USER MOD reduce.3.24.130724 H: found=0, std=0, add=1450, rem=0, adj=60 USER MOD reduce.3.24.130724 removed 1453 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: B 24 CYS SG : rot 137:sc= -0.682 USER MOD Set 1.2: B 41 HIS : no HE2:sc= -6.5! C(o=-7.2!,f=-12!) USER MOD Set 2.1: A 55 HIS : no HE2:sc= -1.14 K(o=-0.46,f=-2.2) USER MOD Set 2.2: A 88 SER OG : rot 123:sc= 0.685 USER MOD Set 3.1: A 75 TYR OH : rot -99:sc= -2.61! USER MOD Set 3.2: A 77 TYR OH : rot -52:sc= -1.3! USER MOD Set 4.1: A 68 HIS : no HE2:sc= -7.43! C(o=-10!,f=-11!) USER MOD Set 4.2: C 4 THR OG1 : rot -0:sc= -2.63! USER MOD Set 5.1: A 67 THR OG1 : rot 180:sc= -0.131 USER MOD Set 5.2: B 43 LYS NZ :NH3+ 162:sc= 1.2 (180deg=0.555) USER MOD Set 5.3: B 53 THR OG1 : rot 85:sc= -0.788 USER MOD Set 5.4: B 55 HIS : no HD1:sc= -5.13! C(o=-5.6!,f=-6.9!) USER MOD Set 5.5: B 88 SER OG : rot 170:sc= -0.725 USER MOD Set 6.1: A 43 LYS NZ :NH3+ -166:sc= -0.035 (180deg=-0.269) USER MOD Set 6.2: A 53 THR OG1 : rot -110:sc= 1 USER MOD Set 6.3: B 67 THR OG1 : rot 140:sc= 1.2 USER MOD Set 7.1: A 31 LYS NZ :NH3+ -137:sc= -2.65! (180deg=-5.45!) USER MOD Set 7.2: A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -2.46 K(o=-2.5,f=-3.1!) USER MOD Single : A 13 MET CE :methyl 174:sc= -0.73 (180deg=-0.873) USER MOD Single : A 14 SER OG : rot 180:sc= -1.04 USER MOD Single : A 17 MET CE :methyl -141:sc= -0.162 (180deg=-1.3) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.709 F(o=-1.8,f=-0.71) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 21 SER OG : rot -21:sc= 0.521 USER MOD Single : A 24 CYS SG : rot 70:sc= -0.164 USER MOD Single : A 26 THR OG1 : rot 90:sc= 1.13 USER MOD Single : A 27 GLN : amide:sc= -3.06 K(o=-3.1,f=-6.9!) USER MOD Single : A 33 ASN :FLIP amide:sc= 0.212 F(o=-1.6,f=0.21) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -9.66! C(o=-9.7!,f=-15!) USER MOD Single : A 44 LYS NZ :NH3+ -167:sc= -0.0509 (180deg=-0.266) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -164:sc= -0.0459 (180deg=-0.307) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.73 X(o=-1.7,f=-1.4) USER MOD Single : A 56 CYS SG : rot -170:sc= -4.62! USER MOD Single : A 61 ASN : amide:sc= -1.78 K(o=-1.8,f=-3.9!) USER MOD Single : A 64 SER OG : rot 43:sc= -0.185 USER MOD Single : A 65 TYR OH : rot 5:sc= 1.08 USER MOD Single : A 70 THR OG1 : rot -70:sc= 0.468 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -7.06! C(o=-7.1!,f=-7.7!) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 87 LYS NZ :NH3+ -109:sc= 0.404 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 168:sc= 0.856 (180deg=0.648) USER MOD Single : B 10 ASN : amide:sc= -0.0952 X(o=-0.095,f=-0.0075) USER MOD Single : B 13 MET CE :methyl 161:sc= -4.26 (180deg=-4.57!) USER MOD Single : B 14 SER OG : rot 170:sc= -1.13 USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 18 GLN :FLIP amide:sc= -2.01! C(o=-3.7!,f=-2!) USER MOD Single : B 19 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.2) USER MOD Single : B 21 SER OG : rot -22:sc= 1.71 USER MOD Single : B 26 THR OG1 : rot 66:sc= 0.0602 USER MOD Single : B 27 GLN : amide:sc= -0.0575 X(o=-0.058,f=-0.39) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 ASN : amide:sc= -2.78! C(o=-2.8!,f=-6.8!) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 LYS NZ :NH3+ 169:sc= -0.0438 (180deg=-0.236) USER MOD Single : B 49 LYS NZ :NH3+ 163:sc= -0.0482 (180deg=-0.348) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 51 ASN : amide:sc= -1.63 X(o=-1.6,f=-1.2) USER MOD Single : B 56 CYS SG : rot 35:sc= -1.32 USER MOD Single : B 61 ASN :FLIP amide:sc= -0.23 F(o=-1.7,f=-0.23) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 65 TYR OH : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HE2:sc= -4.48! C(o=-4.5!,f=-6.6!) USER MOD Single : B 70 THR OG1 : rot -56:sc= 0.541 USER MOD Single : B 71 LYS NZ :NH3+ -161:sc= -0.0776 (180deg=-0.45) USER MOD Single : B 72 HIS : no HE2:sc= -4.5! C(o=-4.5!,f=-12!) USER MOD Single : B 75 TYR OH : rot 16:sc= -1.84 USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 87 LYS NZ :NH3+ -107:sc= 0.676 (180deg=-0.0158) USER MOD Single : C 1 MET CE :methyl -156:sc= -0.269 (180deg=-1.06) USER MOD Single : C 1 MET N :NH3+ -117:sc= -2.83! (180deg=-3.68!) USER MOD Single : C 2 LYS NZ :NH3+ 167:sc= -0.0146 (180deg=-0.229) USER MOD Single : C 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 4 THR OG1 : rot 117:sc= 0.679 USER MOD Single : D 7 GLN :FLIP amide:sc= 0 F(o=-1.9,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N ALA A 6 -13.049 -6.475 -13.932 1.00 0.00 N ATOM 90 CA ALA A 6 -12.138 -6.571 -12.797 1.00 0.00 C ATOM 91 C ALA A 6 -12.265 -7.914 -12.089 1.00 0.00 C ATOM 92 O ALA A 6 -13.366 -8.341 -11.744 1.00 0.00 O ATOM 93 CB ALA A 6 -12.403 -5.440 -11.817 1.00 0.00 C ATOM 0 HA ALA A 6 -11.121 -6.489 -13.179 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.717 -5.521 -10.974 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.252 -4.483 -12.316 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.430 -5.503 -11.457 1.00 0.00 H new ATOM 99 N VAL A 7 -11.132 -8.573 -11.869 1.00 0.00 N ATOM 100 CA VAL A 7 -11.122 -9.855 -11.200 1.00 0.00 C ATOM 101 C VAL A 7 -10.778 -9.716 -9.727 1.00 0.00 C ATOM 102 O VAL A 7 -9.859 -8.986 -9.355 1.00 0.00 O ATOM 103 CB VAL A 7 -10.127 -10.815 -11.850 1.00 0.00 C ATOM 104 CG1 VAL A 7 -10.560 -11.167 -13.266 1.00 0.00 C ATOM 105 CG2 VAL A 7 -8.722 -10.225 -11.842 1.00 0.00 C ATOM 0 H VAL A 7 -10.211 -8.234 -12.147 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.130 -10.260 -11.294 1.00 0.00 H new ATOM 0 HB VAL A 7 -10.111 -11.734 -11.264 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.836 -11.851 -13.708 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -11.540 -11.643 -13.239 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -10.614 -10.259 -13.866 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.030 -10.926 -12.310 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -8.718 -9.287 -12.397 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -8.411 -10.040 -10.814 1.00 0.00 H new ATOM 115 N ILE A 8 -11.513 -10.438 -8.891 1.00 0.00 N ATOM 116 CA ILE A 8 -11.285 -10.411 -7.453 1.00 0.00 C ATOM 117 C ILE A 8 -10.242 -11.449 -7.052 1.00 0.00 C ATOM 118 O ILE A 8 -10.351 -12.623 -7.404 1.00 0.00 O ATOM 119 CB ILE A 8 -12.591 -10.649 -6.659 1.00 0.00 C ATOM 120 CG1 ILE A 8 -13.562 -9.480 -6.856 1.00 0.00 C ATOM 121 CG2 ILE A 8 -12.297 -10.842 -5.176 1.00 0.00 C ATOM 122 CD1 ILE A 8 -13.993 -9.274 -8.289 1.00 0.00 C ATOM 0 H ILE A 8 -12.274 -11.051 -9.185 1.00 0.00 H new ATOM 0 HA ILE A 8 -10.915 -9.416 -7.207 1.00 0.00 H new ATOM 0 HB ILE A 8 -13.055 -11.558 -7.040 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.447 -9.649 -6.242 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.092 -8.566 -6.494 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.231 -11.008 -4.639 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.644 -11.705 -5.044 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.806 -9.952 -4.784 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.679 -8.429 -8.345 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.118 -9.072 -8.907 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.494 -10.172 -8.651 1.00 0.00 H new ATOM 134 N LYS A 9 -9.232 -11.002 -6.318 1.00 0.00 N ATOM 135 CA LYS A 9 -8.163 -11.885 -5.871 1.00 0.00 C ATOM 136 C LYS A 9 -8.572 -12.674 -4.632 1.00 0.00 C ATOM 137 O LYS A 9 -8.152 -13.817 -4.455 1.00 0.00 O ATOM 138 CB LYS A 9 -6.893 -11.083 -5.591 1.00 0.00 C ATOM 139 CG LYS A 9 -6.334 -10.389 -6.823 1.00 0.00 C ATOM 140 CD LYS A 9 -6.007 -11.385 -7.924 1.00 0.00 C ATOM 141 CE LYS A 9 -4.967 -12.398 -7.469 1.00 0.00 C ATOM 142 NZ LYS A 9 -4.639 -13.376 -8.543 1.00 0.00 N ATOM 0 H LYS A 9 -9.130 -10.032 -6.019 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.965 -12.598 -6.671 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.105 -10.335 -4.827 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.134 -11.750 -5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.057 -9.662 -7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.435 -9.835 -6.553 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.916 -11.906 -8.227 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.638 -10.852 -8.800 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.060 -11.876 -7.164 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.338 -12.931 -6.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.927 -14.049 -8.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.499 -13.893 -8.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.261 -12.870 -9.370 1.00 0.00 H new ATOM 156 N ASN A 10 -9.381 -12.064 -3.767 1.00 0.00 N ATOM 157 CA ASN A 10 -9.816 -12.739 -2.546 1.00 0.00 C ATOM 158 C ASN A 10 -11.139 -12.185 -2.022 1.00 0.00 C ATOM 159 O ASN A 10 -12.053 -12.944 -1.702 1.00 0.00 O ATOM 160 CB ASN A 10 -8.741 -12.616 -1.467 1.00 0.00 C ATOM 161 CG ASN A 10 -7.436 -13.274 -1.873 1.00 0.00 C ATOM 162 OD1 ASN A 10 -7.387 -14.475 -2.129 1.00 0.00 O ATOM 163 ND2 ASN A 10 -6.371 -12.483 -1.932 1.00 0.00 N ATOM 0 H ASN A 10 -9.744 -11.118 -3.886 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.972 -13.789 -2.794 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.562 -11.562 -1.254 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.102 -13.071 -0.545 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.465 -12.867 -2.199 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -6.459 -11.491 -1.711 1.00 0.00 H new ATOM 170 N ALA A 11 -11.240 -10.863 -1.927 1.00 0.00 N ATOM 171 CA ALA A 11 -12.457 -10.231 -1.428 1.00 0.00 C ATOM 172 C ALA A 11 -12.705 -10.607 0.030 1.00 0.00 C ATOM 173 O ALA A 11 -12.398 -11.721 0.456 1.00 0.00 O ATOM 174 CB ALA A 11 -13.651 -10.623 -2.287 1.00 0.00 C ATOM 0 H ALA A 11 -10.499 -10.212 -2.187 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.327 -9.150 -1.485 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.550 -10.143 -1.901 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.481 -10.302 -3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.778 -11.705 -2.261 1.00 0.00 H new ATOM 180 N ASP A 12 -13.256 -9.668 0.796 1.00 0.00 N ATOM 181 CA ASP A 12 -13.536 -9.901 2.208 1.00 0.00 C ATOM 182 C ASP A 12 -14.391 -8.778 2.786 1.00 0.00 C ATOM 183 O ASP A 12 -13.965 -8.054 3.689 1.00 0.00 O ATOM 184 CB ASP A 12 -12.231 -10.031 2.991 1.00 0.00 C ATOM 185 CG ASP A 12 -12.460 -10.264 4.473 1.00 0.00 C ATOM 186 OD1 ASP A 12 -13.092 -11.283 4.822 1.00 0.00 O ATOM 187 OD2 ASP A 12 -12.007 -9.428 5.283 1.00 0.00 O ATOM 0 H ASP A 12 -13.517 -8.740 0.462 1.00 0.00 H new ATOM 0 HA ASP A 12 -14.094 -10.833 2.296 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.648 -10.857 2.583 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.639 -9.126 2.857 1.00 0.00 H new ATOM 192 N MET A 13 -15.599 -8.638 2.254 1.00 0.00 N ATOM 193 CA MET A 13 -16.526 -7.606 2.703 1.00 0.00 C ATOM 194 C MET A 13 -17.877 -7.756 2.013 1.00 0.00 C ATOM 195 O MET A 13 -18.008 -8.500 1.040 1.00 0.00 O ATOM 196 CB MET A 13 -15.951 -6.213 2.437 1.00 0.00 C ATOM 197 CG MET A 13 -15.383 -6.042 1.038 1.00 0.00 C ATOM 198 SD MET A 13 -14.923 -4.336 0.674 1.00 0.00 S ATOM 199 CE MET A 13 -13.889 -3.939 2.082 1.00 0.00 C ATOM 0 H MET A 13 -15.961 -9.230 1.507 1.00 0.00 H new ATOM 0 HA MET A 13 -16.670 -7.726 3.777 1.00 0.00 H new ATOM 0 HB2 MET A 13 -16.733 -5.471 2.595 1.00 0.00 H new ATOM 0 HB3 MET A 13 -15.166 -6.009 3.165 1.00 0.00 H new ATOM 0 HG2 MET A 13 -14.507 -6.681 0.926 1.00 0.00 H new ATOM 0 HG3 MET A 13 -16.119 -6.379 0.308 1.00 0.00 H new ATOM 0 HE1 MET A 13 -13.446 -2.953 1.942 1.00 0.00 H new ATOM 0 HE2 MET A 13 -14.494 -3.939 2.989 1.00 0.00 H new ATOM 0 HE3 MET A 13 -13.097 -4.683 2.173 1.00 0.00 H new ATOM 209 N SER A 14 -18.881 -7.054 2.532 1.00 0.00 N ATOM 210 CA SER A 14 -20.235 -7.105 1.979 1.00 0.00 C ATOM 211 C SER A 14 -20.219 -7.099 0.451 1.00 0.00 C ATOM 212 O SER A 14 -19.427 -6.392 -0.170 1.00 0.00 O ATOM 213 CB SER A 14 -21.060 -5.924 2.494 1.00 0.00 C ATOM 214 OG SER A 14 -22.377 -5.955 1.971 1.00 0.00 O ATOM 0 H SER A 14 -18.783 -6.439 3.340 1.00 0.00 H new ATOM 0 HA SER A 14 -20.692 -8.039 2.308 1.00 0.00 H new ATOM 0 HB2 SER A 14 -21.097 -5.950 3.583 1.00 0.00 H new ATOM 0 HB3 SER A 14 -20.576 -4.988 2.214 1.00 0.00 H new ATOM 0 HG SER A 14 -22.884 -5.191 2.316 1.00 0.00 H new ATOM 220 N GLU A 15 -21.100 -7.900 -0.146 1.00 0.00 N ATOM 221 CA GLU A 15 -21.189 -8.002 -1.600 1.00 0.00 C ATOM 222 C GLU A 15 -21.336 -6.628 -2.245 1.00 0.00 C ATOM 223 O GLU A 15 -20.632 -6.300 -3.198 1.00 0.00 O ATOM 224 CB GLU A 15 -22.371 -8.890 -1.994 1.00 0.00 C ATOM 225 CG GLU A 15 -22.274 -10.306 -1.451 1.00 0.00 C ATOM 226 CD GLU A 15 -23.457 -11.166 -1.853 1.00 0.00 C ATOM 227 OE1 GLU A 15 -24.599 -10.809 -1.494 1.00 0.00 O ATOM 228 OE2 GLU A 15 -23.241 -12.196 -2.525 1.00 0.00 O ATOM 0 H GLU A 15 -21.764 -8.489 0.357 1.00 0.00 H new ATOM 0 HA GLU A 15 -20.263 -8.449 -1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -23.293 -8.434 -1.634 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -22.438 -8.930 -3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -21.355 -10.767 -1.812 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -22.208 -10.271 -0.364 1.00 0.00 H new ATOM 235 N GLU A 16 -22.252 -5.831 -1.717 1.00 0.00 N ATOM 236 CA GLU A 16 -22.492 -4.492 -2.241 1.00 0.00 C ATOM 237 C GLU A 16 -21.259 -3.609 -2.079 1.00 0.00 C ATOM 238 O GLU A 16 -20.940 -2.807 -2.956 1.00 0.00 O ATOM 239 CB GLU A 16 -23.690 -3.854 -1.534 1.00 0.00 C ATOM 240 CG GLU A 16 -23.507 -3.716 -0.032 1.00 0.00 C ATOM 241 CD GLU A 16 -24.706 -3.083 0.647 1.00 0.00 C ATOM 242 OE1 GLU A 16 -25.043 -1.930 0.304 1.00 0.00 O ATOM 243 OE2 GLU A 16 -25.310 -3.741 1.521 1.00 0.00 O ATOM 0 H GLU A 16 -22.843 -6.087 -0.926 1.00 0.00 H new ATOM 0 HA GLU A 16 -22.710 -4.581 -3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -23.871 -2.868 -1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -24.579 -4.454 -1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -23.327 -4.700 0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -22.621 -3.114 0.168 1.00 0.00 H new ATOM 250 N MET A 17 -20.577 -3.753 -0.948 1.00 0.00 N ATOM 251 CA MET A 17 -19.386 -2.957 -0.669 1.00 0.00 C ATOM 252 C MET A 17 -18.310 -3.182 -1.724 1.00 0.00 C ATOM 253 O MET A 17 -17.787 -2.228 -2.302 1.00 0.00 O ATOM 254 CB MET A 17 -18.843 -3.290 0.721 1.00 0.00 C ATOM 255 CG MET A 17 -17.657 -2.433 1.131 1.00 0.00 C ATOM 256 SD MET A 17 -17.048 -2.838 2.781 1.00 0.00 S ATOM 257 CE MET A 17 -18.506 -2.511 3.769 1.00 0.00 C ATOM 0 H MET A 17 -20.827 -4.412 -0.211 1.00 0.00 H new ATOM 0 HA MET A 17 -19.669 -1.905 -0.698 1.00 0.00 H new ATOM 0 HB2 MET A 17 -19.641 -3.166 1.453 1.00 0.00 H new ATOM 0 HB3 MET A 17 -18.548 -4.339 0.745 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.852 -2.563 0.408 1.00 0.00 H new ATOM 0 HG3 MET A 17 -17.945 -1.382 1.101 1.00 0.00 H new ATOM 0 HE1 MET A 17 -18.212 -2.042 4.708 1.00 0.00 H new ATOM 0 HE2 MET A 17 -19.173 -1.843 3.224 1.00 0.00 H new ATOM 0 HE3 MET A 17 -19.022 -3.448 3.977 1.00 0.00 H new ATOM 267 N GLN A 18 -17.985 -4.443 -1.978 1.00 0.00 N ATOM 268 CA GLN A 18 -16.971 -4.780 -2.973 1.00 0.00 C ATOM 269 C GLN A 18 -17.378 -4.277 -4.353 1.00 0.00 C ATOM 270 O GLN A 18 -16.544 -3.784 -5.113 1.00 0.00 O ATOM 271 CB GLN A 18 -16.724 -6.288 -3.002 1.00 0.00 C ATOM 272 CG GLN A 18 -17.991 -7.117 -3.119 1.00 0.00 C ATOM 273 CD GLN A 18 -17.712 -8.602 -3.038 1.00 0.00 C ATOM 274 OE1 GLN A 18 -18.094 -9.209 -1.922 1.00 0.00 O flip ATOM 275 NE2 GLN A 18 -17.141 -9.192 -3.955 1.00 0.00 N flip ATOM 0 H GLN A 18 -18.406 -5.247 -1.512 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.042 -4.285 -2.691 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -16.069 -6.523 -3.841 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -16.195 -6.577 -2.094 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -18.682 -6.835 -2.325 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -18.484 -6.893 -4.065 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.866 -8.684 -4.795 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.943 -10.189 -3.875 1.00 0.00 H new ATOM 284 N GLN A 19 -18.663 -4.389 -4.665 1.00 0.00 N ATOM 285 CA GLN A 19 -19.172 -3.930 -5.950 1.00 0.00 C ATOM 286 C GLN A 19 -19.044 -2.415 -6.067 1.00 0.00 C ATOM 287 O GLN A 19 -18.621 -1.895 -7.098 1.00 0.00 O ATOM 288 CB GLN A 19 -20.632 -4.349 -6.134 1.00 0.00 C ATOM 289 CG GLN A 19 -20.824 -5.853 -6.252 1.00 0.00 C ATOM 290 CD GLN A 19 -22.281 -6.246 -6.386 1.00 0.00 C ATOM 291 OE1 GLN A 19 -23.097 -5.961 -5.510 1.00 0.00 O ATOM 292 NE2 GLN A 19 -22.616 -6.906 -7.489 1.00 0.00 N ATOM 0 H GLN A 19 -19.369 -4.792 -4.049 1.00 0.00 H new ATOM 0 HA GLN A 19 -18.575 -4.394 -6.735 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -21.216 -3.982 -5.290 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -21.029 -3.869 -7.029 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -20.272 -6.219 -7.117 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -20.400 -6.340 -5.374 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -21.907 -7.121 -8.190 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -23.582 -7.197 -7.635 1.00 0.00 H new ATOM 301 N ASP A 20 -19.404 -1.715 -4.998 1.00 0.00 N ATOM 302 CA ASP A 20 -19.325 -0.258 -4.975 1.00 0.00 C ATOM 303 C ASP A 20 -17.891 0.204 -5.180 1.00 0.00 C ATOM 304 O ASP A 20 -17.645 1.196 -5.856 1.00 0.00 O ATOM 305 CB ASP A 20 -19.877 0.289 -3.658 1.00 0.00 C ATOM 306 CG ASP A 20 -19.873 1.806 -3.613 1.00 0.00 C ATOM 307 OD1 ASP A 20 -20.513 2.427 -4.487 1.00 0.00 O ATOM 308 OD2 ASP A 20 -19.232 2.371 -2.703 1.00 0.00 O ATOM 0 H ASP A 20 -19.754 -2.132 -4.135 1.00 0.00 H new ATOM 0 HA ASP A 20 -19.933 0.130 -5.793 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -20.895 -0.073 -3.516 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -19.283 -0.098 -2.830 1.00 0.00 H new ATOM 313 N SER A 21 -16.947 -0.523 -4.602 1.00 0.00 N ATOM 314 CA SER A 21 -15.542 -0.176 -4.747 1.00 0.00 C ATOM 315 C SER A 21 -15.108 -0.357 -6.194 1.00 0.00 C ATOM 316 O SER A 21 -14.401 0.482 -6.753 1.00 0.00 O ATOM 317 CB SER A 21 -14.677 -1.033 -3.822 1.00 0.00 C ATOM 318 OG SER A 21 -15.036 -0.843 -2.465 1.00 0.00 O ATOM 0 H SER A 21 -17.126 -1.350 -4.033 1.00 0.00 H new ATOM 0 HA SER A 21 -15.411 0.869 -4.466 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.788 -2.085 -4.087 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.627 -0.778 -3.962 1.00 0.00 H new ATOM 0 HG SER A 21 -15.505 0.012 -2.367 1.00 0.00 H new ATOM 324 N VAL A 22 -15.550 -1.453 -6.802 1.00 0.00 N ATOM 325 CA VAL A 22 -15.221 -1.736 -8.191 1.00 0.00 C ATOM 326 C VAL A 22 -15.830 -0.680 -9.101 1.00 0.00 C ATOM 327 O VAL A 22 -15.167 -0.154 -9.995 1.00 0.00 O ATOM 328 CB VAL A 22 -15.727 -3.129 -8.619 1.00 0.00 C ATOM 329 CG1 VAL A 22 -15.288 -3.446 -10.042 1.00 0.00 C ATOM 330 CG2 VAL A 22 -15.242 -4.198 -7.650 1.00 0.00 C ATOM 0 H VAL A 22 -16.136 -2.158 -6.354 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.135 -1.720 -8.281 1.00 0.00 H new ATOM 0 HB VAL A 22 -16.817 -3.120 -8.595 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.655 -4.433 -10.325 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.695 -2.699 -10.723 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -14.200 -3.434 -10.098 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.610 -5.173 -7.970 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.152 -4.208 -7.635 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.616 -3.979 -6.650 1.00 0.00 H new ATOM 340 N GLU A 23 -17.096 -0.368 -8.856 1.00 0.00 N ATOM 341 CA GLU A 23 -17.800 0.638 -9.638 1.00 0.00 C ATOM 342 C GLU A 23 -17.165 2.006 -9.432 1.00 0.00 C ATOM 343 O GLU A 23 -16.889 2.726 -10.390 1.00 0.00 O ATOM 344 CB GLU A 23 -19.280 0.687 -9.246 1.00 0.00 C ATOM 345 CG GLU A 23 -20.036 -0.598 -9.538 1.00 0.00 C ATOM 346 CD GLU A 23 -20.064 -0.937 -11.014 1.00 0.00 C ATOM 347 OE1 GLU A 23 -20.566 -0.111 -11.804 1.00 0.00 O ATOM 348 OE2 GLU A 23 -19.587 -2.032 -11.379 1.00 0.00 O ATOM 0 H GLU A 23 -17.657 -0.798 -8.120 1.00 0.00 H new ATOM 0 HA GLU A 23 -17.726 0.366 -10.691 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -19.357 0.909 -8.182 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -19.760 1.508 -9.778 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -19.574 -1.419 -8.990 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -21.058 -0.505 -9.171 1.00 0.00 H new ATOM 355 N CYS A 24 -16.936 2.352 -8.173 1.00 0.00 N ATOM 356 CA CYS A 24 -16.330 3.634 -7.833 1.00 0.00 C ATOM 357 C CYS A 24 -14.895 3.722 -8.341 1.00 0.00 C ATOM 358 O CYS A 24 -14.437 4.791 -8.745 1.00 0.00 O ATOM 359 CB CYS A 24 -16.369 3.866 -6.322 1.00 0.00 C ATOM 360 SG CYS A 24 -18.036 4.047 -5.644 1.00 0.00 S ATOM 0 H CYS A 24 -17.160 1.764 -7.370 1.00 0.00 H new ATOM 0 HA CYS A 24 -16.912 4.414 -8.324 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -15.875 3.031 -5.824 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -15.794 4.762 -6.088 1.00 0.00 H new ATOM 0 HG CYS A 24 -18.651 2.903 -5.694 1.00 0.00 H new ATOM 366 N ALA A 25 -14.190 2.595 -8.329 1.00 0.00 N ATOM 367 CA ALA A 25 -12.818 2.561 -8.802 1.00 0.00 C ATOM 368 C ALA A 25 -12.791 2.723 -10.312 1.00 0.00 C ATOM 369 O ALA A 25 -11.908 3.378 -10.867 1.00 0.00 O ATOM 370 CB ALA A 25 -12.147 1.258 -8.392 1.00 0.00 C ATOM 0 H ALA A 25 -14.548 1.699 -7.998 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.266 3.385 -8.349 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.119 1.248 -8.754 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.150 1.174 -7.305 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.691 0.417 -8.822 1.00 0.00 H new ATOM 376 N THR A 26 -13.777 2.119 -10.971 1.00 0.00 N ATOM 377 CA THR A 26 -13.881 2.190 -12.417 1.00 0.00 C ATOM 378 C THR A 26 -14.147 3.621 -12.871 1.00 0.00 C ATOM 379 O THR A 26 -13.456 4.149 -13.745 1.00 0.00 O ATOM 380 CB THR A 26 -14.991 1.264 -12.919 1.00 0.00 C ATOM 381 OG1 THR A 26 -14.735 -0.076 -12.538 1.00 0.00 O ATOM 382 CG2 THR A 26 -15.159 1.288 -14.424 1.00 0.00 C ATOM 0 H THR A 26 -14.514 1.575 -10.521 1.00 0.00 H new ATOM 0 HA THR A 26 -12.932 1.864 -12.842 1.00 0.00 H new ATOM 0 HB THR A 26 -15.907 1.638 -12.462 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.144 -0.252 -11.665 1.00 0.00 H new ATOM 0 HG21 THR A 26 -15.962 0.609 -14.711 1.00 0.00 H new ATOM 0 HG22 THR A 26 -15.406 2.300 -14.746 1.00 0.00 H new ATOM 0 HG23 THR A 26 -14.230 0.972 -14.899 1.00 0.00 H new ATOM 390 N GLN A 27 -15.144 4.249 -12.258 1.00 0.00 N ATOM 391 CA GLN A 27 -15.492 5.625 -12.586 1.00 0.00 C ATOM 392 C GLN A 27 -14.298 6.532 -12.339 1.00 0.00 C ATOM 393 O GLN A 27 -14.058 7.487 -13.076 1.00 0.00 O ATOM 394 CB GLN A 27 -16.686 6.092 -11.751 1.00 0.00 C ATOM 395 CG GLN A 27 -17.949 5.277 -11.977 1.00 0.00 C ATOM 396 CD GLN A 27 -18.433 5.334 -13.413 1.00 0.00 C ATOM 397 OE1 GLN A 27 -17.731 4.914 -14.335 1.00 0.00 O ATOM 398 NE2 GLN A 27 -19.638 5.855 -13.611 1.00 0.00 N ATOM 0 H GLN A 27 -15.724 3.827 -11.533 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.768 5.673 -13.639 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.419 6.046 -10.695 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -16.893 7.137 -11.982 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -17.761 4.239 -11.702 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -18.736 5.644 -11.318 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -20.185 6.191 -12.818 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -20.017 5.920 -14.556 1.00 0.00 H new ATOM 407 N ALA A 28 -13.551 6.214 -11.292 1.00 0.00 N ATOM 408 CA ALA A 28 -12.372 6.979 -10.930 1.00 0.00 C ATOM 409 C ALA A 28 -11.366 7.005 -12.073 1.00 0.00 C ATOM 410 O ALA A 28 -10.852 8.063 -12.439 1.00 0.00 O ATOM 411 CB ALA A 28 -11.735 6.381 -9.693 1.00 0.00 C ATOM 0 H ALA A 28 -13.745 5.425 -10.675 1.00 0.00 H new ATOM 0 HA ALA A 28 -12.677 8.005 -10.722 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.850 6.958 -9.424 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.448 6.405 -8.869 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.448 5.349 -9.894 1.00 0.00 H new ATOM 417 N LEU A 29 -11.082 5.832 -12.626 1.00 0.00 N ATOM 418 CA LEU A 29 -10.128 5.714 -13.720 1.00 0.00 C ATOM 419 C LEU A 29 -10.553 6.542 -14.923 1.00 0.00 C ATOM 420 O LEU A 29 -9.749 7.268 -15.504 1.00 0.00 O ATOM 421 CB LEU A 29 -9.958 4.252 -14.121 1.00 0.00 C ATOM 422 CG LEU A 29 -9.168 3.416 -13.118 1.00 0.00 C ATOM 423 CD1 LEU A 29 -9.324 1.932 -13.414 1.00 0.00 C ATOM 424 CD2 LEU A 29 -7.699 3.809 -13.143 1.00 0.00 C ATOM 0 H LEU A 29 -11.500 4.948 -12.334 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.172 6.101 -13.368 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -10.944 3.806 -14.252 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.457 4.208 -15.088 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.565 3.610 -12.122 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.753 1.354 -12.687 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.377 1.657 -13.350 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.954 1.720 -14.417 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.148 3.204 -12.422 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.295 3.642 -14.141 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.600 4.863 -12.883 1.00 0.00 H new ATOM 436 N GLU A 30 -11.820 6.430 -15.295 1.00 0.00 N ATOM 437 CA GLU A 30 -12.343 7.174 -16.435 1.00 0.00 C ATOM 438 C GLU A 30 -12.353 8.676 -16.157 1.00 0.00 C ATOM 439 O GLU A 30 -12.258 9.486 -17.079 1.00 0.00 O ATOM 440 CB GLU A 30 -13.751 6.695 -16.788 1.00 0.00 C ATOM 441 CG GLU A 30 -14.735 6.804 -15.639 1.00 0.00 C ATOM 442 CD GLU A 30 -16.130 6.345 -16.018 1.00 0.00 C ATOM 443 OE1 GLU A 30 -16.282 5.167 -16.406 1.00 0.00 O ATOM 444 OE2 GLU A 30 -17.069 7.163 -15.929 1.00 0.00 O ATOM 0 H GLU A 30 -12.503 5.834 -14.827 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.684 6.989 -17.283 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.123 7.277 -17.631 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.701 5.657 -17.115 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.376 6.207 -14.801 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.777 7.839 -15.299 1.00 0.00 H new ATOM 451 N LYS A 31 -12.476 9.043 -14.884 1.00 0.00 N ATOM 452 CA LYS A 31 -12.508 10.448 -14.495 1.00 0.00 C ATOM 453 C LYS A 31 -11.106 11.016 -14.309 1.00 0.00 C ATOM 454 O LYS A 31 -10.829 12.147 -14.709 1.00 0.00 O ATOM 455 CB LYS A 31 -13.317 10.628 -13.207 1.00 0.00 C ATOM 456 CG LYS A 31 -14.798 10.327 -13.373 1.00 0.00 C ATOM 457 CD LYS A 31 -15.536 10.339 -12.040 1.00 0.00 C ATOM 458 CE LYS A 31 -15.513 11.712 -11.383 1.00 0.00 C ATOM 459 NZ LYS A 31 -14.168 12.062 -10.847 1.00 0.00 N ATOM 0 H LYS A 31 -12.555 8.388 -14.106 1.00 0.00 H new ATOM 0 HA LYS A 31 -12.989 10.998 -15.304 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.906 9.977 -12.436 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.200 11.653 -12.854 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -15.245 11.063 -14.041 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -14.919 9.352 -13.846 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -16.570 10.030 -12.196 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -15.083 9.609 -11.369 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.819 12.465 -12.110 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -16.242 11.736 -10.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.271 12.496 -9.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.590 11.201 -10.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.702 12.734 -11.489 1.00 0.00 H new ATOM 473 N TYR A 32 -10.228 10.236 -13.690 1.00 0.00 N ATOM 474 CA TYR A 32 -8.863 10.685 -13.443 1.00 0.00 C ATOM 475 C TYR A 32 -7.839 9.800 -14.145 1.00 0.00 C ATOM 476 O TYR A 32 -6.907 10.297 -14.778 1.00 0.00 O ATOM 477 CB TYR A 32 -8.579 10.713 -11.941 1.00 0.00 C ATOM 478 CG TYR A 32 -9.490 11.640 -11.170 1.00 0.00 C ATOM 479 CD1 TYR A 32 -9.536 12.997 -11.457 1.00 0.00 C ATOM 480 CD2 TYR A 32 -10.304 11.157 -10.153 1.00 0.00 C ATOM 481 CE1 TYR A 32 -10.364 13.849 -10.755 1.00 0.00 C ATOM 482 CE2 TYR A 32 -11.138 12.002 -9.446 1.00 0.00 C ATOM 483 CZ TYR A 32 -11.165 13.347 -9.749 1.00 0.00 C ATOM 484 OH TYR A 32 -11.994 14.191 -9.047 1.00 0.00 O ATOM 0 H TYR A 32 -10.434 9.296 -13.352 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.772 11.692 -13.851 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.679 9.704 -11.542 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.545 11.018 -11.781 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.912 13.394 -12.244 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.285 10.105 -9.911 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.385 14.903 -10.991 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -11.766 11.611 -8.659 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.490 13.678 -8.375 1.00 0.00 H new ATOM 494 N ASN A 33 -8.007 8.488 -14.023 1.00 0.00 N ATOM 495 CA ASN A 33 -7.088 7.540 -14.640 1.00 0.00 C ATOM 496 C ASN A 33 -5.712 7.628 -13.981 1.00 0.00 C ATOM 497 O ASN A 33 -4.690 7.730 -14.659 1.00 0.00 O ATOM 498 CB ASN A 33 -6.970 7.806 -16.146 1.00 0.00 C ATOM 499 CG ASN A 33 -6.244 6.694 -16.882 1.00 0.00 C ATOM 500 OD1 ASN A 33 -6.936 6.060 -17.822 1.00 0.00 O flip ATOM 501 ND2 ASN A 33 -5.078 6.408 -16.612 1.00 0.00 N flip ATOM 0 H ASN A 33 -8.771 8.057 -13.502 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.483 6.535 -14.495 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.967 7.925 -16.569 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.442 8.746 -16.305 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.583 6.921 -15.882 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.606 5.658 -17.118 1.00 0.00 H new ATOM 508 N ILE A 34 -5.695 7.591 -12.651 1.00 0.00 N ATOM 509 CA ILE A 34 -4.447 7.667 -11.901 1.00 0.00 C ATOM 510 C ILE A 34 -4.558 6.893 -10.590 1.00 0.00 C ATOM 511 O ILE A 34 -5.324 7.262 -9.700 1.00 0.00 O ATOM 512 CB ILE A 34 -4.064 9.129 -11.598 1.00 0.00 C ATOM 513 CG1 ILE A 34 -3.956 9.931 -12.898 1.00 0.00 C ATOM 514 CG2 ILE A 34 -2.755 9.192 -10.822 1.00 0.00 C ATOM 515 CD1 ILE A 34 -3.569 11.378 -12.687 1.00 0.00 C ATOM 0 H ILE A 34 -6.531 7.509 -12.072 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.668 7.221 -12.520 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.848 9.570 -10.982 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.219 9.458 -13.547 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.912 9.892 -13.420 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.503 10.233 -10.618 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.864 8.654 -9.880 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.960 8.735 -11.411 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.512 11.884 -13.651 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.318 11.868 -12.064 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.598 11.427 -12.194 1.00 0.00 H new ATOM 527 N GLU A 35 -3.783 5.816 -10.483 1.00 0.00 N ATOM 528 CA GLU A 35 -3.781 4.962 -9.296 1.00 0.00 C ATOM 529 C GLU A 35 -3.827 5.771 -8.001 1.00 0.00 C ATOM 530 O GLU A 35 -4.574 5.439 -7.080 1.00 0.00 O ATOM 531 CB GLU A 35 -2.539 4.069 -9.306 1.00 0.00 C ATOM 532 CG GLU A 35 -1.236 4.847 -9.400 1.00 0.00 C ATOM 533 CD GLU A 35 -0.022 3.946 -9.507 1.00 0.00 C ATOM 534 OE1 GLU A 35 0.205 3.146 -8.578 1.00 0.00 O ATOM 535 OE2 GLU A 35 0.699 4.039 -10.521 1.00 0.00 O ATOM 0 H GLU A 35 -3.140 5.511 -11.214 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.682 4.350 -9.330 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.528 3.465 -8.399 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.603 3.379 -10.148 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.272 5.505 -10.268 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.134 5.484 -8.521 1.00 0.00 H new ATOM 542 N LYS A 36 -3.024 6.827 -7.930 1.00 0.00 N ATOM 543 CA LYS A 36 -2.977 7.668 -6.739 1.00 0.00 C ATOM 544 C LYS A 36 -4.313 8.367 -6.497 1.00 0.00 C ATOM 545 O LYS A 36 -4.912 8.233 -5.431 1.00 0.00 O ATOM 546 CB LYS A 36 -1.873 8.715 -6.883 1.00 0.00 C ATOM 547 CG LYS A 36 -1.707 9.598 -5.656 1.00 0.00 C ATOM 548 CD LYS A 36 -0.815 10.792 -5.948 1.00 0.00 C ATOM 549 CE LYS A 36 -1.449 11.728 -6.964 1.00 0.00 C ATOM 550 NZ LYS A 36 -0.597 12.919 -7.230 1.00 0.00 N ATOM 0 H LYS A 36 -2.399 7.121 -8.680 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.767 7.025 -5.884 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.929 8.210 -7.087 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.091 9.344 -7.746 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.684 9.946 -5.321 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.280 9.014 -4.841 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.620 11.336 -5.024 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.148 10.445 -6.323 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.621 11.189 -7.896 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.423 12.053 -6.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.065 13.532 -7.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.454 13.448 -6.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.324 12.611 -7.602 1.00 0.00 H new ATOM 564 N ASP A 37 -4.760 9.128 -7.490 1.00 0.00 N ATOM 565 CA ASP A 37 -6.013 9.874 -7.391 1.00 0.00 C ATOM 566 C ASP A 37 -7.215 8.961 -7.146 1.00 0.00 C ATOM 567 O ASP A 37 -8.061 9.255 -6.298 1.00 0.00 O ATOM 568 CB ASP A 37 -6.239 10.695 -8.662 1.00 0.00 C ATOM 569 CG ASP A 37 -5.157 11.732 -8.881 1.00 0.00 C ATOM 570 OD1 ASP A 37 -3.975 11.344 -8.997 1.00 0.00 O ATOM 571 OD2 ASP A 37 -5.489 12.935 -8.937 1.00 0.00 O ATOM 0 H ASP A 37 -4.272 9.246 -8.378 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.924 10.538 -6.532 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.276 10.026 -9.522 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.207 11.192 -8.603 1.00 0.00 H new ATOM 576 N ILE A 38 -7.301 7.863 -7.894 1.00 0.00 N ATOM 577 CA ILE A 38 -8.420 6.932 -7.752 1.00 0.00 C ATOM 578 C ILE A 38 -8.630 6.538 -6.292 1.00 0.00 C ATOM 579 O ILE A 38 -9.734 6.659 -5.757 1.00 0.00 O ATOM 580 CB ILE A 38 -8.211 5.649 -8.589 1.00 0.00 C ATOM 581 CG1 ILE A 38 -7.944 5.981 -10.066 1.00 0.00 C ATOM 582 CG2 ILE A 38 -9.409 4.719 -8.455 1.00 0.00 C ATOM 583 CD1 ILE A 38 -8.691 7.192 -10.586 1.00 0.00 C ATOM 0 H ILE A 38 -6.615 7.597 -8.600 1.00 0.00 H new ATOM 0 HA ILE A 38 -9.303 7.455 -8.120 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.331 5.137 -8.199 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.875 6.145 -10.200 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.213 5.117 -10.673 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.242 3.822 -9.052 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.538 4.440 -7.409 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -10.306 5.228 -8.808 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.442 7.350 -11.635 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.764 7.027 -10.489 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.405 8.071 -10.009 1.00 0.00 H new ATOM 595 N ALA A 39 -7.566 6.068 -5.657 1.00 0.00 N ATOM 596 CA ALA A 39 -7.628 5.655 -4.263 1.00 0.00 C ATOM 597 C ALA A 39 -7.955 6.831 -3.347 1.00 0.00 C ATOM 598 O ALA A 39 -8.497 6.648 -2.259 1.00 0.00 O ATOM 599 CB ALA A 39 -6.313 5.013 -3.847 1.00 0.00 C ATOM 0 H ALA A 39 -6.647 5.963 -6.087 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.430 4.923 -4.165 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.371 4.708 -2.802 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.122 4.139 -4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.502 5.731 -3.971 1.00 0.00 H new ATOM 605 N ALA A 40 -7.610 8.037 -3.788 1.00 0.00 N ATOM 606 CA ALA A 40 -7.854 9.237 -2.994 1.00 0.00 C ATOM 607 C ALA A 40 -9.346 9.487 -2.787 1.00 0.00 C ATOM 608 O ALA A 40 -9.820 9.574 -1.652 1.00 0.00 O ATOM 609 CB ALA A 40 -7.204 10.441 -3.656 1.00 0.00 C ATOM 0 H ALA A 40 -7.162 8.209 -4.688 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.409 9.081 -2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.392 11.331 -3.056 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.129 10.277 -3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.624 10.579 -4.652 1.00 0.00 H new ATOM 615 N HIS A 41 -10.082 9.615 -3.888 1.00 0.00 N ATOM 616 CA HIS A 41 -11.514 9.870 -3.811 1.00 0.00 C ATOM 617 C HIS A 41 -12.241 8.697 -3.155 1.00 0.00 C ATOM 618 O HIS A 41 -13.080 8.889 -2.275 1.00 0.00 O ATOM 619 CB HIS A 41 -12.084 10.146 -5.210 1.00 0.00 C ATOM 620 CG HIS A 41 -12.700 8.949 -5.869 1.00 0.00 C ATOM 621 ND1 HIS A 41 -13.896 8.403 -5.455 1.00 0.00 N ATOM 622 CD2 HIS A 41 -12.279 8.190 -6.905 1.00 0.00 C ATOM 623 CE1 HIS A 41 -14.184 7.360 -6.209 1.00 0.00 C ATOM 624 NE2 HIS A 41 -13.221 7.208 -7.098 1.00 0.00 N ATOM 0 H HIS A 41 -9.712 9.547 -4.836 1.00 0.00 H new ATOM 0 HA HIS A 41 -11.672 10.753 -3.192 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -12.835 10.933 -5.136 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.286 10.527 -5.847 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -14.469 8.751 -4.686 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -11.372 8.329 -7.475 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -15.060 6.736 -6.115 1.00 0.00 H new ATOM 633 N ILE A 42 -11.914 7.483 -3.589 1.00 0.00 N ATOM 634 CA ILE A 42 -12.537 6.285 -3.037 1.00 0.00 C ATOM 635 C ILE A 42 -12.267 6.172 -1.540 1.00 0.00 C ATOM 636 O ILE A 42 -13.133 5.751 -0.774 1.00 0.00 O ATOM 637 CB ILE A 42 -12.054 5.004 -3.755 1.00 0.00 C ATOM 638 CG1 ILE A 42 -12.438 5.046 -5.233 1.00 0.00 C ATOM 639 CG2 ILE A 42 -12.633 3.760 -3.089 1.00 0.00 C ATOM 640 CD1 ILE A 42 -11.999 3.821 -6.002 1.00 0.00 C ATOM 0 H ILE A 42 -11.224 7.304 -4.318 1.00 0.00 H new ATOM 0 HA ILE A 42 -13.611 6.380 -3.199 1.00 0.00 H new ATOM 0 HB ILE A 42 -10.968 4.957 -3.679 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -13.520 5.150 -5.317 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -11.996 5.931 -5.691 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.280 2.870 -3.611 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.312 3.722 -2.048 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -13.722 3.798 -3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.304 3.917 -7.044 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.914 3.727 -5.948 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.462 2.934 -5.569 1.00 0.00 H new ATOM 652 N LYS A 43 -11.063 6.552 -1.125 1.00 0.00 N ATOM 653 CA LYS A 43 -10.690 6.491 0.284 1.00 0.00 C ATOM 654 C LYS A 43 -11.612 7.363 1.129 1.00 0.00 C ATOM 655 O LYS A 43 -12.182 6.904 2.120 1.00 0.00 O ATOM 656 CB LYS A 43 -9.241 6.945 0.474 1.00 0.00 C ATOM 657 CG LYS A 43 -8.778 6.905 1.921 1.00 0.00 C ATOM 658 CD LYS A 43 -7.328 7.335 2.056 1.00 0.00 C ATOM 659 CE LYS A 43 -6.869 7.307 3.505 1.00 0.00 C ATOM 660 NZ LYS A 43 -7.675 8.219 4.361 1.00 0.00 N ATOM 0 H LYS A 43 -10.331 6.904 -1.742 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.788 5.456 0.611 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.588 6.311 -0.126 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.134 7.961 0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.409 7.558 2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.897 5.895 2.314 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.696 6.676 1.461 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.207 8.341 1.655 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.942 6.290 3.889 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.819 7.593 3.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.194 8.355 5.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.781 9.138 3.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.614 7.803 4.524 1.00 0.00 H new ATOM 674 N LYS A 44 -11.741 8.627 0.739 1.00 0.00 N ATOM 675 CA LYS A 44 -12.581 9.569 1.470 1.00 0.00 C ATOM 676 C LYS A 44 -14.066 9.251 1.310 1.00 0.00 C ATOM 677 O LYS A 44 -14.827 9.311 2.274 1.00 0.00 O ATOM 678 CB LYS A 44 -12.305 10.998 0.999 1.00 0.00 C ATOM 679 CG LYS A 44 -10.859 11.427 1.178 1.00 0.00 C ATOM 680 CD LYS A 44 -10.634 12.848 0.683 1.00 0.00 C ATOM 681 CE LYS A 44 -9.183 13.272 0.848 1.00 0.00 C ATOM 682 NZ LYS A 44 -8.752 13.231 2.272 1.00 0.00 N ATOM 0 H LYS A 44 -11.275 9.022 -0.078 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.331 9.476 2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.573 11.083 -0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.950 11.684 1.548 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.586 11.360 2.231 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.206 10.744 0.635 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.917 12.918 -0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.279 13.533 1.233 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.544 12.617 0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.053 14.282 0.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.845 13.729 2.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.470 13.694 2.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.640 12.242 2.573 1.00 0.00 H new ATOM 696 N GLU A 45 -14.475 8.928 0.087 1.00 0.00 N ATOM 697 CA GLU A 45 -15.877 8.620 -0.194 1.00 0.00 C ATOM 698 C GLU A 45 -16.422 7.565 0.766 1.00 0.00 C ATOM 699 O GLU A 45 -17.451 7.773 1.408 1.00 0.00 O ATOM 700 CB GLU A 45 -16.031 8.138 -1.639 1.00 0.00 C ATOM 701 CG GLU A 45 -17.469 7.840 -2.032 1.00 0.00 C ATOM 702 CD GLU A 45 -18.360 9.066 -1.971 1.00 0.00 C ATOM 703 OE1 GLU A 45 -18.488 9.653 -0.876 1.00 0.00 O ATOM 704 OE2 GLU A 45 -18.928 9.439 -3.018 1.00 0.00 O ATOM 0 H GLU A 45 -13.859 8.872 -0.724 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.453 9.534 -0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.629 8.897 -2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.431 7.239 -1.779 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.488 7.433 -3.043 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.870 7.072 -1.371 1.00 0.00 H new ATOM 711 N PHE A 46 -15.726 6.437 0.867 1.00 0.00 N ATOM 712 CA PHE A 46 -16.150 5.362 1.760 1.00 0.00 C ATOM 713 C PHE A 46 -15.931 5.755 3.215 1.00 0.00 C ATOM 714 O PHE A 46 -16.797 5.550 4.065 1.00 0.00 O ATOM 715 CB PHE A 46 -15.397 4.068 1.447 1.00 0.00 C ATOM 716 CG PHE A 46 -15.802 3.428 0.147 1.00 0.00 C ATOM 717 CD1 PHE A 46 -15.630 4.090 -1.058 1.00 0.00 C ATOM 718 CD2 PHE A 46 -16.351 2.156 0.135 1.00 0.00 C ATOM 719 CE1 PHE A 46 -16.000 3.496 -2.250 1.00 0.00 C ATOM 720 CE2 PHE A 46 -16.723 1.558 -1.052 1.00 0.00 C ATOM 721 CZ PHE A 46 -16.548 2.227 -2.247 1.00 0.00 C ATOM 0 H PHE A 46 -14.871 6.243 0.346 1.00 0.00 H new ATOM 0 HA PHE A 46 -17.215 5.192 1.600 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -14.328 4.278 1.420 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -15.562 3.358 2.257 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -15.202 5.082 -1.066 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -16.490 1.626 1.066 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -15.861 4.023 -3.183 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -17.151 0.566 -1.046 1.00 0.00 H new ATOM 0 HZ PHE A 46 -16.838 1.760 -3.177 1.00 0.00 H new ATOM 731 N ASP A 47 -14.766 6.329 3.489 1.00 0.00 N ATOM 732 CA ASP A 47 -14.416 6.768 4.831 1.00 0.00 C ATOM 733 C ASP A 47 -15.489 7.698 5.388 1.00 0.00 C ATOM 734 O ASP A 47 -15.788 7.684 6.582 1.00 0.00 O ATOM 735 CB ASP A 47 -13.065 7.484 4.793 1.00 0.00 C ATOM 736 CG ASP A 47 -12.576 7.890 6.164 1.00 0.00 C ATOM 737 OD1 ASP A 47 -13.300 8.636 6.857 1.00 0.00 O ATOM 738 OD2 ASP A 47 -11.465 7.467 6.543 1.00 0.00 O ATOM 0 H ASP A 47 -14.042 6.502 2.791 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.348 5.898 5.484 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.326 6.831 4.328 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.147 8.371 4.165 1.00 0.00 H new ATOM 743 N LYS A 48 -16.057 8.511 4.504 1.00 0.00 N ATOM 744 CA LYS A 48 -17.094 9.465 4.880 1.00 0.00 C ATOM 745 C LYS A 48 -18.426 8.763 5.147 1.00 0.00 C ATOM 746 O LYS A 48 -19.075 8.999 6.166 1.00 0.00 O ATOM 747 CB LYS A 48 -17.267 10.491 3.758 1.00 0.00 C ATOM 748 CG LYS A 48 -17.729 11.855 4.240 1.00 0.00 C ATOM 749 CD LYS A 48 -19.018 11.767 5.036 1.00 0.00 C ATOM 750 CE LYS A 48 -19.388 13.113 5.627 1.00 0.00 C ATOM 751 NZ LYS A 48 -20.671 13.056 6.381 1.00 0.00 N ATOM 0 H LYS A 48 -15.814 8.528 3.514 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.787 9.963 5.799 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -16.319 10.604 3.232 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -17.988 10.108 3.036 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.951 12.305 4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.876 12.512 3.383 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -19.824 11.416 4.391 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -18.906 11.034 5.835 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -18.592 13.449 6.291 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -19.469 13.850 4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -20.888 13.996 6.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -21.436 12.760 5.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -20.586 12.372 7.159 1.00 0.00 H new ATOM 765 N LYS A 49 -18.833 7.914 4.213 1.00 0.00 N ATOM 766 CA LYS A 49 -20.099 7.191 4.324 1.00 0.00 C ATOM 767 C LYS A 49 -20.037 6.072 5.356 1.00 0.00 C ATOM 768 O LYS A 49 -20.673 6.145 6.409 1.00 0.00 O ATOM 769 CB LYS A 49 -20.496 6.609 2.968 1.00 0.00 C ATOM 770 CG LYS A 49 -20.666 7.655 1.879 1.00 0.00 C ATOM 771 CD LYS A 49 -21.143 7.030 0.578 1.00 0.00 C ATOM 772 CE LYS A 49 -21.369 8.082 -0.495 1.00 0.00 C ATOM 773 NZ LYS A 49 -22.399 9.077 -0.089 1.00 0.00 N ATOM 0 H LYS A 49 -18.305 7.706 3.366 1.00 0.00 H new ATOM 0 HA LYS A 49 -20.848 7.910 4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -19.738 5.891 2.655 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -21.430 6.058 3.079 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -21.382 8.409 2.206 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -19.718 8.166 1.712 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -20.407 6.306 0.230 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -22.069 6.483 0.754 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -20.430 8.596 -0.703 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -21.679 7.596 -1.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -22.721 9.605 -0.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -23.207 8.584 0.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -21.990 9.738 0.601 1.00 0.00 H new ATOM 787 N TYR A 50 -19.288 5.031 5.032 1.00 0.00 N ATOM 788 CA TYR A 50 -19.161 3.874 5.909 1.00 0.00 C ATOM 789 C TYR A 50 -18.387 4.208 7.183 1.00 0.00 C ATOM 790 O TYR A 50 -18.442 3.456 8.153 1.00 0.00 O ATOM 791 CB TYR A 50 -18.517 2.713 5.152 1.00 0.00 C ATOM 792 CG TYR A 50 -19.327 2.257 3.947 1.00 0.00 C ATOM 793 CD1 TYR A 50 -20.513 2.900 3.591 1.00 0.00 C ATOM 794 CD2 TYR A 50 -18.907 1.188 3.162 1.00 0.00 C ATOM 795 CE1 TYR A 50 -21.248 2.492 2.496 1.00 0.00 C ATOM 796 CE2 TYR A 50 -19.639 0.776 2.066 1.00 0.00 C ATOM 797 CZ TYR A 50 -20.808 1.431 1.736 1.00 0.00 C ATOM 798 OH TYR A 50 -21.538 1.023 0.645 1.00 0.00 O ATOM 0 H TYR A 50 -18.756 4.962 4.165 1.00 0.00 H new ATOM 0 HA TYR A 50 -20.161 3.573 6.222 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -17.522 3.012 4.821 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -18.387 1.872 5.833 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -20.863 3.733 4.183 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -17.993 0.671 3.414 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -22.164 3.002 2.237 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -19.298 -0.057 1.469 1.00 0.00 H new ATOM 0 HH TYR A 50 -21.090 0.264 0.217 1.00 0.00 H new ATOM 808 N ASN A 51 -17.678 5.344 7.170 1.00 0.00 N ATOM 809 CA ASN A 51 -16.896 5.808 8.322 1.00 0.00 C ATOM 810 C ASN A 51 -15.440 5.380 8.204 1.00 0.00 C ATOM 811 O ASN A 51 -15.137 4.306 7.683 1.00 0.00 O ATOM 812 CB ASN A 51 -17.477 5.315 9.654 1.00 0.00 C ATOM 813 CG ASN A 51 -18.941 5.673 9.815 1.00 0.00 C ATOM 814 OD1 ASN A 51 -19.312 6.847 9.784 1.00 0.00 O ATOM 815 ND2 ASN A 51 -19.783 4.660 9.991 1.00 0.00 N ATOM 0 H ASN A 51 -17.631 5.966 6.363 1.00 0.00 H new ATOM 0 HA ASN A 51 -16.949 6.897 8.315 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -17.361 4.233 9.719 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -16.908 5.747 10.477 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -20.780 4.840 10.107 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -19.432 3.702 10.010 1.00 0.00 H new ATOM 822 N PRO A 52 -14.516 6.226 8.685 1.00 0.00 N ATOM 823 CA PRO A 52 -13.082 5.945 8.628 1.00 0.00 C ATOM 824 C PRO A 52 -12.703 4.680 9.404 1.00 0.00 C ATOM 825 O PRO A 52 -13.483 4.201 10.227 1.00 0.00 O ATOM 826 CB PRO A 52 -12.439 7.177 9.286 1.00 0.00 C ATOM 827 CG PRO A 52 -13.532 7.811 10.074 1.00 0.00 C ATOM 828 CD PRO A 52 -14.795 7.528 9.315 1.00 0.00 C ATOM 0 HA PRO A 52 -12.751 5.769 7.605 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.605 6.891 9.927 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.044 7.863 8.537 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.579 7.397 11.081 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -13.369 8.884 10.177 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.661 7.480 9.975 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -15.002 8.300 8.573 1.00 0.00 H new ATOM 836 N THR A 53 -11.506 4.130 9.148 1.00 0.00 N ATOM 837 CA THR A 53 -10.566 4.681 8.176 1.00 0.00 C ATOM 838 C THR A 53 -10.266 3.658 7.091 1.00 0.00 C ATOM 839 O THR A 53 -9.962 2.502 7.387 1.00 0.00 O ATOM 840 CB THR A 53 -9.276 5.092 8.882 1.00 0.00 C ATOM 841 OG1 THR A 53 -8.414 5.784 7.996 1.00 0.00 O ATOM 842 CG2 THR A 53 -8.503 3.920 9.451 1.00 0.00 C ATOM 0 H THR A 53 -11.167 3.288 9.614 1.00 0.00 H new ATOM 0 HA THR A 53 -11.014 5.559 7.710 1.00 0.00 H new ATOM 0 HB THR A 53 -9.593 5.733 9.705 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.635 5.224 7.793 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.598 4.283 9.938 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.122 3.395 10.179 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.232 3.237 8.646 1.00 0.00 H new ATOM 850 N TRP A 54 -10.367 4.078 5.839 1.00 0.00 N ATOM 851 CA TRP A 54 -10.122 3.183 4.718 1.00 0.00 C ATOM 852 C TRP A 54 -8.715 3.316 4.161 1.00 0.00 C ATOM 853 O TRP A 54 -8.261 4.411 3.830 1.00 0.00 O ATOM 854 CB TRP A 54 -11.139 3.429 3.612 1.00 0.00 C ATOM 855 CG TRP A 54 -12.532 3.114 4.038 1.00 0.00 C ATOM 856 CD1 TRP A 54 -13.235 3.720 5.036 1.00 0.00 C ATOM 857 CD2 TRP A 54 -13.384 2.102 3.495 1.00 0.00 C ATOM 858 NE1 TRP A 54 -14.480 3.156 5.142 1.00 0.00 N ATOM 859 CE2 TRP A 54 -14.597 2.159 4.206 1.00 0.00 C ATOM 860 CE3 TRP A 54 -13.240 1.158 2.476 1.00 0.00 C ATOM 861 CZ2 TRP A 54 -15.658 1.306 3.928 1.00 0.00 C ATOM 862 CZ3 TRP A 54 -14.296 0.311 2.201 1.00 0.00 C ATOM 863 CH2 TRP A 54 -15.492 0.389 2.925 1.00 0.00 C ATOM 0 H TRP A 54 -10.616 5.031 5.574 1.00 0.00 H new ATOM 0 HA TRP A 54 -10.228 2.167 5.098 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -11.085 4.472 3.299 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -10.882 2.822 2.744 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -12.866 4.526 5.653 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -15.202 3.432 5.808 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -12.320 1.091 1.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -16.582 1.364 4.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -14.198 -0.423 1.415 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -16.300 -0.288 2.687 1.00 0.00 H new ATOM 874 N HIS A 55 -8.047 2.178 4.032 1.00 0.00 N ATOM 875 CA HIS A 55 -6.706 2.136 3.482 1.00 0.00 C ATOM 876 C HIS A 55 -6.798 1.817 1.996 1.00 0.00 C ATOM 877 O HIS A 55 -7.497 0.879 1.603 1.00 0.00 O ATOM 878 CB HIS A 55 -5.872 1.079 4.207 1.00 0.00 C ATOM 879 CG HIS A 55 -6.018 1.132 5.697 1.00 0.00 C ATOM 880 ND1 HIS A 55 -5.780 2.269 6.441 1.00 0.00 N ATOM 881 CD2 HIS A 55 -6.393 0.179 6.583 1.00 0.00 C ATOM 882 CE1 HIS A 55 -6.003 2.012 7.718 1.00 0.00 C ATOM 883 NE2 HIS A 55 -6.376 0.751 7.829 1.00 0.00 N ATOM 0 H HIS A 55 -8.418 1.268 4.304 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.219 3.102 3.618 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.165 0.090 3.855 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -4.822 1.212 3.946 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -5.479 3.168 6.064 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -6.657 -0.842 6.351 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.898 2.714 8.532 1.00 0.00 H new ATOM 892 N CYS A 56 -6.128 2.609 1.167 1.00 0.00 N ATOM 893 CA CYS A 56 -6.186 2.401 -0.274 1.00 0.00 C ATOM 894 C CYS A 56 -4.805 2.238 -0.894 1.00 0.00 C ATOM 895 O CYS A 56 -3.843 2.896 -0.499 1.00 0.00 O ATOM 896 CB CYS A 56 -6.917 3.563 -0.947 1.00 0.00 C ATOM 897 SG CYS A 56 -8.646 3.731 -0.451 1.00 0.00 S ATOM 0 H CYS A 56 -5.545 3.392 1.463 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.733 1.473 -0.439 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -6.392 4.490 -0.717 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.871 3.430 -2.028 1.00 0.00 H new ATOM 0 HG CYS A 56 -9.235 4.598 -1.219 1.00 0.00 H new ATOM 903 N ILE A 57 -4.733 1.352 -1.881 1.00 0.00 N ATOM 904 CA ILE A 57 -3.497 1.080 -2.595 1.00 0.00 C ATOM 905 C ILE A 57 -3.820 0.656 -4.023 1.00 0.00 C ATOM 906 O ILE A 57 -4.707 -0.168 -4.246 1.00 0.00 O ATOM 907 CB ILE A 57 -2.681 -0.031 -1.907 1.00 0.00 C ATOM 908 CG1 ILE A 57 -2.427 0.322 -0.441 1.00 0.00 C ATOM 909 CG2 ILE A 57 -1.366 -0.253 -2.637 1.00 0.00 C ATOM 910 CD1 ILE A 57 -1.640 -0.733 0.308 1.00 0.00 C ATOM 0 H ILE A 57 -5.530 0.804 -2.206 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.899 1.991 -2.596 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.256 -0.956 -1.944 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.889 1.268 -0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.384 0.473 0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.802 -1.041 -2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.567 -0.547 -3.667 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.785 0.670 -2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.498 -0.416 1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.187 -1.676 0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -0.668 -0.868 -0.167 1.00 0.00 H new ATOM 922 N VAL A 58 -3.112 1.228 -4.989 1.00 0.00 N ATOM 923 CA VAL A 58 -3.352 0.908 -6.390 1.00 0.00 C ATOM 924 C VAL A 58 -2.098 1.131 -7.223 1.00 0.00 C ATOM 925 O VAL A 58 -1.365 2.097 -7.014 1.00 0.00 O ATOM 926 CB VAL A 58 -4.494 1.764 -6.971 1.00 0.00 C ATOM 927 CG1 VAL A 58 -4.815 1.339 -8.396 1.00 0.00 C ATOM 928 CG2 VAL A 58 -5.731 1.679 -6.090 1.00 0.00 C ATOM 0 H VAL A 58 -2.372 1.911 -4.830 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.635 -0.144 -6.432 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.164 2.803 -6.994 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.624 1.957 -8.786 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.930 1.463 -9.021 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.121 0.293 -8.403 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.525 2.290 -6.518 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.064 0.643 -6.029 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.492 2.043 -5.091 1.00 0.00 H new ATOM 938 N GLY A 59 -1.859 0.231 -8.170 1.00 0.00 N ATOM 939 CA GLY A 59 -0.691 0.351 -9.021 1.00 0.00 C ATOM 940 C GLY A 59 -0.509 -0.842 -9.935 1.00 0.00 C ATOM 941 O GLY A 59 -1.468 -1.326 -10.536 1.00 0.00 O ATOM 0 H GLY A 59 -2.451 -0.577 -8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.777 1.255 -9.623 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.197 0.466 -8.399 1.00 0.00 H new ATOM 945 N ARG A 60 0.727 -1.320 -10.039 1.00 0.00 N ATOM 946 CA ARG A 60 1.038 -2.469 -10.888 1.00 0.00 C ATOM 947 C ARG A 60 2.354 -3.123 -10.474 1.00 0.00 C ATOM 948 O ARG A 60 3.112 -3.591 -11.320 1.00 0.00 O ATOM 949 CB ARG A 60 1.133 -2.042 -12.356 1.00 0.00 C ATOM 950 CG ARG A 60 -0.138 -1.417 -12.906 1.00 0.00 C ATOM 951 CD ARG A 60 0.020 -1.060 -14.375 1.00 0.00 C ATOM 952 NE ARG A 60 0.284 -2.237 -15.199 1.00 0.00 N ATOM 953 CZ ARG A 60 0.462 -2.195 -16.517 1.00 0.00 C ATOM 954 NH1 ARG A 60 0.406 -1.037 -17.165 1.00 0.00 N ATOM 955 NH2 ARG A 60 0.697 -3.312 -17.190 1.00 0.00 N ATOM 0 H ARG A 60 1.531 -0.931 -9.547 1.00 0.00 H new ATOM 0 HA ARG A 60 0.231 -3.191 -10.767 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.951 -1.329 -12.463 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.387 -2.913 -12.960 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.970 -2.110 -12.784 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.383 -0.521 -12.335 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.886 -0.566 -14.728 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.837 -0.347 -14.489 1.00 0.00 H new ATOM 0 HE ARG A 60 0.335 -3.145 -14.737 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.226 -0.174 -16.652 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.543 -1.011 -18.175 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.741 -4.204 -16.698 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.833 -3.280 -18.200 1.00 0.00 H new ATOM 969 N ASN A 61 2.610 -3.151 -9.170 1.00 0.00 N ATOM 970 CA ASN A 61 3.830 -3.743 -8.617 1.00 0.00 C ATOM 971 C ASN A 61 4.045 -3.241 -7.197 1.00 0.00 C ATOM 972 O ASN A 61 4.768 -2.268 -6.981 1.00 0.00 O ATOM 973 CB ASN A 61 5.061 -3.398 -9.471 1.00 0.00 C ATOM 974 CG ASN A 61 6.360 -3.991 -8.937 1.00 0.00 C ATOM 975 OD1 ASN A 61 7.443 -3.632 -9.399 1.00 0.00 O ATOM 976 ND2 ASN A 61 6.270 -4.918 -7.985 1.00 0.00 N ATOM 0 H ASN A 61 1.981 -2.766 -8.466 1.00 0.00 H new ATOM 0 HA ASN A 61 3.707 -4.826 -8.617 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.899 -3.756 -10.488 1.00 0.00 H new ATOM 0 HB3 ASN A 61 5.162 -2.314 -9.527 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.115 -5.354 -7.616 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.356 -5.192 -7.625 1.00 0.00 H new ATOM 983 N PHE A 62 3.405 -3.886 -6.230 1.00 0.00 N ATOM 984 CA PHE A 62 3.537 -3.458 -4.844 1.00 0.00 C ATOM 985 C PHE A 62 3.270 -4.576 -3.845 1.00 0.00 C ATOM 986 O PHE A 62 2.230 -5.234 -3.882 1.00 0.00 O ATOM 987 CB PHE A 62 2.570 -2.310 -4.568 1.00 0.00 C ATOM 988 CG PHE A 62 1.126 -2.704 -4.687 1.00 0.00 C ATOM 989 CD1 PHE A 62 0.603 -3.114 -5.903 1.00 0.00 C ATOM 990 CD2 PHE A 62 0.292 -2.668 -3.582 1.00 0.00 C ATOM 991 CE1 PHE A 62 -0.724 -3.482 -6.013 1.00 0.00 C ATOM 992 CE2 PHE A 62 -1.037 -3.034 -3.686 1.00 0.00 C ATOM 993 CZ PHE A 62 -1.545 -3.442 -4.904 1.00 0.00 C ATOM 0 H PHE A 62 2.799 -4.694 -6.376 1.00 0.00 H new ATOM 0 HA PHE A 62 4.571 -3.141 -4.712 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.752 -1.925 -3.565 1.00 0.00 H new ATOM 0 HB3 PHE A 62 2.775 -1.497 -5.264 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.240 -3.146 -6.775 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.685 -2.350 -2.627 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.119 -3.801 -6.966 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.677 -3.001 -2.817 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.583 -3.729 -4.988 1.00 0.00 H new ATOM 1003 N GLY A 63 4.204 -4.739 -2.917 1.00 0.00 N ATOM 1004 CA GLY A 63 4.054 -5.726 -1.864 1.00 0.00 C ATOM 1005 C GLY A 63 3.683 -5.039 -0.567 1.00 0.00 C ATOM 1006 O GLY A 63 4.252 -3.997 -0.245 1.00 0.00 O ATOM 0 H GLY A 63 5.069 -4.201 -2.875 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.285 -6.448 -2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.983 -6.282 -1.739 1.00 0.00 H new ATOM 1010 N SER A 64 2.715 -5.571 0.170 1.00 0.00 N ATOM 1011 CA SER A 64 2.301 -4.913 1.406 1.00 0.00 C ATOM 1012 C SER A 64 1.685 -5.861 2.427 1.00 0.00 C ATOM 1013 O SER A 64 1.111 -6.896 2.088 1.00 0.00 O ATOM 1014 CB SER A 64 1.305 -3.798 1.089 1.00 0.00 C ATOM 1015 OG SER A 64 0.826 -3.191 2.276 1.00 0.00 O ATOM 0 H SER A 64 2.214 -6.430 -0.056 1.00 0.00 H new ATOM 0 HA SER A 64 3.208 -4.510 1.856 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.783 -3.047 0.460 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.468 -4.204 0.521 1.00 0.00 H new ATOM 0 HG SER A 64 1.572 -3.054 2.897 1.00 0.00 H new ATOM 1021 N TYR A 65 1.800 -5.453 3.690 1.00 0.00 N ATOM 1022 CA TYR A 65 1.254 -6.193 4.818 1.00 0.00 C ATOM 1023 C TYR A 65 0.615 -5.193 5.779 1.00 0.00 C ATOM 1024 O TYR A 65 1.221 -4.175 6.112 1.00 0.00 O ATOM 1025 CB TYR A 65 2.360 -6.987 5.518 1.00 0.00 C ATOM 1026 CG TYR A 65 1.849 -7.975 6.542 1.00 0.00 C ATOM 1027 CD1 TYR A 65 0.986 -9.001 6.175 1.00 0.00 C ATOM 1028 CD2 TYR A 65 2.238 -7.890 7.871 1.00 0.00 C ATOM 1029 CE1 TYR A 65 0.523 -9.910 7.106 1.00 0.00 C ATOM 1030 CE2 TYR A 65 1.779 -8.796 8.808 1.00 0.00 C ATOM 1031 CZ TYR A 65 0.924 -9.805 8.422 1.00 0.00 C ATOM 1032 OH TYR A 65 0.469 -10.708 9.354 1.00 0.00 O ATOM 0 H TYR A 65 2.279 -4.593 3.957 1.00 0.00 H new ATOM 0 HA TYR A 65 0.504 -6.905 4.474 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.940 -7.524 4.767 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.040 -6.290 6.008 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.672 -9.089 5.145 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.911 -7.103 8.178 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.150 -10.699 6.805 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.089 -8.713 9.839 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.060 -11.401 8.907 1.00 0.00 H new ATOM 1042 N VAL A 66 -0.624 -5.450 6.180 1.00 0.00 N ATOM 1043 CA VAL A 66 -1.347 -4.525 7.051 1.00 0.00 C ATOM 1044 C VAL A 66 -2.409 -5.247 7.881 1.00 0.00 C ATOM 1045 O VAL A 66 -2.803 -6.354 7.552 1.00 0.00 O ATOM 1046 CB VAL A 66 -2.045 -3.441 6.195 1.00 0.00 C ATOM 1047 CG1 VAL A 66 -2.596 -2.324 7.057 1.00 0.00 C ATOM 1048 CG2 VAL A 66 -1.094 -2.887 5.144 1.00 0.00 C ATOM 0 H VAL A 66 -1.148 -6.285 5.919 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.621 -4.074 7.727 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.885 -3.914 5.686 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.079 -1.580 6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.324 -2.731 7.759 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.782 -1.856 7.610 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.606 -2.127 4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.228 -2.443 5.635 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.766 -3.694 4.489 1.00 0.00 H new ATOM 1058 N THR A 67 -2.874 -4.604 8.951 1.00 0.00 N ATOM 1059 CA THR A 67 -3.912 -5.179 9.814 1.00 0.00 C ATOM 1060 C THR A 67 -5.225 -4.431 9.608 1.00 0.00 C ATOM 1061 O THR A 67 -5.223 -3.269 9.204 1.00 0.00 O ATOM 1062 CB THR A 67 -3.488 -5.113 11.282 1.00 0.00 C ATOM 1063 OG1 THR A 67 -2.280 -5.824 11.489 1.00 0.00 O ATOM 1064 CG2 THR A 67 -4.522 -5.680 12.230 1.00 0.00 C ATOM 0 H THR A 67 -2.549 -3.682 9.244 1.00 0.00 H new ATOM 0 HA THR A 67 -4.052 -6.226 9.546 1.00 0.00 H new ATOM 0 HB THR A 67 -3.363 -4.052 11.498 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.025 -5.768 12.434 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.158 -5.602 13.254 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.452 -5.120 12.132 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.702 -6.727 11.988 1.00 0.00 H new ATOM 1072 N HIS A 68 -6.350 -5.101 9.854 1.00 0.00 N ATOM 1073 CA HIS A 68 -7.651 -4.473 9.653 1.00 0.00 C ATOM 1074 C HIS A 68 -8.788 -5.294 10.260 1.00 0.00 C ATOM 1075 O HIS A 68 -8.752 -6.522 10.262 1.00 0.00 O ATOM 1076 CB HIS A 68 -7.883 -4.302 8.159 1.00 0.00 C ATOM 1077 CG HIS A 68 -7.717 -5.583 7.413 1.00 0.00 C ATOM 1078 ND1 HIS A 68 -8.667 -6.581 7.411 1.00 0.00 N ATOM 1079 CD2 HIS A 68 -6.679 -6.054 6.686 1.00 0.00 C ATOM 1080 CE1 HIS A 68 -8.220 -7.610 6.716 1.00 0.00 C ATOM 1081 NE2 HIS A 68 -7.016 -7.316 6.263 1.00 0.00 N ATOM 0 H HIS A 68 -6.386 -6.064 10.188 1.00 0.00 H new ATOM 0 HA HIS A 68 -7.646 -3.507 10.158 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -8.887 -3.913 7.991 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -7.185 -3.562 7.767 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -9.574 -6.532 7.874 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.756 -5.534 6.477 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -8.750 -8.536 6.547 1.00 0.00 H new ATOM 1090 N GLU A 69 -9.798 -4.594 10.768 1.00 0.00 N ATOM 1091 CA GLU A 69 -10.961 -5.230 11.378 1.00 0.00 C ATOM 1092 C GLU A 69 -11.645 -6.195 10.404 1.00 0.00 C ATOM 1093 O GLU A 69 -11.468 -6.099 9.191 1.00 0.00 O ATOM 1094 CB GLU A 69 -11.946 -4.161 11.852 1.00 0.00 C ATOM 1095 CG GLU A 69 -13.207 -4.718 12.485 1.00 0.00 C ATOM 1096 CD GLU A 69 -12.925 -5.526 13.736 1.00 0.00 C ATOM 1097 OE1 GLU A 69 -12.359 -4.959 14.695 1.00 0.00 O ATOM 1098 OE2 GLU A 69 -13.271 -6.727 13.759 1.00 0.00 O ATOM 0 H GLU A 69 -9.834 -3.575 10.769 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.623 -5.812 12.235 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.445 -3.515 12.573 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.224 -3.536 11.003 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.878 -3.896 12.732 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.725 -5.346 11.761 1.00 0.00 H new ATOM 1105 N THR A 70 -12.416 -7.130 10.953 1.00 0.00 N ATOM 1106 CA THR A 70 -13.125 -8.130 10.151 1.00 0.00 C ATOM 1107 C THR A 70 -14.032 -7.492 9.100 1.00 0.00 C ATOM 1108 O THR A 70 -14.552 -6.393 9.292 1.00 0.00 O ATOM 1109 CB THR A 70 -13.957 -9.041 11.059 1.00 0.00 C ATOM 1110 OG1 THR A 70 -14.906 -8.285 11.789 1.00 0.00 O ATOM 1111 CG2 THR A 70 -13.125 -9.819 12.055 1.00 0.00 C ATOM 0 H THR A 70 -12.568 -7.218 11.958 1.00 0.00 H new ATOM 0 HA THR A 70 -12.369 -8.715 9.627 1.00 0.00 H new ATOM 0 HB THR A 70 -14.444 -9.749 10.389 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.444 -7.743 12.463 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.778 -10.443 12.665 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.414 -10.450 11.521 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.583 -9.125 12.697 1.00 0.00 H new ATOM 1119 N LYS A 71 -14.220 -8.205 7.988 1.00 0.00 N ATOM 1120 CA LYS A 71 -15.067 -7.739 6.890 1.00 0.00 C ATOM 1121 C LYS A 71 -14.546 -6.441 6.285 1.00 0.00 C ATOM 1122 O LYS A 71 -15.298 -5.699 5.655 1.00 0.00 O ATOM 1123 CB LYS A 71 -16.505 -7.546 7.376 1.00 0.00 C ATOM 1124 CG LYS A 71 -17.198 -8.846 7.751 1.00 0.00 C ATOM 1125 CD LYS A 71 -17.276 -9.795 6.566 1.00 0.00 C ATOM 1126 CE LYS A 71 -17.998 -11.082 6.927 1.00 0.00 C ATOM 1127 NZ LYS A 71 -18.077 -12.019 5.774 1.00 0.00 N ATOM 0 H LYS A 71 -13.792 -9.116 7.824 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.045 -8.503 6.113 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -16.502 -6.883 8.241 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -17.080 -7.049 6.595 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.658 -9.325 8.568 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -18.203 -8.632 8.115 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.794 -9.306 5.741 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -16.269 -10.027 6.218 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -17.481 -11.568 7.754 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -19.005 -10.848 7.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -18.577 -12.884 6.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -18.593 -11.566 4.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -17.117 -12.263 5.459 1.00 0.00 H new ATOM 1141 N HIS A 72 -13.256 -6.186 6.462 1.00 0.00 N ATOM 1142 CA HIS A 72 -12.634 -4.983 5.921 1.00 0.00 C ATOM 1143 C HIS A 72 -11.415 -5.349 5.078 1.00 0.00 C ATOM 1144 O HIS A 72 -10.282 -5.053 5.456 1.00 0.00 O ATOM 1145 CB HIS A 72 -12.209 -4.036 7.046 1.00 0.00 C ATOM 1146 CG HIS A 72 -13.336 -3.546 7.908 1.00 0.00 C ATOM 1147 ND1 HIS A 72 -13.130 -2.806 9.052 1.00 0.00 N ATOM 1148 CD2 HIS A 72 -14.679 -3.679 7.788 1.00 0.00 C ATOM 1149 CE1 HIS A 72 -14.294 -2.508 9.601 1.00 0.00 C ATOM 1150 NE2 HIS A 72 -15.249 -3.024 8.853 1.00 0.00 N ATOM 0 H HIS A 72 -12.620 -6.796 6.976 1.00 0.00 H new ATOM 0 HA HIS A 72 -13.369 -4.478 5.294 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.481 -4.546 7.677 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -11.703 -3.176 6.608 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -15.204 -4.202 7.002 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -14.438 -1.939 10.508 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -16.250 -2.949 9.035 1.00 0.00 H new ATOM 1159 N PHE A 73 -11.646 -6.006 3.946 1.00 0.00 N ATOM 1160 CA PHE A 73 -10.552 -6.413 3.072 1.00 0.00 C ATOM 1161 C PHE A 73 -11.053 -6.711 1.663 1.00 0.00 C ATOM 1162 O PHE A 73 -12.043 -7.421 1.481 1.00 0.00 O ATOM 1163 CB PHE A 73 -9.841 -7.637 3.670 1.00 0.00 C ATOM 1164 CG PHE A 73 -8.843 -8.300 2.756 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -9.253 -8.954 1.604 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -7.493 -8.269 3.056 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -8.335 -9.561 0.769 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -6.568 -8.875 2.226 1.00 0.00 C ATOM 1169 CZ PHE A 73 -6.990 -9.520 1.081 1.00 0.00 C ATOM 0 H PHE A 73 -12.575 -6.267 3.614 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.841 -5.590 2.998 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.329 -7.332 4.583 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.593 -8.372 3.957 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -10.304 -8.989 1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.157 -7.765 3.950 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.668 -10.066 -0.125 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.517 -8.844 2.473 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.269 -9.992 0.430 1.00 0.00 H new ATOM 1179 N ILE A 74 -10.358 -6.164 0.668 1.00 0.00 N ATOM 1180 CA ILE A 74 -10.728 -6.374 -0.727 1.00 0.00 C ATOM 1181 C ILE A 74 -9.575 -6.022 -1.664 1.00 0.00 C ATOM 1182 O ILE A 74 -8.859 -5.045 -1.453 1.00 0.00 O ATOM 1183 CB ILE A 74 -11.969 -5.544 -1.112 1.00 0.00 C ATOM 1184 CG1 ILE A 74 -12.366 -5.815 -2.566 1.00 0.00 C ATOM 1185 CG2 ILE A 74 -11.705 -4.062 -0.897 1.00 0.00 C ATOM 1186 CD1 ILE A 74 -13.588 -5.042 -3.013 1.00 0.00 C ATOM 0 H ILE A 74 -9.537 -5.573 0.803 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.965 -7.433 -0.835 1.00 0.00 H new ATOM 0 HB ILE A 74 -12.797 -5.843 -0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -11.528 -5.562 -3.216 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -12.555 -6.881 -2.690 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -12.591 -3.491 -1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.471 -3.883 0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -10.864 -3.749 -1.515 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -13.811 -5.283 -4.052 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -14.439 -5.312 -2.387 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -13.396 -3.973 -2.922 1.00 0.00 H new ATOM 1198 N TYR A 75 -9.411 -6.835 -2.703 1.00 0.00 N ATOM 1199 CA TYR A 75 -8.358 -6.635 -3.693 1.00 0.00 C ATOM 1200 C TYR A 75 -8.794 -7.221 -5.032 1.00 0.00 C ATOM 1201 O TYR A 75 -9.362 -8.312 -5.080 1.00 0.00 O ATOM 1202 CB TYR A 75 -7.059 -7.294 -3.223 1.00 0.00 C ATOM 1203 CG TYR A 75 -5.906 -7.112 -4.184 1.00 0.00 C ATOM 1204 CD1 TYR A 75 -5.502 -5.844 -4.581 1.00 0.00 C ATOM 1205 CD2 TYR A 75 -5.224 -8.209 -4.693 1.00 0.00 C ATOM 1206 CE1 TYR A 75 -4.449 -5.674 -5.460 1.00 0.00 C ATOM 1207 CE2 TYR A 75 -4.169 -8.046 -5.572 1.00 0.00 C ATOM 1208 CZ TYR A 75 -3.787 -6.777 -5.953 1.00 0.00 C ATOM 1209 OH TYR A 75 -2.740 -6.611 -6.832 1.00 0.00 O ATOM 0 H TYR A 75 -10.001 -7.647 -2.882 1.00 0.00 H new ATOM 0 HA TYR A 75 -8.180 -5.566 -3.814 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -6.782 -6.880 -2.253 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.234 -8.360 -3.077 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -6.019 -4.977 -4.197 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -5.522 -9.204 -4.398 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.147 -4.681 -5.759 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.647 -8.909 -5.958 1.00 0.00 H new ATOM 0 HH TYR A 75 -3.059 -6.744 -7.749 1.00 0.00 H new ATOM 1219 N PHE A 76 -8.555 -6.489 -6.117 1.00 0.00 N ATOM 1220 CA PHE A 76 -8.963 -6.955 -7.438 1.00 0.00 C ATOM 1221 C PHE A 76 -8.359 -6.102 -8.556 1.00 0.00 C ATOM 1222 O PHE A 76 -8.267 -4.881 -8.441 1.00 0.00 O ATOM 1223 CB PHE A 76 -10.491 -6.935 -7.532 1.00 0.00 C ATOM 1224 CG PHE A 76 -11.087 -5.568 -7.340 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -10.939 -4.890 -6.140 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -11.796 -4.961 -8.364 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -11.485 -3.632 -5.967 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -12.344 -3.704 -8.197 1.00 0.00 C ATOM 1229 CZ PHE A 76 -12.189 -3.039 -6.996 1.00 0.00 C ATOM 0 H PHE A 76 -8.087 -5.583 -6.109 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.593 -7.972 -7.568 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.792 -7.320 -8.506 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.902 -7.610 -6.782 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.391 -5.350 -5.331 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.922 -5.477 -9.304 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.361 -3.113 -5.028 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.893 -3.242 -9.004 1.00 0.00 H new ATOM 0 HZ PHE A 76 -12.618 -2.057 -6.862 1.00 0.00 H new ATOM 1239 N TYR A 77 -7.954 -6.764 -9.642 1.00 0.00 N ATOM 1240 CA TYR A 77 -7.364 -6.078 -10.793 1.00 0.00 C ATOM 1241 C TYR A 77 -8.442 -5.608 -11.764 1.00 0.00 C ATOM 1242 O TYR A 77 -9.556 -6.131 -11.766 1.00 0.00 O ATOM 1243 CB TYR A 77 -6.381 -6.995 -11.526 1.00 0.00 C ATOM 1244 CG TYR A 77 -5.136 -7.324 -10.734 1.00 0.00 C ATOM 1245 CD1 TYR A 77 -5.211 -8.028 -9.538 1.00 0.00 C ATOM 1246 CD2 TYR A 77 -3.882 -6.931 -11.187 1.00 0.00 C ATOM 1247 CE1 TYR A 77 -4.071 -8.331 -8.818 1.00 0.00 C ATOM 1248 CE2 TYR A 77 -2.738 -7.230 -10.472 1.00 0.00 C ATOM 1249 CZ TYR A 77 -2.839 -7.929 -9.288 1.00 0.00 C ATOM 1250 OH TYR A 77 -1.703 -8.231 -8.572 1.00 0.00 O ATOM 0 H TYR A 77 -8.024 -7.776 -9.748 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.828 -5.207 -10.415 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.890 -7.923 -11.784 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.088 -6.521 -12.463 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -6.175 -8.343 -9.166 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -3.800 -6.383 -12.114 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -4.145 -8.880 -7.891 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.771 -6.918 -10.838 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.814 -7.937 -7.644 1.00 0.00 H new ATOM 1260 N LEU A 78 -8.103 -4.623 -12.595 1.00 0.00 N ATOM 1261 CA LEU A 78 -9.047 -4.093 -13.576 1.00 0.00 C ATOM 1262 C LEU A 78 -8.343 -3.247 -14.637 1.00 0.00 C ATOM 1263 O LEU A 78 -7.503 -2.404 -14.319 1.00 0.00 O ATOM 1264 CB LEU A 78 -10.125 -3.258 -12.880 1.00 0.00 C ATOM 1265 CG LEU A 78 -11.157 -2.611 -13.814 1.00 0.00 C ATOM 1266 CD1 LEU A 78 -11.745 -3.639 -14.770 1.00 0.00 C ATOM 1267 CD2 LEU A 78 -12.269 -1.950 -13.009 1.00 0.00 C ATOM 0 H LEU A 78 -7.185 -4.178 -12.608 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.512 -4.943 -14.075 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.651 -3.894 -12.169 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.637 -2.472 -12.304 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.646 -1.847 -14.400 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -12.473 -3.156 -15.421 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.948 -4.071 -15.375 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.235 -4.428 -14.199 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.991 -1.497 -13.689 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -12.769 -2.700 -12.396 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.844 -1.180 -12.366 1.00 0.00 H new ATOM 1279 N GLY A 79 -8.698 -3.490 -15.900 1.00 0.00 N ATOM 1280 CA GLY A 79 -8.110 -2.761 -17.009 1.00 0.00 C ATOM 1281 C GLY A 79 -6.648 -3.087 -17.191 1.00 0.00 C ATOM 1282 O GLY A 79 -6.253 -3.675 -18.198 1.00 0.00 O ATOM 0 H GLY A 79 -9.390 -4.187 -16.173 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.651 -2.998 -17.925 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.224 -1.690 -16.840 1.00 0.00 H new ATOM 1286 N GLN A 80 -5.850 -2.717 -16.204 1.00 0.00 N ATOM 1287 CA GLN A 80 -4.422 -2.980 -16.233 1.00 0.00 C ATOM 1288 C GLN A 80 -3.759 -2.431 -14.977 1.00 0.00 C ATOM 1289 O GLN A 80 -2.630 -1.940 -15.022 1.00 0.00 O ATOM 1290 CB GLN A 80 -3.783 -2.362 -17.478 1.00 0.00 C ATOM 1291 CG GLN A 80 -3.962 -0.856 -17.568 1.00 0.00 C ATOM 1292 CD GLN A 80 -3.318 -0.263 -18.807 1.00 0.00 C ATOM 1293 OE1 GLN A 80 -2.110 -0.380 -19.009 1.00 0.00 O ATOM 1294 NE2 GLN A 80 -4.125 0.377 -19.645 1.00 0.00 N ATOM 0 H GLN A 80 -6.170 -2.230 -15.367 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.273 -4.059 -16.268 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -2.718 -2.594 -17.483 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -4.214 -2.825 -18.366 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -5.026 -0.620 -17.568 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.532 -0.390 -16.681 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.121 0.450 -19.438 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -3.749 0.795 -20.496 1.00 0.00 H new ATOM 1303 N VAL A 81 -4.470 -2.519 -13.859 1.00 0.00 N ATOM 1304 CA VAL A 81 -3.961 -2.031 -12.584 1.00 0.00 C ATOM 1305 C VAL A 81 -4.681 -2.696 -11.420 1.00 0.00 C ATOM 1306 O VAL A 81 -5.904 -2.850 -11.439 1.00 0.00 O ATOM 1307 CB VAL A 81 -4.117 -0.501 -12.462 1.00 0.00 C ATOM 1308 CG1 VAL A 81 -3.248 0.213 -13.484 1.00 0.00 C ATOM 1309 CG2 VAL A 81 -5.574 -0.097 -12.621 1.00 0.00 C ATOM 0 H VAL A 81 -5.404 -2.926 -13.810 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.901 -2.283 -12.548 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.785 -0.203 -11.467 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.374 1.291 -13.379 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.203 -0.048 -13.318 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.543 -0.091 -14.488 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.663 0.986 -12.532 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.934 -0.411 -13.601 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.171 -0.575 -11.845 1.00 0.00 H new ATOM 1319 N ALA A 82 -3.919 -3.098 -10.413 1.00 0.00 N ATOM 1320 CA ALA A 82 -4.485 -3.750 -9.241 1.00 0.00 C ATOM 1321 C ALA A 82 -4.956 -2.727 -8.213 1.00 0.00 C ATOM 1322 O ALA A 82 -4.200 -1.839 -7.815 1.00 0.00 O ATOM 1323 CB ALA A 82 -3.465 -4.694 -8.622 1.00 0.00 C ATOM 0 H ALA A 82 -2.906 -2.984 -10.384 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.353 -4.327 -9.560 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.900 -5.176 -7.746 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.183 -5.453 -9.351 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.581 -4.130 -8.324 1.00 0.00 H new ATOM 1329 N ILE A 83 -6.205 -2.864 -7.777 1.00 0.00 N ATOM 1330 CA ILE A 83 -6.769 -1.958 -6.783 1.00 0.00 C ATOM 1331 C ILE A 83 -6.969 -2.676 -5.453 1.00 0.00 C ATOM 1332 O ILE A 83 -7.445 -3.810 -5.413 1.00 0.00 O ATOM 1333 CB ILE A 83 -8.116 -1.357 -7.242 1.00 0.00 C ATOM 1334 CG1 ILE A 83 -7.945 -0.592 -8.557 1.00 0.00 C ATOM 1335 CG2 ILE A 83 -8.687 -0.441 -6.168 1.00 0.00 C ATOM 1336 CD1 ILE A 83 -7.769 -1.488 -9.761 1.00 0.00 C ATOM 0 H ILE A 83 -6.844 -3.592 -8.096 1.00 0.00 H new ATOM 0 HA ILE A 83 -6.055 -1.144 -6.660 1.00 0.00 H new ATOM 0 HB ILE A 83 -8.816 -2.176 -7.407 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -8.816 0.045 -8.713 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -7.080 0.066 -8.475 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -9.636 -0.027 -6.510 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -8.848 -1.010 -5.252 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.987 0.371 -5.972 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.654 -0.876 -10.656 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.882 -2.107 -9.628 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.645 -2.128 -9.869 1.00 0.00 H new ATOM 1348 N LEU A 84 -6.601 -2.006 -4.368 1.00 0.00 N ATOM 1349 CA LEU A 84 -6.738 -2.574 -3.032 1.00 0.00 C ATOM 1350 C LEU A 84 -7.492 -1.620 -2.114 1.00 0.00 C ATOM 1351 O LEU A 84 -7.345 -0.402 -2.215 1.00 0.00 O ATOM 1352 CB LEU A 84 -5.361 -2.886 -2.445 1.00 0.00 C ATOM 1353 CG LEU A 84 -5.373 -3.456 -1.025 1.00 0.00 C ATOM 1354 CD1 LEU A 84 -6.131 -4.776 -0.983 1.00 0.00 C ATOM 1355 CD2 LEU A 84 -3.952 -3.639 -0.513 1.00 0.00 C ATOM 0 H LEU A 84 -6.204 -1.066 -4.387 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.308 -3.500 -3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.857 -3.596 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.767 -1.972 -2.448 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.885 -2.747 -0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.128 -5.165 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.159 -4.616 -1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.649 -5.494 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.979 -4.045 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.416 -4.327 -1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.442 -2.676 -0.504 1.00 0.00 H new ATOM 1367 N LEU A 85 -8.305 -2.178 -1.225 1.00 0.00 N ATOM 1368 CA LEU A 85 -9.085 -1.370 -0.297 1.00 0.00 C ATOM 1369 C LEU A 85 -9.436 -2.161 0.958 1.00 0.00 C ATOM 1370 O LEU A 85 -9.719 -3.361 0.896 1.00 0.00 O ATOM 1371 CB LEU A 85 -10.362 -0.870 -0.974 1.00 0.00 C ATOM 1372 CG LEU A 85 -11.237 0.035 -0.107 1.00 0.00 C ATOM 1373 CD1 LEU A 85 -10.460 1.269 0.328 1.00 0.00 C ATOM 1374 CD2 LEU A 85 -12.500 0.430 -0.858 1.00 0.00 C ATOM 0 H LEU A 85 -8.441 -3.184 -1.128 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.478 -0.514 -0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -10.088 -0.328 -1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.952 -1.732 -1.285 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.529 -0.517 0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -11.098 1.902 0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.586 0.964 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.138 1.826 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -13.112 1.074 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -12.230 0.965 -1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -13.064 -0.466 -1.117 1.00 0.00 H new ATOM 1386 N PHE A 86 -9.410 -1.477 2.099 1.00 0.00 N ATOM 1387 CA PHE A 86 -9.723 -2.108 3.376 1.00 0.00 C ATOM 1388 C PHE A 86 -9.715 -1.085 4.510 1.00 0.00 C ATOM 1389 O PHE A 86 -8.729 -0.379 4.715 1.00 0.00 O ATOM 1390 CB PHE A 86 -8.727 -3.232 3.671 1.00 0.00 C ATOM 1391 CG PHE A 86 -7.295 -2.784 3.753 1.00 0.00 C ATOM 1392 CD1 PHE A 86 -6.642 -2.272 2.641 1.00 0.00 C ATOM 1393 CD2 PHE A 86 -6.601 -2.882 4.945 1.00 0.00 C ATOM 1394 CE1 PHE A 86 -5.324 -1.866 2.721 1.00 0.00 C ATOM 1395 CE2 PHE A 86 -5.283 -2.477 5.032 1.00 0.00 C ATOM 1396 CZ PHE A 86 -4.643 -1.968 3.919 1.00 0.00 C ATOM 0 H PHE A 86 -9.175 -0.486 2.164 1.00 0.00 H new ATOM 0 HA PHE A 86 -10.725 -2.532 3.307 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -9.001 -3.707 4.613 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -8.814 -3.992 2.894 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -7.170 -2.190 1.702 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.095 -3.280 5.819 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.826 -1.469 1.848 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.753 -2.558 5.970 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.613 -1.650 3.985 1.00 0.00 H new ATOM 1406 N LYS A 87 -10.827 -1.009 5.240 1.00 0.00 N ATOM 1407 CA LYS A 87 -10.957 -0.066 6.348 1.00 0.00 C ATOM 1408 C LYS A 87 -10.586 -0.704 7.683 1.00 0.00 C ATOM 1409 O LYS A 87 -10.393 -1.915 7.777 1.00 0.00 O ATOM 1410 CB LYS A 87 -12.380 0.489 6.427 1.00 0.00 C ATOM 1411 CG LYS A 87 -13.424 -0.561 6.771 1.00 0.00 C ATOM 1412 CD LYS A 87 -14.785 0.063 7.031 1.00 0.00 C ATOM 1413 CE LYS A 87 -14.757 0.991 8.236 1.00 0.00 C ATOM 1414 NZ LYS A 87 -16.096 1.576 8.519 1.00 0.00 N ATOM 0 H LYS A 87 -11.651 -1.590 5.083 1.00 0.00 H new ATOM 0 HA LYS A 87 -10.261 0.750 6.152 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.412 1.280 7.176 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -12.637 0.945 5.471 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.503 -1.278 5.953 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.104 -1.117 7.652 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.104 0.620 6.150 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.521 -0.724 7.195 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -14.410 0.440 9.110 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.041 1.793 8.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.091 2.588 8.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.816 1.087 7.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.318 1.462 9.529 1.00 0.00 H new ATOM 1428 N SER A 88 -10.489 0.132 8.713 1.00 0.00 N ATOM 1429 CA SER A 88 -10.145 -0.334 10.051 1.00 0.00 C ATOM 1430 C SER A 88 -10.749 0.583 11.111 1.00 0.00 C ATOM 1431 O SER A 88 -10.658 1.807 11.016 1.00 0.00 O ATOM 1432 CB SER A 88 -8.627 -0.379 10.217 1.00 0.00 C ATOM 1433 OG SER A 88 -8.036 -1.259 9.277 1.00 0.00 O ATOM 0 H SER A 88 -10.644 1.138 8.645 1.00 0.00 H new ATOM 0 HA SER A 88 -10.552 -1.337 10.180 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.215 0.622 10.091 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.378 -0.702 11.228 1.00 0.00 H new ATOM 0 HG SER A 88 -7.375 -0.771 8.742 1.00 0.00 H new ATOM 1536 N ALA B 6 19.590 3.269 2.778 1.00 0.00 N ATOM 1537 CA ALA B 6 18.239 3.773 2.553 1.00 0.00 C ATOM 1538 C ALA B 6 18.154 5.281 2.769 1.00 0.00 C ATOM 1539 O ALA B 6 18.647 5.802 3.769 1.00 0.00 O ATOM 1540 CB ALA B 6 17.259 3.065 3.476 1.00 0.00 C ATOM 0 HA ALA B 6 17.979 3.569 1.514 1.00 0.00 H new ATOM 0 HB1 ALA B 6 16.253 3.447 3.301 1.00 0.00 H new ATOM 0 HB2 ALA B 6 17.280 1.994 3.276 1.00 0.00 H new ATOM 0 HB3 ALA B 6 17.541 3.246 4.513 1.00 0.00 H new ATOM 1546 N VAL B 7 17.523 5.977 1.827 1.00 0.00 N ATOM 1547 CA VAL B 7 17.374 7.415 1.920 1.00 0.00 C ATOM 1548 C VAL B 7 15.988 7.805 2.419 1.00 0.00 C ATOM 1549 O VAL B 7 14.980 7.248 1.988 1.00 0.00 O ATOM 1550 CB VAL B 7 17.616 8.087 0.568 1.00 0.00 C ATOM 1551 CG1 VAL B 7 19.069 7.941 0.143 1.00 0.00 C ATOM 1552 CG2 VAL B 7 16.683 7.519 -0.491 1.00 0.00 C ATOM 0 H VAL B 7 17.109 5.562 0.992 1.00 0.00 H new ATOM 0 HA VAL B 7 18.121 7.758 2.636 1.00 0.00 H new ATOM 0 HB VAL B 7 17.401 9.150 0.675 1.00 0.00 H new ATOM 0 HG11 VAL B 7 19.217 8.427 -0.821 1.00 0.00 H new ATOM 0 HG12 VAL B 7 19.714 8.408 0.887 1.00 0.00 H new ATOM 0 HG13 VAL B 7 19.319 6.883 0.058 1.00 0.00 H new ATOM 0 HG21 VAL B 7 16.873 8.011 -1.445 1.00 0.00 H new ATOM 0 HG22 VAL B 7 16.859 6.448 -0.594 1.00 0.00 H new ATOM 0 HG23 VAL B 7 15.648 7.690 -0.194 1.00 0.00 H new ATOM 1562 N ILE B 8 15.954 8.776 3.322 1.00 0.00 N ATOM 1563 CA ILE B 8 14.696 9.258 3.887 1.00 0.00 C ATOM 1564 C ILE B 8 14.057 10.308 2.981 1.00 0.00 C ATOM 1565 O ILE B 8 14.748 11.140 2.393 1.00 0.00 O ATOM 1566 CB ILE B 8 14.898 9.853 5.300 1.00 0.00 C ATOM 1567 CG1 ILE B 8 15.368 8.771 6.277 1.00 0.00 C ATOM 1568 CG2 ILE B 8 13.610 10.493 5.803 1.00 0.00 C ATOM 1569 CD1 ILE B 8 16.710 8.167 5.924 1.00 0.00 C ATOM 0 H ILE B 8 16.784 9.248 3.681 1.00 0.00 H new ATOM 0 HA ILE B 8 14.031 8.397 3.964 1.00 0.00 H new ATOM 0 HB ILE B 8 15.666 10.624 5.238 1.00 0.00 H new ATOM 0 HG12 ILE B 8 15.425 9.199 7.278 1.00 0.00 H new ATOM 0 HG13 ILE B 8 14.621 7.978 6.312 1.00 0.00 H new ATOM 0 HG21 ILE B 8 13.773 10.906 6.799 1.00 0.00 H new ATOM 0 HG22 ILE B 8 13.311 11.291 5.124 1.00 0.00 H new ATOM 0 HG23 ILE B 8 12.823 9.740 5.847 1.00 0.00 H new ATOM 0 HD11 ILE B 8 16.974 7.410 6.662 1.00 0.00 H new ATOM 0 HD12 ILE B 8 16.654 7.708 4.937 1.00 0.00 H new ATOM 0 HD13 ILE B 8 17.470 8.948 5.918 1.00 0.00 H new ATOM 1581 N LYS B 9 12.733 10.260 2.871 1.00 0.00 N ATOM 1582 CA LYS B 9 12.003 11.207 2.035 1.00 0.00 C ATOM 1583 C LYS B 9 10.862 11.871 2.807 1.00 0.00 C ATOM 1584 O LYS B 9 10.603 13.063 2.638 1.00 0.00 O ATOM 1585 CB LYS B 9 11.452 10.502 0.793 1.00 0.00 C ATOM 1586 CG LYS B 9 12.533 9.915 -0.098 1.00 0.00 C ATOM 1587 CD LYS B 9 13.497 10.984 -0.581 1.00 0.00 C ATOM 1588 CE LYS B 9 14.577 10.400 -1.479 1.00 0.00 C ATOM 1589 NZ LYS B 9 14.003 9.765 -2.697 1.00 0.00 N ATOM 0 H LYS B 9 12.145 9.577 3.349 1.00 0.00 H new ATOM 0 HA LYS B 9 12.701 11.986 1.728 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.778 9.705 1.106 1.00 0.00 H new ATOM 0 HB3 LYS B 9 10.860 11.211 0.214 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.082 9.149 0.450 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.073 9.424 -0.956 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.947 11.752 -1.125 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.961 11.471 0.277 1.00 0.00 H new ATOM 0 HE2 LYS B 9 15.270 11.188 -1.773 1.00 0.00 H new ATOM 0 HE3 LYS B 9 15.152 9.661 -0.921 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 14.765 9.562 -3.375 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 13.528 8.878 -2.435 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 13.314 10.411 -3.133 1.00 0.00 H new ATOM 1603 N ASN B 10 10.182 11.098 3.647 1.00 0.00 N ATOM 1604 CA ASN B 10 9.068 11.620 4.434 1.00 0.00 C ATOM 1605 C ASN B 10 9.190 11.212 5.901 1.00 0.00 C ATOM 1606 O ASN B 10 8.286 10.590 6.459 1.00 0.00 O ATOM 1607 CB ASN B 10 7.737 11.125 3.861 1.00 0.00 C ATOM 1608 CG ASN B 10 7.531 11.556 2.423 1.00 0.00 C ATOM 1609 OD1 ASN B 10 7.504 12.747 2.117 1.00 0.00 O ATOM 1610 ND2 ASN B 10 7.383 10.584 1.529 1.00 0.00 N ATOM 0 H ASN B 10 10.381 10.110 3.801 1.00 0.00 H new ATOM 0 HA ASN B 10 9.098 12.708 4.380 1.00 0.00 H new ATOM 0 HB2 ASN B 10 7.701 10.037 3.920 1.00 0.00 H new ATOM 0 HB3 ASN B 10 6.918 11.504 4.472 1.00 0.00 H new ATOM 0 HD21 ASN B 10 7.240 10.813 0.545 1.00 0.00 H new ATOM 0 HD22 ASN B 10 7.412 9.609 1.826 1.00 0.00 H new ATOM 1617 N ALA B 11 10.314 11.564 6.517 1.00 0.00 N ATOM 1618 CA ALA B 11 10.552 11.232 7.917 1.00 0.00 C ATOM 1619 C ALA B 11 9.490 11.849 8.825 1.00 0.00 C ATOM 1620 O ALA B 11 9.223 13.049 8.763 1.00 0.00 O ATOM 1621 CB ALA B 11 11.942 11.693 8.336 1.00 0.00 C ATOM 0 H ALA B 11 11.073 12.078 6.070 1.00 0.00 H new ATOM 0 HA ALA B 11 10.489 10.149 8.022 1.00 0.00 H new ATOM 0 HB1 ALA B 11 12.109 11.440 9.383 1.00 0.00 H new ATOM 0 HB2 ALA B 11 12.691 11.197 7.719 1.00 0.00 H new ATOM 0 HB3 ALA B 11 12.022 12.772 8.206 1.00 0.00 H new ATOM 1627 N ASP B 12 8.892 11.014 9.671 1.00 0.00 N ATOM 1628 CA ASP B 12 7.859 11.454 10.605 1.00 0.00 C ATOM 1629 C ASP B 12 7.757 10.478 11.773 1.00 0.00 C ATOM 1630 O ASP B 12 6.716 9.857 11.990 1.00 0.00 O ATOM 1631 CB ASP B 12 6.497 11.565 9.906 1.00 0.00 C ATOM 1632 CG ASP B 12 6.478 12.593 8.789 1.00 0.00 C ATOM 1633 OD1 ASP B 12 7.120 12.352 7.746 1.00 0.00 O ATOM 1634 OD2 ASP B 12 5.820 13.641 8.959 1.00 0.00 O ATOM 0 H ASP B 12 9.108 10.019 9.729 1.00 0.00 H new ATOM 0 HA ASP B 12 8.139 12.439 10.978 1.00 0.00 H new ATOM 0 HB2 ASP B 12 6.225 10.591 9.499 1.00 0.00 H new ATOM 0 HB3 ASP B 12 5.738 11.826 10.644 1.00 0.00 H new ATOM 1639 N MET B 13 8.852 10.336 12.514 1.00 0.00 N ATOM 1640 CA MET B 13 8.894 9.421 13.651 1.00 0.00 C ATOM 1641 C MET B 13 10.248 9.490 14.353 1.00 0.00 C ATOM 1642 O MET B 13 11.242 9.913 13.764 1.00 0.00 O ATOM 1643 CB MET B 13 8.619 7.989 13.183 1.00 0.00 C ATOM 1644 CG MET B 13 8.635 6.964 14.305 1.00 0.00 C ATOM 1645 SD MET B 13 8.371 5.280 13.715 1.00 0.00 S ATOM 1646 CE MET B 13 6.715 5.397 13.045 1.00 0.00 C ATOM 0 H MET B 13 9.722 10.842 12.348 1.00 0.00 H new ATOM 0 HA MET B 13 8.123 9.720 14.361 1.00 0.00 H new ATOM 0 HB2 MET B 13 7.648 7.958 12.689 1.00 0.00 H new ATOM 0 HB3 MET B 13 9.364 7.710 12.438 1.00 0.00 H new ATOM 0 HG2 MET B 13 9.591 7.016 14.825 1.00 0.00 H new ATOM 0 HG3 MET B 13 7.862 7.215 15.032 1.00 0.00 H new ATOM 0 HE1 MET B 13 6.540 4.568 12.360 1.00 0.00 H new ATOM 0 HE2 MET B 13 5.990 5.355 13.858 1.00 0.00 H new ATOM 0 HE3 MET B 13 6.605 6.340 12.509 1.00 0.00 H new ATOM 1656 N SER B 14 10.277 9.077 15.618 1.00 0.00 N ATOM 1657 CA SER B 14 11.506 9.093 16.409 1.00 0.00 C ATOM 1658 C SER B 14 12.678 8.496 15.632 1.00 0.00 C ATOM 1659 O SER B 14 12.522 7.511 14.910 1.00 0.00 O ATOM 1660 CB SER B 14 11.303 8.329 17.718 1.00 0.00 C ATOM 1661 OG SER B 14 12.469 8.371 18.519 1.00 0.00 O ATOM 0 H SER B 14 9.461 8.726 16.119 1.00 0.00 H new ATOM 0 HA SER B 14 11.744 10.133 16.633 1.00 0.00 H new ATOM 0 HB2 SER B 14 10.465 8.759 18.267 1.00 0.00 H new ATOM 0 HB3 SER B 14 11.044 7.293 17.501 1.00 0.00 H new ATOM 0 HG SER B 14 12.266 8.019 19.411 1.00 0.00 H new ATOM 1667 N GLU B 15 13.851 9.108 15.786 1.00 0.00 N ATOM 1668 CA GLU B 15 15.061 8.657 15.099 1.00 0.00 C ATOM 1669 C GLU B 15 15.320 7.173 15.322 1.00 0.00 C ATOM 1670 O GLU B 15 15.654 6.449 14.385 1.00 0.00 O ATOM 1671 CB GLU B 15 16.267 9.468 15.572 1.00 0.00 C ATOM 1672 CG GLU B 15 16.139 10.960 15.306 1.00 0.00 C ATOM 1673 CD GLU B 15 17.348 11.742 15.781 1.00 0.00 C ATOM 1674 OE1 GLU B 15 18.463 11.465 15.290 1.00 0.00 O ATOM 1675 OE2 GLU B 15 17.179 12.633 16.639 1.00 0.00 O ATOM 0 H GLU B 15 13.990 9.922 16.384 1.00 0.00 H new ATOM 0 HA GLU B 15 14.909 8.813 14.031 1.00 0.00 H new ATOM 0 HB2 GLU B 15 16.405 9.309 16.641 1.00 0.00 H new ATOM 0 HB3 GLU B 15 17.163 9.094 15.076 1.00 0.00 H new ATOM 0 HG2 GLU B 15 16.001 11.124 14.237 1.00 0.00 H new ATOM 0 HG3 GLU B 15 15.247 11.339 15.804 1.00 0.00 H new ATOM 1682 N GLU B 16 15.177 6.732 16.561 1.00 0.00 N ATOM 1683 CA GLU B 16 15.412 5.334 16.901 1.00 0.00 C ATOM 1684 C GLU B 16 14.495 4.402 16.117 1.00 0.00 C ATOM 1685 O GLU B 16 14.937 3.379 15.597 1.00 0.00 O ATOM 1686 CB GLU B 16 15.227 5.109 18.404 1.00 0.00 C ATOM 1687 CG GLU B 16 13.827 5.439 18.900 1.00 0.00 C ATOM 1688 CD GLU B 16 13.670 5.211 20.390 1.00 0.00 C ATOM 1689 OE1 GLU B 16 14.402 5.854 21.171 1.00 0.00 O ATOM 1690 OE2 GLU B 16 12.811 4.389 20.777 1.00 0.00 O ATOM 0 H GLU B 16 14.900 7.319 17.348 1.00 0.00 H new ATOM 0 HA GLU B 16 16.441 5.100 16.628 1.00 0.00 H new ATOM 0 HB2 GLU B 16 15.450 4.068 18.638 1.00 0.00 H new ATOM 0 HB3 GLU B 16 15.949 5.719 18.946 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.599 6.480 18.669 1.00 0.00 H new ATOM 0 HG3 GLU B 16 13.102 4.827 18.364 1.00 0.00 H new ATOM 1697 N MET B 17 13.219 4.751 16.038 1.00 0.00 N ATOM 1698 CA MET B 17 12.261 3.924 15.319 1.00 0.00 C ATOM 1699 C MET B 17 12.583 3.871 13.831 1.00 0.00 C ATOM 1700 O MET B 17 12.577 2.800 13.226 1.00 0.00 O ATOM 1701 CB MET B 17 10.840 4.443 15.533 1.00 0.00 C ATOM 1702 CG MET B 17 10.415 4.465 16.993 1.00 0.00 C ATOM 1703 SD MET B 17 8.731 5.069 17.218 1.00 0.00 S ATOM 1704 CE MET B 17 8.563 4.943 18.997 1.00 0.00 C ATOM 0 H MET B 17 12.826 5.593 16.459 1.00 0.00 H new ATOM 0 HA MET B 17 12.331 2.911 15.716 1.00 0.00 H new ATOM 0 HB2 MET B 17 10.765 5.451 15.126 1.00 0.00 H new ATOM 0 HB3 MET B 17 10.145 3.819 14.970 1.00 0.00 H new ATOM 0 HG2 MET B 17 10.494 3.459 17.405 1.00 0.00 H new ATOM 0 HG3 MET B 17 11.101 5.096 17.558 1.00 0.00 H new ATOM 0 HE1 MET B 17 7.570 5.282 19.294 1.00 0.00 H new ATOM 0 HE2 MET B 17 8.699 3.906 19.303 1.00 0.00 H new ATOM 0 HE3 MET B 17 9.317 5.565 19.479 1.00 0.00 H new ATOM 1714 N GLN B 18 12.863 5.027 13.243 1.00 0.00 N ATOM 1715 CA GLN B 18 13.182 5.089 11.825 1.00 0.00 C ATOM 1716 C GLN B 18 14.489 4.369 11.514 1.00 0.00 C ATOM 1717 O GLN B 18 14.615 3.731 10.469 1.00 0.00 O ATOM 1718 CB GLN B 18 13.240 6.538 11.344 1.00 0.00 C ATOM 1719 CG GLN B 18 14.177 7.421 12.147 1.00 0.00 C ATOM 1720 CD GLN B 18 14.114 8.866 11.704 1.00 0.00 C ATOM 1721 OE1 GLN B 18 13.516 9.708 12.536 1.00 0.00 O flip ATOM 1722 NE2 GLN B 18 14.576 9.218 10.619 1.00 0.00 N flip ATOM 0 H GLN B 18 12.875 5.927 13.723 1.00 0.00 H new ATOM 0 HA GLN B 18 12.384 4.577 11.287 1.00 0.00 H new ATOM 0 HB2 GLN B 18 13.552 6.551 10.300 1.00 0.00 H new ATOM 0 HB3 GLN B 18 12.237 6.962 11.382 1.00 0.00 H new ATOM 0 HG2 GLN B 18 13.920 7.355 13.204 1.00 0.00 H new ATOM 0 HG3 GLN B 18 15.198 7.054 12.043 1.00 0.00 H new ATOM 0 HE21 GLN B 18 15.028 8.535 10.011 1.00 0.00 H new ATOM 0 HE22 GLN B 18 14.507 10.193 10.328 1.00 0.00 H new ATOM 1731 N GLN B 19 15.462 4.464 12.415 1.00 0.00 N ATOM 1732 CA GLN B 19 16.745 3.804 12.199 1.00 0.00 C ATOM 1733 C GLN B 19 16.609 2.293 12.346 1.00 0.00 C ATOM 1734 O GLN B 19 17.214 1.534 11.587 1.00 0.00 O ATOM 1735 CB GLN B 19 17.807 4.343 13.159 1.00 0.00 C ATOM 1736 CG GLN B 19 17.503 4.077 14.619 1.00 0.00 C ATOM 1737 CD GLN B 19 18.598 4.571 15.543 1.00 0.00 C ATOM 1738 OE1 GLN B 19 18.907 5.762 15.576 1.00 0.00 O ATOM 1739 NE2 GLN B 19 19.190 3.656 16.301 1.00 0.00 N ATOM 0 H GLN B 19 15.389 4.984 13.290 1.00 0.00 H new ATOM 0 HA GLN B 19 17.066 4.022 11.180 1.00 0.00 H new ATOM 0 HB2 GLN B 19 18.769 3.895 12.910 1.00 0.00 H new ATOM 0 HB3 GLN B 19 17.908 5.418 13.008 1.00 0.00 H new ATOM 0 HG2 GLN B 19 16.563 4.561 14.884 1.00 0.00 H new ATOM 0 HG3 GLN B 19 17.363 3.006 14.768 1.00 0.00 H new ATOM 0 HE21 GLN B 19 18.901 2.680 16.241 1.00 0.00 H new ATOM 0 HE22 GLN B 19 19.933 3.929 16.944 1.00 0.00 H new ATOM 1748 N ASP B 20 15.810 1.857 13.315 1.00 0.00 N ATOM 1749 CA ASP B 20 15.601 0.430 13.539 1.00 0.00 C ATOM 1750 C ASP B 20 14.792 -0.179 12.405 1.00 0.00 C ATOM 1751 O ASP B 20 15.038 -1.312 11.996 1.00 0.00 O ATOM 1752 CB ASP B 20 14.901 0.180 14.878 1.00 0.00 C ATOM 1753 CG ASP B 20 15.768 0.560 16.064 1.00 0.00 C ATOM 1754 OD1 ASP B 20 16.896 0.036 16.166 1.00 0.00 O ATOM 1755 OD2 ASP B 20 15.313 1.371 16.896 1.00 0.00 O ATOM 0 H ASP B 20 15.300 2.466 13.954 1.00 0.00 H new ATOM 0 HA ASP B 20 16.580 -0.049 13.568 1.00 0.00 H new ATOM 0 HB2 ASP B 20 13.973 0.751 14.912 1.00 0.00 H new ATOM 0 HB3 ASP B 20 14.630 -0.873 14.952 1.00 0.00 H new ATOM 1760 N SER B 21 13.829 0.576 11.895 1.00 0.00 N ATOM 1761 CA SER B 21 12.997 0.102 10.799 1.00 0.00 C ATOM 1762 C SER B 21 13.826 -0.029 9.528 1.00 0.00 C ATOM 1763 O SER B 21 13.706 -1.010 8.792 1.00 0.00 O ATOM 1764 CB SER B 21 11.822 1.052 10.565 1.00 0.00 C ATOM 1765 OG SER B 21 11.007 1.149 11.720 1.00 0.00 O ATOM 0 H SER B 21 13.605 1.516 12.222 1.00 0.00 H new ATOM 0 HA SER B 21 12.601 -0.878 11.066 1.00 0.00 H new ATOM 0 HB2 SER B 21 12.197 2.040 10.297 1.00 0.00 H new ATOM 0 HB3 SER B 21 11.226 0.698 9.724 1.00 0.00 H new ATOM 0 HG SER B 21 11.142 0.359 12.283 1.00 0.00 H new ATOM 1771 N VAL B 22 14.677 0.961 9.280 1.00 0.00 N ATOM 1772 CA VAL B 22 15.536 0.952 8.105 1.00 0.00 C ATOM 1773 C VAL B 22 16.539 -0.193 8.186 1.00 0.00 C ATOM 1774 O VAL B 22 16.725 -0.940 7.227 1.00 0.00 O ATOM 1775 CB VAL B 22 16.293 2.286 7.944 1.00 0.00 C ATOM 1776 CG1 VAL B 22 17.189 2.256 6.714 1.00 0.00 C ATOM 1777 CG2 VAL B 22 15.312 3.447 7.865 1.00 0.00 C ATOM 0 H VAL B 22 14.789 1.779 9.878 1.00 0.00 H new ATOM 0 HA VAL B 22 14.893 0.814 7.235 1.00 0.00 H new ATOM 0 HB VAL B 22 16.927 2.427 8.820 1.00 0.00 H new ATOM 0 HG11 VAL B 22 17.712 3.208 6.622 1.00 0.00 H new ATOM 0 HG12 VAL B 22 17.916 1.450 6.813 1.00 0.00 H new ATOM 0 HG13 VAL B 22 16.581 2.089 5.825 1.00 0.00 H new ATOM 0 HG21 VAL B 22 15.862 4.381 7.752 1.00 0.00 H new ATOM 0 HG22 VAL B 22 14.652 3.308 7.009 1.00 0.00 H new ATOM 0 HG23 VAL B 22 14.718 3.484 8.778 1.00 0.00 H new ATOM 1787 N GLU B 23 17.171 -0.329 9.344 1.00 0.00 N ATOM 1788 CA GLU B 23 18.139 -1.388 9.564 1.00 0.00 C ATOM 1789 C GLU B 23 17.440 -2.741 9.556 1.00 0.00 C ATOM 1790 O GLU B 23 17.932 -3.708 8.972 1.00 0.00 O ATOM 1791 CB GLU B 23 18.858 -1.167 10.894 1.00 0.00 C ATOM 1792 CG GLU B 23 19.834 -2.271 11.248 1.00 0.00 C ATOM 1793 CD GLU B 23 20.942 -2.423 10.225 1.00 0.00 C ATOM 1794 OE1 GLU B 23 20.630 -2.701 9.047 1.00 0.00 O ATOM 1795 OE2 GLU B 23 22.122 -2.265 10.600 1.00 0.00 O ATOM 0 H GLU B 23 17.028 0.284 10.146 1.00 0.00 H new ATOM 0 HA GLU B 23 18.876 -1.372 8.761 1.00 0.00 H new ATOM 0 HB2 GLU B 23 19.394 -0.219 10.854 1.00 0.00 H new ATOM 0 HB3 GLU B 23 18.116 -1.081 11.688 1.00 0.00 H new ATOM 0 HG2 GLU B 23 20.272 -2.063 12.224 1.00 0.00 H new ATOM 0 HG3 GLU B 23 19.294 -3.214 11.335 1.00 0.00 H new ATOM 1802 N CYS B 24 16.285 -2.792 10.206 1.00 0.00 N ATOM 1803 CA CYS B 24 15.497 -4.016 10.278 1.00 0.00 C ATOM 1804 C CYS B 24 15.034 -4.440 8.886 1.00 0.00 C ATOM 1805 O CYS B 24 14.963 -5.632 8.579 1.00 0.00 O ATOM 1806 CB CYS B 24 14.289 -3.813 11.194 1.00 0.00 C ATOM 1807 SG CYS B 24 13.264 -5.284 11.404 1.00 0.00 S ATOM 0 H CYS B 24 15.871 -1.997 10.693 1.00 0.00 H new ATOM 0 HA CYS B 24 16.125 -4.806 10.690 1.00 0.00 H new ATOM 0 HB2 CYS B 24 14.640 -3.486 12.173 1.00 0.00 H new ATOM 0 HB3 CYS B 24 13.673 -3.009 10.791 1.00 0.00 H new ATOM 0 HG CYS B 24 12.942 -5.413 12.657 1.00 0.00 H new ATOM 1813 N ALA B 25 14.733 -3.456 8.045 1.00 0.00 N ATOM 1814 CA ALA B 25 14.290 -3.724 6.687 1.00 0.00 C ATOM 1815 C ALA B 25 15.434 -4.306 5.879 1.00 0.00 C ATOM 1816 O ALA B 25 15.240 -5.196 5.050 1.00 0.00 O ATOM 1817 CB ALA B 25 13.765 -2.452 6.037 1.00 0.00 C ATOM 0 H ALA B 25 14.789 -2.466 8.283 1.00 0.00 H new ATOM 0 HA ALA B 25 13.477 -4.449 6.716 1.00 0.00 H new ATOM 0 HB1 ALA B 25 13.438 -2.671 5.021 1.00 0.00 H new ATOM 0 HB2 ALA B 25 12.924 -2.069 6.615 1.00 0.00 H new ATOM 0 HB3 ALA B 25 14.557 -1.704 6.010 1.00 0.00 H new ATOM 1823 N THR B 26 16.633 -3.797 6.134 1.00 0.00 N ATOM 1824 CA THR B 26 17.817 -4.265 5.439 1.00 0.00 C ATOM 1825 C THR B 26 18.032 -5.749 5.707 1.00 0.00 C ATOM 1826 O THR B 26 18.289 -6.531 4.788 1.00 0.00 O ATOM 1827 CB THR B 26 19.046 -3.464 5.874 1.00 0.00 C ATOM 1828 OG1 THR B 26 18.870 -2.086 5.597 1.00 0.00 O ATOM 1829 CG2 THR B 26 20.323 -3.908 5.194 1.00 0.00 C ATOM 0 H THR B 26 16.807 -3.060 6.818 1.00 0.00 H new ATOM 0 HA THR B 26 17.671 -4.119 4.369 1.00 0.00 H new ATOM 0 HB THR B 26 19.142 -3.644 6.945 1.00 0.00 H new ATOM 0 HG1 THR B 26 18.146 -1.730 6.154 1.00 0.00 H new ATOM 0 HG21 THR B 26 21.155 -3.299 5.548 1.00 0.00 H new ATOM 0 HG22 THR B 26 20.515 -4.955 5.428 1.00 0.00 H new ATOM 0 HG23 THR B 26 20.221 -3.790 4.115 1.00 0.00 H new ATOM 1837 N GLN B 27 17.908 -6.130 6.973 1.00 0.00 N ATOM 1838 CA GLN B 27 18.071 -7.521 7.372 1.00 0.00 C ATOM 1839 C GLN B 27 17.043 -8.393 6.667 1.00 0.00 C ATOM 1840 O GLN B 27 17.350 -9.498 6.218 1.00 0.00 O ATOM 1841 CB GLN B 27 17.926 -7.661 8.889 1.00 0.00 C ATOM 1842 CG GLN B 27 18.948 -6.857 9.675 1.00 0.00 C ATOM 1843 CD GLN B 27 20.375 -7.267 9.363 1.00 0.00 C ATOM 1844 OE1 GLN B 27 20.762 -8.417 9.564 1.00 0.00 O ATOM 1845 NE2 GLN B 27 21.167 -6.321 8.868 1.00 0.00 N ATOM 0 H GLN B 27 17.695 -5.494 7.741 1.00 0.00 H new ATOM 0 HA GLN B 27 19.070 -7.850 7.085 1.00 0.00 H new ATOM 0 HB2 GLN B 27 16.925 -7.344 9.181 1.00 0.00 H new ATOM 0 HB3 GLN B 27 18.018 -8.713 9.159 1.00 0.00 H new ATOM 0 HG2 GLN B 27 18.821 -5.798 9.452 1.00 0.00 H new ATOM 0 HG3 GLN B 27 18.762 -6.983 10.742 1.00 0.00 H new ATOM 0 HE21 GLN B 27 20.804 -5.380 8.717 1.00 0.00 H new ATOM 0 HE22 GLN B 27 22.137 -6.536 8.639 1.00 0.00 H new ATOM 1854 N ALA B 28 15.817 -7.885 6.570 1.00 0.00 N ATOM 1855 CA ALA B 28 14.738 -8.608 5.914 1.00 0.00 C ATOM 1856 C ALA B 28 15.104 -8.958 4.476 1.00 0.00 C ATOM 1857 O ALA B 28 14.854 -10.071 4.014 1.00 0.00 O ATOM 1858 CB ALA B 28 13.461 -7.784 5.945 1.00 0.00 C ATOM 0 H ALA B 28 15.548 -6.973 6.939 1.00 0.00 H new ATOM 0 HA ALA B 28 14.575 -9.539 6.457 1.00 0.00 H new ATOM 0 HB1 ALA B 28 12.660 -8.335 5.451 1.00 0.00 H new ATOM 0 HB2 ALA B 28 13.181 -7.586 6.980 1.00 0.00 H new ATOM 0 HB3 ALA B 28 13.625 -6.839 5.426 1.00 0.00 H new ATOM 1864 N LEU B 29 15.694 -7.998 3.771 1.00 0.00 N ATOM 1865 CA LEU B 29 16.089 -8.210 2.384 1.00 0.00 C ATOM 1866 C LEU B 29 17.132 -9.309 2.261 1.00 0.00 C ATOM 1867 O LEU B 29 17.009 -10.202 1.428 1.00 0.00 O ATOM 1868 CB LEU B 29 16.629 -6.915 1.781 1.00 0.00 C ATOM 1869 CG LEU B 29 15.562 -5.888 1.422 1.00 0.00 C ATOM 1870 CD1 LEU B 29 16.194 -4.532 1.145 1.00 0.00 C ATOM 1871 CD2 LEU B 29 14.766 -6.357 0.213 1.00 0.00 C ATOM 0 H LEU B 29 15.908 -7.070 4.136 1.00 0.00 H new ATOM 0 HA LEU B 29 15.201 -8.522 1.834 1.00 0.00 H new ATOM 0 HB2 LEU B 29 17.326 -6.464 2.488 1.00 0.00 H new ATOM 0 HB3 LEU B 29 17.198 -7.157 0.883 1.00 0.00 H new ATOM 0 HG LEU B 29 14.884 -5.784 2.269 1.00 0.00 H new ATOM 0 HD11 LEU B 29 15.415 -3.813 0.891 1.00 0.00 H new ATOM 0 HD12 LEU B 29 16.727 -4.191 2.032 1.00 0.00 H new ATOM 0 HD13 LEU B 29 16.893 -4.619 0.313 1.00 0.00 H new ATOM 0 HD21 LEU B 29 14.007 -5.614 -0.033 1.00 0.00 H new ATOM 0 HD22 LEU B 29 15.437 -6.486 -0.637 1.00 0.00 H new ATOM 0 HD23 LEU B 29 14.283 -7.307 0.441 1.00 0.00 H new ATOM 1883 N GLU B 30 18.162 -9.232 3.087 1.00 0.00 N ATOM 1884 CA GLU B 30 19.234 -10.219 3.059 1.00 0.00 C ATOM 1885 C GLU B 30 18.738 -11.605 3.467 1.00 0.00 C ATOM 1886 O GLU B 30 19.289 -12.617 3.037 1.00 0.00 O ATOM 1887 CB GLU B 30 20.384 -9.786 3.968 1.00 0.00 C ATOM 1888 CG GLU B 30 19.962 -9.531 5.404 1.00 0.00 C ATOM 1889 CD GLU B 30 21.123 -9.130 6.293 1.00 0.00 C ATOM 1890 OE1 GLU B 30 21.765 -8.099 6.002 1.00 0.00 O ATOM 1891 OE2 GLU B 30 21.393 -9.849 7.278 1.00 0.00 O ATOM 0 H GLU B 30 18.281 -8.498 3.785 1.00 0.00 H new ATOM 0 HA GLU B 30 19.593 -10.281 2.032 1.00 0.00 H new ATOM 0 HB2 GLU B 30 21.155 -10.556 3.956 1.00 0.00 H new ATOM 0 HB3 GLU B 30 20.834 -8.879 3.564 1.00 0.00 H new ATOM 0 HG2 GLU B 30 19.207 -8.745 5.422 1.00 0.00 H new ATOM 0 HG3 GLU B 30 19.495 -10.430 5.806 1.00 0.00 H new ATOM 1898 N LYS B 31 17.709 -11.652 4.311 1.00 0.00 N ATOM 1899 CA LYS B 31 17.173 -12.925 4.778 1.00 0.00 C ATOM 1900 C LYS B 31 16.076 -13.460 3.863 1.00 0.00 C ATOM 1901 O LYS B 31 15.975 -14.669 3.652 1.00 0.00 O ATOM 1902 CB LYS B 31 16.641 -12.788 6.204 1.00 0.00 C ATOM 1903 CG LYS B 31 15.445 -11.862 6.317 1.00 0.00 C ATOM 1904 CD LYS B 31 15.023 -11.669 7.766 1.00 0.00 C ATOM 1905 CE LYS B 31 14.658 -12.992 8.423 1.00 0.00 C ATOM 1906 NZ LYS B 31 14.226 -12.809 9.836 1.00 0.00 N ATOM 0 H LYS B 31 17.234 -10.829 4.682 1.00 0.00 H new ATOM 0 HA LYS B 31 17.993 -13.643 4.763 1.00 0.00 H new ATOM 0 HB2 LYS B 31 16.363 -13.774 6.576 1.00 0.00 H new ATOM 0 HB3 LYS B 31 17.439 -12.418 6.847 1.00 0.00 H new ATOM 0 HG2 LYS B 31 15.689 -10.895 5.876 1.00 0.00 H new ATOM 0 HG3 LYS B 31 14.612 -12.271 5.746 1.00 0.00 H new ATOM 0 HD2 LYS B 31 15.833 -11.197 8.322 1.00 0.00 H new ATOM 0 HD3 LYS B 31 14.170 -10.992 7.810 1.00 0.00 H new ATOM 0 HE2 LYS B 31 13.858 -13.470 7.858 1.00 0.00 H new ATOM 0 HE3 LYS B 31 15.516 -13.663 8.390 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 13.986 -13.733 10.248 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 14.998 -12.376 10.382 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 13.391 -12.189 9.866 1.00 0.00 H new ATOM 1920 N TYR B 32 15.237 -12.569 3.342 1.00 0.00 N ATOM 1921 CA TYR B 32 14.141 -12.991 2.474 1.00 0.00 C ATOM 1922 C TYR B 32 14.335 -12.548 1.028 1.00 0.00 C ATOM 1923 O TYR B 32 14.091 -13.317 0.100 1.00 0.00 O ATOM 1924 CB TYR B 32 12.808 -12.457 3.003 1.00 0.00 C ATOM 1925 CG TYR B 32 12.411 -13.032 4.344 1.00 0.00 C ATOM 1926 CD1 TYR B 32 12.285 -14.405 4.521 1.00 0.00 C ATOM 1927 CD2 TYR B 32 12.159 -12.205 5.430 1.00 0.00 C ATOM 1928 CE1 TYR B 32 11.919 -14.937 5.743 1.00 0.00 C ATOM 1929 CE2 TYR B 32 11.793 -12.730 6.656 1.00 0.00 C ATOM 1930 CZ TYR B 32 11.675 -14.094 6.807 1.00 0.00 C ATOM 1931 OH TYR B 32 11.311 -14.620 8.027 1.00 0.00 O ATOM 0 H TYR B 32 15.293 -11.563 3.502 1.00 0.00 H new ATOM 0 HA TYR B 32 14.133 -14.081 2.484 1.00 0.00 H new ATOM 0 HB2 TYR B 32 12.869 -11.372 3.087 1.00 0.00 H new ATOM 0 HB3 TYR B 32 12.025 -12.677 2.277 1.00 0.00 H new ATOM 0 HD1 TYR B 32 12.476 -15.067 3.690 1.00 0.00 H new ATOM 0 HD2 TYR B 32 12.250 -11.135 5.316 1.00 0.00 H new ATOM 0 HE1 TYR B 32 11.825 -16.006 5.864 1.00 0.00 H new ATOM 0 HE2 TYR B 32 11.601 -12.073 7.491 1.00 0.00 H new ATOM 0 HH TYR B 32 11.177 -13.893 8.670 1.00 0.00 H new ATOM 1941 N ASN B 33 14.756 -11.303 0.838 1.00 0.00 N ATOM 1942 CA ASN B 33 14.958 -10.760 -0.502 1.00 0.00 C ATOM 1943 C ASN B 33 13.623 -10.626 -1.228 1.00 0.00 C ATOM 1944 O ASN B 33 13.517 -10.923 -2.418 1.00 0.00 O ATOM 1945 CB ASN B 33 15.902 -11.652 -1.318 1.00 0.00 C ATOM 1946 CG ASN B 33 17.234 -11.881 -0.633 1.00 0.00 C ATOM 1947 OD1 ASN B 33 17.296 -12.448 0.457 1.00 0.00 O ATOM 1948 ND2 ASN B 33 18.312 -11.440 -1.273 1.00 0.00 N ATOM 0 H ASN B 33 14.964 -10.650 1.594 1.00 0.00 H new ATOM 0 HA ASN B 33 15.411 -9.774 -0.399 1.00 0.00 H new ATOM 0 HB2 ASN B 33 15.421 -12.614 -1.497 1.00 0.00 H new ATOM 0 HB3 ASN B 33 16.074 -11.195 -2.293 1.00 0.00 H new ATOM 0 HD21 ASN B 33 19.237 -11.567 -0.862 1.00 0.00 H new ATOM 0 HD22 ASN B 33 18.215 -10.975 -2.176 1.00 0.00 H new ATOM 1955 N ILE B 34 12.604 -10.175 -0.501 1.00 0.00 N ATOM 1956 CA ILE B 34 11.272 -10.000 -1.067 1.00 0.00 C ATOM 1957 C ILE B 34 10.524 -8.885 -0.343 1.00 0.00 C ATOM 1958 O ILE B 34 10.372 -8.916 0.877 1.00 0.00 O ATOM 1959 CB ILE B 34 10.450 -11.302 -0.979 1.00 0.00 C ATOM 1960 CG1 ILE B 34 11.176 -12.441 -1.698 1.00 0.00 C ATOM 1961 CG2 ILE B 34 9.060 -11.100 -1.567 1.00 0.00 C ATOM 1962 CD1 ILE B 34 10.424 -13.754 -1.668 1.00 0.00 C ATOM 0 H ILE B 34 12.677 -9.924 0.485 1.00 0.00 H new ATOM 0 HA ILE B 34 11.397 -9.734 -2.117 1.00 0.00 H new ATOM 0 HB ILE B 34 10.341 -11.570 0.072 1.00 0.00 H new ATOM 0 HG12 ILE B 34 11.347 -12.154 -2.735 1.00 0.00 H new ATOM 0 HG13 ILE B 34 12.155 -12.582 -1.241 1.00 0.00 H new ATOM 0 HG21 ILE B 34 8.496 -12.030 -1.495 1.00 0.00 H new ATOM 0 HG22 ILE B 34 8.541 -10.317 -1.014 1.00 0.00 H new ATOM 0 HG23 ILE B 34 9.147 -10.808 -2.614 1.00 0.00 H new ATOM 0 HD11 ILE B 34 10.999 -14.515 -2.197 1.00 0.00 H new ATOM 0 HD12 ILE B 34 10.276 -14.065 -0.634 1.00 0.00 H new ATOM 0 HD13 ILE B 34 9.455 -13.630 -2.152 1.00 0.00 H new ATOM 1974 N GLU B 35 10.067 -7.898 -1.105 1.00 0.00 N ATOM 1975 CA GLU B 35 9.346 -6.755 -0.548 1.00 0.00 C ATOM 1976 C GLU B 35 8.229 -7.185 0.404 1.00 0.00 C ATOM 1977 O GLU B 35 8.092 -6.636 1.497 1.00 0.00 O ATOM 1978 CB GLU B 35 8.771 -5.904 -1.682 1.00 0.00 C ATOM 1979 CG GLU B 35 7.925 -6.697 -2.665 1.00 0.00 C ATOM 1980 CD GLU B 35 7.470 -5.865 -3.847 1.00 0.00 C ATOM 1981 OE1 GLU B 35 8.340 -5.323 -4.561 1.00 0.00 O ATOM 1982 OE2 GLU B 35 6.246 -5.759 -4.064 1.00 0.00 O ATOM 0 H GLU B 35 10.183 -7.865 -2.118 1.00 0.00 H new ATOM 0 HA GLU B 35 10.057 -6.167 0.032 1.00 0.00 H new ATOM 0 HB2 GLU B 35 8.165 -5.105 -1.255 1.00 0.00 H new ATOM 0 HB3 GLU B 35 9.591 -5.429 -2.221 1.00 0.00 H new ATOM 0 HG2 GLU B 35 8.499 -7.551 -3.026 1.00 0.00 H new ATOM 0 HG3 GLU B 35 7.052 -7.095 -2.148 1.00 0.00 H new ATOM 1989 N LYS B 36 7.428 -8.158 -0.016 1.00 0.00 N ATOM 1990 CA LYS B 36 6.320 -8.638 0.807 1.00 0.00 C ATOM 1991 C LYS B 36 6.830 -9.208 2.131 1.00 0.00 C ATOM 1992 O LYS B 36 6.328 -8.860 3.200 1.00 0.00 O ATOM 1993 CB LYS B 36 5.522 -9.698 0.039 1.00 0.00 C ATOM 1994 CG LYS B 36 4.134 -9.976 0.608 1.00 0.00 C ATOM 1995 CD LYS B 36 4.181 -10.688 1.951 1.00 0.00 C ATOM 1996 CE LYS B 36 4.994 -11.972 1.882 1.00 0.00 C ATOM 1997 NZ LYS B 36 5.007 -12.693 3.185 1.00 0.00 N ATOM 0 H LYS B 36 7.523 -8.629 -0.916 1.00 0.00 H new ATOM 0 HA LYS B 36 5.666 -7.796 1.034 1.00 0.00 H new ATOM 0 HB2 LYS B 36 5.419 -9.377 -0.998 1.00 0.00 H new ATOM 0 HB3 LYS B 36 6.091 -10.628 0.030 1.00 0.00 H new ATOM 0 HG2 LYS B 36 3.596 -9.034 0.719 1.00 0.00 H new ATOM 0 HG3 LYS B 36 3.570 -10.583 -0.101 1.00 0.00 H new ATOM 0 HD2 LYS B 36 4.613 -10.024 2.699 1.00 0.00 H new ATOM 0 HD3 LYS B 36 3.166 -10.917 2.276 1.00 0.00 H new ATOM 0 HE2 LYS B 36 4.580 -12.623 1.112 1.00 0.00 H new ATOM 0 HE3 LYS B 36 6.017 -11.738 1.586 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 5.571 -13.562 3.095 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 5.425 -12.082 3.916 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 4.033 -12.939 3.455 1.00 0.00 H new ATOM 2011 N ASP B 37 7.834 -10.077 2.055 1.00 0.00 N ATOM 2012 CA ASP B 37 8.411 -10.689 3.251 1.00 0.00 C ATOM 2013 C ASP B 37 8.906 -9.627 4.231 1.00 0.00 C ATOM 2014 O ASP B 37 8.712 -9.744 5.441 1.00 0.00 O ATOM 2015 CB ASP B 37 9.567 -11.616 2.867 1.00 0.00 C ATOM 2016 CG ASP B 37 9.130 -12.751 1.960 1.00 0.00 C ATOM 2017 OD1 ASP B 37 7.926 -12.825 1.639 1.00 0.00 O ATOM 2018 OD2 ASP B 37 9.993 -13.566 1.574 1.00 0.00 O ATOM 0 H ASP B 37 8.265 -10.374 1.180 1.00 0.00 H new ATOM 0 HA ASP B 37 7.629 -11.270 3.739 1.00 0.00 H new ATOM 0 HB2 ASP B 37 10.343 -11.035 2.368 1.00 0.00 H new ATOM 0 HB3 ASP B 37 10.012 -12.030 3.772 1.00 0.00 H new ATOM 2023 N ILE B 38 9.547 -8.595 3.695 1.00 0.00 N ATOM 2024 CA ILE B 38 10.080 -7.506 4.510 1.00 0.00 C ATOM 2025 C ILE B 38 8.996 -6.898 5.399 1.00 0.00 C ATOM 2026 O ILE B 38 9.151 -6.802 6.618 1.00 0.00 O ATOM 2027 CB ILE B 38 10.670 -6.395 3.610 1.00 0.00 C ATOM 2028 CG1 ILE B 38 11.761 -6.966 2.703 1.00 0.00 C ATOM 2029 CG2 ILE B 38 11.228 -5.254 4.449 1.00 0.00 C ATOM 2030 CD1 ILE B 38 12.142 -6.045 1.566 1.00 0.00 C ATOM 0 H ILE B 38 9.712 -8.488 2.694 1.00 0.00 H new ATOM 0 HA ILE B 38 10.864 -7.925 5.141 1.00 0.00 H new ATOM 0 HB ILE B 38 9.866 -6.001 2.988 1.00 0.00 H new ATOM 0 HG12 ILE B 38 12.647 -7.177 3.302 1.00 0.00 H new ATOM 0 HG13 ILE B 38 11.420 -7.916 2.292 1.00 0.00 H new ATOM 0 HG21 ILE B 38 11.637 -4.486 3.793 1.00 0.00 H new ATOM 0 HG22 ILE B 38 10.431 -4.825 5.057 1.00 0.00 H new ATOM 0 HG23 ILE B 38 12.016 -5.633 5.100 1.00 0.00 H new ATOM 0 HD11 ILE B 38 12.920 -6.513 0.964 1.00 0.00 H new ATOM 0 HD12 ILE B 38 11.268 -5.854 0.944 1.00 0.00 H new ATOM 0 HD13 ILE B 38 12.513 -5.103 1.970 1.00 0.00 H new ATOM 2042 N ALA B 39 7.905 -6.478 4.771 1.00 0.00 N ATOM 2043 CA ALA B 39 6.789 -5.860 5.478 1.00 0.00 C ATOM 2044 C ALA B 39 6.092 -6.832 6.427 1.00 0.00 C ATOM 2045 O ALA B 39 5.498 -6.417 7.421 1.00 0.00 O ATOM 2046 CB ALA B 39 5.788 -5.308 4.474 1.00 0.00 C ATOM 0 H ALA B 39 7.768 -6.555 3.763 1.00 0.00 H new ATOM 0 HA ALA B 39 7.194 -5.051 6.085 1.00 0.00 H new ATOM 0 HB1 ALA B 39 4.956 -4.847 5.006 1.00 0.00 H new ATOM 0 HB2 ALA B 39 6.276 -4.562 3.847 1.00 0.00 H new ATOM 0 HB3 ALA B 39 5.415 -6.119 3.849 1.00 0.00 H new ATOM 2052 N ALA B 40 6.141 -8.119 6.106 1.00 0.00 N ATOM 2053 CA ALA B 40 5.481 -9.129 6.925 1.00 0.00 C ATOM 2054 C ALA B 40 6.133 -9.281 8.300 1.00 0.00 C ATOM 2055 O ALA B 40 5.506 -9.025 9.332 1.00 0.00 O ATOM 2056 CB ALA B 40 5.476 -10.466 6.199 1.00 0.00 C ATOM 0 H ALA B 40 6.628 -8.487 5.289 1.00 0.00 H new ATOM 0 HA ALA B 40 4.456 -8.795 7.089 1.00 0.00 H new ATOM 0 HB1 ALA B 40 4.981 -11.214 6.818 1.00 0.00 H new ATOM 0 HB2 ALA B 40 4.941 -10.365 5.255 1.00 0.00 H new ATOM 0 HB3 ALA B 40 6.502 -10.778 6.004 1.00 0.00 H new ATOM 2062 N HIS B 41 7.385 -9.721 8.307 1.00 0.00 N ATOM 2063 CA HIS B 41 8.115 -9.938 9.550 1.00 0.00 C ATOM 2064 C HIS B 41 8.317 -8.631 10.320 1.00 0.00 C ATOM 2065 O HIS B 41 8.122 -8.580 11.534 1.00 0.00 O ATOM 2066 CB HIS B 41 9.463 -10.608 9.256 1.00 0.00 C ATOM 2067 CG HIS B 41 10.631 -9.671 9.255 1.00 0.00 C ATOM 2068 ND1 HIS B 41 11.170 -9.149 10.412 1.00 0.00 N ATOM 2069 CD2 HIS B 41 11.359 -9.155 8.237 1.00 0.00 C ATOM 2070 CE1 HIS B 41 12.178 -8.358 10.108 1.00 0.00 C ATOM 2071 NE2 HIS B 41 12.318 -8.343 8.795 1.00 0.00 N ATOM 0 H HIS B 41 7.917 -9.935 7.464 1.00 0.00 H new ATOM 0 HA HIS B 41 7.520 -10.598 10.181 1.00 0.00 H new ATOM 0 HB2 HIS B 41 9.638 -11.387 9.998 1.00 0.00 H new ATOM 0 HB3 HIS B 41 9.406 -11.100 8.285 1.00 0.00 H new ATOM 0 HD1 HIS B 41 10.839 -9.345 11.357 1.00 0.00 H new ATOM 0 HD2 HIS B 41 11.214 -9.345 7.184 1.00 0.00 H new ATOM 0 HE1 HIS B 41 12.788 -7.813 10.814 1.00 0.00 H new ATOM 2080 N ILE B 42 8.719 -7.581 9.611 1.00 0.00 N ATOM 2081 CA ILE B 42 8.953 -6.288 10.243 1.00 0.00 C ATOM 2082 C ILE B 42 7.687 -5.764 10.914 1.00 0.00 C ATOM 2083 O ILE B 42 7.736 -5.259 12.036 1.00 0.00 O ATOM 2084 CB ILE B 42 9.476 -5.251 9.226 1.00 0.00 C ATOM 2085 CG1 ILE B 42 10.806 -5.718 8.646 1.00 0.00 C ATOM 2086 CG2 ILE B 42 9.630 -3.884 9.880 1.00 0.00 C ATOM 2087 CD1 ILE B 42 11.330 -4.812 7.561 1.00 0.00 C ATOM 0 H ILE B 42 8.889 -7.599 8.605 1.00 0.00 H new ATOM 0 HA ILE B 42 9.716 -6.438 11.007 1.00 0.00 H new ATOM 0 HB ILE B 42 8.751 -5.159 8.418 1.00 0.00 H new ATOM 0 HG12 ILE B 42 11.543 -5.779 9.447 1.00 0.00 H new ATOM 0 HG13 ILE B 42 10.687 -6.724 8.244 1.00 0.00 H new ATOM 0 HG21 ILE B 42 10.000 -3.169 9.145 1.00 0.00 H new ATOM 0 HG22 ILE B 42 8.663 -3.550 10.257 1.00 0.00 H new ATOM 0 HG23 ILE B 42 10.337 -3.954 10.706 1.00 0.00 H new ATOM 0 HD11 ILE B 42 12.279 -5.200 7.190 1.00 0.00 H new ATOM 0 HD12 ILE B 42 10.611 -4.770 6.743 1.00 0.00 H new ATOM 0 HD13 ILE B 42 11.480 -3.810 7.964 1.00 0.00 H new ATOM 2099 N LYS B 43 6.556 -5.889 10.233 1.00 0.00 N ATOM 2100 CA LYS B 43 5.285 -5.426 10.783 1.00 0.00 C ATOM 2101 C LYS B 43 4.997 -6.112 12.112 1.00 0.00 C ATOM 2102 O LYS B 43 4.706 -5.454 13.110 1.00 0.00 O ATOM 2103 CB LYS B 43 4.150 -5.693 9.790 1.00 0.00 C ATOM 2104 CG LYS B 43 2.772 -5.237 10.263 1.00 0.00 C ATOM 2105 CD LYS B 43 2.184 -6.174 11.312 1.00 0.00 C ATOM 2106 CE LYS B 43 0.711 -5.889 11.555 1.00 0.00 C ATOM 2107 NZ LYS B 43 0.495 -4.533 12.130 1.00 0.00 N ATOM 0 H LYS B 43 6.490 -6.304 9.304 1.00 0.00 H new ATOM 0 HA LYS B 43 5.353 -4.352 10.957 1.00 0.00 H new ATOM 0 HB2 LYS B 43 4.381 -5.192 8.850 1.00 0.00 H new ATOM 0 HB3 LYS B 43 4.112 -6.762 9.580 1.00 0.00 H new ATOM 0 HG2 LYS B 43 2.846 -4.232 10.677 1.00 0.00 H new ATOM 0 HG3 LYS B 43 2.097 -5.181 9.409 1.00 0.00 H new ATOM 0 HD2 LYS B 43 2.306 -7.207 10.987 1.00 0.00 H new ATOM 0 HD3 LYS B 43 2.735 -6.066 12.246 1.00 0.00 H new ATOM 0 HE2 LYS B 43 0.165 -5.976 10.616 1.00 0.00 H new ATOM 0 HE3 LYS B 43 0.303 -6.640 12.232 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -0.499 -4.255 12.001 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 0.721 -4.546 13.145 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 1.111 -3.849 11.647 1.00 0.00 H new ATOM 2121 N LYS B 44 5.069 -7.440 12.117 1.00 0.00 N ATOM 2122 CA LYS B 44 4.805 -8.208 13.328 1.00 0.00 C ATOM 2123 C LYS B 44 5.826 -7.895 14.419 1.00 0.00 C ATOM 2124 O LYS B 44 5.478 -7.805 15.596 1.00 0.00 O ATOM 2125 CB LYS B 44 4.801 -9.707 13.022 1.00 0.00 C ATOM 2126 CG LYS B 44 6.091 -10.205 12.393 1.00 0.00 C ATOM 2127 CD LYS B 44 6.048 -11.705 12.143 1.00 0.00 C ATOM 2128 CE LYS B 44 4.920 -12.079 11.196 1.00 0.00 C ATOM 2129 NZ LYS B 44 4.885 -13.543 10.924 1.00 0.00 N ATOM 0 H LYS B 44 5.307 -8.003 11.301 1.00 0.00 H new ATOM 0 HA LYS B 44 3.820 -7.920 13.695 1.00 0.00 H new ATOM 0 HB2 LYS B 44 4.622 -10.257 13.946 1.00 0.00 H new ATOM 0 HB3 LYS B 44 3.971 -9.930 12.352 1.00 0.00 H new ATOM 0 HG2 LYS B 44 6.263 -9.683 11.452 1.00 0.00 H new ATOM 0 HG3 LYS B 44 6.931 -9.968 13.047 1.00 0.00 H new ATOM 0 HD2 LYS B 44 7.000 -12.033 11.725 1.00 0.00 H new ATOM 0 HD3 LYS B 44 5.919 -12.229 13.090 1.00 0.00 H new ATOM 0 HE2 LYS B 44 3.968 -11.767 11.625 1.00 0.00 H new ATOM 0 HE3 LYS B 44 5.040 -11.538 10.257 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 4.102 -13.757 10.274 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 5.784 -13.837 10.492 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 4.745 -14.059 11.816 1.00 0.00 H new ATOM 2143 N GLU B 45 7.086 -7.735 14.027 1.00 0.00 N ATOM 2144 CA GLU B 45 8.149 -7.437 14.981 1.00 0.00 C ATOM 2145 C GLU B 45 7.843 -6.160 15.761 1.00 0.00 C ATOM 2146 O GLU B 45 7.848 -6.160 16.992 1.00 0.00 O ATOM 2147 CB GLU B 45 9.489 -7.300 14.258 1.00 0.00 C ATOM 2148 CG GLU B 45 10.655 -7.000 15.186 1.00 0.00 C ATOM 2149 CD GLU B 45 11.972 -6.869 14.445 1.00 0.00 C ATOM 2150 OE1 GLU B 45 12.383 -7.848 13.788 1.00 0.00 O ATOM 2151 OE2 GLU B 45 12.591 -5.787 14.523 1.00 0.00 O ATOM 0 H GLU B 45 7.396 -7.806 13.058 1.00 0.00 H new ATOM 0 HA GLU B 45 8.209 -8.265 15.688 1.00 0.00 H new ATOM 0 HB2 GLU B 45 9.695 -8.223 13.716 1.00 0.00 H new ATOM 0 HB3 GLU B 45 9.412 -6.505 13.516 1.00 0.00 H new ATOM 0 HG2 GLU B 45 10.454 -6.076 15.729 1.00 0.00 H new ATOM 0 HG3 GLU B 45 10.737 -7.794 15.928 1.00 0.00 H new ATOM 2158 N PHE B 46 7.570 -5.076 15.042 1.00 0.00 N ATOM 2159 CA PHE B 46 7.255 -3.802 15.678 1.00 0.00 C ATOM 2160 C PHE B 46 5.890 -3.857 16.355 1.00 0.00 C ATOM 2161 O PHE B 46 5.715 -3.370 17.472 1.00 0.00 O ATOM 2162 CB PHE B 46 7.296 -2.661 14.659 1.00 0.00 C ATOM 2163 CG PHE B 46 8.684 -2.294 14.204 1.00 0.00 C ATOM 2164 CD1 PHE B 46 9.481 -3.210 13.531 1.00 0.00 C ATOM 2165 CD2 PHE B 46 9.192 -1.029 14.448 1.00 0.00 C ATOM 2166 CE1 PHE B 46 10.752 -2.867 13.110 1.00 0.00 C ATOM 2167 CE2 PHE B 46 10.462 -0.680 14.032 1.00 0.00 C ATOM 2168 CZ PHE B 46 11.244 -1.599 13.362 1.00 0.00 C ATOM 0 H PHE B 46 7.560 -5.054 14.022 1.00 0.00 H new ATOM 0 HA PHE B 46 8.011 -3.612 16.440 1.00 0.00 H new ATOM 0 HB2 PHE B 46 6.703 -2.943 13.789 1.00 0.00 H new ATOM 0 HB3 PHE B 46 6.823 -1.781 15.095 1.00 0.00 H new ATOM 0 HD1 PHE B 46 9.103 -4.202 13.334 1.00 0.00 H new ATOM 0 HD2 PHE B 46 8.586 -0.304 14.971 1.00 0.00 H new ATOM 0 HE1 PHE B 46 11.360 -3.588 12.585 1.00 0.00 H new ATOM 0 HE2 PHE B 46 10.843 0.311 14.231 1.00 0.00 H new ATOM 0 HZ PHE B 46 12.237 -1.329 13.035 1.00 0.00 H new ATOM 2178 N ASP B 47 4.923 -4.459 15.670 1.00 0.00 N ATOM 2179 CA ASP B 47 3.571 -4.593 16.190 1.00 0.00 C ATOM 2180 C ASP B 47 3.577 -5.274 17.556 1.00 0.00 C ATOM 2181 O ASP B 47 2.848 -4.878 18.464 1.00 0.00 O ATOM 2182 CB ASP B 47 2.725 -5.403 15.207 1.00 0.00 C ATOM 2183 CG ASP B 47 1.276 -5.517 15.631 1.00 0.00 C ATOM 2184 OD1 ASP B 47 1.021 -5.999 16.755 1.00 0.00 O ATOM 2185 OD2 ASP B 47 0.394 -5.130 14.835 1.00 0.00 O ATOM 0 H ASP B 47 5.055 -4.865 14.744 1.00 0.00 H new ATOM 0 HA ASP B 47 3.143 -3.598 16.309 1.00 0.00 H new ATOM 0 HB2 ASP B 47 2.775 -4.937 14.223 1.00 0.00 H new ATOM 0 HB3 ASP B 47 3.149 -6.402 15.108 1.00 0.00 H new ATOM 2190 N LYS B 48 4.401 -6.307 17.683 1.00 0.00 N ATOM 2191 CA LYS B 48 4.509 -7.064 18.924 1.00 0.00 C ATOM 2192 C LYS B 48 5.332 -6.323 19.977 1.00 0.00 C ATOM 2193 O LYS B 48 4.940 -6.240 21.141 1.00 0.00 O ATOM 2194 CB LYS B 48 5.139 -8.426 18.628 1.00 0.00 C ATOM 2195 CG LYS B 48 5.427 -9.250 19.868 1.00 0.00 C ATOM 2196 CD LYS B 48 4.159 -9.552 20.648 1.00 0.00 C ATOM 2197 CE LYS B 48 3.170 -10.351 19.813 1.00 0.00 C ATOM 2198 NZ LYS B 48 3.741 -11.653 19.370 1.00 0.00 N ATOM 0 H LYS B 48 5.009 -6.642 16.935 1.00 0.00 H new ATOM 0 HA LYS B 48 3.506 -7.194 19.331 1.00 0.00 H new ATOM 0 HB2 LYS B 48 4.473 -8.990 17.975 1.00 0.00 H new ATOM 0 HB3 LYS B 48 6.069 -8.274 18.080 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.909 -10.185 19.580 1.00 0.00 H new ATOM 0 HG3 LYS B 48 6.128 -8.713 20.507 1.00 0.00 H new ATOM 0 HD2 LYS B 48 4.409 -10.110 21.550 1.00 0.00 H new ATOM 0 HD3 LYS B 48 3.696 -8.619 20.968 1.00 0.00 H new ATOM 0 HE2 LYS B 48 2.266 -10.530 20.395 1.00 0.00 H new ATOM 0 HE3 LYS B 48 2.877 -9.767 18.940 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 2.986 -12.244 18.968 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 4.471 -11.485 18.648 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 4.166 -12.141 20.184 1.00 0.00 H new ATOM 2212 N LYS B 49 6.482 -5.807 19.565 1.00 0.00 N ATOM 2213 CA LYS B 49 7.378 -5.094 20.472 1.00 0.00 C ATOM 2214 C LYS B 49 6.848 -3.716 20.835 1.00 0.00 C ATOM 2215 O LYS B 49 6.598 -3.410 22.001 1.00 0.00 O ATOM 2216 CB LYS B 49 8.753 -4.921 19.825 1.00 0.00 C ATOM 2217 CG LYS B 49 9.463 -6.222 19.518 1.00 0.00 C ATOM 2218 CD LYS B 49 9.695 -7.029 20.774 1.00 0.00 C ATOM 2219 CE LYS B 49 10.585 -8.225 20.498 1.00 0.00 C ATOM 2220 NZ LYS B 49 11.970 -7.815 20.138 1.00 0.00 N ATOM 0 H LYS B 49 6.820 -5.868 18.604 1.00 0.00 H new ATOM 0 HA LYS B 49 7.449 -5.693 21.380 1.00 0.00 H new ATOM 0 HB2 LYS B 49 8.638 -4.356 18.900 1.00 0.00 H new ATOM 0 HB3 LYS B 49 9.381 -4.325 20.487 1.00 0.00 H new ATOM 0 HG2 LYS B 49 8.870 -6.805 18.813 1.00 0.00 H new ATOM 0 HG3 LYS B 49 10.418 -6.013 19.036 1.00 0.00 H new ATOM 0 HD2 LYS B 49 10.154 -6.398 21.535 1.00 0.00 H new ATOM 0 HD3 LYS B 49 8.739 -7.368 21.174 1.00 0.00 H new ATOM 0 HE2 LYS B 49 10.614 -8.867 21.378 1.00 0.00 H new ATOM 0 HE3 LYS B 49 10.159 -8.815 19.687 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 12.610 -8.629 20.238 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 11.988 -7.479 19.154 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 12.281 -7.050 20.770 1.00 0.00 H new ATOM 2234 N TYR B 50 6.719 -2.886 19.817 1.00 0.00 N ATOM 2235 CA TYR B 50 6.262 -1.512 19.981 1.00 0.00 C ATOM 2236 C TYR B 50 4.750 -1.432 20.178 1.00 0.00 C ATOM 2237 O TYR B 50 4.237 -0.402 20.609 1.00 0.00 O ATOM 2238 CB TYR B 50 6.706 -0.675 18.781 1.00 0.00 C ATOM 2239 CG TYR B 50 8.208 -0.678 18.585 1.00 0.00 C ATOM 2240 CD1 TYR B 50 8.884 -1.853 18.277 1.00 0.00 C ATOM 2241 CD2 TYR B 50 8.954 0.484 18.736 1.00 0.00 C ATOM 2242 CE1 TYR B 50 10.255 -1.872 18.119 1.00 0.00 C ATOM 2243 CE2 TYR B 50 10.326 0.475 18.575 1.00 0.00 C ATOM 2244 CZ TYR B 50 10.973 -0.705 18.267 1.00 0.00 C ATOM 2245 OH TYR B 50 12.339 -0.719 18.111 1.00 0.00 O ATOM 0 H TYR B 50 6.927 -3.142 18.852 1.00 0.00 H new ATOM 0 HA TYR B 50 6.717 -1.108 20.886 1.00 0.00 H new ATOM 0 HB2 TYR B 50 6.226 -1.057 17.880 1.00 0.00 H new ATOM 0 HB3 TYR B 50 6.364 0.351 18.913 1.00 0.00 H new ATOM 0 HD1 TYR B 50 8.325 -2.770 18.159 1.00 0.00 H new ATOM 0 HD2 TYR B 50 8.454 1.409 18.983 1.00 0.00 H new ATOM 0 HE1 TYR B 50 10.762 -2.795 17.881 1.00 0.00 H new ATOM 0 HE2 TYR B 50 10.891 1.388 18.690 1.00 0.00 H new ATOM 0 HH TYR B 50 12.693 0.185 18.247 1.00 0.00 H new ATOM 2255 N ASN B 51 4.051 -2.524 19.854 1.00 0.00 N ATOM 2256 CA ASN B 51 2.592 -2.605 19.985 1.00 0.00 C ATOM 2257 C ASN B 51 1.913 -2.229 18.674 1.00 0.00 C ATOM 2258 O ASN B 51 2.379 -1.346 17.955 1.00 0.00 O ATOM 2259 CB ASN B 51 2.063 -1.716 21.120 1.00 0.00 C ATOM 2260 CG ASN B 51 2.758 -1.988 22.439 1.00 0.00 C ATOM 2261 OD1 ASN B 51 2.720 -3.106 22.955 1.00 0.00 O ATOM 2262 ND2 ASN B 51 3.395 -0.965 22.996 1.00 0.00 N ATOM 0 H ASN B 51 4.480 -3.377 19.494 1.00 0.00 H new ATOM 0 HA ASN B 51 2.352 -3.639 20.232 1.00 0.00 H new ATOM 0 HB2 ASN B 51 2.198 -0.669 20.850 1.00 0.00 H new ATOM 0 HB3 ASN B 51 0.992 -1.879 21.237 1.00 0.00 H new ATOM 0 HD21 ASN B 51 3.878 -1.088 23.886 1.00 0.00 H new ATOM 0 HD22 ASN B 51 3.401 -0.056 22.534 1.00 0.00 H new ATOM 2269 N PRO B 52 0.804 -2.907 18.340 1.00 0.00 N ATOM 2270 CA PRO B 52 0.068 -2.649 17.101 1.00 0.00 C ATOM 2271 C PRO B 52 -0.527 -1.238 17.051 1.00 0.00 C ATOM 2272 O PRO B 52 -0.573 -0.548 18.069 1.00 0.00 O ATOM 2273 CB PRO B 52 -1.055 -3.693 17.121 1.00 0.00 C ATOM 2274 CG PRO B 52 -1.196 -4.082 18.551 1.00 0.00 C ATOM 2275 CD PRO B 52 0.183 -3.981 19.136 1.00 0.00 C ATOM 0 HA PRO B 52 0.719 -2.716 16.230 1.00 0.00 H new ATOM 0 HB2 PRO B 52 -1.985 -3.279 16.731 1.00 0.00 H new ATOM 0 HB3 PRO B 52 -0.804 -4.554 16.501 1.00 0.00 H new ATOM 0 HG2 PRO B 52 -1.891 -3.422 19.070 1.00 0.00 H new ATOM 0 HG3 PRO B 52 -1.588 -5.095 18.645 1.00 0.00 H new ATOM 0 HD2 PRO B 52 0.154 -3.732 20.197 1.00 0.00 H new ATOM 0 HD3 PRO B 52 0.730 -4.919 19.044 1.00 0.00 H new ATOM 2283 N THR B 53 -0.987 -0.806 15.867 1.00 0.00 N ATOM 2284 CA THR B 53 -0.937 -1.617 14.655 1.00 0.00 C ATOM 2285 C THR B 53 -0.034 -0.971 13.614 1.00 0.00 C ATOM 2286 O THR B 53 -0.194 0.203 13.287 1.00 0.00 O ATOM 2287 CB THR B 53 -2.346 -1.797 14.091 1.00 0.00 C ATOM 2288 OG1 THR B 53 -2.338 -2.683 12.987 1.00 0.00 O ATOM 2289 CG2 THR B 53 -2.984 -0.502 13.636 1.00 0.00 C ATOM 0 H THR B 53 -1.402 0.115 15.730 1.00 0.00 H new ATOM 0 HA THR B 53 -0.526 -2.594 14.907 1.00 0.00 H new ATOM 0 HB THR B 53 -2.933 -2.200 14.916 1.00 0.00 H new ATOM 0 HG1 THR B 53 -2.392 -3.607 13.309 1.00 0.00 H new ATOM 0 HG21 THR B 53 -3.982 -0.705 13.247 1.00 0.00 H new ATOM 0 HG22 THR B 53 -3.056 0.184 14.480 1.00 0.00 H new ATOM 0 HG23 THR B 53 -2.374 -0.052 12.853 1.00 0.00 H new ATOM 2297 N TRP B 54 0.926 -1.738 13.109 1.00 0.00 N ATOM 2298 CA TRP B 54 1.863 -1.226 12.117 1.00 0.00 C ATOM 2299 C TRP B 54 1.479 -1.627 10.701 1.00 0.00 C ATOM 2300 O TRP B 54 1.218 -2.795 10.418 1.00 0.00 O ATOM 2301 CB TRP B 54 3.276 -1.706 12.427 1.00 0.00 C ATOM 2302 CG TRP B 54 3.771 -1.218 13.748 1.00 0.00 C ATOM 2303 CD1 TRP B 54 3.253 -1.515 14.972 1.00 0.00 C ATOM 2304 CD2 TRP B 54 4.866 -0.328 13.976 1.00 0.00 C ATOM 2305 NE1 TRP B 54 3.969 -0.880 15.953 1.00 0.00 N ATOM 2306 CE2 TRP B 54 4.965 -0.141 15.368 1.00 0.00 C ATOM 2307 CE3 TRP B 54 5.777 0.326 13.139 1.00 0.00 C ATOM 2308 CZ2 TRP B 54 5.938 0.672 15.942 1.00 0.00 C ATOM 2309 CZ3 TRP B 54 6.742 1.133 13.711 1.00 0.00 C ATOM 2310 CH2 TRP B 54 6.816 1.301 15.101 1.00 0.00 C ATOM 0 H TRP B 54 1.075 -2.713 13.369 1.00 0.00 H new ATOM 0 HA TRP B 54 1.826 -0.138 12.172 1.00 0.00 H new ATOM 0 HB2 TRP B 54 3.296 -2.796 12.416 1.00 0.00 H new ATOM 0 HB3 TRP B 54 3.952 -1.366 11.642 1.00 0.00 H new ATOM 0 HD1 TRP B 54 2.402 -2.157 15.144 1.00 0.00 H new ATOM 0 HE1 TRP B 54 3.790 -0.946 16.955 1.00 0.00 H new ATOM 0 HE3 TRP B 54 5.727 0.203 12.067 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 5.998 0.802 17.012 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 7.451 1.643 13.076 1.00 0.00 H new ATOM 0 HH2 TRP B 54 7.581 1.940 15.517 1.00 0.00 H new ATOM 2321 N HIS B 55 1.467 -0.643 9.816 1.00 0.00 N ATOM 2322 CA HIS B 55 1.142 -0.868 8.421 1.00 0.00 C ATOM 2323 C HIS B 55 2.403 -0.675 7.584 1.00 0.00 C ATOM 2324 O HIS B 55 3.143 0.286 7.794 1.00 0.00 O ATOM 2325 CB HIS B 55 0.044 0.103 7.988 1.00 0.00 C ATOM 2326 CG HIS B 55 -1.012 0.298 9.037 1.00 0.00 C ATOM 2327 ND1 HIS B 55 -1.761 -0.736 9.561 1.00 0.00 N ATOM 2328 CD2 HIS B 55 -1.428 1.418 9.674 1.00 0.00 C ATOM 2329 CE1 HIS B 55 -2.595 -0.261 10.467 1.00 0.00 C ATOM 2330 NE2 HIS B 55 -2.412 1.044 10.556 1.00 0.00 N ATOM 0 H HIS B 55 1.681 0.328 10.045 1.00 0.00 H new ATOM 0 HA HIS B 55 0.774 -1.884 8.277 1.00 0.00 H new ATOM 0 HB2 HIS B 55 0.493 1.067 7.748 1.00 0.00 H new ATOM 0 HB3 HIS B 55 -0.422 -0.268 7.075 1.00 0.00 H new ATOM 0 HD2 HIS B 55 -1.055 2.419 9.518 1.00 0.00 H new ATOM 0 HE1 HIS B 55 -3.306 -0.840 11.038 1.00 0.00 H new ATOM 0 HE2 HIS B 55 -2.919 1.672 11.179 1.00 0.00 H new ATOM 2339 N CYS B 56 2.674 -1.595 6.663 1.00 0.00 N ATOM 2340 CA CYS B 56 3.886 -1.496 5.853 1.00 0.00 C ATOM 2341 C CYS B 56 3.624 -1.748 4.372 1.00 0.00 C ATOM 2342 O CYS B 56 2.683 -2.446 3.997 1.00 0.00 O ATOM 2343 CB CYS B 56 4.940 -2.476 6.368 1.00 0.00 C ATOM 2344 SG CYS B 56 6.517 -2.400 5.484 1.00 0.00 S ATOM 0 H CYS B 56 2.085 -2.403 6.460 1.00 0.00 H new ATOM 0 HA CYS B 56 4.251 -0.473 5.946 1.00 0.00 H new ATOM 0 HB2 CYS B 56 5.119 -2.278 7.425 1.00 0.00 H new ATOM 0 HB3 CYS B 56 4.544 -3.489 6.296 1.00 0.00 H new ATOM 0 HG CYS B 56 6.762 -1.171 5.138 1.00 0.00 H new ATOM 2350 N ILE B 57 4.483 -1.163 3.540 1.00 0.00 N ATOM 2351 CA ILE B 57 4.386 -1.297 2.092 1.00 0.00 C ATOM 2352 C ILE B 57 5.776 -1.217 1.461 1.00 0.00 C ATOM 2353 O ILE B 57 6.633 -0.466 1.925 1.00 0.00 O ATOM 2354 CB ILE B 57 3.491 -0.199 1.485 1.00 0.00 C ATOM 2355 CG1 ILE B 57 2.104 -0.225 2.127 1.00 0.00 C ATOM 2356 CG2 ILE B 57 3.383 -0.371 -0.025 1.00 0.00 C ATOM 2357 CD1 ILE B 57 1.165 0.830 1.586 1.00 0.00 C ATOM 0 H ILE B 57 5.263 -0.585 3.852 1.00 0.00 H new ATOM 0 HA ILE B 57 3.938 -2.268 1.880 1.00 0.00 H new ATOM 0 HB ILE B 57 3.948 0.769 1.689 1.00 0.00 H new ATOM 0 HG12 ILE B 57 1.660 -1.208 1.972 1.00 0.00 H new ATOM 0 HG13 ILE B 57 2.209 -0.088 3.203 1.00 0.00 H new ATOM 0 HG21 ILE B 57 2.747 0.413 -0.436 1.00 0.00 H new ATOM 0 HG22 ILE B 57 4.375 -0.304 -0.471 1.00 0.00 H new ATOM 0 HG23 ILE B 57 2.949 -1.345 -0.250 1.00 0.00 H new ATOM 0 HD11 ILE B 57 0.201 0.751 2.088 1.00 0.00 H new ATOM 0 HD12 ILE B 57 1.587 1.819 1.765 1.00 0.00 H new ATOM 0 HD13 ILE B 57 1.030 0.682 0.515 1.00 0.00 H new ATOM 2369 N VAL B 58 5.996 -2.001 0.411 1.00 0.00 N ATOM 2370 CA VAL B 58 7.287 -2.019 -0.268 1.00 0.00 C ATOM 2371 C VAL B 58 7.144 -2.475 -1.717 1.00 0.00 C ATOM 2372 O VAL B 58 6.429 -3.433 -2.012 1.00 0.00 O ATOM 2373 CB VAL B 58 8.286 -2.947 0.453 1.00 0.00 C ATOM 2374 CG1 VAL B 58 9.649 -2.906 -0.223 1.00 0.00 C ATOM 2375 CG2 VAL B 58 8.402 -2.571 1.922 1.00 0.00 C ATOM 0 H VAL B 58 5.300 -2.631 0.012 1.00 0.00 H new ATOM 0 HA VAL B 58 7.668 -0.998 -0.249 1.00 0.00 H new ATOM 0 HB VAL B 58 7.908 -3.968 0.390 1.00 0.00 H new ATOM 0 HG11 VAL B 58 10.336 -3.568 0.303 1.00 0.00 H new ATOM 0 HG12 VAL B 58 9.552 -3.233 -1.258 1.00 0.00 H new ATOM 0 HG13 VAL B 58 10.037 -1.888 -0.199 1.00 0.00 H new ATOM 0 HG21 VAL B 58 9.111 -3.237 2.413 1.00 0.00 H new ATOM 0 HG22 VAL B 58 8.751 -1.542 2.008 1.00 0.00 H new ATOM 0 HG23 VAL B 58 7.427 -2.664 2.399 1.00 0.00 H new ATOM 2385 N GLY B 59 7.830 -1.776 -2.614 1.00 0.00 N ATOM 2386 CA GLY B 59 7.777 -2.112 -4.025 1.00 0.00 C ATOM 2387 C GLY B 59 8.623 -1.176 -4.864 1.00 0.00 C ATOM 2388 O GLY B 59 9.779 -0.909 -4.531 1.00 0.00 O ATOM 0 H GLY B 59 8.425 -0.979 -2.388 1.00 0.00 H new ATOM 0 HA2 GLY B 59 8.121 -3.137 -4.167 1.00 0.00 H new ATOM 0 HA3 GLY B 59 6.743 -2.072 -4.368 1.00 0.00 H new ATOM 2392 N ARG B 60 8.051 -0.673 -5.953 1.00 0.00 N ATOM 2393 CA ARG B 60 8.772 0.244 -6.835 1.00 0.00 C ATOM 2394 C ARG B 60 7.889 0.726 -7.985 1.00 0.00 C ATOM 2395 O ARG B 60 8.365 0.916 -9.103 1.00 0.00 O ATOM 2396 CB ARG B 60 10.021 -0.437 -7.397 1.00 0.00 C ATOM 2397 CG ARG B 60 9.721 -1.703 -8.184 1.00 0.00 C ATOM 2398 CD ARG B 60 10.988 -2.318 -8.757 1.00 0.00 C ATOM 2399 NE ARG B 60 10.716 -3.555 -9.488 1.00 0.00 N ATOM 2400 CZ ARG B 60 10.273 -4.673 -8.918 1.00 0.00 C ATOM 2401 NH1 ARG B 60 10.094 -4.733 -7.604 1.00 0.00 N ATOM 2402 NH2 ARG B 60 10.018 -5.739 -9.663 1.00 0.00 N ATOM 0 H ARG B 60 7.097 -0.882 -6.247 1.00 0.00 H new ATOM 0 HA ARG B 60 9.063 1.111 -6.243 1.00 0.00 H new ATOM 0 HB2 ARG B 60 10.549 0.266 -8.042 1.00 0.00 H new ATOM 0 HB3 ARG B 60 10.693 -0.681 -6.574 1.00 0.00 H new ATOM 0 HG2 ARG B 60 9.225 -2.426 -7.536 1.00 0.00 H new ATOM 0 HG3 ARG B 60 9.029 -1.473 -8.994 1.00 0.00 H new ATOM 0 HD2 ARG B 60 11.469 -1.602 -9.423 1.00 0.00 H new ATOM 0 HD3 ARG B 60 11.690 -2.522 -7.948 1.00 0.00 H new ATOM 0 HE ARG B 60 10.875 -3.561 -10.495 1.00 0.00 H new ATOM 0 HH11 ARG B 60 10.296 -3.919 -7.024 1.00 0.00 H new ATOM 0 HH12 ARG B 60 9.754 -5.593 -7.174 1.00 0.00 H new ATOM 0 HH21 ARG B 60 10.161 -5.702 -10.672 1.00 0.00 H new ATOM 0 HH22 ARG B 60 9.678 -6.596 -9.227 1.00 0.00 H new ATOM 2416 N ASN B 61 6.605 0.928 -7.695 1.00 0.00 N ATOM 2417 CA ASN B 61 5.638 1.394 -8.692 1.00 0.00 C ATOM 2418 C ASN B 61 4.218 1.203 -8.170 1.00 0.00 C ATOM 2419 O ASN B 61 3.555 0.223 -8.512 1.00 0.00 O ATOM 2420 CB ASN B 61 5.802 0.636 -10.018 1.00 0.00 C ATOM 2421 CG ASN B 61 4.828 1.084 -11.102 1.00 0.00 C ATOM 2422 OD1 ASN B 61 4.140 2.206 -10.890 1.00 0.00 O flip ATOM 2423 ND2 ASN B 61 4.713 0.435 -12.143 1.00 0.00 N flip ATOM 0 H ASN B 61 6.206 0.775 -6.769 1.00 0.00 H new ATOM 0 HA ASN B 61 5.824 2.453 -8.872 1.00 0.00 H new ATOM 0 HB2 ASN B 61 6.822 0.770 -10.380 1.00 0.00 H new ATOM 0 HB3 ASN B 61 5.665 -0.430 -9.837 1.00 0.00 H new ATOM 0 HD21 ASN B 61 5.254 -0.420 -12.274 1.00 0.00 H new ATOM 0 HD22 ASN B 61 4.077 0.752 -12.874 1.00 0.00 H new ATOM 2430 N PHE B 62 3.754 2.124 -7.330 1.00 0.00 N ATOM 2431 CA PHE B 62 2.413 2.010 -6.770 1.00 0.00 C ATOM 2432 C PHE B 62 2.013 3.240 -5.963 1.00 0.00 C ATOM 2433 O PHE B 62 2.818 3.817 -5.233 1.00 0.00 O ATOM 2434 CB PHE B 62 2.338 0.770 -5.880 1.00 0.00 C ATOM 2435 CG PHE B 62 3.215 0.849 -4.658 1.00 0.00 C ATOM 2436 CD1 PHE B 62 2.878 1.679 -3.601 1.00 0.00 C ATOM 2437 CD2 PHE B 62 4.379 0.101 -4.572 1.00 0.00 C ATOM 2438 CE1 PHE B 62 3.684 1.758 -2.480 1.00 0.00 C ATOM 2439 CE2 PHE B 62 5.187 0.177 -3.455 1.00 0.00 C ATOM 2440 CZ PHE B 62 4.840 1.007 -2.407 1.00 0.00 C ATOM 0 H PHE B 62 4.278 2.945 -7.026 1.00 0.00 H new ATOM 0 HA PHE B 62 1.716 1.926 -7.604 1.00 0.00 H new ATOM 0 HB2 PHE B 62 1.305 0.621 -5.566 1.00 0.00 H new ATOM 0 HB3 PHE B 62 2.623 -0.104 -6.465 1.00 0.00 H new ATOM 0 HD1 PHE B 62 1.976 2.271 -3.653 1.00 0.00 H new ATOM 0 HD2 PHE B 62 4.657 -0.549 -5.388 1.00 0.00 H new ATOM 0 HE1 PHE B 62 3.409 2.407 -1.662 1.00 0.00 H new ATOM 0 HE2 PHE B 62 6.090 -0.413 -3.401 1.00 0.00 H new ATOM 0 HZ PHE B 62 5.471 1.068 -1.533 1.00 0.00 H new ATOM 2450 N GLY B 63 0.744 3.614 -6.086 1.00 0.00 N ATOM 2451 CA GLY B 63 0.217 4.751 -5.347 1.00 0.00 C ATOM 2452 C GLY B 63 -0.677 4.292 -4.213 1.00 0.00 C ATOM 2453 O GLY B 63 -1.415 3.319 -4.368 1.00 0.00 O ATOM 0 H GLY B 63 0.065 3.148 -6.688 1.00 0.00 H new ATOM 0 HA2 GLY B 63 1.040 5.344 -4.949 1.00 0.00 H new ATOM 0 HA3 GLY B 63 -0.346 5.398 -6.020 1.00 0.00 H new ATOM 2457 N SER B 64 -0.608 4.955 -3.058 1.00 0.00 N ATOM 2458 CA SER B 64 -1.428 4.531 -1.925 1.00 0.00 C ATOM 2459 C SER B 64 -1.689 5.640 -0.908 1.00 0.00 C ATOM 2460 O SER B 64 -0.898 6.575 -0.750 1.00 0.00 O ATOM 2461 CB SER B 64 -0.763 3.348 -1.220 1.00 0.00 C ATOM 2462 OG SER B 64 0.548 3.679 -0.797 1.00 0.00 O ATOM 0 H SER B 64 -0.011 5.764 -2.885 1.00 0.00 H new ATOM 0 HA SER B 64 -2.396 4.246 -2.338 1.00 0.00 H new ATOM 0 HB2 SER B 64 -1.362 3.050 -0.359 1.00 0.00 H new ATOM 0 HB3 SER B 64 -0.726 2.493 -1.894 1.00 0.00 H new ATOM 0 HG SER B 64 0.951 2.907 -0.348 1.00 0.00 H new ATOM 2468 N TYR B 65 -2.813 5.490 -0.204 1.00 0.00 N ATOM 2469 CA TYR B 65 -3.237 6.417 0.840 1.00 0.00 C ATOM 2470 C TYR B 65 -3.526 5.647 2.125 1.00 0.00 C ATOM 2471 O TYR B 65 -4.024 4.523 2.080 1.00 0.00 O ATOM 2472 CB TYR B 65 -4.484 7.195 0.412 1.00 0.00 C ATOM 2473 CG TYR B 65 -4.199 8.360 -0.505 1.00 0.00 C ATOM 2474 CD1 TYR B 65 -3.408 9.418 -0.081 1.00 0.00 C ATOM 2475 CD2 TYR B 65 -4.728 8.409 -1.788 1.00 0.00 C ATOM 2476 CE1 TYR B 65 -3.149 10.493 -0.907 1.00 0.00 C ATOM 2477 CE2 TYR B 65 -4.474 9.480 -2.623 1.00 0.00 C ATOM 2478 CZ TYR B 65 -3.684 10.520 -2.178 1.00 0.00 C ATOM 2479 OH TYR B 65 -3.429 11.589 -3.005 1.00 0.00 O ATOM 0 H TYR B 65 -3.459 4.713 -0.346 1.00 0.00 H new ATOM 0 HA TYR B 65 -2.431 7.131 1.013 1.00 0.00 H new ATOM 0 HB2 TYR B 65 -5.171 6.512 -0.088 1.00 0.00 H new ATOM 0 HB3 TYR B 65 -4.993 7.564 1.303 1.00 0.00 H new ATOM 0 HD1 TYR B 65 -2.987 9.400 0.914 1.00 0.00 H new ATOM 0 HD2 TYR B 65 -5.348 7.597 -2.139 1.00 0.00 H new ATOM 0 HE1 TYR B 65 -2.531 11.308 -0.560 1.00 0.00 H new ATOM 0 HE2 TYR B 65 -4.892 9.503 -3.619 1.00 0.00 H new ATOM 0 HH TYR B 65 -3.879 11.452 -3.865 1.00 0.00 H new ATOM 2489 N VAL B 66 -3.195 6.240 3.268 1.00 0.00 N ATOM 2490 CA VAL B 66 -3.404 5.586 4.558 1.00 0.00 C ATOM 2491 C VAL B 66 -3.488 6.605 5.688 1.00 0.00 C ATOM 2492 O VAL B 66 -3.073 7.740 5.529 1.00 0.00 O ATOM 2493 CB VAL B 66 -2.249 4.616 4.874 1.00 0.00 C ATOM 2494 CG1 VAL B 66 -2.529 3.834 6.150 1.00 0.00 C ATOM 2495 CG2 VAL B 66 -1.997 3.672 3.707 1.00 0.00 C ATOM 0 H VAL B 66 -2.782 7.171 3.329 1.00 0.00 H new ATOM 0 HA VAL B 66 -4.344 5.039 4.486 1.00 0.00 H new ATOM 0 HB VAL B 66 -1.347 5.208 5.031 1.00 0.00 H new ATOM 0 HG11 VAL B 66 -1.699 3.157 6.351 1.00 0.00 H new ATOM 0 HG12 VAL B 66 -2.642 4.527 6.984 1.00 0.00 H new ATOM 0 HG13 VAL B 66 -3.447 3.258 6.030 1.00 0.00 H new ATOM 0 HG21 VAL B 66 -1.177 2.998 3.955 1.00 0.00 H new ATOM 0 HG22 VAL B 66 -2.897 3.091 3.508 1.00 0.00 H new ATOM 0 HG23 VAL B 66 -1.736 4.251 2.821 1.00 0.00 H new ATOM 2505 N THR B 67 -4.016 6.182 6.831 1.00 0.00 N ATOM 2506 CA THR B 67 -4.137 7.048 8.004 1.00 0.00 C ATOM 2507 C THR B 67 -3.185 6.562 9.095 1.00 0.00 C ATOM 2508 O THR B 67 -2.981 5.358 9.254 1.00 0.00 O ATOM 2509 CB THR B 67 -5.585 7.041 8.508 1.00 0.00 C ATOM 2510 OG1 THR B 67 -6.453 7.607 7.542 1.00 0.00 O ATOM 2511 CG2 THR B 67 -5.790 7.795 9.806 1.00 0.00 C ATOM 0 H THR B 67 -4.371 5.236 6.973 1.00 0.00 H new ATOM 0 HA THR B 67 -3.871 8.070 7.734 1.00 0.00 H new ATOM 0 HB THR B 67 -5.814 5.990 8.687 1.00 0.00 H new ATOM 0 HG1 THR B 67 -7.287 7.093 7.510 1.00 0.00 H new ATOM 0 HG21 THR B 67 -6.840 7.743 10.095 1.00 0.00 H new ATOM 0 HG22 THR B 67 -5.176 7.348 10.588 1.00 0.00 H new ATOM 0 HG23 THR B 67 -5.502 8.838 9.671 1.00 0.00 H new ATOM 2519 N HIS B 68 -2.581 7.493 9.827 1.00 0.00 N ATOM 2520 CA HIS B 68 -1.629 7.129 10.870 1.00 0.00 C ATOM 2521 C HIS B 68 -1.474 8.235 11.910 1.00 0.00 C ATOM 2522 O HIS B 68 -1.345 9.411 11.573 1.00 0.00 O ATOM 2523 CB HIS B 68 -0.281 6.841 10.222 1.00 0.00 C ATOM 2524 CG HIS B 68 0.213 7.995 9.414 1.00 0.00 C ATOM 2525 ND1 HIS B 68 0.842 9.088 9.969 1.00 0.00 N ATOM 2526 CD2 HIS B 68 0.117 8.251 8.088 1.00 0.00 C ATOM 2527 CE1 HIS B 68 1.111 9.966 9.020 1.00 0.00 C ATOM 2528 NE2 HIS B 68 0.684 9.482 7.869 1.00 0.00 N ATOM 0 H HIS B 68 -2.732 8.496 9.719 1.00 0.00 H new ATOM 0 HA HIS B 68 -2.004 6.246 11.387 1.00 0.00 H new ATOM 0 HB2 HIS B 68 0.449 6.602 10.996 1.00 0.00 H new ATOM 0 HB3 HIS B 68 -0.367 5.962 9.583 1.00 0.00 H new ATOM 0 HD1 HIS B 68 1.065 9.201 10.958 1.00 0.00 H new ATOM 0 HD2 HIS B 68 -0.324 7.607 7.342 1.00 0.00 H new ATOM 0 HE1 HIS B 68 1.598 10.919 9.162 1.00 0.00 H new ATOM 2537 N GLU B 69 -1.476 7.834 13.175 1.00 0.00 N ATOM 2538 CA GLU B 69 -1.329 8.765 14.289 1.00 0.00 C ATOM 2539 C GLU B 69 -0.055 9.599 14.148 1.00 0.00 C ATOM 2540 O GLU B 69 0.968 9.110 13.668 1.00 0.00 O ATOM 2541 CB GLU B 69 -1.306 7.984 15.604 1.00 0.00 C ATOM 2542 CG GLU B 69 -1.114 8.853 16.834 1.00 0.00 C ATOM 2543 CD GLU B 69 -2.210 9.888 16.997 1.00 0.00 C ATOM 2544 OE1 GLU B 69 -3.388 9.490 17.120 1.00 0.00 O ATOM 2545 OE2 GLU B 69 -1.891 11.095 17.001 1.00 0.00 O ATOM 0 H GLU B 69 -1.579 6.859 13.458 1.00 0.00 H new ATOM 0 HA GLU B 69 -2.177 9.450 14.284 1.00 0.00 H new ATOM 0 HB2 GLU B 69 -2.241 7.432 15.704 1.00 0.00 H new ATOM 0 HB3 GLU B 69 -0.504 7.247 15.563 1.00 0.00 H new ATOM 0 HG2 GLU B 69 -1.084 8.219 17.720 1.00 0.00 H new ATOM 0 HG3 GLU B 69 -0.150 9.358 16.770 1.00 0.00 H new ATOM 2552 N THR B 70 -0.125 10.861 14.570 1.00 0.00 N ATOM 2553 CA THR B 70 1.022 11.763 14.492 1.00 0.00 C ATOM 2554 C THR B 70 2.256 11.158 15.151 1.00 0.00 C ATOM 2555 O THR B 70 2.153 10.420 16.129 1.00 0.00 O ATOM 2556 CB THR B 70 0.706 13.106 15.148 1.00 0.00 C ATOM 2557 OG1 THR B 70 0.164 12.919 16.443 1.00 0.00 O ATOM 2558 CG2 THR B 70 -0.261 13.955 14.357 1.00 0.00 C ATOM 0 H THR B 70 -0.964 11.281 14.969 1.00 0.00 H new ATOM 0 HA THR B 70 1.233 11.919 13.434 1.00 0.00 H new ATOM 0 HB THR B 70 1.660 13.631 15.193 1.00 0.00 H new ATOM 0 HG1 THR B 70 -0.631 12.349 16.386 1.00 0.00 H new ATOM 0 HG21 THR B 70 -0.438 14.893 14.884 1.00 0.00 H new ATOM 0 HG22 THR B 70 0.160 14.165 13.374 1.00 0.00 H new ATOM 0 HG23 THR B 70 -1.204 13.421 14.241 1.00 0.00 H new ATOM 2566 N LYS B 71 3.422 11.481 14.603 1.00 0.00 N ATOM 2567 CA LYS B 71 4.686 10.976 15.124 1.00 0.00 C ATOM 2568 C LYS B 71 4.760 9.466 14.975 1.00 0.00 C ATOM 2569 O LYS B 71 5.303 8.764 15.827 1.00 0.00 O ATOM 2570 CB LYS B 71 4.864 11.387 16.586 1.00 0.00 C ATOM 2571 CG LYS B 71 4.852 12.893 16.785 1.00 0.00 C ATOM 2572 CD LYS B 71 5.888 13.571 15.900 1.00 0.00 C ATOM 2573 CE LYS B 71 5.779 15.083 15.970 1.00 0.00 C ATOM 2574 NZ LYS B 71 4.433 15.564 15.552 1.00 0.00 N ATOM 0 H LYS B 71 3.518 12.094 13.793 1.00 0.00 H new ATOM 0 HA LYS B 71 5.499 11.414 14.545 1.00 0.00 H new ATOM 0 HB2 LYS B 71 4.068 10.941 17.183 1.00 0.00 H new ATOM 0 HB3 LYS B 71 5.806 10.984 16.959 1.00 0.00 H new ATOM 0 HG2 LYS B 71 3.861 13.285 16.556 1.00 0.00 H new ATOM 0 HG3 LYS B 71 5.054 13.126 17.830 1.00 0.00 H new ATOM 0 HD2 LYS B 71 6.887 13.263 16.207 1.00 0.00 H new ATOM 0 HD3 LYS B 71 5.757 13.244 14.869 1.00 0.00 H new ATOM 0 HE2 LYS B 71 5.983 15.415 16.988 1.00 0.00 H new ATOM 0 HE3 LYS B 71 6.539 15.532 15.331 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 4.486 16.572 15.304 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 4.111 15.020 14.726 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 3.760 15.435 16.334 1.00 0.00 H new ATOM 2588 N HIS B 72 4.220 8.985 13.864 1.00 0.00 N ATOM 2589 CA HIS B 72 4.219 7.566 13.550 1.00 0.00 C ATOM 2590 C HIS B 72 4.061 7.370 12.050 1.00 0.00 C ATOM 2591 O HIS B 72 3.023 6.910 11.573 1.00 0.00 O ATOM 2592 CB HIS B 72 3.102 6.832 14.299 1.00 0.00 C ATOM 2593 CG HIS B 72 3.233 6.889 15.790 1.00 0.00 C ATOM 2594 ND1 HIS B 72 2.945 8.014 16.532 1.00 0.00 N ATOM 2595 CD2 HIS B 72 3.636 5.951 16.677 1.00 0.00 C ATOM 2596 CE1 HIS B 72 3.166 7.765 17.811 1.00 0.00 C ATOM 2597 NE2 HIS B 72 3.585 6.519 17.926 1.00 0.00 N ATOM 0 H HIS B 72 3.771 9.568 13.157 1.00 0.00 H new ATOM 0 HA HIS B 72 5.171 7.144 13.872 1.00 0.00 H new ATOM 0 HB2 HIS B 72 2.142 7.261 14.012 1.00 0.00 H new ATOM 0 HB3 HIS B 72 3.092 5.788 13.984 1.00 0.00 H new ATOM 0 HD1 HIS B 72 2.613 8.901 16.153 1.00 0.00 H new ATOM 0 HD2 HIS B 72 3.942 4.941 16.446 1.00 0.00 H new ATOM 0 HE1 HIS B 72 3.027 8.463 18.624 1.00 0.00 H new ATOM 2606 N PHE B 73 5.100 7.741 11.311 1.00 0.00 N ATOM 2607 CA PHE B 73 5.098 7.626 9.859 1.00 0.00 C ATOM 2608 C PHE B 73 6.516 7.741 9.312 1.00 0.00 C ATOM 2609 O PHE B 73 7.301 8.567 9.775 1.00 0.00 O ATOM 2610 CB PHE B 73 4.205 8.707 9.240 1.00 0.00 C ATOM 2611 CG PHE B 73 4.284 8.766 7.741 1.00 0.00 C ATOM 2612 CD1 PHE B 73 3.957 7.663 6.970 1.00 0.00 C ATOM 2613 CD2 PHE B 73 4.693 9.927 7.104 1.00 0.00 C ATOM 2614 CE1 PHE B 73 4.034 7.717 5.592 1.00 0.00 C ATOM 2615 CE2 PHE B 73 4.773 9.986 5.725 1.00 0.00 C ATOM 2616 CZ PHE B 73 4.445 8.880 4.969 1.00 0.00 C ATOM 0 H PHE B 73 5.961 8.127 11.698 1.00 0.00 H new ATOM 0 HA PHE B 73 4.700 6.647 9.592 1.00 0.00 H new ATOM 0 HB2 PHE B 73 3.171 8.525 9.534 1.00 0.00 H new ATOM 0 HB3 PHE B 73 4.487 9.677 9.649 1.00 0.00 H new ATOM 0 HD1 PHE B 73 3.638 6.750 7.452 1.00 0.00 H new ATOM 0 HD2 PHE B 73 4.952 10.795 7.691 1.00 0.00 H new ATOM 0 HE1 PHE B 73 3.773 6.851 5.002 1.00 0.00 H new ATOM 0 HE2 PHE B 73 5.092 10.897 5.240 1.00 0.00 H new ATOM 0 HZ PHE B 73 4.509 8.923 3.892 1.00 0.00 H new ATOM 2626 N ILE B 74 6.843 6.905 8.332 1.00 0.00 N ATOM 2627 CA ILE B 74 8.174 6.927 7.745 1.00 0.00 C ATOM 2628 C ILE B 74 8.196 6.303 6.352 1.00 0.00 C ATOM 2629 O ILE B 74 7.614 5.244 6.116 1.00 0.00 O ATOM 2630 CB ILE B 74 9.186 6.186 8.645 1.00 0.00 C ATOM 2631 CG1 ILE B 74 10.594 6.266 8.052 1.00 0.00 C ATOM 2632 CG2 ILE B 74 8.765 4.737 8.833 1.00 0.00 C ATOM 2633 CD1 ILE B 74 11.638 5.566 8.891 1.00 0.00 C ATOM 0 H ILE B 74 6.211 6.211 7.932 1.00 0.00 H new ATOM 0 HA ILE B 74 8.458 7.976 7.659 1.00 0.00 H new ATOM 0 HB ILE B 74 9.200 6.671 9.621 1.00 0.00 H new ATOM 0 HG12 ILE B 74 10.586 5.827 7.054 1.00 0.00 H new ATOM 0 HG13 ILE B 74 10.873 7.313 7.937 1.00 0.00 H new ATOM 0 HG21 ILE B 74 9.488 4.228 9.470 1.00 0.00 H new ATOM 0 HG22 ILE B 74 7.781 4.702 9.301 1.00 0.00 H new ATOM 0 HG23 ILE B 74 8.723 4.241 7.863 1.00 0.00 H new ATOM 0 HD11 ILE B 74 12.613 5.661 8.413 1.00 0.00 H new ATOM 0 HD12 ILE B 74 11.673 6.020 9.881 1.00 0.00 H new ATOM 0 HD13 ILE B 74 11.382 4.511 8.985 1.00 0.00 H new ATOM 2645 N TYR B 75 8.890 6.974 5.439 1.00 0.00 N ATOM 2646 CA TYR B 75 9.028 6.512 4.064 1.00 0.00 C ATOM 2647 C TYR B 75 10.469 6.716 3.612 1.00 0.00 C ATOM 2648 O TYR B 75 11.056 7.772 3.857 1.00 0.00 O ATOM 2649 CB TYR B 75 8.067 7.272 3.145 1.00 0.00 C ATOM 2650 CG TYR B 75 8.081 6.793 1.710 1.00 0.00 C ATOM 2651 CD1 TYR B 75 9.209 6.944 0.912 1.00 0.00 C ATOM 2652 CD2 TYR B 75 6.963 6.184 1.154 1.00 0.00 C ATOM 2653 CE1 TYR B 75 9.221 6.505 -0.398 1.00 0.00 C ATOM 2654 CE2 TYR B 75 6.968 5.742 -0.156 1.00 0.00 C ATOM 2655 CZ TYR B 75 8.097 5.905 -0.927 1.00 0.00 C ATOM 2656 OH TYR B 75 8.106 5.465 -2.231 1.00 0.00 O ATOM 0 H TYR B 75 9.372 7.852 5.632 1.00 0.00 H new ATOM 0 HA TYR B 75 8.778 5.452 4.011 1.00 0.00 H new ATOM 0 HB2 TYR B 75 7.055 7.180 3.538 1.00 0.00 H new ATOM 0 HB3 TYR B 75 8.322 8.332 3.166 1.00 0.00 H new ATOM 0 HD1 TYR B 75 10.091 7.412 1.323 1.00 0.00 H new ATOM 0 HD2 TYR B 75 6.075 6.054 1.755 1.00 0.00 H new ATOM 0 HE1 TYR B 75 10.106 6.631 -1.005 1.00 0.00 H new ATOM 0 HE2 TYR B 75 6.090 5.271 -0.573 1.00 0.00 H new ATOM 0 HH TYR B 75 9.030 5.417 -2.554 1.00 0.00 H new ATOM 2666 N PHE B 76 11.053 5.706 2.976 1.00 0.00 N ATOM 2667 CA PHE B 76 12.439 5.807 2.532 1.00 0.00 C ATOM 2668 C PHE B 76 12.804 4.708 1.541 1.00 0.00 C ATOM 2669 O PHE B 76 12.367 3.565 1.669 1.00 0.00 O ATOM 2670 CB PHE B 76 13.372 5.743 3.747 1.00 0.00 C ATOM 2671 CG PHE B 76 13.304 4.442 4.499 1.00 0.00 C ATOM 2672 CD1 PHE B 76 13.812 3.278 3.945 1.00 0.00 C ATOM 2673 CD2 PHE B 76 12.730 4.384 5.760 1.00 0.00 C ATOM 2674 CE1 PHE B 76 13.750 2.082 4.633 1.00 0.00 C ATOM 2675 CE2 PHE B 76 12.666 3.190 6.452 1.00 0.00 C ATOM 2676 CZ PHE B 76 13.177 2.038 5.887 1.00 0.00 C ATOM 0 H PHE B 76 10.597 4.820 2.759 1.00 0.00 H new ATOM 0 HA PHE B 76 12.556 6.762 2.019 1.00 0.00 H new ATOM 0 HB2 PHE B 76 14.397 5.906 3.415 1.00 0.00 H new ATOM 0 HB3 PHE B 76 13.124 6.558 4.427 1.00 0.00 H new ATOM 0 HD1 PHE B 76 14.262 3.306 2.964 1.00 0.00 H new ATOM 0 HD2 PHE B 76 12.329 5.282 6.206 1.00 0.00 H new ATOM 0 HE1 PHE B 76 14.150 1.182 4.190 1.00 0.00 H new ATOM 0 HE2 PHE B 76 12.217 3.157 7.434 1.00 0.00 H new ATOM 0 HZ PHE B 76 13.128 1.104 6.426 1.00 0.00 H new ATOM 2686 N TYR B 77 13.629 5.066 0.560 1.00 0.00 N ATOM 2687 CA TYR B 77 14.087 4.116 -0.446 1.00 0.00 C ATOM 2688 C TYR B 77 15.168 3.215 0.142 1.00 0.00 C ATOM 2689 O TYR B 77 15.953 3.649 0.982 1.00 0.00 O ATOM 2690 CB TYR B 77 14.630 4.850 -1.676 1.00 0.00 C ATOM 2691 CG TYR B 77 13.571 5.584 -2.470 1.00 0.00 C ATOM 2692 CD1 TYR B 77 12.829 6.612 -1.901 1.00 0.00 C ATOM 2693 CD2 TYR B 77 13.313 5.244 -3.792 1.00 0.00 C ATOM 2694 CE1 TYR B 77 11.862 7.281 -2.628 1.00 0.00 C ATOM 2695 CE2 TYR B 77 12.348 5.910 -4.525 1.00 0.00 C ATOM 2696 CZ TYR B 77 11.626 6.926 -3.939 1.00 0.00 C ATOM 2697 OH TYR B 77 10.664 7.590 -4.665 1.00 0.00 O ATOM 0 H TYR B 77 13.994 6.011 0.442 1.00 0.00 H new ATOM 0 HA TYR B 77 13.239 3.505 -0.755 1.00 0.00 H new ATOM 0 HB2 TYR B 77 15.389 5.563 -1.355 1.00 0.00 H new ATOM 0 HB3 TYR B 77 15.125 4.130 -2.328 1.00 0.00 H new ATOM 0 HD1 TYR B 77 13.011 6.893 -0.874 1.00 0.00 H new ATOM 0 HD2 TYR B 77 13.875 4.446 -4.255 1.00 0.00 H new ATOM 0 HE1 TYR B 77 11.294 8.078 -2.171 1.00 0.00 H new ATOM 0 HE2 TYR B 77 12.161 5.635 -5.552 1.00 0.00 H new ATOM 0 HH TYR B 77 10.624 7.219 -5.571 1.00 0.00 H new ATOM 2707 N LEU B 78 15.197 1.964 -0.295 1.00 0.00 N ATOM 2708 CA LEU B 78 16.180 1.001 0.196 1.00 0.00 C ATOM 2709 C LEU B 78 16.179 -0.260 -0.656 1.00 0.00 C ATOM 2710 O LEU B 78 15.127 -0.725 -1.093 1.00 0.00 O ATOM 2711 CB LEU B 78 15.891 0.639 1.653 1.00 0.00 C ATOM 2712 CG LEU B 78 16.868 -0.362 2.275 1.00 0.00 C ATOM 2713 CD1 LEU B 78 18.303 0.123 2.121 1.00 0.00 C ATOM 2714 CD2 LEU B 78 16.535 -0.590 3.742 1.00 0.00 C ATOM 0 H LEU B 78 14.551 1.589 -0.990 1.00 0.00 H new ATOM 0 HA LEU B 78 17.164 1.465 0.131 1.00 0.00 H new ATOM 0 HB2 LEU B 78 15.902 1.552 2.248 1.00 0.00 H new ATOM 0 HB3 LEU B 78 14.883 0.229 1.717 1.00 0.00 H new ATOM 0 HG LEU B 78 16.769 -1.311 1.748 1.00 0.00 H new ATOM 0 HD11 LEU B 78 18.982 -0.602 2.569 1.00 0.00 H new ATOM 0 HD12 LEU B 78 18.538 0.234 1.062 1.00 0.00 H new ATOM 0 HD13 LEU B 78 18.418 1.085 2.621 1.00 0.00 H new ATOM 0 HD21 LEU B 78 17.239 -1.304 4.168 1.00 0.00 H new ATOM 0 HD22 LEU B 78 16.604 0.354 4.282 1.00 0.00 H new ATOM 0 HD23 LEU B 78 15.522 -0.984 3.828 1.00 0.00 H new ATOM 2726 N GLY B 79 17.367 -0.809 -0.897 1.00 0.00 N ATOM 2727 CA GLY B 79 17.474 -2.011 -1.704 1.00 0.00 C ATOM 2728 C GLY B 79 16.794 -1.850 -3.047 1.00 0.00 C ATOM 2729 O GLY B 79 16.029 -2.715 -3.472 1.00 0.00 O ATOM 0 H GLY B 79 18.254 -0.444 -0.549 1.00 0.00 H new ATOM 0 HA2 GLY B 79 18.526 -2.254 -1.856 1.00 0.00 H new ATOM 0 HA3 GLY B 79 17.027 -2.849 -1.169 1.00 0.00 H new ATOM 2733 N GLN B 80 17.064 -0.725 -3.701 1.00 0.00 N ATOM 2734 CA GLN B 80 16.473 -0.418 -4.999 1.00 0.00 C ATOM 2735 C GLN B 80 14.967 -0.671 -4.986 1.00 0.00 C ATOM 2736 O GLN B 80 14.401 -1.167 -5.959 1.00 0.00 O ATOM 2737 CB GLN B 80 17.142 -1.230 -6.113 1.00 0.00 C ATOM 2738 CG GLN B 80 16.993 -2.736 -5.965 1.00 0.00 C ATOM 2739 CD GLN B 80 17.574 -3.497 -7.139 1.00 0.00 C ATOM 2740 OE1 GLN B 80 18.765 -3.395 -7.434 1.00 0.00 O ATOM 2741 NE2 GLN B 80 16.732 -4.269 -7.817 1.00 0.00 N ATOM 0 H GLN B 80 17.694 -0.004 -3.349 1.00 0.00 H new ATOM 0 HA GLN B 80 16.642 0.640 -5.199 1.00 0.00 H new ATOM 0 HB2 GLN B 80 16.720 -0.927 -7.071 1.00 0.00 H new ATOM 0 HB3 GLN B 80 18.203 -0.982 -6.140 1.00 0.00 H new ATOM 0 HG2 GLN B 80 17.487 -3.058 -5.048 1.00 0.00 H new ATOM 0 HG3 GLN B 80 15.937 -2.985 -5.863 1.00 0.00 H new ATOM 0 HE21 GLN B 80 15.753 -4.324 -7.538 1.00 0.00 H new ATOM 0 HE22 GLN B 80 17.065 -4.807 -8.617 1.00 0.00 H new ATOM 2750 N VAL B 81 14.328 -0.314 -3.873 1.00 0.00 N ATOM 2751 CA VAL B 81 12.888 -0.491 -3.716 1.00 0.00 C ATOM 2752 C VAL B 81 12.349 0.429 -2.623 1.00 0.00 C ATOM 2753 O VAL B 81 12.960 0.575 -1.564 1.00 0.00 O ATOM 2754 CB VAL B 81 12.524 -1.950 -3.373 1.00 0.00 C ATOM 2755 CG1 VAL B 81 12.944 -2.888 -4.494 1.00 0.00 C ATOM 2756 CG2 VAL B 81 13.159 -2.370 -2.055 1.00 0.00 C ATOM 0 H VAL B 81 14.789 0.102 -3.064 1.00 0.00 H new ATOM 0 HA VAL B 81 12.430 -0.235 -4.672 1.00 0.00 H new ATOM 0 HB VAL B 81 11.441 -2.012 -3.264 1.00 0.00 H new ATOM 0 HG11 VAL B 81 12.678 -3.912 -4.231 1.00 0.00 H new ATOM 0 HG12 VAL B 81 12.434 -2.606 -5.415 1.00 0.00 H new ATOM 0 HG13 VAL B 81 14.022 -2.820 -4.641 1.00 0.00 H new ATOM 0 HG21 VAL B 81 12.889 -3.402 -1.833 1.00 0.00 H new ATOM 0 HG22 VAL B 81 14.243 -2.287 -2.131 1.00 0.00 H new ATOM 0 HG23 VAL B 81 12.801 -1.722 -1.256 1.00 0.00 H new ATOM 2766 N ALA B 82 11.204 1.049 -2.887 1.00 0.00 N ATOM 2767 CA ALA B 82 10.587 1.958 -1.928 1.00 0.00 C ATOM 2768 C ALA B 82 10.043 1.199 -0.725 1.00 0.00 C ATOM 2769 O ALA B 82 9.446 0.134 -0.872 1.00 0.00 O ATOM 2770 CB ALA B 82 9.478 2.756 -2.596 1.00 0.00 C ATOM 0 H ALA B 82 10.684 0.939 -3.758 1.00 0.00 H new ATOM 0 HA ALA B 82 11.353 2.648 -1.574 1.00 0.00 H new ATOM 0 HB1 ALA B 82 9.026 3.430 -1.869 1.00 0.00 H new ATOM 0 HB2 ALA B 82 9.893 3.336 -3.420 1.00 0.00 H new ATOM 0 HB3 ALA B 82 8.719 2.074 -2.979 1.00 0.00 H new ATOM 2776 N ILE B 83 10.250 1.755 0.465 1.00 0.00 N ATOM 2777 CA ILE B 83 9.775 1.128 1.690 1.00 0.00 C ATOM 2778 C ILE B 83 8.940 2.107 2.513 1.00 0.00 C ATOM 2779 O ILE B 83 9.273 3.287 2.618 1.00 0.00 O ATOM 2780 CB ILE B 83 10.947 0.602 2.547 1.00 0.00 C ATOM 2781 CG1 ILE B 83 11.765 -0.415 1.748 1.00 0.00 C ATOM 2782 CG2 ILE B 83 10.430 -0.023 3.836 1.00 0.00 C ATOM 2783 CD1 ILE B 83 12.909 -1.023 2.529 1.00 0.00 C ATOM 0 H ILE B 83 10.743 2.637 0.605 1.00 0.00 H new ATOM 0 HA ILE B 83 9.152 0.282 1.398 1.00 0.00 H new ATOM 0 HB ILE B 83 11.591 1.441 2.811 1.00 0.00 H new ATOM 0 HG12 ILE B 83 11.104 -1.213 1.408 1.00 0.00 H new ATOM 0 HG13 ILE B 83 12.163 0.071 0.857 1.00 0.00 H new ATOM 0 HG21 ILE B 83 11.271 -0.388 4.426 1.00 0.00 H new ATOM 0 HG22 ILE B 83 9.882 0.725 4.409 1.00 0.00 H new ATOM 0 HG23 ILE B 83 9.767 -0.854 3.597 1.00 0.00 H new ATOM 0 HD11 ILE B 83 13.443 -1.734 1.898 1.00 0.00 H new ATOM 0 HD12 ILE B 83 13.592 -0.235 2.847 1.00 0.00 H new ATOM 0 HD13 ILE B 83 12.517 -1.539 3.406 1.00 0.00 H new ATOM 2795 N LEU B 84 7.851 1.605 3.085 1.00 0.00 N ATOM 2796 CA LEU B 84 6.960 2.433 3.890 1.00 0.00 C ATOM 2797 C LEU B 84 6.546 1.701 5.164 1.00 0.00 C ATOM 2798 O LEU B 84 6.335 0.489 5.155 1.00 0.00 O ATOM 2799 CB LEU B 84 5.720 2.814 3.078 1.00 0.00 C ATOM 2800 CG LEU B 84 4.702 3.687 3.812 1.00 0.00 C ATOM 2801 CD1 LEU B 84 5.333 5.004 4.241 1.00 0.00 C ATOM 2802 CD2 LEU B 84 3.487 3.936 2.932 1.00 0.00 C ATOM 0 H LEU B 84 7.564 0.629 3.006 1.00 0.00 H new ATOM 0 HA LEU B 84 7.495 3.340 4.172 1.00 0.00 H new ATOM 0 HB2 LEU B 84 6.042 3.338 2.178 1.00 0.00 H new ATOM 0 HB3 LEU B 84 5.223 1.900 2.754 1.00 0.00 H new ATOM 0 HG LEU B 84 4.377 3.159 4.708 1.00 0.00 H new ATOM 0 HD11 LEU B 84 4.592 5.610 4.761 1.00 0.00 H new ATOM 0 HD12 LEU B 84 6.172 4.805 4.908 1.00 0.00 H new ATOM 0 HD13 LEU B 84 5.688 5.541 3.361 1.00 0.00 H new ATOM 0 HD21 LEU B 84 2.771 4.559 3.468 1.00 0.00 H new ATOM 0 HD22 LEU B 84 3.797 4.444 2.019 1.00 0.00 H new ATOM 0 HD23 LEU B 84 3.021 2.984 2.678 1.00 0.00 H new ATOM 2814 N LEU B 85 6.439 2.448 6.258 1.00 0.00 N ATOM 2815 CA LEU B 85 6.057 1.871 7.542 1.00 0.00 C ATOM 2816 C LEU B 85 5.475 2.936 8.465 1.00 0.00 C ATOM 2817 O LEU B 85 5.914 4.088 8.455 1.00 0.00 O ATOM 2818 CB LEU B 85 7.266 1.207 8.205 1.00 0.00 C ATOM 2819 CG LEU B 85 6.989 0.558 9.562 1.00 0.00 C ATOM 2820 CD1 LEU B 85 5.954 -0.551 9.427 1.00 0.00 C ATOM 2821 CD2 LEU B 85 8.277 0.020 10.166 1.00 0.00 C ATOM 0 H LEU B 85 6.611 3.453 6.281 1.00 0.00 H new ATOM 0 HA LEU B 85 5.291 1.117 7.361 1.00 0.00 H new ATOM 0 HB2 LEU B 85 7.659 0.447 7.530 1.00 0.00 H new ATOM 0 HB3 LEU B 85 8.048 1.956 8.331 1.00 0.00 H new ATOM 0 HG LEU B 85 6.586 1.318 10.231 1.00 0.00 H new ATOM 0 HD11 LEU B 85 5.772 -0.999 10.404 1.00 0.00 H new ATOM 0 HD12 LEU B 85 5.024 -0.135 9.039 1.00 0.00 H new ATOM 0 HD13 LEU B 85 6.325 -1.313 8.741 1.00 0.00 H new ATOM 0 HD21 LEU B 85 8.062 -0.439 11.131 1.00 0.00 H new ATOM 0 HD22 LEU B 85 8.708 -0.725 9.498 1.00 0.00 H new ATOM 0 HD23 LEU B 85 8.984 0.838 10.302 1.00 0.00 H new ATOM 2833 N PHE B 86 4.483 2.544 9.260 1.00 0.00 N ATOM 2834 CA PHE B 86 3.835 3.464 10.187 1.00 0.00 C ATOM 2835 C PHE B 86 2.729 2.766 10.970 1.00 0.00 C ATOM 2836 O PHE B 86 1.926 2.025 10.404 1.00 0.00 O ATOM 2837 CB PHE B 86 3.275 4.672 9.428 1.00 0.00 C ATOM 2838 CG PHE B 86 2.316 4.324 8.324 1.00 0.00 C ATOM 2839 CD1 PHE B 86 1.051 3.835 8.604 1.00 0.00 C ATOM 2840 CD2 PHE B 86 2.687 4.491 7.000 1.00 0.00 C ATOM 2841 CE1 PHE B 86 0.173 3.520 7.583 1.00 0.00 C ATOM 2842 CE2 PHE B 86 1.815 4.178 5.977 1.00 0.00 C ATOM 2843 CZ PHE B 86 0.557 3.692 6.268 1.00 0.00 C ATOM 0 H PHE B 86 4.111 1.594 9.280 1.00 0.00 H new ATOM 0 HA PHE B 86 4.582 3.812 10.900 1.00 0.00 H new ATOM 0 HB2 PHE B 86 2.771 5.329 10.137 1.00 0.00 H new ATOM 0 HB3 PHE B 86 4.106 5.237 9.006 1.00 0.00 H new ATOM 0 HD1 PHE B 86 0.747 3.698 9.631 1.00 0.00 H new ATOM 0 HD2 PHE B 86 3.670 4.871 6.765 1.00 0.00 H new ATOM 0 HE1 PHE B 86 -0.811 3.140 7.814 1.00 0.00 H new ATOM 0 HE2 PHE B 86 2.117 4.313 4.949 1.00 0.00 H new ATOM 0 HZ PHE B 86 -0.126 3.446 5.468 1.00 0.00 H new ATOM 2853 N LYS B 87 2.697 2.997 12.281 1.00 0.00 N ATOM 2854 CA LYS B 87 1.688 2.381 13.135 1.00 0.00 C ATOM 2855 C LYS B 87 0.522 3.325 13.384 1.00 0.00 C ATOM 2856 O LYS B 87 0.576 4.506 13.043 1.00 0.00 O ATOM 2857 CB LYS B 87 2.285 1.934 14.471 1.00 0.00 C ATOM 2858 CG LYS B 87 2.703 3.077 15.381 1.00 0.00 C ATOM 2859 CD LYS B 87 3.116 2.571 16.754 1.00 0.00 C ATOM 2860 CE LYS B 87 1.967 1.868 17.460 1.00 0.00 C ATOM 2861 NZ LYS B 87 2.346 1.421 18.829 1.00 0.00 N ATOM 0 H LYS B 87 3.355 3.603 12.771 1.00 0.00 H new ATOM 0 HA LYS B 87 1.319 1.502 12.607 1.00 0.00 H new ATOM 0 HB2 LYS B 87 1.555 1.317 14.994 1.00 0.00 H new ATOM 0 HB3 LYS B 87 3.153 1.304 14.276 1.00 0.00 H new ATOM 0 HG2 LYS B 87 3.532 3.621 14.928 1.00 0.00 H new ATOM 0 HG3 LYS B 87 1.878 3.782 15.484 1.00 0.00 H new ATOM 0 HD2 LYS B 87 3.956 1.884 16.652 1.00 0.00 H new ATOM 0 HD3 LYS B 87 3.461 3.407 17.362 1.00 0.00 H new ATOM 0 HE2 LYS B 87 1.112 2.542 17.522 1.00 0.00 H new ATOM 0 HE3 LYS B 87 1.652 1.007 16.871 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 2.460 0.387 18.837 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 3.242 1.871 19.105 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 1.601 1.692 19.502 1.00 0.00 H new ATOM 2875 N SER B 88 -0.535 2.790 13.983 1.00 0.00 N ATOM 2876 CA SER B 88 -1.723 3.576 14.283 1.00 0.00 C ATOM 2877 C SER B 88 -2.402 3.070 15.549 1.00 0.00 C ATOM 2878 O SER B 88 -2.554 1.865 15.749 1.00 0.00 O ATOM 2879 CB SER B 88 -2.702 3.515 13.112 1.00 0.00 C ATOM 2880 OG SER B 88 -2.115 4.027 11.928 1.00 0.00 O ATOM 0 H SER B 88 -0.593 1.813 14.271 1.00 0.00 H new ATOM 0 HA SER B 88 -1.416 4.610 14.443 1.00 0.00 H new ATOM 0 HB2 SER B 88 -3.015 2.484 12.949 1.00 0.00 H new ATOM 0 HB3 SER B 88 -3.598 4.086 13.353 1.00 0.00 H new ATOM 0 HG SER B 88 -2.696 3.831 11.164 1.00 0.00 H new ATOM 2886 N GLY B 89 -2.807 4.003 16.400 1.00 0.00 N ATOM 2887 CA GLY B 89 -3.468 3.642 17.641 1.00 0.00 C ATOM 2888 C GLY B 89 -3.849 4.854 18.468 1.00 0.00 C ATOM 2889 O GLY B 89 -2.980 5.370 19.201 1.00 0.00 O ATOM 2890 OXT GLY B 89 -5.017 5.287 18.380 1.00 0.00 O ATOM 0 H GLY B 89 -2.690 5.006 16.254 1.00 0.00 H new ATOM 0 HA2 GLY B 89 -4.364 3.063 17.417 1.00 0.00 H new ATOM 0 HA3 GLY B 89 -2.810 2.999 18.226 1.00 0.00 H new ATOM 2895 N MET C 1 -10.530 -8.684 13.280 1.00 0.00 N ATOM 2896 CA MET C 1 -9.124 -8.320 12.966 1.00 0.00 C ATOM 2897 C MET C 1 -8.525 -9.298 11.959 1.00 0.00 C ATOM 2898 O MET C 1 -8.658 -10.511 12.103 1.00 0.00 O ATOM 2899 CB MET C 1 -8.321 -8.329 14.273 1.00 0.00 C ATOM 2900 CG MET C 1 -6.911 -7.763 14.147 1.00 0.00 C ATOM 2901 SD MET C 1 -5.789 -8.843 13.236 1.00 0.00 S ATOM 2902 CE MET C 1 -5.850 -10.322 14.244 1.00 0.00 C ATOM 0 H1 MET C 1 -11.163 -7.917 12.976 1.00 0.00 H new ATOM 0 H2 MET C 1 -10.782 -9.560 12.780 1.00 0.00 H new ATOM 0 H3 MET C 1 -10.630 -8.830 14.305 1.00 0.00 H new ATOM 0 HA MET C 1 -9.090 -7.327 12.517 1.00 0.00 H new ATOM 0 HB2 MET C 1 -8.865 -7.755 15.024 1.00 0.00 H new ATOM 0 HB3 MET C 1 -8.257 -9.354 14.640 1.00 0.00 H new ATOM 0 HG2 MET C 1 -6.958 -6.795 13.648 1.00 0.00 H new ATOM 0 HG3 MET C 1 -6.507 -7.588 15.144 1.00 0.00 H new ATOM 0 HE1 MET C 1 -4.941 -10.904 14.092 1.00 0.00 H new ATOM 0 HE2 MET C 1 -5.931 -10.043 15.295 1.00 0.00 H new ATOM 0 HE3 MET C 1 -6.716 -10.920 13.960 1.00 0.00 H new ATOM 2914 N LYS C 2 -7.861 -8.755 10.943 1.00 0.00 N ATOM 2915 CA LYS C 2 -7.234 -9.568 9.907 1.00 0.00 C ATOM 2916 C LYS C 2 -6.117 -8.801 9.220 1.00 0.00 C ATOM 2917 O LYS C 2 -6.258 -7.621 8.899 1.00 0.00 O ATOM 2918 CB LYS C 2 -8.269 -10.028 8.875 1.00 0.00 C ATOM 2919 CG LYS C 2 -9.299 -11.000 9.426 1.00 0.00 C ATOM 2920 CD LYS C 2 -8.648 -12.281 9.922 1.00 0.00 C ATOM 2921 CE LYS C 2 -9.676 -13.243 10.492 1.00 0.00 C ATOM 2922 NZ LYS C 2 -10.697 -13.631 9.479 1.00 0.00 N ATOM 0 H LYS C 2 -7.743 -7.750 10.815 1.00 0.00 H new ATOM 0 HA LYS C 2 -6.806 -10.448 10.387 1.00 0.00 H new ATOM 0 HB2 LYS C 2 -8.785 -9.154 8.478 1.00 0.00 H new ATOM 0 HB3 LYS C 2 -7.750 -10.499 8.040 1.00 0.00 H new ATOM 0 HG2 LYS C 2 -9.845 -10.528 10.243 1.00 0.00 H new ATOM 0 HG3 LYS C 2 -10.028 -11.238 8.651 1.00 0.00 H new ATOM 0 HD2 LYS C 2 -8.115 -12.761 9.101 1.00 0.00 H new ATOM 0 HD3 LYS C 2 -7.908 -12.042 10.686 1.00 0.00 H new ATOM 0 HE2 LYS C 2 -9.172 -14.137 10.860 1.00 0.00 H new ATOM 0 HE3 LYS C 2 -10.170 -12.781 11.347 1.00 0.00 H new ATOM 0 HZ1 LYS C 2 -11.243 -14.444 9.830 1.00 0.00 H new ATOM 0 HZ2 LYS C 2 -11.339 -12.831 9.309 1.00 0.00 H new ATOM 0 HZ3 LYS C 2 -10.223 -13.890 8.590 1.00 0.00 H new ATOM 2936 N ASP C 3 -4.995 -9.481 9.022 1.00 0.00 N ATOM 2937 CA ASP C 3 -3.832 -8.870 8.400 1.00 0.00 C ATOM 2938 C ASP C 3 -3.788 -9.095 6.890 1.00 0.00 C ATOM 2939 O ASP C 3 -3.627 -10.221 6.423 1.00 0.00 O ATOM 2940 CB ASP C 3 -2.558 -9.425 9.033 1.00 0.00 C ATOM 2941 CG ASP C 3 -2.502 -10.940 8.970 1.00 0.00 C ATOM 2942 OD1 ASP C 3 -3.375 -11.590 9.582 1.00 0.00 O ATOM 2943 OD2 ASP C 3 -1.594 -11.475 8.302 1.00 0.00 O ATOM 0 H ASP C 3 -4.868 -10.458 9.285 1.00 0.00 H new ATOM 0 HA ASP C 3 -3.905 -7.796 8.569 1.00 0.00 H new ATOM 0 HB2 ASP C 3 -1.689 -9.009 8.523 1.00 0.00 H new ATOM 0 HB3 ASP C 3 -2.501 -9.104 10.073 1.00 0.00 H new ATOM 2948 N THR C 4 -3.888 -8.005 6.135 1.00 0.00 N ATOM 2949 CA THR C 4 -3.813 -8.066 4.686 1.00 0.00 C ATOM 2950 C THR C 4 -2.390 -8.412 4.263 1.00 0.00 C ATOM 2951 O THR C 4 -1.425 -7.917 4.844 1.00 0.00 O ATOM 2952 CB THR C 4 -4.221 -6.728 4.072 1.00 0.00 C ATOM 2953 OG1 THR C 4 -5.584 -6.450 4.323 1.00 0.00 O ATOM 2954 CG2 THR C 4 -4.005 -6.653 2.576 1.00 0.00 C ATOM 0 H THR C 4 -4.022 -7.066 6.509 1.00 0.00 H new ATOM 0 HA THR C 4 -4.498 -8.836 4.331 1.00 0.00 H new ATOM 0 HB THR C 4 -3.573 -5.993 4.550 1.00 0.00 H new ATOM 0 HG1 THR C 4 -5.979 -7.185 4.837 1.00 0.00 H new ATOM 0 HG21 THR C 4 -4.317 -5.674 2.212 1.00 0.00 H new ATOM 0 HG22 THR C 4 -2.949 -6.803 2.353 1.00 0.00 H new ATOM 0 HG23 THR C 4 -4.593 -7.428 2.084 1.00 0.00 H new ATOM 2962 N GLY C 5 -2.264 -9.255 3.251 1.00 0.00 N ATOM 2963 CA GLY C 5 -0.951 -9.639 2.774 1.00 0.00 C ATOM 2964 C GLY C 5 -0.973 -10.017 1.315 1.00 0.00 C ATOM 2965 O GLY C 5 -1.712 -10.914 0.912 1.00 0.00 O ATOM 0 H GLY C 5 -3.045 -9.680 2.751 1.00 0.00 H new ATOM 0 HA2 GLY C 5 -0.254 -8.815 2.925 1.00 0.00 H new ATOM 0 HA3 GLY C 5 -0.583 -10.480 3.362 1.00 0.00 H new ATOM 2969 N ILE C 6 -0.168 -9.328 0.514 1.00 0.00 N ATOM 2970 CA ILE C 6 -0.115 -9.593 -0.914 1.00 0.00 C ATOM 2971 C ILE C 6 1.153 -9.036 -1.551 1.00 0.00 C ATOM 2972 O ILE C 6 1.593 -7.930 -1.238 1.00 0.00 O ATOM 2973 CB ILE C 6 -1.352 -9.013 -1.634 1.00 0.00 C ATOM 2974 CG1 ILE C 6 -1.615 -7.567 -1.201 1.00 0.00 C ATOM 2975 CG2 ILE C 6 -2.579 -9.872 -1.365 1.00 0.00 C ATOM 2976 CD1 ILE C 6 -0.658 -6.562 -1.797 1.00 0.00 C ATOM 0 H ILE C 6 0.454 -8.584 0.831 1.00 0.00 H new ATOM 0 HA ILE C 6 -0.108 -10.677 -1.030 1.00 0.00 H new ATOM 0 HB ILE C 6 -1.147 -9.017 -2.705 1.00 0.00 H new ATOM 0 HG12 ILE C 6 -2.633 -7.294 -1.481 1.00 0.00 H new ATOM 0 HG13 ILE C 6 -1.557 -7.508 -0.114 1.00 0.00 H new ATOM 0 HG21 ILE C 6 -3.440 -9.447 -1.881 1.00 0.00 H new ATOM 0 HG22 ILE C 6 -2.401 -10.884 -1.728 1.00 0.00 H new ATOM 0 HG23 ILE C 6 -2.775 -9.900 -0.293 1.00 0.00 H new ATOM 0 HD11 ILE C 6 -0.911 -5.563 -1.442 1.00 0.00 H new ATOM 0 HD12 ILE C 6 0.361 -6.807 -1.496 1.00 0.00 H new ATOM 0 HD13 ILE C 6 -0.732 -6.590 -2.884 1.00 0.00 H new ATOM 2988 N GLN C 7 1.735 -9.824 -2.450 1.00 0.00 N ATOM 2989 CA GLN C 7 2.951 -9.433 -3.151 1.00 0.00 C ATOM 2990 C GLN C 7 2.647 -9.132 -4.617 1.00 0.00 C ATOM 2991 O GLN C 7 2.952 -9.928 -5.503 1.00 0.00 O ATOM 2992 CB GLN C 7 4.004 -10.539 -3.042 1.00 0.00 C ATOM 2993 CG GLN C 7 3.519 -11.899 -3.515 1.00 0.00 C ATOM 2994 CD GLN C 7 4.576 -12.976 -3.369 1.00 0.00 C ATOM 2995 OE1 GLN C 7 5.656 -12.886 -3.952 1.00 0.00 O ATOM 2996 NE2 GLN C 7 4.268 -14.005 -2.588 1.00 0.00 N ATOM 0 H GLN C 7 1.380 -10.744 -2.711 1.00 0.00 H new ATOM 0 HA GLN C 7 3.345 -8.529 -2.687 1.00 0.00 H new ATOM 0 HB2 GLN C 7 4.879 -10.253 -3.626 1.00 0.00 H new ATOM 0 HB3 GLN C 7 4.326 -10.620 -2.004 1.00 0.00 H new ATOM 0 HG2 GLN C 7 2.634 -12.184 -2.946 1.00 0.00 H new ATOM 0 HG3 GLN C 7 3.217 -11.830 -4.560 1.00 0.00 H new ATOM 0 HE21 GLN C 7 3.361 -14.039 -2.124 1.00 0.00 H new ATOM 0 HE22 GLN C 7 4.939 -14.761 -2.453 1.00 0.00 H new ATOM 3005 N VAL C 8 2.030 -7.982 -4.863 1.00 0.00 N ATOM 3006 CA VAL C 8 1.669 -7.588 -6.219 1.00 0.00 C ATOM 3007 C VAL C 8 2.905 -7.267 -7.051 1.00 0.00 C ATOM 3008 O VAL C 8 3.829 -6.599 -6.587 1.00 0.00 O ATOM 3009 CB VAL C 8 0.730 -6.365 -6.216 1.00 0.00 C ATOM 3010 CG1 VAL C 8 0.272 -6.030 -7.628 1.00 0.00 C ATOM 3011 CG2 VAL C 8 -0.461 -6.606 -5.303 1.00 0.00 C ATOM 0 H VAL C 8 1.770 -7.308 -4.143 1.00 0.00 H new ATOM 0 HA VAL C 8 1.149 -8.436 -6.666 1.00 0.00 H new ATOM 0 HB VAL C 8 1.286 -5.510 -5.831 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -0.389 -5.164 -7.600 1.00 0.00 H new ATOM 0 HG12 VAL C 8 1.140 -5.804 -8.248 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -0.263 -6.882 -8.049 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -1.111 -5.731 -5.315 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -1.017 -7.476 -5.652 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -0.110 -6.783 -4.286 1.00 0.00 H new ATOM 3222 N ASP D 3 -3.486 11.321 7.040 1.00 0.00 N ATOM 3223 CA ASP D 3 -3.540 10.417 5.902 1.00 0.00 C ATOM 3224 C ASP D 3 -2.310 10.560 5.013 1.00 0.00 C ATOM 3225 O ASP D 3 -2.129 11.577 4.343 1.00 0.00 O ATOM 3226 CB ASP D 3 -4.805 10.678 5.082 1.00 0.00 C ATOM 3227 CG ASP D 3 -4.865 12.095 4.547 1.00 0.00 C ATOM 3228 OD1 ASP D 3 -4.854 13.039 5.365 1.00 0.00 O ATOM 3229 OD2 ASP D 3 -4.924 12.261 3.311 1.00 0.00 O ATOM 0 HA ASP D 3 -3.560 9.398 6.289 1.00 0.00 H new ATOM 0 HB2 ASP D 3 -4.846 9.976 4.249 1.00 0.00 H new ATOM 0 HB3 ASP D 3 -5.682 10.489 5.702 1.00 0.00 H new ATOM 3234 N THR D 4 -1.477 9.524 5.000 1.00 0.00 N ATOM 3235 CA THR D 4 -0.278 9.515 4.187 1.00 0.00 C ATOM 3236 C THR D 4 -0.635 9.297 2.721 1.00 0.00 C ATOM 3237 O THR D 4 -1.562 8.551 2.410 1.00 0.00 O ATOM 3238 CB THR D 4 0.666 8.414 4.668 1.00 0.00 C ATOM 3239 OG1 THR D 4 1.928 8.520 4.037 1.00 0.00 O ATOM 3240 CG2 THR D 4 0.143 7.018 4.404 1.00 0.00 C ATOM 0 H THR D 4 -1.617 8.676 5.550 1.00 0.00 H new ATOM 0 HA THR D 4 0.221 10.479 4.283 1.00 0.00 H new ATOM 0 HB THR D 4 0.748 8.560 5.745 1.00 0.00 H new ATOM 0 HG1 THR D 4 2.617 8.698 4.711 1.00 0.00 H new ATOM 0 HG21 THR D 4 0.862 6.285 4.770 1.00 0.00 H new ATOM 0 HG22 THR D 4 -0.808 6.882 4.919 1.00 0.00 H new ATOM 0 HG23 THR D 4 -0.002 6.880 3.332 1.00 0.00 H new ATOM 3248 N GLY D 5 0.098 9.943 1.828 1.00 0.00 N ATOM 3249 CA GLY D 5 -0.167 9.793 0.410 1.00 0.00 C ATOM 3250 C GLY D 5 1.100 9.830 -0.412 1.00 0.00 C ATOM 3251 O GLY D 5 1.921 10.734 -0.255 1.00 0.00 O ATOM 0 H GLY D 5 0.871 10.568 2.057 1.00 0.00 H new ATOM 0 HA2 GLY D 5 -0.684 8.849 0.236 1.00 0.00 H new ATOM 0 HA3 GLY D 5 -0.836 10.588 0.081 1.00 0.00 H new ATOM 3255 N ILE D 6 1.268 8.843 -1.287 1.00 0.00 N ATOM 3256 CA ILE D 6 2.458 8.776 -2.124 1.00 0.00 C ATOM 3257 C ILE D 6 2.257 7.884 -3.342 1.00 0.00 C ATOM 3258 O ILE D 6 1.588 6.853 -3.276 1.00 0.00 O ATOM 3259 CB ILE D 6 3.679 8.271 -1.328 1.00 0.00 C ATOM 3260 CG1 ILE D 6 3.314 7.055 -0.472 1.00 0.00 C ATOM 3261 CG2 ILE D 6 4.256 9.380 -0.460 1.00 0.00 C ATOM 3262 CD1 ILE D 6 3.052 5.800 -1.274 1.00 0.00 C ATOM 0 H ILE D 6 0.601 8.085 -1.433 1.00 0.00 H new ATOM 0 HA ILE D 6 2.643 9.794 -2.466 1.00 0.00 H new ATOM 0 HB ILE D 6 4.440 7.965 -2.045 1.00 0.00 H new ATOM 0 HG12 ILE D 6 4.123 6.862 0.232 1.00 0.00 H new ATOM 0 HG13 ILE D 6 2.428 7.290 0.117 1.00 0.00 H new ATOM 0 HG21 ILE D 6 5.116 9.000 0.092 1.00 0.00 H new ATOM 0 HG22 ILE D 6 4.569 10.211 -1.092 1.00 0.00 H new ATOM 0 HG23 ILE D 6 3.497 9.724 0.243 1.00 0.00 H new ATOM 0 HD11 ILE D 6 2.800 4.983 -0.599 1.00 0.00 H new ATOM 0 HD12 ILE D 6 2.223 5.973 -1.960 1.00 0.00 H new ATOM 0 HD13 ILE D 6 3.944 5.539 -1.843 1.00 0.00 H new ATOM 3274 N GLN D 7 2.853 8.296 -4.458 1.00 0.00 N ATOM 3275 CA GLN D 7 2.761 7.545 -5.702 1.00 0.00 C ATOM 3276 C GLN D 7 4.150 7.181 -6.208 1.00 0.00 C ATOM 3277 O GLN D 7 4.949 8.057 -6.542 1.00 0.00 O ATOM 3278 CB GLN D 7 2.016 8.360 -6.761 1.00 0.00 C ATOM 3279 CG GLN D 7 1.894 7.650 -8.100 1.00 0.00 C ATOM 3280 CD GLN D 7 1.185 8.491 -9.143 1.00 0.00 C ATOM 3281 OE1 GLN D 7 0.070 7.984 -9.653 1.00 0.00 O flip ATOM 3282 NE2 GLN D 7 1.635 9.585 -9.486 1.00 0.00 N flip ATOM 0 H GLN D 7 3.407 9.150 -4.524 1.00 0.00 H new ATOM 0 HA GLN D 7 2.207 6.627 -5.509 1.00 0.00 H new ATOM 0 HB2 GLN D 7 1.018 8.595 -6.391 1.00 0.00 H new ATOM 0 HB3 GLN D 7 2.533 9.308 -6.908 1.00 0.00 H new ATOM 0 HG2 GLN D 7 2.889 7.392 -8.462 1.00 0.00 H new ATOM 0 HG3 GLN D 7 1.352 6.714 -7.963 1.00 0.00 H new ATOM 0 HE21 GLN D 7 2.496 9.936 -9.067 1.00 0.00 H new ATOM 0 HE22 GLN D 7 1.146 10.140 -10.189 1.00 0.00 H new ATOM 3291 N VAL D 8 4.434 5.886 -6.266 1.00 0.00 N ATOM 3292 CA VAL D 8 5.727 5.407 -6.735 1.00 0.00 C ATOM 3293 C VAL D 8 5.624 4.860 -8.153 1.00 0.00 C ATOM 3294 O VAL D 8 4.621 4.250 -8.523 1.00 0.00 O ATOM 3295 CB VAL D 8 6.297 4.316 -5.806 1.00 0.00 C ATOM 3296 CG1 VAL D 8 7.671 3.865 -6.284 1.00 0.00 C ATOM 3297 CG2 VAL D 8 6.362 4.818 -4.372 1.00 0.00 C ATOM 0 H VAL D 8 3.785 5.148 -5.994 1.00 0.00 H new ATOM 0 HA VAL D 8 6.405 6.261 -6.728 1.00 0.00 H new ATOM 0 HB VAL D 8 5.629 3.455 -5.837 1.00 0.00 H new ATOM 0 HG11 VAL D 8 8.055 3.095 -5.614 1.00 0.00 H new ATOM 0 HG12 VAL D 8 7.591 3.461 -7.293 1.00 0.00 H new ATOM 0 HG13 VAL D 8 8.352 4.716 -6.287 1.00 0.00 H new ATOM 0 HG21 VAL D 8 6.767 4.035 -3.730 1.00 0.00 H new ATOM 0 HG22 VAL D 8 7.006 5.696 -4.323 1.00 0.00 H new ATOM 0 HG23 VAL D 8 5.360 5.083 -4.033 1.00 0.00 H new ATOM 3307 N ASP D 9 6.668 5.082 -8.943 1.00 0.00 N ATOM 3308 CA ASP D 9 6.699 4.612 -10.323 1.00 0.00 C ATOM 3309 C ASP D 9 8.068 4.860 -10.944 1.00 0.00 C ATOM 3310 O ASP D 9 8.392 5.984 -11.327 1.00 0.00 O ATOM 3311 CB ASP D 9 5.614 5.309 -11.146 1.00 0.00 C ATOM 3312 CG ASP D 9 5.582 4.831 -12.585 1.00 0.00 C ATOM 3313 OD1 ASP D 9 6.607 4.983 -13.283 1.00 0.00 O ATOM 3314 OD2 ASP D 9 4.534 4.304 -13.013 1.00 0.00 O ATOM 0 H ASP D 9 7.506 5.585 -8.651 1.00 0.00 H new ATOM 0 HA ASP D 9 6.507 3.539 -10.324 1.00 0.00 H new ATOM 0 HB2 ASP D 9 4.642 5.131 -10.685 1.00 0.00 H new ATOM 0 HB3 ASP D 9 5.783 6.386 -11.127 1.00 0.00 H new