS A 81 -6.027 -15.296 2.112 1.00 0.00 N ATOM 0 H HIS A 81 -9.625 -12.804 2.157 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.997 -15.160 0.571 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.946 -14.611 3.560 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.111 -16.222 2.892 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -7.796 -16.056 4.653 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.601 -14.765 0.647 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.329 -16.084 3.984 1.00 0.00 H new ATOM 1362 N LEU A 82 -12.580 -13.950 2.265 1.00 0.00 N ATOM 1363 CA LEU A 82 -14.042 -14.011 2.373 1.00 0.00 C ATOM 1364 C LEU A 82 -14.703 -13.803 0.996 1.00 0.00 C ATOM 1365 O LEU A 82 -15.596 -14.552 0.614 1.00 0.00 O ATOM 1366 CB LEU A 82 -14.540 -12.946 3.357 1.00 0.00 C ATOM 1367 CG LEU A 82 -16.077 -13.006 3.531 1.00 0.00 C ATOM 1368 CD1 LEU A 82 -16.430 -12.785 4.994 1.00 0.00 C ATOM 1369 CD2 LEU A 82 -16.820 -11.959 2.691 1.00 0.00 C ATOM 0 H LEU A 82 -12.153 -13.170 2.764 1.00 0.00 H new ATOM 0 HA LEU A 82 -14.317 -14.999 2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -14.058 -13.089 4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -14.252 -11.957 3.000 1.00 0.00 H new ATOM 0 HG LEU A 82 -16.392 -13.992 3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.512 -12.827 5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -15.965 -13.561 5.602 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -16.066 -11.808 5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -17.893 -12.054 2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -16.494 -10.961 2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.601 -12.118 1.635 1.00 0.00 H new ATOM 1381 N LYS A 83 -14.242 -12.786 0.253 1.00 0.00 N ATOM 1382 CA LYS A 83 -14.743 -12.511 -1.106 1.00 0.00 C ATOM 1383 C LYS A 83 -14.397 -13.667 -2.053 1.00 0.00 C ATOM 1384 O LYS A 83 -15.178 -14.008 -2.937 1.00 0.00 O ATOM 1385 CB LYS A 83 -14.126 -11.201 -1.630 1.00 0.00 C ATOM 1386 CG LYS A 83 -14.708 -10.739 -2.975 1.00 0.00 C ATOM 1387 CD LYS A 83 -14.101 -9.394 -3.397 1.00 0.00 C ATOM 1388 CE LYS A 83 -14.727 -8.929 -4.715 1.00 0.00 C ATOM 1389 NZ LYS A 83 -14.133 -7.658 -5.174 1.00 0.00 N ATOM 0 H LYS A 83 -13.521 -12.138 0.570 1.00 0.00 H new ATOM 0 HA LYS A 83 -15.828 -12.411 -1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -14.279 -10.416 -0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.049 -11.334 -1.736 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.508 -11.489 -3.740 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -15.791 -10.646 -2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -14.272 -8.649 -2.620 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.022 -9.493 -3.512 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.585 -9.695 -5.477 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.802 -8.804 -4.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.578 -7.370 -6.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.290 -6.922 -4.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.111 -7.785 -5.321 1.00 0.00 H new ATOM 1403 N THR A 84 -13.238 -14.291 -1.832 1.00 0.00 N ATOM 1404 CA THR A 84 -12.837 -15.475 -2.597 1.00 0.00 C ATOM 1405 C THR A 84 -13.767 -16.655 -2.287 1.00 0.00 C ATOM 1406 O THR A 84 -14.403 -17.204 -3.187 1.00 0.00 O ATOM 1407 CB THR A 84 -11.392 -15.870 -2.247 1.00 0.00 C ATOM 1408 OG1 THR A 84 -10.553 -14.833 -2.709 1.00 0.00 O ATOM 1409 CG2 THR A 84 -10.841 -17.196 -2.762 1.00 0.00 C ATOM 0 H THR A 84 -12.560 -13.996 -1.129 1.00 0.00 H new ATOM 0 HA THR A 84 -12.903 -15.232 -3.657 1.00 0.00 H new ATOM 0 HB THR A 84 -11.412 -16.018 -1.167 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.243 -14.299 -1.948 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.812 -17.318 -2.425 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.448 -18.016 -2.378 1.00 0.00 H new ATOM 0 HG23 THR A 84 -10.869 -17.203 -3.852 1.00 0.00 H new ATOM 1417 N HIS A 85 -13.978 -16.917 -0.994 1.00 0.00 N ATOM 1418 CA HIS A 85 -14.890 -17.967 -0.547 1.00 0.00 C ATOM 1419 C HIS A 85 -16.335 -17.670 -0.992 1.00 0.00 C ATOM 1420 O HIS A 85 -17.076 -18.575 -1.360 1.00 0.00 O ATOM 1421 CB HIS A 85 -14.830 -18.078 0.973 1.00 0.00 C ATOM 1422 CG HIS A 85 -16.016 -18.791 1.546 1.00 0.00 C ATOM 1423 ND1 HIS A 85 -16.376 -20.101 1.321 1.00 0.00 N ATOM 1424 CD2 HIS A 85 -17.025 -18.176 2.228 1.00 0.00 C ATOM 1425 CE1 HIS A 85 -17.594 -20.271 1.858 1.00 0.00 C ATOM 1426 NE2 HIS A 85 -18.007 -19.132 2.432 1.00 0.00 N ATOM 0 H HIS A 85 -13.524 -16.410 -0.234 1.00 0.00 H new ATOM 0 HA HIS A 85 -14.582 -18.910 -0.999 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -13.920 -18.606 1.259 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.768 -17.079 1.404 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -17.053 -17.145 2.547 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -18.159 -21.191 1.832 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -18.887 -18.994 2.930 1.00 0.00 H new ATOM 1434 N THR A 86 -16.689 -16.389 -1.026 1.00 0.00 N ATOM 1435 CA THR A 86 -18.007 -15.951 -1.491 1.00 0.00 C ATOM 1436 C THR A 86 -18.296 -16.503 -2.895 1.00 0.00 C ATOM 1437 O THR A 86 -19.412 -16.961 -3.175 1.00 0.00 O ATOM 1438 CB THR A 86 -18.094 -14.412 -1.519 1.00 0.00 C ATOM 1439 OG1 THR A 86 -17.941 -13.910 -0.210 1.00 0.00 O ATOM 1440 CG2 THR A 86 -19.395 -13.813 -2.028 1.00 0.00 C ATOM 0 H THR A 86 -16.077 -15.627 -0.735 1.00 0.00 H new ATOM 0 HA THR A 86 -18.751 -16.337 -0.793 1.00 0.00 H new ATOM 0 HB THR A 86 -17.306 -14.129 -2.217 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.993 -13.928 0.039 1.00 0.00 H new ATOM 0 HG21 THR A 86 -19.331 -12.725 -1.998 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.569 -14.138 -3.054 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.220 -14.145 -1.397 1.00 0.00 H new ATOM 1448 N ARG A 87 -17.275 -16.488 -3.779 1.00 0.00 N ATOM 1449 CA ARG A 87 -17.440 -16.978 -5.159 1.00 0.00 C ATOM 1450 C ARG A 87 -17.804 -18.481 -5.181 1.00 0.00 C ATOM 1451 O ARG A 87 -18.473 -18.939 -6.103 1.00 0.00 O ATOM 1452 CB ARG A 87 -16.152 -16.743 -5.966 1.00 0.00 C ATOM 1453 CG ARG A 87 -15.926 -15.248 -6.251 1.00 0.00 C ATOM 1454 CD ARG A 87 -14.863 -14.995 -7.329 1.00 0.00 C ATOM 1455 NE ARG A 87 -13.518 -15.421 -6.915 1.00 0.00 N ATOM 1456 CZ ARG A 87 -12.647 -14.774 -6.154 1.00 0.00 C ATOM 1457 NH1 ARG A 87 -12.889 -13.597 -5.617 1.00 0.00 N ATOM 1458 NH2 ARG A 87 -11.497 -15.348 -5.898 1.00 0.00 N ATOM 0 H ARG A 87 -16.339 -16.145 -3.562 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.258 -16.420 -5.615 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -15.300 -17.142 -5.416 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -16.207 -17.289 -6.908 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -16.868 -14.798 -6.565 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -15.626 -14.750 -5.329 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -15.143 -15.525 -8.240 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -14.844 -13.932 -7.571 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.216 -16.333 -7.258 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -13.785 -13.137 -5.779 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -12.181 -13.145 -5.039 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.291 -16.270 -6.282 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.808 -14.872 -5.315 1.00 0.00 H new ATOM 1472 N THR A 88 -17.438 -19.215 -4.111 1.00 0.00 N ATOM 1473 CA THR A 88 -17.812 -20.645 -3.980 1.00 0.00 C ATOM 1474 C THR A 88 -19.328 -20.799 -3.757 1.00 0.00 C ATOM 1475 O THR A 88 -19.942 -21.723 -4.283 1.00 0.00 O ATOM 1476 CB THR A 88 -17.068 -21.326 -2.802 1.00 0.00 C ATOM 1477 OG1 THR A 88 -17.570 -20.994 -1.532 1.00 0.00 O ATOM 1478 CG2 THR A 88 -15.560 -21.088 -2.766 1.00 0.00 C ATOM 0 H THR A 88 -16.890 -18.850 -3.332 1.00 0.00 H new ATOM 0 HA THR A 88 -17.523 -21.130 -4.912 1.00 0.00 H new ATOM 0 HB THR A 88 -17.259 -22.378 -3.014 1.00 0.00 H new ATOM 0 HG1 THR A 88 -17.809 -20.044 -1.513 1.00 0.00 H new ATOM 0 HG21 THR A 88 -15.131 -21.604 -1.907 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.109 -21.470 -3.682 1.00 0.00 H new ATOM 0 HG23 THR A 88 -15.362 -20.019 -2.683 1.00 0.00 H new ATOM 1486 N HIS A 89 -19.937 -19.838 -3.037 1.00 0.00 N ATOM 1487 CA HIS A 89 -21.395 -19.824 -2.841 1.00 0.00 C ATOM 1488 C HIS A 89 -22.097 -19.175 -4.042 1.00 0.00 C ATOM 1489 O HIS A 89 -23.286 -19.386 -4.264 1.00 0.00 O ATOM 1490 CB HIS A 89 -21.750 -19.051 -1.556 1.00 0.00 C ATOM 1491 CG HIS A 89 -21.561 -19.842 -0.285 1.00 0.00 C ATOM 1492 ND1 HIS A 89 -22.036 -21.115 -0.044 1.00 0.00 N ATOM 1493 CD2 HIS A 89 -20.928 -19.414 0.850 1.00 0.00 C ATOM 1494 CE1 HIS A 89 -21.666 -21.454 1.204 1.00 0.00 C ATOM 1495 NE2 HIS A 89 -20.978 -20.457 1.773 1.00 0.00 N ATOM 0 H HIS A 89 -19.444 -19.067 -2.585 1.00 0.00 H new ATOM 0 HA HIS A 89 -21.737 -20.855 -2.749 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -21.136 -18.152 -1.505 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -22.788 -18.725 -1.617 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -20.473 -18.446 1.003 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -21.892 -22.397 1.679 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -20.567 -20.460 2.707 1.00 0.00 H new ATOM 1503 N THR A 90 -21.340 -18.385 -4.814 1.00 0.00 N ATOM 1504 CA THR A 90 -21.884 -17.667 -5.973 1.00 0.00 C ATOM 1505 C THR A 90 -21.736 -18.502 -7.268 1.00 0.00 C ATOM 1506 O THR A 90 -22.234 -18.116 -8.321 1.00 0.00 O ATOM 1507 CB THR A 90 -21.140 -16.325 -6.163 1.00 0.00 C ATOM 1508 OG1 THR A 90 -20.992 -15.656 -4.922 1.00 0.00 O ATOM 1509 CG2 THR A 90 -21.817 -15.315 -7.084 1.00 0.00 C ATOM 0 H THR A 90 -20.345 -18.227 -4.656 1.00 0.00 H new ATOM 0 HA THR A 90 -22.942 -17.488 -5.783 1.00 0.00 H new ATOM 0 HB THR A 90 -20.197 -16.631 -6.616 1.00 0.00 H new ATOM 0 HG1 THR A 90 -20.301 -16.103 -4.390 1.00 0.00 H new ATOM 0 HG21 THR A 90 -21.209 -14.412 -7.144 1.00 0.00 H new ATOM 0 HG22 THR A 90 -21.926 -15.746 -8.079 1.00 0.00 H new ATOM 0 HG23 THR A 90 -22.801 -15.064 -6.688 1.00 0.00 H new ATOM 1517 N GLY A 91 -21.042 -19.654 -7.170 1.00 0.00 N ATOM 1518 CA GLY A 91 -20.753 -20.480 -8.359 1.00 0.00 C ATOM 1519 C GLY A 91 -19.880 -19.735 -9.394 1.00 0.00 C ATOM 1520 O GLY A 91 -19.805 -20.135 -10.556 1.00 0.00 O ATOM 0 H GLY A 91 -20.676 -20.029 -6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -20.245 -21.393 -8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -21.691 -20.780 -8.827 1.00 0.00 H new ATOM 1524 N GLU A 92 -19.244 -18.640 -8.959 1.00 0.00 N ATOM 1525 CA GLU A 92 -18.504 -17.757 -9.857 1.00 0.00 C ATOM 1526 C GLU A 92 -17.088 -18.299 -10.117 1.00 0.00 C ATOM 1527 O GLU A 92 -16.220 -18.238 -9.245 1.00 0.00 O ATOM 1528 CB GLU A 92 -18.428 -16.342 -9.242 1.00 0.00 C ATOM 1529 CG GLU A 92 -17.673 -15.267 -10.036 1.00 0.00 C ATOM 1530 CD GLU A 92 -18.155 -15.146 -11.484 1.00 0.00 C ATOM 1531 OE1 GLU A 92 -17.696 -15.973 -12.306 1.00 0.00 O ATOM 1532 OE2 GLU A 92 -18.979 -14.244 -11.744 1.00 0.00 O ATOM 0 H GLU A 92 -19.230 -18.346 -7.982 1.00 0.00 H new ATOM 0 HA GLU A 92 -19.028 -17.711 -10.812 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -19.447 -15.989 -9.082 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -17.961 -16.426 -8.260 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -17.791 -14.305 -9.538 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -16.608 -15.500 -10.031 1.00 0.00 H new ATOM 1539 N LYS A 93 -16.861 -18.806 -11.341 1.00 0.00 N ATOM 1540 CA LYS A 93 -15.544 -19.329 -11.748 1.00 0.00 C ATOM 1541 C LYS A 93 -15.051 -18.609 -13.022 1.00 0.00 C ATOM 1542 O LYS A 93 -15.230 -19.108 -14.133 1.00 0.00 O ATOM 1543 CB LYS A 93 -15.638 -20.846 -12.006 1.00 0.00 C ATOM 1544 CG LYS A 93 -15.919 -21.646 -10.723 1.00 0.00 C ATOM 1545 CD LYS A 93 -16.212 -23.132 -10.986 1.00 0.00 C ATOM 1546 CE LYS A 93 -17.497 -23.381 -11.787 1.00 0.00 C ATOM 1547 NZ LYS A 93 -18.706 -22.920 -11.072 1.00 0.00 N ATOM 0 H LYS A 93 -17.574 -18.865 -12.068 1.00 0.00 H new ATOM 0 HA LYS A 93 -14.831 -19.146 -10.944 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -16.428 -21.039 -12.731 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.706 -21.194 -12.450 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.060 -21.564 -10.057 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -16.768 -21.201 -10.204 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -15.370 -23.568 -11.524 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -16.284 -23.652 -10.031 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -17.428 -22.869 -12.747 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.588 -24.446 -12.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -19.553 -23.301 -11.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -18.675 -23.253 -10.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -18.742 -21.881 -11.085 1.00 0.00 H new ATOM 1561 N PRO A 94 -14.477 -17.396 -12.869 1.00 0.00 N ATOM 1562 CA PRO A 94 -14.080 -16.566 -13.996 1.00 0.00 C ATOM 1563 C PRO A 94 -12.697 -16.942 -14.559 1.00 0.00 C ATOM 1564 O PRO A 94 -12.401 -16.659 -15.721 1.00 0.00 O ATOM 1565 CB PRO A 94 -14.059 -15.149 -13.411 1.00 0.00 C ATOM 1566 CG PRO A 94 -13.647 -15.360 -11.952 1.00 0.00 C ATOM 1567 CD PRO A 94 -14.267 -16.713 -11.601 1.00 0.00 C ATOM 0 HA PRO A 94 -14.761 -16.683 -14.839 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.351 -14.510 -13.938 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -15.036 -14.671 -13.485 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.563 -15.373 -11.838 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -14.025 -14.566 -11.309 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.607 -17.289 -10.952 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -15.208 -16.585 -11.066 1.00 0.00 H new ATOM 1575 N PHE A 95 -11.853 -17.587 -13.730 1.00 0.00 N ATOM 1576 CA PHE A 95 -10.486 -17.941 -14.143 1.00 0.00 C ATOM 1577 C PHE A 95 -10.501 -19.158 -15.087 1.00 0.00 C ATOM 1578 O PHE A 95 -10.196 -20.278 -14.681 1.00 0.00 O ATOM 1579 CB PHE A 95 -9.618 -18.239 -12.912 1.00 0.00 C ATOM 1580 CG PHE A 95 -9.468 -17.067 -11.969 1.00 0.00 C ATOM 1581 CD1 PHE A 95 -8.582 -16.015 -12.272 1.00 0.00 C ATOM 1582 CD2 PHE A 95 -10.230 -17.022 -10.791 1.00 0.00 C ATOM 1583 CE1 PHE A 95 -8.457 -14.924 -11.393 1.00 0.00 C ATOM 1584 CE2 PHE A 95 -10.106 -15.932 -9.910 1.00 0.00 C ATOM 1585 CZ PHE A 95 -9.219 -14.883 -10.211 1.00 0.00 C ATOM 0 H PHE A 95 -12.093 -17.870 -12.780 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.060 -17.093 -14.679 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -10.053 -19.077 -12.368 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.629 -18.554 -13.245 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.998 -16.046 -13.180 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.913 -17.826 -10.560 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.776 -14.118 -11.625 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -10.692 -15.901 -9.003 1.00 0.00 H new ATOM 0 HZ PHE A 95 -9.123 -14.046 -9.535 1.00 0.00 H new ATOM 1595 N SER A 96 -10.864 -18.915 -16.348 1.00 0.00 N ATOM 1596 CA SER A 96 -10.892 -19.964 -17.374 1.00 0.00 C ATOM 1597 C SER A 96 -9.499 -20.177 -17.963 1.00 0.00 C ATOM 1598 O SER A 96 -8.756 -19.217 -18.183 1.00 0.00 O ATOM 1599 CB SER A 96 -11.860 -19.567 -18.494 1.00 0.00 C ATOM 1600 OG SER A 96 -13.136 -19.222 -17.983 1.00 0.00 O ATOM 0 H SER A 96 -11.145 -17.995 -16.687 1.00 0.00 H new ATOM 0 HA SER A 96 -11.225 -20.892 -16.910 1.00 0.00 H new ATOM 0 HB2 SER A 96 -11.449 -18.723 -19.049 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.961 -20.393 -19.198 1.00 0.00 H new ATOM 0 HG SER A 96 -13.728 -18.972 -18.723 1.00 0.00 H new ATOM 1606 N CYS A 97 -9.164 -21.437 -18.253 1.00 0.00 N ATOM 1607 CA CYS A 97 -7.868 -21.775 -18.834 1.00 0.00 C ATOM 1608 C CYS A 97 -7.775 -21.290 -20.289 1.00 0.00 C ATOM 1609 O CYS A 97 -8.791 -20.999 -20.932 1.00 0.00 O ATOM 1610 CB CYS A 97 -7.652 -23.288 -18.777 1.00 0.00 C ATOM 1611 SG CYS A 97 -5.954 -23.764 -19.174 1.00 0.00 S ATOM 0 H CYS A 97 -9.775 -22.238 -18.094 1.00 0.00 H new ATOM 0 HA CYS A 97 -7.092 -21.275 -18.255 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -7.903 -23.650 -17.780 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -8.334 -23.775 -19.474 1.00 0.00 H new ATOM 0 HG CYS A 97 -5.203 -23.609 -18.124 1.00 0.00 H new ATOM 1616 N ARG A 98 -6.536 -21.173 -20.782 1.00 0.00 N ATOM 1617 CA ARG A 98 -6.262 -20.643 -22.131 1.00 0.00 C ATOM 1618 C ARG A 98 -5.516 -21.682 -22.989 1.00 0.00 C ATOM 1619 O ARG A 98 -5.078 -21.379 -24.098 1.00 0.00 O ATOM 1620 CB ARG A 98 -5.413 -19.356 -22.023 1.00 0.00 C ATOM 1621 CG ARG A 98 -5.947 -18.217 -21.128 1.00 0.00 C ATOM 1622 CD ARG A 98 -7.171 -17.472 -21.681 1.00 0.00 C ATOM 1623 NE ARG A 98 -8.384 -18.289 -21.582 1.00 0.00 N ATOM 1624 CZ ARG A 98 -9.638 -17.963 -21.845 1.00 0.00 C ATOM 1625 NH1 ARG A 98 -9.993 -16.763 -22.256 1.00 0.00 N ATOM 1626 NH2 ARG A 98 -10.559 -18.884 -21.697 1.00 0.00 N ATOM 0 H ARG A 98 -5.698 -21.440 -20.265 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.214 -20.417 -22.611 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.425 -19.636 -21.656 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.279 -18.957 -23.029 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.204 -18.632 -20.153 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.145 -17.497 -20.967 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.311 -16.541 -21.131 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.995 -17.203 -22.723 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.240 -19.247 -21.264 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.287 -16.038 -22.384 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.974 -16.559 -22.446 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.299 -19.820 -21.387 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.536 -18.664 -21.892 1.00 0.00 H new ATOM 1640 N TRP A 99 -5.362 -22.902 -22.453 1.00 0.00 N ATOM 1641 CA TRP A 99 -4.669 -23.980 -23.161 1.00 0.00 C ATOM 1642 C TRP A 99 -5.495 -24.451 -24.390 1.00 0.00 C ATOM 1643 O TRP A 99 -6.682 -24.137 -24.507 1.00 0.00 O ATOM 1644 CB TRP A 99 -4.430 -25.153 -22.201 1.00 0.00 C ATOM 1645 CG TRP A 99 -3.182 -25.001 -21.375 1.00 0.00 C ATOM 1646 CD1 TRP A 99 -2.957 -24.019 -20.471 1.00 0.00 C ATOM 1647 CD2 TRP A 99 -1.968 -25.818 -21.374 1.00 0.00 C ATOM 1648 NE1 TRP A 99 -1.718 -24.184 -19.890 1.00 0.00 N ATOM 1649 CE2 TRP A 99 -1.059 -25.271 -20.418 1.00 0.00 C ATOM 1650 CE3 TRP A 99 -1.539 -26.967 -22.076 1.00 0.00 C ATOM 1651 CZ2 TRP A 99 0.211 -25.821 -20.183 1.00 0.00 C ATOM 1652 CZ3 TRP A 99 -0.268 -27.531 -21.846 1.00 0.00 C ATOM 1653 CH2 TRP A 99 0.608 -26.959 -20.907 1.00 0.00 C ATOM 0 H TRP A 99 -5.710 -23.163 -21.530 1.00 0.00 H new ATOM 0 HA TRP A 99 -3.710 -23.606 -23.520 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -5.288 -25.250 -21.536 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -4.367 -26.077 -22.776 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -3.648 -23.222 -20.239 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.338 -23.578 -19.162 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -2.197 -27.421 -22.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 0.874 -25.376 -19.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 0.035 -28.410 -22.396 1.00 0.00 H new ATOM 0 HH2 TRP A 99 1.583 -27.393 -20.742 1.00 0.00 H new ATOM 1664 N PRO A 100 -4.844 -25.172 -25.340 1.00 0.00 N ATOM 1665 CA PRO A 100 -5.467 -25.576 -26.606 1.00 0.00 C ATOM 1666 C PRO A 100 -6.867 -26.201 -26.422 1.00 0.00 C ATOM 1667 O PRO A 100 -6.996 -27.347 -25.997 1.00 0.00 O ATOM 1668 CB PRO A 100 -4.477 -26.600 -27.184 1.00 0.00 C ATOM 1669 CG PRO A 100 -3.127 -26.064 -26.703 1.00 0.00 C ATOM 1670 CD PRO A 100 -3.436 -25.550 -25.297 1.00 0.00 C ATOM 0 HA PRO A 100 -5.641 -24.720 -27.258 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.670 -27.606 -26.812 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.531 -26.647 -28.272 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.366 -26.844 -26.688 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.756 -25.269 -27.350 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -3.256 -26.319 -24.546 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.806 -24.699 -25.039 1.00 0.00 H new ATOM 1678 N SER A 101 -7.908 -25.427 -26.788 1.00 0.00 N ATOM 1679 CA SER A 101 -9.313 -25.898 -26.756 1.00 0.00 C ATOM 1680 C SER A 101 -9.770 -26.276 -25.320 1.00 0.00 C ATOM 1681 O SER A 101 -10.768 -26.987 -25.152 1.00 0.00 O ATOM 1682 CB SER A 101 -9.485 -27.112 -27.691 1.00 0.00 C ATOM 1683 OG SER A 101 -10.852 -27.459 -27.737 1.00 0.00 O ATOM 0 H SER A 101 -7.804 -24.465 -27.112 1.00 0.00 H new ATOM 0 HA SER A 101 -9.940 -25.074 -27.098 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.122 -26.873 -28.691 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.894 -27.954 -27.330 1.00 0.00 H new ATOM 0 HG SER A 101 -11.235 -27.398 -26.837 1.00 0.00 H new ATOM 1689 N CYS A 102 -9.072 -25.756 -24.299 1.00 0.00 N ATOM 1690 CA CYS A 102 -9.462 -25.981 -22.906 1.00 0.00 C ATOM 1691 C CYS A 102 -10.713 -25.152 -22.548 1.00 0.00 C ATOM 1692 O CYS A 102 -10.987 -24.113 -23.163 1.00 0.00 O ATOM 1693 CB CYS A 102 -8.308 -25.611 -21.968 1.00 0.00 C ATOM 1694 SG CYS A 102 -8.771 -26.129 -20.286 1.00 0.00 S ATOM 0 H CYS A 102 -8.238 -25.180 -24.415 1.00 0.00 H new ATOM 0 HA CYS A 102 -9.698 -27.038 -22.784 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -7.388 -26.105 -22.280 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -8.119 -24.538 -21.999 1.00 0.00 H new ATOM 0 HG CYS A 102 -7.740 -26.657 -19.695 1.00 0.00 H new ATOM 1699 N GLN A 103 -11.447 -25.613 -21.530 1.00 0.00 N ATOM 1700 CA GLN A 103 -12.632 -24.909 -21.029 1.00 0.00 C ATOM 1701 C GLN A 103 -12.788 -25.111 -19.505 1.00 0.00 C ATOM 1702 O GLN A 103 -13.877 -24.931 -18.958 1.00 0.00 O ATOM 1703 CB GLN A 103 -13.900 -25.425 -21.759 1.00 0.00 C ATOM 1704 CG GLN A 103 -14.122 -24.819 -23.151 1.00 0.00 C ATOM 1705 CD GLN A 103 -14.291 -23.300 -23.090 1.00 0.00 C ATOM 1706 OE1 GLN A 103 -15.348 -22.777 -22.770 1.00 0.00 O ATOM 1707 NE2 GLN A 103 -13.233 -22.549 -23.325 1.00 0.00 N ATOM 0 H GLN A 103 -11.238 -26.479 -21.033 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.508 -23.844 -21.226 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -13.833 -26.509 -21.855 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -14.772 -25.213 -21.141 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.276 -25.065 -23.793 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -15.007 -25.265 -23.604 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -12.349 -22.982 -23.592 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -13.298 -21.535 -23.239 1.00 0.00 H new ATOM 1716 N LYS A 104 -11.679 -25.438 -18.819 1.00 0.00 N ATOM 1717 CA LYS A 104 -11.693 -25.579 -17.360 1.00 0.00 C ATOM 1718 C LYS A 104 -11.674 -24.207 -16.707 1.00 0.00 C ATOM 1719 O LYS A 104 -10.917 -23.326 -17.116 1.00 0.00 O ATOM 1720 CB LYS A 104 -10.477 -26.399 -16.890 1.00 0.00 C ATOM 1721 CG LYS A 104 -10.656 -27.921 -17.063 1.00 0.00 C ATOM 1722 CD LYS A 104 -10.259 -28.421 -18.454 1.00 0.00 C ATOM 1723 CE LYS A 104 -10.461 -29.927 -18.607 1.00 0.00 C ATOM 1724 NZ LYS A 104 -10.040 -30.361 -19.955 1.00 0.00 N ATOM 0 H LYS A 104 -10.771 -25.608 -19.251 1.00 0.00 H new ATOM 0 HA LYS A 104 -12.603 -26.102 -17.068 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -9.596 -26.079 -17.447 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.286 -26.181 -15.839 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.057 -28.438 -16.314 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -11.697 -28.182 -16.874 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.849 -27.899 -19.207 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -9.214 -28.176 -18.641 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -9.885 -30.458 -17.849 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.509 -30.180 -18.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -10.181 -31.387 -20.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -10.608 -29.866 -20.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -9.034 -30.136 -20.094 1.00 0.00 H new ATOM 1738 N LYS A 105 -12.560 -24.007 -15.724 1.00 0.00 N ATOM 1739 CA LYS A 105 -12.744 -22.693 -15.101 1.00 0.00 C ATOM 1740 C LYS A 105 -12.651 -22.796 -13.589 1.00 0.00 C ATOM 1741 O LYS A 105 -13.183 -23.728 -12.986 1.00 0.00 O ATOM 1742 CB LYS A 105 -14.113 -22.106 -15.501 1.00 0.00 C ATOM 1743 CG LYS A 105 -14.357 -22.190 -17.018 1.00 0.00 C ATOM 1744 CD LYS A 105 -15.558 -21.372 -17.507 1.00 0.00 C ATOM 1745 CE LYS A 105 -15.559 -21.290 -19.042 1.00 0.00 C ATOM 1746 NZ LYS A 105 -15.738 -22.612 -19.684 1.00 0.00 N ATOM 0 H LYS A 105 -13.160 -24.739 -15.344 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.951 -22.033 -15.453 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -14.904 -22.642 -14.977 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.168 -21.065 -15.182 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.462 -21.848 -17.538 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.506 -23.234 -17.294 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -16.484 -21.830 -17.160 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.520 -20.369 -17.083 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -16.357 -20.622 -19.366 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.620 -20.851 -19.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.663 -22.510 -20.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.002 -23.264 -19.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.675 -22.992 -19.441 1.00 0.00 H new ATOM 1760 N PHE A 106 -11.965 -21.829 -12.980 1.00 0.00 N ATOM 1761 CA PHE A 106 -11.726 -21.829 -11.533 1.00 0.00 C ATOM 1762 C PHE A 106 -12.194 -20.522 -10.907 1.00 0.00 C ATOM 1763 O PHE A 106 -12.393 -19.523 -11.602 1.00 0.00 O ATOM 1764 CB PHE A 106 -10.229 -22.033 -11.259 1.00 0.00 C ATOM 1765 CG PHE A 106 -9.745 -23.341 -11.852 1.00 0.00 C ATOM 1766 CD1 PHE A 106 -9.930 -24.542 -11.143 1.00 0.00 C ATOM 1767 CD2 PHE A 106 -9.259 -23.372 -13.172 1.00 0.00 C ATOM 1768 CE1 PHE A 106 -9.656 -25.774 -11.763 1.00 0.00 C ATOM 1769 CE2 PHE A 106 -9.002 -24.602 -13.799 1.00 0.00 C ATOM 1770 CZ PHE A 106 -9.212 -25.802 -13.097 1.00 0.00 C ATOM 0 H PHE A 106 -11.562 -21.030 -13.468 1.00 0.00 H new ATOM 0 HA PHE A 106 -12.294 -22.645 -11.086 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.661 -21.205 -11.683 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.048 -22.027 -10.184 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.282 -24.518 -10.122 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.083 -22.449 -13.704 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -9.786 -26.696 -11.216 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -8.644 -24.626 -14.818 1.00 0.00 H new ATOM 0 HZ PHE A 106 -9.032 -26.749 -13.584 1.00 0.00 H new ATOM 1780 N ALA A 107 -12.371 -20.531 -9.582 1.00 0.00 N ATOM 1781 CA ALA A 107 -12.815 -19.347 -8.852 1.00 0.00 C ATOM 1782 C ALA A 107 -11.632 -18.652 -8.158 1.00 0.00 C ATOM 1783 O ALA A 107 -11.814 -17.645 -7.476 1.00 0.00 O ATOM 1784 CB ALA A 107 -13.869 -19.750 -7.813 1.00 0.00 C ATOM 0 H ALA A 107 -12.212 -21.350 -8.995 1.00 0.00 H new ATOM 0 HA ALA A 107 -13.251 -18.645 -9.562 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.200 -18.866 -7.268 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.721 -20.206 -8.317 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.436 -20.465 -7.114 1.00 0.00 H new ATOM 1790 N ARG A 108 -10.418 -19.189 -8.354 1.00 0.00 N ATOM 1791 CA ARG A 108 -9.211 -18.608 -7.775 1.00 0.00 C ATOM 1792 C ARG A 108 -8.077 -18.573 -8.816 1.00 0.00 C ATOM 1793 O ARG A 108 -7.855 -19.543 -9.551 1.00 0.00 O ATOM 1794 CB ARG A 108 -8.772 -19.422 -6.537 1.00 0.00 C ATOM 1795 CG ARG A 108 -9.921 -19.881 -5.606 1.00 0.00 C ATOM 1796 CD ARG A 108 -9.457 -20.762 -4.438 1.00 0.00 C ATOM 1797 NE ARG A 108 -8.699 -20.000 -3.446 1.00 0.00 N ATOM 1798 CZ ARG A 108 -7.594 -20.352 -2.798 1.00 0.00 C ATOM 1799 NH1 ARG A 108 -6.990 -21.506 -2.924 1.00 0.00 N ATOM 1800 NH2 ARG A 108 -7.101 -19.457 -1.988 1.00 0.00 N ATOM 0 H ARG A 108 -10.253 -20.027 -8.912 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.430 -17.586 -7.467 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.227 -20.303 -6.876 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -8.074 -18.820 -5.956 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -10.426 -19.001 -5.207 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.655 -20.431 -6.194 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.324 -21.217 -3.960 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -8.840 -21.575 -4.820 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.068 -19.076 -3.222 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.366 -22.212 -3.557 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.143 -21.699 -2.389 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.563 -18.553 -1.884 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -6.254 -19.660 -1.458 1.00 0.00 H new ATOM 1814 N SER A 109 -7.383 -17.438 -8.885 1.00 0.00 N ATOM 1815 CA SER A 109 -6.303 -17.245 -9.853 1.00 0.00 C ATOM 1816 C SER A 109 -5.221 -18.321 -9.688 1.00 0.00 C ATOM 1817 O SER A 109 -4.770 -18.911 -10.663 1.00 0.00 O ATOM 1818 CB SER A 109 -5.682 -15.846 -9.670 1.00 0.00 C ATOM 1819 OG SER A 109 -5.528 -15.522 -8.301 1.00 0.00 O ATOM 0 H SER A 109 -7.550 -16.634 -8.279 1.00 0.00 H new ATOM 0 HA SER A 109 -6.721 -17.329 -10.856 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.711 -15.810 -10.165 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.314 -15.100 -10.153 1.00 0.00 H new ATOM 0 HG SER A 109 -5.130 -14.630 -8.219 1.00 0.00 H new ATOM 1825 N ASP A 110 -4.862 -18.613 -8.434 1.00 0.00 N ATOM 1826 CA ASP A 110 -3.865 -19.642 -8.126 1.00 0.00 C ATOM 1827 C ASP A 110 -4.380 -21.062 -8.487 1.00 0.00 C ATOM 1828 O ASP A 110 -3.601 -21.916 -8.891 1.00 0.00 O ATOM 1829 CB ASP A 110 -3.482 -19.581 -6.649 1.00 0.00 C ATOM 1830 CG ASP A 110 -4.594 -19.887 -5.648 1.00 0.00 C ATOM 1831 OD1 ASP A 110 -5.731 -19.418 -5.868 1.00 0.00 O ATOM 1832 OD2 ASP A 110 -4.262 -20.551 -4.644 1.00 0.00 O ATOM 0 H ASP A 110 -5.249 -18.149 -7.613 1.00 0.00 H new ATOM 0 HA ASP A 110 -2.983 -19.442 -8.734 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.665 -20.283 -6.478 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.096 -18.584 -6.437 1.00 0.00 H new ATOM 1837 N GLU A 111 -5.699 -21.301 -8.342 1.00 0.00 N ATOM 1838 CA GLU A 111 -6.297 -22.585 -8.771 1.00 0.00 C ATOM 1839 C GLU A 111 -6.088 -22.788 -10.268 1.00 0.00 C ATOM 1840 O GLU A 111 -5.716 -23.879 -10.705 1.00 0.00 O ATOM 1841 CB GLU A 111 -7.806 -22.618 -8.464 1.00 0.00 C ATOM 1842 CG GLU A 111 -8.192 -23.145 -7.084 1.00 0.00 C ATOM 1843 CD GLU A 111 -9.716 -23.118 -6.852 1.00 0.00 C ATOM 1844 OE1 GLU A 111 -10.462 -22.563 -7.698 1.00 0.00 O ATOM 1845 OE2 GLU A 111 -10.124 -23.628 -5.786 1.00 0.00 O ATOM 0 H GLU A 111 -6.361 -20.637 -7.940 1.00 0.00 H new ATOM 0 HA GLU A 111 -5.805 -23.385 -8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.201 -21.608 -8.570 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.298 -23.233 -9.218 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.828 -24.166 -6.973 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.700 -22.546 -6.318 1.00 0.00 H new ATOM 1852 N LEU A 112 -6.267 -21.713 -11.051 1.00 0.00 N ATOM 1853 CA LEU A 112 -5.991 -21.761 -12.487 1.00 0.00 C ATOM 1854 C LEU A 112 -4.475 -21.968 -12.752 1.00 0.00 C ATOM 1855 O LEU A 112 -4.095 -22.773 -13.601 1.00 0.00 O ATOM 1856 CB LEU A 112 -6.476 -20.472 -13.168 1.00 0.00 C ATOM 1857 CG LEU A 112 -6.173 -20.466 -14.680 1.00 0.00 C ATOM 1858 CD1 LEU A 112 -6.858 -21.624 -15.409 1.00 0.00 C ATOM 1859 CD2 LEU A 112 -6.607 -19.156 -15.336 1.00 0.00 C ATOM 0 H LEU A 112 -6.599 -20.809 -10.714 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.532 -22.608 -12.909 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.549 -20.362 -13.013 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.997 -19.612 -12.699 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.092 -20.579 -14.767 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.616 -21.579 -16.471 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.509 -22.571 -14.997 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.938 -21.548 -15.279 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.377 -19.189 -16.401 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.680 -19.019 -15.200 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.074 -18.324 -14.875 1.00 0.00 H new ATOM 1871 N VAL A 113 -3.620 -21.277 -11.975 1.00 0.00 N ATOM 1872 CA VAL A 113 -2.152 -21.468 -12.074 1.00 0.00 C ATOM 1873 C VAL A 113 -1.789 -22.937 -11.807 1.00 0.00 C ATOM 1874 O VAL A 113 -0.982 -23.527 -12.529 1.00 0.00 O ATOM 1875 CB VAL A 113 -1.416 -20.557 -11.053 1.00 0.00 C ATOM 1876 CG1 VAL A 113 0.094 -20.845 -10.990 1.00 0.00 C ATOM 1877 CG2 VAL A 113 -1.558 -19.060 -11.353 1.00 0.00 C ATOM 0 H VAL A 113 -3.910 -20.590 -11.280 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.838 -21.197 -13.082 1.00 0.00 H new ATOM 0 HB VAL A 113 -1.900 -20.794 -10.106 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.561 -20.182 -10.262 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.255 -21.881 -10.692 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.538 -20.676 -11.971 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -1.019 -18.485 -10.600 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.144 -18.845 -12.338 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -2.612 -18.784 -11.335 1.00 0.00 H new ATOM 1887 N ARG A 114 -2.432 -23.532 -10.794 1.00 0.00 N ATOM 1888 CA ARG A 114 -2.228 -24.946 -10.475 1.00 0.00 C ATOM 1889 C ARG A 114 -2.700 -25.830 -11.640 1.00 0.00 C ATOM 1890 O ARG A 114 -1.949 -26.672 -12.120 1.00 0.00 O ATOM 1891 CB ARG A 114 -2.991 -25.316 -9.190 1.00 0.00 C ATOM 1892 CG ARG A 114 -2.745 -26.781 -8.788 1.00 0.00 C ATOM 1893 CD ARG A 114 -3.385 -27.136 -7.443 1.00 0.00 C ATOM 1894 NE ARG A 114 -2.658 -26.520 -6.323 1.00 0.00 N ATOM 1895 CZ ARG A 114 -2.959 -26.630 -5.034 1.00 0.00 C ATOM 1896 NH1 ARG A 114 -4.013 -27.292 -4.612 1.00 0.00 N ATOM 1897 NH2 ARG A 114 -2.187 -26.054 -4.144 1.00 0.00 N ATOM 0 H ARG A 114 -3.096 -23.055 -10.184 1.00 0.00 H new ATOM 0 HA ARG A 114 -1.163 -25.116 -10.315 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.679 -24.658 -8.379 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -4.058 -25.153 -9.340 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -3.144 -27.438 -9.561 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -1.672 -26.965 -8.736 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -4.423 -26.802 -7.433 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -3.397 -28.219 -7.319 1.00 0.00 H new ATOM 0 HE ARG A 114 -1.843 -25.953 -6.559 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.634 -27.744 -5.283 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -4.210 -27.354 -3.613 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.366 -25.529 -4.445 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -2.408 -26.131 -3.151 1.00 0.00 H new ATOM 1911 N HIS A 115 -3.904 -25.543 -12.166 1.00 0.00 N ATOM 1912 CA HIS A 115 -4.449 -26.297 -13.306 1.00 0.00 C ATOM 1913 C HIS A 115 -3.466 -26.298 -14.475 1.00 0.00 C ATOM 1914 O HIS A 115 -3.128 -27.354 -15.005 1.00 0.00 O ATOM 1915 CB HIS A 115 -5.785 -25.687 -13.754 1.00 0.00 C ATOM 1916 CG HIS A 115 -6.326 -26.296 -15.032 1.00 0.00 C ATOM 1917 ND1 HIS A 115 -6.897 -27.544 -15.152 1.00 0.00 N ATOM 1918 CD2 HIS A 115 -6.310 -25.727 -16.283 1.00 0.00 C ATOM 1919 CE1 HIS A 115 -7.222 -27.712 -16.447 1.00 0.00 C ATOM 1920 NE2 HIS A 115 -6.906 -26.626 -17.159 1.00 0.00 N ATOM 0 H HIS A 115 -4.513 -24.800 -11.822 1.00 0.00 H new ATOM 0 HA HIS A 115 -4.612 -27.326 -12.986 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -6.520 -25.816 -12.959 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -5.656 -24.614 -13.898 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -7.046 -28.216 -14.399 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -5.908 -24.758 -16.539 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -7.676 -28.603 -16.855 1.00 0.00 H new ATOM 1928 N HIS A 116 -2.950 -25.113 -14.824 1.00 0.00 N ATOM 1929 CA HIS A 116 -1.958 -24.985 -15.893 1.00 0.00 C ATOM 1930 C HIS A 116 -0.717 -25.873 -15.608 1.00 0.00 C ATOM 1931 O HIS A 116 -0.204 -26.536 -16.508 1.00 0.00 O ATOM 1932 CB HIS A 116 -1.520 -23.520 -16.032 1.00 0.00 C ATOM 1933 CG HIS A 116 -2.535 -22.525 -16.556 1.00 0.00 C ATOM 1934 ND1 HIS A 116 -3.621 -22.737 -17.386 1.00 0.00 N ATOM 1935 CD2 HIS A 116 -2.424 -21.170 -16.381 1.00 0.00 C ATOM 1936 CE1 HIS A 116 -4.136 -21.535 -17.691 1.00 0.00 C ATOM 1937 NE2 HIS A 116 -3.440 -20.549 -17.107 1.00 0.00 N ATOM 0 H HIS A 116 -3.204 -24.231 -14.380 1.00 0.00 H new ATOM 0 HA HIS A 116 -2.418 -25.318 -16.823 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -1.188 -23.175 -15.053 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -0.652 -23.491 -16.691 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -1.677 -20.669 -15.783 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -4.998 -21.382 -18.324 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -3.618 -19.547 -17.179 1.00 0.00 H new ATOM 1945 N ASN A 117 -0.289 -25.927 -14.333 1.00 0.00 N ATOM 1946 CA ASN A 117 0.903 -26.705 -13.947 1.00 0.00 C ATOM 1947 C ASN A 117 0.624 -28.225 -14.013 1.00 0.00 C ATOM 1948 O ASN A 117 1.554 -29.028 -14.046 1.00 0.00 O ATOM 1949 CB ASN A 117 1.349 -26.317 -12.523 1.00 0.00 C ATOM 1950 CG ASN A 117 2.266 -25.103 -12.534 1.00 0.00 C ATOM 1951 OD1 ASN A 117 3.479 -25.218 -12.488 1.00 0.00 O ATOM 1952 ND2 ASN A 117 1.729 -23.905 -12.600 1.00 0.00 N ATOM 0 H ASN A 117 -0.746 -25.446 -13.559 1.00 0.00 H new ATOM 0 HA ASN A 117 1.700 -26.473 -14.653 1.00 0.00 H new ATOM 0 HB2 ASN A 117 0.472 -26.105 -11.911 1.00 0.00 H new ATOM 0 HB3 ASN A 117 1.864 -27.159 -12.061 1.00 0.00 H new ATOM 0 HD21 ASN A 117 2.326 -23.078 -12.613 1.00 0.00 H new ATOM 0 HD22 ASN A 117 0.715 -23.802 -12.639 1.00 0.00 H new ATOM 1959 N MET A 118 -0.663 -28.601 -14.074 1.00 0.00 N ATOM 1960 CA MET A 118 -1.062 -30.006 -14.213 1.00 0.00 C ATOM 1961 C MET A 118 -1.585 -30.295 -15.640 1.00 0.00 C ATOM 1962 O MET A 118 -2.063 -31.393 -15.918 1.00 0.00 O ATOM 1963 CB MET A 118 -2.159 -30.341 -13.185 1.00 0.00 C ATOM 1964 CG MET A 118 -1.703 -30.128 -11.735 1.00 0.00 C ATOM 1965 SD MET A 118 -2.862 -30.694 -10.452 1.00 0.00 S ATOM 1966 CE MET A 118 -4.377 -29.812 -10.912 1.00 0.00 C ATOM 0 H MET A 118 -1.445 -27.948 -14.029 1.00 0.00 H new ATOM 0 HA MET A 118 -0.186 -30.629 -14.033 1.00 0.00 H new ATOM 0 HB2 MET A 118 -3.034 -29.721 -13.380 1.00 0.00 H new ATOM 0 HB3 MET A 118 -2.467 -31.378 -13.315 1.00 0.00 H new ATOM 0 HG2 MET A 118 -0.753 -30.643 -11.593 1.00 0.00 H new ATOM 0 HG3 MET A 118 -1.515 -29.065 -11.585 1.00 0.00 H new ATOM 0 HE1 MET A 118 -5.063 -29.800 -10.065 1.00 0.00 H new ATOM 0 HE2 MET A 118 -4.131 -28.788 -11.194 1.00 0.00 H new ATOM 0 HE3 MET A 118 -4.850 -30.317 -11.754 1.00 0.00 H new ATOM 1976 N HIS A 119 -1.530 -29.283 -16.522 1.00 0.00 N ATOM 1977 CA HIS A 119 -2.143 -29.382 -17.843 1.00 0.00 C ATOM 1978 C HIS A 119 -1.347 -30.327 -18.749 1.00 0.00 C ATOM 1979 O HIS A 119 -1.769 -30.632 -19.869 1.00 0.00 O ATOM 1980 CB HIS A 119 -2.222 -27.994 -18.482 1.00 0.00 C ATOM 1981 CG HIS A 119 -3.465 -27.837 -19.300 1.00 0.00 C ATOM 1982 ND1 HIS A 119 -3.882 -28.683 -20.299 1.00 0.00 N ATOM 1983 CD2 HIS A 119 -4.470 -26.951 -19.041 1.00 0.00 C ATOM 1984 CE1 HIS A 119 -5.136 -28.315 -20.620 1.00 0.00 C ATOM 1985 NE2 HIS A 119 -5.536 -27.289 -19.871 1.00 0.00 N ATOM 0 H HIS A 119 -1.067 -28.393 -16.338 1.00 0.00 H new ATOM 0 HA HIS A 119 -3.148 -29.787 -17.725 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.199 -27.232 -17.703 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -1.348 -27.832 -19.112 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -3.345 -29.443 -20.717 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -4.444 -26.141 -18.327 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -5.737 -28.788 -21.382 1.00 0.00 H new