USER MOD reduce.3.24.130724 H: found=0, std=0, add=1438, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1440 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 MET CE :methyl -171:sc= -0.91 (180deg=0) USER MOD Set 1.2: B 43 CYS SG : rot -98:sc= -2.51! USER MOD Set 2.1: A 19 ASN : amide:sc= 0.0926 K(o=-0.67,f=-7.3!) USER MOD Set 2.2: B 37 ASN : amide:sc= -0.76 K(o=-0.67,f=-1.3) USER MOD Set 3.1: A 28 CYS SG : rot 95:sc= -0.765 USER MOD Set 3.2: B 28 CYS SG : rot 93:sc= -0.621 USER MOD Set 4.1: A 37 ASN : amide:sc= -0.748 K(o=-1,f=-2.8) USER MOD Set 4.2: B 19 ASN : amide:sc= -0.272 K(o=-1,f=-9.6!) USER MOD Set 5.1: B 16 THR OG1 : rot -37:sc= 1.34 USER MOD Set 5.2: B 53 HIS : no HD1:sc= -2.05! C(o=-0.71!,f=-7.1!) USER MOD Set 6.1: A 24 MET CE :methyl -169:sc= -0.903 (180deg=0) USER MOD Set 6.2: A 43 CYS SG : rot -99:sc= -2.34! USER MOD Set 7.1: A 16 THR OG1 : rot -7:sc= 0.775 USER MOD Set 7.2: A 53 HIS : no HE2:sc= -1.07! C(o=-0.3!,f=-7.9!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 10 ASN : amide:sc= -0.308 K(o=-0.31,f=-2.7!) USER MOD Single : A 20 HIS : no HD1:sc= -3.08! K(o=-3.1!,f=-0.97) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.39 X(o=-0.39,f=0.05) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 49 SER OG : rot 71:sc= 0.299 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc=-0.00184 USER MOD Single : A 59 ASN : amide:sc= 0.551 K(o=0.55,f=-5.2!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc=-0.00559 X(o=-0.0056,f=-0.16) USER MOD Single : A 67 MET CE :methyl -136:sc= 0 (180deg=-1.2) USER MOD Single : A 69 SER OG : rot 72:sc= 1.05 USER MOD Single : A 70 GLN : amide:sc= -3.12! K(o=-3.1!,f=-0.89) USER MOD Single : A 73 LYS NZ :NH3+ -168:sc= 1.21 (180deg=1) USER MOD Single : A 79 LYS NZ :NH3+ -172:sc= -0.0117 (180deg=-0.0946) USER MOD Single : A 81 GLN : amide:sc= -0.625 K(o=-0.63,f=0) USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 84 GLN : amide:sc= 0.0807 K(o=0.081,f=-2.7!) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0762 USER MOD Single : A 88 THR OG1 : rot -76:sc= 0.726 USER MOD Single : A 89 MET CE :methyl -169:sc= -0.499 (180deg=-0.61) USER MOD Single : A 91 ASN : amide:sc= -1.2 K(o=-1.2,f=-3.3!) USER MOD Single : A 92 LYS NZ :NH3+ 174:sc=-0.00549 (180deg=-0.0637) USER MOD Single : B 10 ASN : amide:sc= -0.325 K(o=-0.32,f=-2.8!) USER MOD Single : B 20 HIS : no HD1:sc= -3.21! K(o=-3.2!,f=-1.1) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 26 HIS : no HD1:sc= -0.56 K(o=-0.56,f=0.062) USER MOD Single : B 47 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : B 49 SER OG : rot 70:sc= 0.364 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 SER OG : rot -141:sc=0.000345 USER MOD Single : B 59 ASN : amide:sc= 0.529 K(o=0.53,f=-5!) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 66 GLN : amide:sc=-0.00512 X(o=-0.0051,f=-0.14) USER MOD Single : B 67 MET CE :methyl -136:sc=-0.000203 (180deg=-1.45) USER MOD Single : B 69 SER OG : rot 74:sc= 1.01 USER MOD Single : B 70 GLN : amide:sc= -3.17! K(o=-3.2!,f=-0.89) USER MOD Single : B 73 LYS NZ :NH3+ -172:sc= 1.34 (180deg=1.06) USER MOD Single : B 79 LYS NZ :NH3+ -170:sc=-0.00246 (180deg=-0.13) USER MOD Single : B 81 GLN : amide:sc= -0.68 K(o=-0.68,f=0) USER MOD Single : B 83 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : B 84 GLN : amide:sc= 0.164 K(o=0.16,f=-3.1!) USER MOD Single : B 85 SER OG : rot 180:sc= 0.0537 USER MOD Single : B 88 THR OG1 : rot -78:sc= 0.817 USER MOD Single : B 89 MET CE :methyl -172:sc= -0.526 (180deg=-0.687) USER MOD Single : B 91 ASN : amide:sc= -0.987 K(o=-0.99,f=-2.9!) USER MOD Single : B 92 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0614) USER MOD ----------------------------------------------------------------- ATOM 97 N HIS A 8 15.945 -2.094 -13.024 1.00 33.33 N ATOM 98 CA HIS A 8 16.244 -0.679 -12.662 1.00 4.43 C ATOM 99 C HIS A 8 15.252 0.289 -13.331 1.00 32.45 C ATOM 100 O HIS A 8 15.362 1.500 -13.155 1.00 44.12 O ATOM 101 CB HIS A 8 17.713 -0.319 -13.027 1.00 72.32 C ATOM 102 CG HIS A 8 18.736 -1.209 -12.365 1.00 4.11 C ATOM 103 ND1 HIS A 8 19.116 -2.433 -12.882 1.00 13.11 N ATOM 104 CD2 HIS A 8 19.426 -1.072 -11.205 1.00 62.23 C ATOM 105 CE1 HIS A 8 19.982 -3.005 -12.074 1.00 32.12 C ATOM 106 NE2 HIS A 8 20.191 -2.203 -11.055 1.00 14.22 N ATOM 0 HA HIS A 8 16.127 -0.574 -11.583 1.00 4.43 H new ATOM 0 HB2 HIS A 8 17.835 -0.381 -14.108 1.00 72.32 H new ATOM 0 HB3 HIS A 8 17.906 0.716 -12.743 1.00 72.32 H new ATOM 0 HD2 HIS A 8 19.382 -0.232 -10.527 1.00 62.23 H new ATOM 0 HE1 HIS A 8 20.443 -3.970 -12.223 1.00 32.12 H new ATOM 0 HE2 HIS A 8 20.822 -2.390 -10.276 1.00 14.22 H new ATOM 115 N ASP A 9 14.286 -0.257 -14.099 1.00 44.45 N ATOM 116 CA ASP A 9 13.154 0.528 -14.658 1.00 74.43 C ATOM 117 C ASP A 9 12.210 0.915 -13.524 1.00 3.14 C ATOM 118 O ASP A 9 11.727 2.051 -13.444 1.00 22.40 O ATOM 119 CB ASP A 9 12.361 -0.289 -15.725 1.00 21.42 C ATOM 120 CG ASP A 9 13.129 -0.608 -17.014 1.00 71.15 C ATOM 121 OD1 ASP A 9 14.345 -0.330 -17.108 1.00 33.42 O ATOM 122 OD2 ASP A 9 12.507 -1.169 -17.948 1.00 3.42 O ATOM 0 H ASP A 9 14.264 -1.245 -14.350 1.00 44.45 H new ATOM 0 HA ASP A 9 13.561 1.416 -15.143 1.00 74.43 H new ATOM 0 HB2 ASP A 9 12.038 -1.227 -15.273 1.00 21.42 H new ATOM 0 HB3 ASP A 9 11.460 0.266 -15.987 1.00 21.42 H new ATOM 127 N ASN A 10 11.970 -0.069 -12.647 1.00 41.42 N ATOM 128 CA ASN A 10 11.177 0.104 -11.435 1.00 44.03 C ATOM 129 C ASN A 10 12.040 0.808 -10.381 1.00 30.03 C ATOM 130 O ASN A 10 13.245 0.526 -10.249 1.00 55.22 O ATOM 131 CB ASN A 10 10.657 -1.270 -10.912 1.00 13.01 C ATOM 132 CG ASN A 10 11.774 -2.221 -10.441 1.00 40.13 C ATOM 133 OD1 ASN A 10 12.323 -2.989 -11.228 1.00 33.41 O ATOM 134 ND2 ASN A 10 12.108 -2.180 -9.153 1.00 21.24 N ATOM 0 H ASN A 10 12.328 -1.017 -12.766 1.00 41.42 H new ATOM 0 HA ASN A 10 10.302 0.716 -11.652 1.00 44.03 H new ATOM 0 HB2 ASN A 10 9.968 -1.096 -10.085 1.00 13.01 H new ATOM 0 HB3 ASN A 10 10.088 -1.757 -11.704 1.00 13.01 H new ATOM 0 HD21 ASN A 10 12.837 -2.797 -8.795 1.00 21.24 H new ATOM 0 HD22 ASN A 10 11.634 -1.532 -8.524 1.00 21.24 H new ATOM 141 N VAL A 11 11.428 1.740 -9.650 1.00 10.12 N ATOM 142 CA VAL A 11 12.110 2.509 -8.612 1.00 12.20 C ATOM 143 C VAL A 11 11.627 2.037 -7.261 1.00 62.20 C ATOM 144 O VAL A 11 10.458 1.656 -7.095 1.00 64.33 O ATOM 145 CB VAL A 11 11.939 4.084 -8.748 1.00 63.05 C ATOM 146 CG1 VAL A 11 12.113 4.512 -10.209 1.00 75.51 C ATOM 147 CG2 VAL A 11 10.614 4.640 -8.145 1.00 53.53 C ATOM 0 H VAL A 11 10.444 1.982 -9.762 1.00 10.12 H new ATOM 0 HA VAL A 11 13.178 2.328 -8.730 1.00 12.20 H new ATOM 0 HB VAL A 11 12.729 4.529 -8.144 1.00 63.05 H new ATOM 0 HG11 VAL A 11 11.993 5.593 -10.288 1.00 75.51 H new ATOM 0 HG12 VAL A 11 13.108 4.231 -10.555 1.00 75.51 H new ATOM 0 HG13 VAL A 11 11.362 4.018 -10.825 1.00 75.51 H new ATOM 0 HG21 VAL A 11 10.578 5.721 -8.280 1.00 53.53 H new ATOM 0 HG22 VAL A 11 9.764 4.183 -8.651 1.00 53.53 H new ATOM 0 HG23 VAL A 11 10.572 4.406 -7.081 1.00 53.53 H new ATOM 157 N ILE A 12 12.565 2.011 -6.337 1.00 2.30 N ATOM 158 CA ILE A 12 12.324 1.811 -4.931 1.00 75.22 C ATOM 159 C ILE A 12 12.074 3.203 -4.325 1.00 3.22 C ATOM 160 O ILE A 12 13.004 3.888 -3.872 1.00 23.21 O ATOM 161 CB ILE A 12 13.572 1.110 -4.277 1.00 3.53 C ATOM 162 CG1 ILE A 12 14.013 -0.166 -5.087 1.00 52.34 C ATOM 163 CG2 ILE A 12 13.311 0.773 -2.808 1.00 42.01 C ATOM 164 CD1 ILE A 12 12.965 -1.262 -5.233 1.00 70.55 C ATOM 0 H ILE A 12 13.553 2.134 -6.558 1.00 2.30 H new ATOM 0 HA ILE A 12 11.464 1.166 -4.751 1.00 75.22 H new ATOM 0 HB ILE A 12 14.399 1.819 -4.314 1.00 3.53 H new ATOM 0 HG12 ILE A 12 14.321 0.150 -6.084 1.00 52.34 H new ATOM 0 HG13 ILE A 12 14.891 -0.593 -4.603 1.00 52.34 H new ATOM 0 HG21 ILE A 12 14.191 0.290 -2.384 1.00 42.01 H new ATOM 0 HG22 ILE A 12 13.099 1.689 -2.257 1.00 42.01 H new ATOM 0 HG23 ILE A 12 12.457 0.100 -2.735 1.00 42.01 H new ATOM 0 HD11 ILE A 12 13.381 -2.089 -5.808 1.00 70.55 H new ATOM 0 HD12 ILE A 12 12.671 -1.618 -4.246 1.00 70.55 H new ATOM 0 HD13 ILE A 12 12.092 -0.864 -5.750 1.00 70.55 H new ATOM 176 N LEU A 13 10.812 3.641 -4.400 1.00 34.44 N ATOM 177 CA LEU A 13 10.383 4.935 -3.865 1.00 72.45 C ATOM 178 C LEU A 13 9.954 4.689 -2.425 1.00 0.31 C ATOM 179 O LEU A 13 8.798 4.391 -2.149 1.00 32.13 O ATOM 180 CB LEU A 13 9.242 5.534 -4.749 1.00 24.03 C ATOM 181 CG LEU A 13 9.015 7.090 -4.683 1.00 4.54 C ATOM 182 CD1 LEU A 13 8.096 7.550 -5.835 1.00 31.22 C ATOM 183 CD2 LEU A 13 8.462 7.567 -3.314 1.00 2.02 C ATOM 0 H LEU A 13 10.060 3.106 -4.834 1.00 34.44 H new ATOM 0 HA LEU A 13 11.185 5.673 -3.881 1.00 72.45 H new ATOM 0 HB2 LEU A 13 9.444 5.267 -5.786 1.00 24.03 H new ATOM 0 HB3 LEU A 13 8.308 5.045 -4.470 1.00 24.03 H new ATOM 0 HG LEU A 13 9.994 7.555 -4.797 1.00 4.54 H new ATOM 0 HD11 LEU A 13 7.949 8.628 -5.775 1.00 31.22 H new ATOM 0 HD12 LEU A 13 8.557 7.299 -6.790 1.00 31.22 H new ATOM 0 HD13 LEU A 13 7.132 7.048 -5.754 1.00 31.22 H new ATOM 0 HD21 LEU A 13 8.327 8.648 -3.333 1.00 2.02 H new ATOM 0 HD22 LEU A 13 7.503 7.085 -3.121 1.00 2.02 H new ATOM 0 HD23 LEU A 13 9.166 7.303 -2.525 1.00 2.02 H new ATOM 195 N GLU A 14 10.914 4.771 -1.516 1.00 41.24 N ATOM 196 CA GLU A 14 10.718 4.403 -0.124 1.00 61.34 C ATOM 197 C GLU A 14 10.679 5.654 0.770 1.00 61.53 C ATOM 198 O GLU A 14 11.652 6.406 0.874 1.00 12.30 O ATOM 199 CB GLU A 14 11.804 3.388 0.299 1.00 5.14 C ATOM 200 CG GLU A 14 13.267 3.823 0.077 1.00 20.05 C ATOM 201 CD GLU A 14 14.265 2.881 0.764 1.00 21.55 C ATOM 202 OE1 GLU A 14 14.432 2.997 2.003 1.00 4.32 O ATOM 203 OE2 GLU A 14 14.858 2.013 0.091 1.00 52.43 O ATOM 0 H GLU A 14 11.857 5.097 -1.726 1.00 41.24 H new ATOM 0 HA GLU A 14 9.751 3.915 -0.001 1.00 61.34 H new ATOM 0 HB2 GLU A 14 11.670 3.164 1.357 1.00 5.14 H new ATOM 0 HB3 GLU A 14 11.636 2.460 -0.247 1.00 5.14 H new ATOM 0 HG2 GLU A 14 13.476 3.853 -0.992 1.00 20.05 H new ATOM 0 HG3 GLU A 14 13.405 4.835 0.458 1.00 20.05 H new ATOM 210 N LEU A 15 9.522 5.879 1.398 1.00 54.34 N ATOM 211 CA LEU A 15 9.286 7.038 2.269 1.00 73.53 C ATOM 212 C LEU A 15 8.945 6.581 3.698 1.00 0.23 C ATOM 213 O LEU A 15 8.327 5.533 3.888 1.00 65.32 O ATOM 214 CB LEU A 15 8.184 7.974 1.646 1.00 11.23 C ATOM 215 CG LEU A 15 6.984 7.298 0.875 1.00 50.45 C ATOM 216 CD1 LEU A 15 6.037 6.509 1.803 1.00 21.11 C ATOM 217 CD2 LEU A 15 6.194 8.337 0.038 1.00 25.11 C ATOM 0 H LEU A 15 8.716 5.259 1.317 1.00 54.34 H new ATOM 0 HA LEU A 15 10.200 7.628 2.341 1.00 73.53 H new ATOM 0 HB2 LEU A 15 7.765 8.578 2.451 1.00 11.23 H new ATOM 0 HB3 LEU A 15 8.679 8.659 0.958 1.00 11.23 H new ATOM 0 HG LEU A 15 7.432 6.573 0.196 1.00 50.45 H new ATOM 0 HD11 LEU A 15 5.233 6.068 1.213 1.00 21.11 H new ATOM 0 HD12 LEU A 15 6.595 5.718 2.304 1.00 21.11 H new ATOM 0 HD13 LEU A 15 5.613 7.182 2.548 1.00 21.11 H new ATOM 0 HD21 LEU A 15 5.375 7.839 -0.480 1.00 25.11 H new ATOM 0 HD22 LEU A 15 5.792 9.106 0.698 1.00 25.11 H new ATOM 0 HD23 LEU A 15 6.859 8.797 -0.693 1.00 25.11 H new ATOM 229 N THR A 16 9.404 7.351 4.690 1.00 3.33 N ATOM 230 CA THR A 16 9.054 7.152 6.097 1.00 25.13 C ATOM 231 C THR A 16 7.893 8.083 6.438 1.00 22.31 C ATOM 232 O THR A 16 8.038 9.306 6.368 1.00 22.51 O ATOM 233 CB THR A 16 10.254 7.466 7.048 1.00 24.40 C ATOM 234 OG1 THR A 16 11.381 6.677 6.666 1.00 14.40 O ATOM 235 CG2 THR A 16 9.903 7.185 8.525 1.00 5.41 C ATOM 0 H THR A 16 10.035 8.137 4.535 1.00 3.33 H new ATOM 0 HA THR A 16 8.782 6.106 6.240 1.00 25.13 H new ATOM 0 HB THR A 16 10.487 8.527 6.957 1.00 24.40 H new ATOM 0 HG1 THR A 16 11.115 6.043 5.967 1.00 14.40 H new ATOM 0 HG21 THR A 16 10.763 7.416 9.154 1.00 5.41 H new ATOM 0 HG22 THR A 16 9.059 7.807 8.823 1.00 5.41 H new ATOM 0 HG23 THR A 16 9.639 6.134 8.643 1.00 5.41 H new ATOM 243 N VAL A 17 6.740 7.506 6.761 1.00 42.13 N ATOM 244 CA VAL A 17 5.584 8.260 7.260 1.00 72.14 C ATOM 245 C VAL A 17 5.310 7.814 8.697 1.00 54.52 C ATOM 246 O VAL A 17 5.662 6.696 9.074 1.00 15.11 O ATOM 247 CB VAL A 17 4.296 8.064 6.366 1.00 63.11 C ATOM 248 CG1 VAL A 17 4.624 8.260 4.866 1.00 13.42 C ATOM 249 CG2 VAL A 17 3.580 6.711 6.618 1.00 40.22 C ATOM 0 H VAL A 17 6.576 6.502 6.686 1.00 42.13 H new ATOM 0 HA VAL A 17 5.820 9.323 7.221 1.00 72.14 H new ATOM 0 HB VAL A 17 3.591 8.839 6.666 1.00 63.11 H new ATOM 0 HG11 VAL A 17 3.719 8.119 4.274 1.00 13.42 H new ATOM 0 HG12 VAL A 17 5.009 9.267 4.706 1.00 13.42 H new ATOM 0 HG13 VAL A 17 5.375 7.532 4.560 1.00 13.42 H new ATOM 0 HG21 VAL A 17 2.704 6.638 5.974 1.00 40.22 H new ATOM 0 HG22 VAL A 17 4.263 5.891 6.396 1.00 40.22 H new ATOM 0 HG23 VAL A 17 3.269 6.653 7.661 1.00 40.22 H new ATOM 259 N ARG A 18 4.738 8.692 9.511 1.00 65.42 N ATOM 260 CA ARG A 18 4.180 8.297 10.819 1.00 71.11 C ATOM 261 C ARG A 18 2.657 8.181 10.676 1.00 12.23 C ATOM 262 O ARG A 18 2.058 8.901 9.861 1.00 11.32 O ATOM 263 CB ARG A 18 4.611 9.277 11.934 1.00 65.41 C ATOM 264 CG ARG A 18 4.240 10.751 11.706 1.00 64.33 C ATOM 265 CD ARG A 18 4.809 11.671 12.799 1.00 44.02 C ATOM 266 NE ARG A 18 4.411 11.260 14.163 1.00 15.04 N ATOM 267 CZ ARG A 18 4.376 12.067 15.240 1.00 20.44 C ATOM 268 NH1 ARG A 18 4.713 13.352 15.152 1.00 22.43 N ATOM 269 NH2 ARG A 18 4.023 11.565 16.414 1.00 24.40 N ATOM 0 H ARG A 18 4.643 9.685 9.298 1.00 65.42 H new ATOM 0 HA ARG A 18 4.574 7.327 11.122 1.00 71.11 H new ATOM 0 HB2 ARG A 18 4.164 8.950 12.873 1.00 65.41 H new ATOM 0 HB3 ARG A 18 5.692 9.208 12.055 1.00 65.41 H new ATOM 0 HG2 ARG A 18 4.614 11.071 10.734 1.00 64.33 H new ATOM 0 HG3 ARG A 18 3.155 10.850 11.679 1.00 64.33 H new ATOM 0 HD2 ARG A 18 5.897 11.678 12.730 1.00 44.02 H new ATOM 0 HD3 ARG A 18 4.471 12.692 12.620 1.00 44.02 H new ATOM 0 HE ARG A 18 4.141 10.286 14.299 1.00 15.04 H new ATOM 0 HH11 ARG A 18 5.005 13.743 14.256 1.00 22.43 H new ATOM 0 HH12 ARG A 18 4.679 13.946 15.981 1.00 22.43 H new ATOM 0 HH21 ARG A 18 3.782 10.577 16.495 1.00 24.40 H new ATOM 0 HH22 ARG A 18 3.993 12.166 17.237 1.00 24.40 H new ATOM 283 N ASN A 19 2.048 7.260 11.455 1.00 44.12 N ATOM 284 CA ASN A 19 0.664 6.798 11.239 1.00 51.11 C ATOM 285 C ASN A 19 -0.351 7.910 11.597 1.00 72.33 C ATOM 286 O ASN A 19 -0.795 8.049 12.742 1.00 23.41 O ATOM 287 CB ASN A 19 0.399 5.467 12.017 1.00 24.25 C ATOM 288 CG ASN A 19 -0.890 4.723 11.575 1.00 43.12 C ATOM 289 OD1 ASN A 19 -1.905 5.334 11.245 1.00 13.53 O ATOM 290 ND2 ASN A 19 -0.849 3.393 11.529 1.00 52.23 N ATOM 0 H ASN A 19 2.505 6.817 12.252 1.00 44.12 H new ATOM 0 HA ASN A 19 0.527 6.579 10.180 1.00 51.11 H new ATOM 0 HB2 ASN A 19 1.253 4.803 11.883 1.00 24.25 H new ATOM 0 HB3 ASN A 19 0.331 5.688 13.082 1.00 24.25 H new ATOM 0 HD21 ASN A 19 -1.666 2.868 11.217 1.00 52.23 H new ATOM 0 HD22 ASN A 19 -0.001 2.899 11.806 1.00 52.23 H new ATOM 297 N HIS A 20 -0.602 8.748 10.583 1.00 11.32 N ATOM 298 CA HIS A 20 -1.639 9.800 10.566 1.00 52.20 C ATOM 299 C HIS A 20 -2.913 9.266 9.854 1.00 13.41 C ATOM 300 O HIS A 20 -2.835 8.232 9.175 1.00 61.55 O ATOM 301 CB HIS A 20 -1.072 11.062 9.844 1.00 5.03 C ATOM 302 CG HIS A 20 -0.097 11.863 10.662 1.00 71.20 C ATOM 303 ND1 HIS A 20 -0.420 12.434 11.873 1.00 44.14 N ATOM 304 CD2 HIS A 20 1.191 12.201 10.434 1.00 75.33 C ATOM 305 CE1 HIS A 20 0.623 13.086 12.346 1.00 13.23 C ATOM 306 NE2 HIS A 20 1.614 12.961 11.491 1.00 41.33 N ATOM 0 H HIS A 20 -0.069 8.714 9.714 1.00 11.32 H new ATOM 0 HA HIS A 20 -1.914 10.077 11.584 1.00 52.20 H new ATOM 0 HB2 HIS A 20 -0.582 10.748 8.922 1.00 5.03 H new ATOM 0 HB3 HIS A 20 -1.904 11.707 9.559 1.00 5.03 H new ATOM 0 HD2 HIS A 20 1.780 11.922 9.573 1.00 75.33 H new ATOM 0 HE1 HIS A 20 0.658 13.631 13.278 1.00 13.23 H new ATOM 0 HE2 HIS A 20 2.545 13.364 11.598 1.00 41.33 H new ATOM 315 N PRO A 21 -4.115 9.926 10.036 1.00 5.51 N ATOM 316 CA PRO A 21 -5.383 9.520 9.364 1.00 32.24 C ATOM 317 C PRO A 21 -5.257 9.292 7.834 1.00 41.52 C ATOM 318 O PRO A 21 -5.196 10.251 7.054 1.00 63.11 O ATOM 319 CB PRO A 21 -6.344 10.693 9.690 1.00 44.54 C ATOM 320 CG PRO A 21 -5.857 11.212 11.012 1.00 63.12 C ATOM 321 CD PRO A 21 -4.348 11.079 10.960 1.00 21.02 C ATOM 0 HA PRO A 21 -5.726 8.549 9.722 1.00 32.24 H new ATOM 0 HB2 PRO A 21 -6.306 11.464 8.921 1.00 44.54 H new ATOM 0 HB3 PRO A 21 -7.378 10.355 9.752 1.00 44.54 H new ATOM 0 HG2 PRO A 21 -6.156 12.249 11.162 1.00 63.12 H new ATOM 0 HG3 PRO A 21 -6.275 10.637 11.839 1.00 63.12 H new ATOM 0 HD2 PRO A 21 -3.880 11.990 10.587 1.00 21.02 H new ATOM 0 HD3 PRO A 21 -3.930 10.888 11.949 1.00 21.02 H new ATOM 329 N GLY A 22 -5.171 8.003 7.448 1.00 3.32 N ATOM 330 CA GLY A 22 -5.203 7.573 6.045 1.00 70.22 C ATOM 331 C GLY A 22 -4.086 8.145 5.173 1.00 23.23 C ATOM 332 O GLY A 22 -4.357 8.627 4.067 1.00 52.35 O ATOM 0 H GLY A 22 -5.077 7.231 8.108 1.00 3.32 H new ATOM 0 HA2 GLY A 22 -5.149 6.485 6.012 1.00 70.22 H new ATOM 0 HA3 GLY A 22 -6.163 7.858 5.614 1.00 70.22 H new ATOM 336 N VAL A 23 -2.827 8.077 5.669 1.00 43.31 N ATOM 337 CA VAL A 23 -1.626 8.513 4.904 1.00 11.21 C ATOM 338 C VAL A 23 -1.531 7.764 3.560 1.00 14.41 C ATOM 339 O VAL A 23 -1.095 8.315 2.548 1.00 44.42 O ATOM 340 CB VAL A 23 -0.284 8.255 5.686 1.00 31.14 C ATOM 341 CG1 VAL A 23 0.922 8.851 4.929 1.00 72.52 C ATOM 342 CG2 VAL A 23 -0.341 8.801 7.119 1.00 24.02 C ATOM 0 H VAL A 23 -2.613 7.723 6.601 1.00 43.31 H new ATOM 0 HA VAL A 23 -1.748 9.585 4.747 1.00 11.21 H new ATOM 0 HB VAL A 23 -0.155 7.175 5.750 1.00 31.14 H new ATOM 0 HG11 VAL A 23 1.836 8.658 5.491 1.00 72.52 H new ATOM 0 HG12 VAL A 23 0.998 8.390 3.944 1.00 72.52 H new ATOM 0 HG13 VAL A 23 0.785 9.926 4.816 1.00 72.52 H new ATOM 0 HG21 VAL A 23 0.605 8.602 7.622 1.00 24.02 H new ATOM 0 HG22 VAL A 23 -0.518 9.876 7.092 1.00 24.02 H new ATOM 0 HG23 VAL A 23 -1.151 8.314 7.662 1.00 24.02 H new ATOM 352 N MET A 24 -1.969 6.498 3.590 1.00 12.11 N ATOM 353 CA MET A 24 -1.913 5.577 2.444 1.00 35.41 C ATOM 354 C MET A 24 -2.743 6.106 1.261 1.00 52.51 C ATOM 355 O MET A 24 -2.360 5.934 0.107 1.00 33.04 O ATOM 356 CB MET A 24 -2.401 4.177 2.881 1.00 53.12 C ATOM 357 CG MET A 24 -1.654 3.623 4.100 1.00 32.15 C ATOM 358 SD MET A 24 0.139 3.588 3.859 1.00 13.43 S ATOM 359 CE MET A 24 0.713 3.051 5.473 1.00 20.13 C ATOM 0 H MET A 24 -2.379 6.077 4.424 1.00 12.11 H new ATOM 0 HA MET A 24 -0.880 5.503 2.105 1.00 35.41 H new ATOM 0 HB2 MET A 24 -3.466 4.227 3.109 1.00 53.12 H new ATOM 0 HB3 MET A 24 -2.285 3.484 2.048 1.00 53.12 H new ATOM 0 HG2 MET A 24 -1.888 4.232 4.973 1.00 32.15 H new ATOM 0 HG3 MET A 24 -2.008 2.614 4.311 1.00 32.15 H new ATOM 0 HE1 MET A 24 1.795 3.172 5.533 1.00 20.13 H new ATOM 0 HE2 MET A 24 0.237 3.653 6.247 1.00 20.13 H new ATOM 0 HE3 MET A 24 0.456 2.002 5.620 1.00 20.13 H new ATOM 369 N THR A 25 -3.865 6.770 1.574 1.00 75.21 N ATOM 370 CA THR A 25 -4.737 7.392 0.563 1.00 23.31 C ATOM 371 C THR A 25 -4.028 8.611 -0.087 1.00 15.54 C ATOM 372 O THR A 25 -4.167 8.858 -1.295 1.00 64.23 O ATOM 373 CB THR A 25 -6.102 7.822 1.208 1.00 65.12 C ATOM 374 OG1 THR A 25 -6.588 6.761 2.048 1.00 34.42 O ATOM 375 CG2 THR A 25 -7.174 8.144 0.149 1.00 54.32 C ATOM 0 H THR A 25 -4.194 6.892 2.532 1.00 75.21 H new ATOM 0 HA THR A 25 -4.943 6.660 -0.218 1.00 23.31 H new ATOM 0 HB THR A 25 -5.917 8.727 1.787 1.00 65.12 H new ATOM 0 HG1 THR A 25 -7.440 7.028 2.453 1.00 34.42 H new ATOM 0 HG21 THR A 25 -8.099 8.436 0.645 1.00 54.32 H new ATOM 0 HG22 THR A 25 -6.827 8.962 -0.483 1.00 54.32 H new ATOM 0 HG23 THR A 25 -7.355 7.262 -0.466 1.00 54.32 H new ATOM 383 N HIS A 26 -3.242 9.341 0.735 1.00 23.34 N ATOM 384 CA HIS A 26 -2.494 10.541 0.298 1.00 2.24 C ATOM 385 C HIS A 26 -1.337 10.151 -0.650 1.00 64.42 C ATOM 386 O HIS A 26 -1.239 10.693 -1.760 1.00 32.03 O ATOM 387 CB HIS A 26 -1.947 11.332 1.527 1.00 25.21 C ATOM 388 CG HIS A 26 -3.007 12.038 2.342 1.00 3.24 C ATOM 389 ND1 HIS A 26 -2.995 13.399 2.581 1.00 3.02 N ATOM 390 CD2 HIS A 26 -4.106 11.567 2.983 1.00 44.24 C ATOM 391 CE1 HIS A 26 -4.033 13.725 3.323 1.00 64.31 C ATOM 392 NE2 HIS A 26 -4.718 12.635 3.579 1.00 0.03 N ATOM 0 H HIS A 26 -3.108 9.115 1.721 1.00 23.34 H new ATOM 0 HA HIS A 26 -3.183 11.186 -0.247 1.00 2.24 H new ATOM 0 HB2 HIS A 26 -1.408 10.642 2.176 1.00 25.21 H new ATOM 0 HB3 HIS A 26 -1.225 12.070 1.176 1.00 25.21 H new ATOM 0 HD2 HIS A 26 -4.436 10.539 3.016 1.00 44.24 H new ATOM 0 HE1 HIS A 26 -4.279 14.720 3.663 1.00 64.31 H new ATOM 0 HE2 HIS A 26 -5.572 12.591 4.135 1.00 0.03 H new ATOM 401 N VAL A 27 -0.485 9.188 -0.216 1.00 11.11 N ATOM 402 CA VAL A 27 0.711 8.776 -0.979 1.00 23.43 C ATOM 403 C VAL A 27 0.297 8.175 -2.347 1.00 0.40 C ATOM 404 O VAL A 27 0.780 8.615 -3.408 1.00 44.44 O ATOM 405 CB VAL A 27 1.656 7.790 -0.153 1.00 22.30 C ATOM 406 CG1 VAL A 27 2.102 8.433 1.186 1.00 21.10 C ATOM 407 CG2 VAL A 27 1.019 6.404 0.102 1.00 14.41 C ATOM 0 H VAL A 27 -0.609 8.683 0.662 1.00 11.11 H new ATOM 0 HA VAL A 27 1.307 9.669 -1.166 1.00 23.43 H new ATOM 0 HB VAL A 27 2.533 7.623 -0.778 1.00 22.30 H new ATOM 0 HG11 VAL A 27 2.745 7.738 1.727 1.00 21.10 H new ATOM 0 HG12 VAL A 27 2.651 9.352 0.983 1.00 21.10 H new ATOM 0 HG13 VAL A 27 1.224 8.661 1.790 1.00 21.10 H new ATOM 0 HG21 VAL A 27 1.713 5.783 0.668 1.00 14.41 H new ATOM 0 HG22 VAL A 27 0.096 6.526 0.669 1.00 14.41 H new ATOM 0 HG23 VAL A 27 0.798 5.924 -0.851 1.00 14.41 H new ATOM 417 N CYS A 28 -0.681 7.247 -2.304 1.00 30.41 N ATOM 418 CA CYS A 28 -1.228 6.582 -3.495 1.00 60.42 C ATOM 419 C CYS A 28 -1.909 7.595 -4.433 1.00 42.55 C ATOM 420 O CYS A 28 -1.924 7.401 -5.650 1.00 53.22 O ATOM 421 CB CYS A 28 -2.214 5.479 -3.060 1.00 4.02 C ATOM 422 SG CYS A 28 -1.446 4.147 -2.107 1.00 52.33 S ATOM 0 H CYS A 28 -1.114 6.939 -1.433 1.00 30.41 H new ATOM 0 HA CYS A 28 -0.410 6.126 -4.052 1.00 60.42 H new ATOM 0 HB2 CYS A 28 -3.008 5.929 -2.463 1.00 4.02 H new ATOM 0 HB3 CYS A 28 -2.684 5.054 -3.947 1.00 4.02 H new ATOM 0 HG CYS A 28 -1.583 4.388 -0.837 1.00 52.33 H new ATOM 428 N GLY A 29 -2.451 8.678 -3.837 1.00 42.54 N ATOM 429 CA GLY A 29 -3.019 9.797 -4.586 1.00 71.11 C ATOM 430 C GLY A 29 -1.994 10.474 -5.496 1.00 43.22 C ATOM 431 O GLY A 29 -2.275 10.711 -6.674 1.00 62.15 O ATOM 0 H GLY A 29 -2.503 8.792 -2.825 1.00 42.54 H new ATOM 0 HA2 GLY A 29 -3.855 9.440 -5.188 1.00 71.11 H new ATOM 0 HA3 GLY A 29 -3.420 10.531 -3.887 1.00 71.11 H new ATOM 435 N LEU A 30 -0.785 10.744 -4.948 1.00 2.45 N ATOM 436 CA LEU A 30 0.313 11.412 -5.697 1.00 71.13 C ATOM 437 C LEU A 30 0.839 10.547 -6.867 1.00 35.01 C ATOM 438 O LEU A 30 1.151 11.076 -7.943 1.00 5.53 O ATOM 439 CB LEU A 30 1.486 11.840 -4.752 1.00 51.32 C ATOM 440 CG LEU A 30 1.334 13.230 -4.035 1.00 44.43 C ATOM 441 CD1 LEU A 30 1.165 14.383 -5.052 1.00 64.50 C ATOM 442 CD2 LEU A 30 0.197 13.238 -2.989 1.00 44.15 C ATOM 0 H LEU A 30 -0.542 10.509 -3.986 1.00 2.45 H new ATOM 0 HA LEU A 30 -0.118 12.315 -6.128 1.00 71.13 H new ATOM 0 HB2 LEU A 30 1.606 11.073 -3.987 1.00 51.32 H new ATOM 0 HB3 LEU A 30 2.407 11.855 -5.335 1.00 51.32 H new ATOM 0 HG LEU A 30 2.264 13.396 -3.492 1.00 44.43 H new ATOM 0 HD11 LEU A 30 1.063 15.328 -4.518 1.00 64.50 H new ATOM 0 HD12 LEU A 30 2.039 14.426 -5.702 1.00 64.50 H new ATOM 0 HD13 LEU A 30 0.274 14.209 -5.655 1.00 64.50 H new ATOM 0 HD21 LEU A 30 0.137 14.222 -2.525 1.00 44.15 H new ATOM 0 HD22 LEU A 30 -0.750 13.009 -3.479 1.00 44.15 H new ATOM 0 HD23 LEU A 30 0.401 12.488 -2.225 1.00 44.15 H new ATOM 454 N PHE A 31 0.930 9.225 -6.656 1.00 5.22 N ATOM 455 CA PHE A 31 1.484 8.296 -7.679 1.00 61.13 C ATOM 456 C PHE A 31 0.454 7.997 -8.793 1.00 25.32 C ATOM 457 O PHE A 31 0.818 7.859 -9.970 1.00 12.21 O ATOM 458 CB PHE A 31 1.987 6.991 -7.001 1.00 52.01 C ATOM 459 CG PHE A 31 2.929 7.254 -5.814 1.00 52.04 C ATOM 460 CD1 PHE A 31 3.974 8.184 -5.915 1.00 65.41 C ATOM 461 CD2 PHE A 31 2.747 6.610 -4.591 1.00 5.12 C ATOM 462 CE1 PHE A 31 4.794 8.453 -4.832 1.00 32.35 C ATOM 463 CE2 PHE A 31 3.566 6.890 -3.509 1.00 12.10 C ATOM 464 CZ PHE A 31 4.590 7.806 -3.631 1.00 34.53 C ATOM 0 H PHE A 31 0.632 8.768 -5.794 1.00 5.22 H new ATOM 0 HA PHE A 31 2.334 8.782 -8.158 1.00 61.13 H new ATOM 0 HB2 PHE A 31 1.129 6.414 -6.656 1.00 52.01 H new ATOM 0 HB3 PHE A 31 2.505 6.381 -7.741 1.00 52.01 H new ATOM 0 HD1 PHE A 31 4.141 8.697 -6.850 1.00 65.41 H new ATOM 0 HD2 PHE A 31 1.956 5.882 -4.485 1.00 5.12 H new ATOM 0 HE1 PHE A 31 5.595 9.171 -4.928 1.00 32.35 H new ATOM 0 HE2 PHE A 31 3.402 6.389 -2.566 1.00 12.10 H new ATOM 0 HZ PHE A 31 5.231 8.016 -2.788 1.00 34.53 H new ATOM 474 N ALA A 32 -0.832 7.938 -8.404 1.00 42.42 N ATOM 475 CA ALA A 32 -1.955 7.653 -9.323 1.00 14.24 C ATOM 476 C ALA A 32 -2.244 8.840 -10.264 1.00 14.42 C ATOM 477 O ALA A 32 -2.563 8.643 -11.444 1.00 71.21 O ATOM 478 CB ALA A 32 -3.215 7.311 -8.512 1.00 40.01 C ATOM 0 H ALA A 32 -1.126 8.087 -7.439 1.00 42.42 H new ATOM 0 HA ALA A 32 -1.670 6.803 -9.942 1.00 14.24 H new ATOM 0 HB1 ALA A 32 -4.040 7.102 -9.193 1.00 40.01 H new ATOM 0 HB2 ALA A 32 -3.023 6.434 -7.894 1.00 40.01 H new ATOM 0 HB3 ALA A 32 -3.477 8.155 -7.873 1.00 40.01 H new ATOM 484 N ARG A 33 -2.106 10.072 -9.728 1.00 73.32 N ATOM 485 CA ARG A 33 -2.486 11.318 -10.441 1.00 4.45 C ATOM 486 C ARG A 33 -1.474 11.696 -11.542 1.00 50.03 C ATOM 487 O ARG A 33 -1.687 12.667 -12.282 1.00 0.41 O ATOM 488 CB ARG A 33 -2.652 12.482 -9.427 1.00 43.25 C ATOM 489 CG ARG A 33 -1.328 13.056 -8.866 1.00 12.53 C ATOM 490 CD ARG A 33 -1.535 13.974 -7.650 1.00 62.40 C ATOM 491 NE ARG A 33 -2.481 15.068 -7.911 1.00 51.01 N ATOM 492 CZ ARG A 33 -2.665 16.138 -7.122 1.00 13.34 C ATOM 493 NH1 ARG A 33 -1.965 16.302 -6.002 1.00 41.24 N ATOM 494 NH2 ARG A 33 -3.573 17.035 -7.458 1.00 44.35 N ATOM 0 H ARG A 33 -1.730 10.234 -8.794 1.00 73.32 H new ATOM 0 HA ARG A 33 -3.439 11.134 -10.937 1.00 4.45 H new ATOM 0 HB2 ARG A 33 -3.204 13.288 -9.910 1.00 43.25 H new ATOM 0 HB3 ARG A 33 -3.261 12.133 -8.593 1.00 43.25 H new ATOM 0 HG2 ARG A 33 -0.673 12.232 -8.584 1.00 12.53 H new ATOM 0 HG3 ARG A 33 -0.819 13.614 -9.652 1.00 12.53 H new ATOM 0 HD2 ARG A 33 -1.897 13.380 -6.811 1.00 62.40 H new ATOM 0 HD3 ARG A 33 -0.575 14.395 -7.352 1.00 62.40 H new ATOM 0 HE ARG A 33 -3.043 15.009 -8.760 1.00 51.01 H new ATOM 0 HH11 ARG A 33 -1.271 15.606 -5.728 1.00 41.24 H new ATOM 0 HH12 ARG A 33 -2.122 17.123 -5.418 1.00 41.24 H new ATOM 0 HH21 ARG A 33 -4.124 16.910 -8.307 1.00 44.35 H new ATOM 0 HH22 ARG A 33 -3.724 17.853 -6.868 1.00 44.35 H new ATOM 508 N ARG A 34 -0.365 10.940 -11.627 1.00 61.12 N ATOM 509 CA ARG A 34 0.587 11.041 -12.725 1.00 53.04 C ATOM 510 C ARG A 34 -0.056 10.469 -14.008 1.00 74.31 C ATOM 511 O ARG A 34 -0.558 11.228 -14.840 1.00 1.42 O ATOM 512 CB ARG A 34 1.901 10.291 -12.353 1.00 40.11 C ATOM 513 CG ARG A 34 2.900 10.091 -13.521 1.00 72.43 C ATOM 514 CD ARG A 34 4.053 9.148 -13.145 1.00 42.14 C ATOM 515 NE ARG A 34 4.740 8.591 -14.323 1.00 43.20 N ATOM 516 CZ ARG A 34 5.340 7.389 -14.357 1.00 65.22 C ATOM 517 NH1 ARG A 34 5.336 6.600 -13.286 1.00 11.04 N ATOM 518 NH2 ARG A 34 5.929 6.978 -15.473 1.00 54.14 N ATOM 0 H ARG A 34 -0.111 10.242 -10.928 1.00 61.12 H new ATOM 0 HA ARG A 34 0.843 12.084 -12.909 1.00 53.04 H new ATOM 0 HB2 ARG A 34 2.402 10.842 -11.558 1.00 40.11 H new ATOM 0 HB3 ARG A 34 1.640 9.313 -11.948 1.00 40.11 H new ATOM 0 HG2 ARG A 34 2.371 9.688 -14.384 1.00 72.43 H new ATOM 0 HG3 ARG A 34 3.306 11.058 -13.819 1.00 72.43 H new ATOM 0 HD2 ARG A 34 4.774 9.689 -12.531 1.00 42.14 H new ATOM 0 HD3 ARG A 34 3.665 8.331 -12.536 1.00 42.14 H new ATOM 0 HE ARG A 34 4.762 9.157 -15.171 1.00 43.20 H new ATOM 0 HH11 ARG A 34 4.875 6.906 -12.429 1.00 11.04 H new ATOM 0 HH12 ARG A 34 5.794 5.689 -13.322 1.00 11.04 H new ATOM 0 HH21 ARG A 34 5.925 7.574 -16.301 1.00 54.14 H new ATOM 0 HH22 ARG A 34 6.385 6.066 -15.503 1.00 54.14 H new ATOM 532 N ALA A 35 -0.094 9.123 -14.104 1.00 44.12 N ATOM 533 CA ALA A 35 -0.523 8.392 -15.314 1.00 34.13 C ATOM 534 C ALA A 35 -0.376 6.888 -15.072 1.00 11.24 C ATOM 535 O ALA A 35 -1.325 6.107 -15.233 1.00 14.32 O ATOM 536 CB ALA A 35 0.306 8.818 -16.549 1.00 42.11 C ATOM 0 H ALA A 35 0.175 8.508 -13.336 1.00 44.12 H new ATOM 0 HA ALA A 35 -1.567 8.633 -15.517 1.00 34.13 H new ATOM 0 HB1 ALA A 35 -0.033 8.263 -17.424 1.00 42.11 H new ATOM 0 HB2 ALA A 35 0.176 9.886 -16.724 1.00 42.11 H new ATOM 0 HB3 ALA A 35 1.360 8.606 -16.371 1.00 42.11 H new ATOM 542 N PHE A 36 0.846 6.496 -14.672 1.00 34.51 N ATOM 543 CA PHE A 36 1.213 5.089 -14.441 1.00 12.21 C ATOM 544 C PHE A 36 1.048 4.761 -12.943 1.00 23.31 C ATOM 545 O PHE A 36 1.392 5.578 -12.080 1.00 32.54 O ATOM 546 CB PHE A 36 2.671 4.825 -14.921 1.00 5.11 C ATOM 547 CG PHE A 36 3.088 3.347 -14.910 1.00 71.31 C ATOM 548 CD1 PHE A 36 2.670 2.477 -15.924 1.00 20.14 C ATOM 549 CD2 PHE A 36 3.890 2.824 -13.893 1.00 62.32 C ATOM 550 CE1 PHE A 36 3.044 1.141 -15.917 1.00 0.23 C ATOM 551 CE2 PHE A 36 4.262 1.489 -13.888 1.00 74.24 C ATOM 552 CZ PHE A 36 3.840 0.650 -14.899 1.00 54.52 C ATOM 0 H PHE A 36 1.610 7.150 -14.499 1.00 34.51 H new ATOM 0 HA PHE A 36 0.555 4.438 -15.016 1.00 12.21 H new ATOM 0 HB2 PHE A 36 2.783 5.213 -15.933 1.00 5.11 H new ATOM 0 HB3 PHE A 36 3.356 5.387 -14.287 1.00 5.11 H new ATOM 0 HD1 PHE A 36 2.047 2.851 -16.723 1.00 20.14 H new ATOM 0 HD2 PHE A 36 4.226 3.471 -13.097 1.00 62.32 H new ATOM 0 HE1 PHE A 36 2.713 0.484 -16.708 1.00 0.23 H new ATOM 0 HE2 PHE A 36 4.883 1.105 -13.092 1.00 74.24 H new ATOM 0 HZ PHE A 36 4.131 -0.390 -14.895 1.00 54.52 H new ATOM 562 N ASN A 37 0.537 3.550 -12.660 1.00 73.54 N ATOM 563 CA ASN A 37 0.176 3.104 -11.298 1.00 30.23 C ATOM 564 C ASN A 37 1.312 2.276 -10.684 1.00 70.43 C ATOM 565 O ASN A 37 2.226 1.838 -11.393 1.00 50.53 O ATOM 566 CB ASN A 37 -1.113 2.251 -11.364 1.00 41.52 C ATOM 567 CG ASN A 37 -2.267 2.945 -12.095 1.00 71.13 C ATOM 568 OD1 ASN A 37 -2.485 4.151 -11.957 1.00 63.50 O ATOM 569 ND2 ASN A 37 -2.999 2.195 -12.904 1.00 1.03 N ATOM 0 H ASN A 37 0.360 2.845 -13.375 1.00 73.54 H new ATOM 0 HA ASN A 37 0.008 3.980 -10.672 1.00 30.23 H new ATOM 0 HB2 ASN A 37 -0.891 1.309 -11.864 1.00 41.52 H new ATOM 0 HB3 ASN A 37 -1.430 2.007 -10.350 1.00 41.52 H new ATOM 0 HD21 ASN A 37 -3.765 2.612 -13.432 1.00 1.03 H new ATOM 0 HD22 ASN A 37 -2.797 1.200 -12.999 1.00 1.03 H new ATOM 576 N VAL A 38 1.224 2.028 -9.368 1.00 70.42 N ATOM 577 CA VAL A 38 2.247 1.272 -8.625 1.00 0.01 C ATOM 578 C VAL A 38 2.089 -0.245 -8.879 1.00 40.12 C ATOM 579 O VAL A 38 0.965 -0.750 -8.973 1.00 54.05 O ATOM 580 CB VAL A 38 2.187 1.588 -7.081 1.00 21.41 C ATOM 581 CG1 VAL A 38 3.336 0.894 -6.327 1.00 35.12 C ATOM 582 CG2 VAL A 38 2.209 3.114 -6.824 1.00 72.45 C ATOM 0 H VAL A 38 0.445 2.344 -8.790 1.00 70.42 H new ATOM 0 HA VAL A 38 3.225 1.586 -8.989 1.00 0.01 H new ATOM 0 HB VAL A 38 1.245 1.193 -6.700 1.00 21.41 H new ATOM 0 HG11 VAL A 38 3.269 1.130 -5.265 1.00 35.12 H new ATOM 0 HG12 VAL A 38 3.262 -0.185 -6.464 1.00 35.12 H new ATOM 0 HG13 VAL A 38 4.291 1.245 -6.717 1.00 35.12 H new ATOM 0 HG21 VAL A 38 2.167 3.303 -5.751 1.00 72.45 H new ATOM 0 HG22 VAL A 38 3.127 3.538 -7.231 1.00 72.45 H new ATOM 0 HG23 VAL A 38 1.349 3.577 -7.308 1.00 72.45 H new ATOM 592 N GLU A 39 3.232 -0.941 -9.001 1.00 14.30 N ATOM 593 CA GLU A 39 3.309 -2.385 -9.286 1.00 24.34 C ATOM 594 C GLU A 39 3.320 -3.183 -7.965 1.00 13.23 C ATOM 595 O GLU A 39 2.576 -4.163 -7.799 1.00 25.43 O ATOM 596 CB GLU A 39 4.608 -2.651 -10.106 1.00 73.20 C ATOM 597 CG GLU A 39 4.898 -4.129 -10.443 1.00 3.44 C ATOM 598 CD GLU A 39 6.302 -4.351 -11.036 1.00 43.41 C ATOM 599 OE1 GLU A 39 7.272 -4.467 -10.254 1.00 71.41 O ATOM 600 OE2 GLU A 39 6.440 -4.417 -12.282 1.00 61.32 O ATOM 0 H GLU A 39 4.149 -0.506 -8.902 1.00 14.30 H new ATOM 0 HA GLU A 39 2.441 -2.707 -9.862 1.00 24.34 H new ATOM 0 HB2 GLU A 39 4.548 -2.090 -11.039 1.00 73.20 H new ATOM 0 HB3 GLU A 39 5.455 -2.252 -9.548 1.00 73.20 H new ATOM 0 HG2 GLU A 39 4.793 -4.729 -9.539 1.00 3.44 H new ATOM 0 HG3 GLU A 39 4.151 -4.487 -11.151 1.00 3.44 H new ATOM 607 N GLY A 40 4.174 -2.733 -7.026 1.00 31.10 N ATOM 608 CA GLY A 40 4.361 -3.402 -5.735 1.00 52.02 C ATOM 609 C GLY A 40 4.481 -2.406 -4.590 1.00 20.41 C ATOM 610 O GLY A 40 5.032 -1.325 -4.766 1.00 34.33 O ATOM 0 H GLY A 40 4.749 -1.899 -7.145 1.00 31.10 H new ATOM 0 HA2 GLY A 40 3.521 -4.070 -5.548 1.00 52.02 H new ATOM 0 HA3 GLY A 40 5.258 -4.020 -5.773 1.00 52.02 H new ATOM 614 N ILE A 41 3.951 -2.770 -3.412 1.00 70.43 N ATOM 615 CA ILE A 41 3.947 -1.915 -2.201 1.00 23.12 C ATOM 616 C ILE A 41 4.388 -2.765 -1.001 1.00 2.54 C ATOM 617 O ILE A 41 4.120 -3.971 -0.958 1.00 11.24 O ATOM 618 CB ILE A 41 2.510 -1.288 -1.913 1.00 3.33 C ATOM 619 CG1 ILE A 41 2.016 -0.445 -3.130 1.00 11.04 C ATOM 620 CG2 ILE A 41 2.485 -0.438 -0.612 1.00 45.51 C ATOM 621 CD1 ILE A 41 0.662 0.223 -2.954 1.00 11.10 C ATOM 0 H ILE A 41 3.506 -3.676 -3.265 1.00 70.43 H new ATOM 0 HA ILE A 41 4.635 -1.086 -2.365 1.00 23.12 H new ATOM 0 HB ILE A 41 1.825 -2.123 -1.764 1.00 3.33 H new ATOM 0 HG12 ILE A 41 2.757 0.325 -3.342 1.00 11.04 H new ATOM 0 HG13 ILE A 41 1.971 -1.093 -4.005 1.00 11.04 H new ATOM 0 HG21 ILE A 41 1.484 -0.033 -0.461 1.00 45.51 H new ATOM 0 HG22 ILE A 41 2.755 -1.065 0.238 1.00 45.51 H new ATOM 0 HG23 ILE A 41 3.198 0.382 -0.699 1.00 45.51 H new ATOM 0 HD11 ILE A 41 0.413 0.783 -3.855 1.00 11.10 H new ATOM 0 HD12 ILE A 41 -0.099 -0.537 -2.777 1.00 11.10 H new ATOM 0 HD13 ILE A 41 0.700 0.903 -2.103 1.00 11.10 H new ATOM 633 N LEU A 42 5.072 -2.133 -0.039 1.00 41.25 N ATOM 634 CA LEU A 42 5.437 -2.765 1.228 1.00 55.04 C ATOM 635 C LEU A 42 5.463 -1.709 2.342 1.00 3.03 C ATOM 636 O LEU A 42 6.440 -0.978 2.484 1.00 40.35 O ATOM 637 CB LEU A 42 6.810 -3.490 1.122 1.00 31.33 C ATOM 638 CG LEU A 42 7.353 -4.108 2.454 1.00 43.52 C ATOM 639 CD1 LEU A 42 6.415 -5.190 3.021 1.00 54.03 C ATOM 640 CD2 LEU A 42 8.772 -4.642 2.268 1.00 32.34 C ATOM 0 H LEU A 42 5.387 -1.166 -0.121 1.00 41.25 H new ATOM 0 HA LEU A 42 4.688 -3.519 1.469 1.00 55.04 H new ATOM 0 HB2 LEU A 42 6.724 -4.285 0.382 1.00 31.33 H new ATOM 0 HB3 LEU A 42 7.547 -2.781 0.744 1.00 31.33 H new ATOM 0 HG LEU A 42 7.386 -3.306 3.191 1.00 43.52 H new ATOM 0 HD11 LEU A 42 6.835 -5.588 3.945 1.00 54.03 H new ATOM 0 HD12 LEU A 42 5.437 -4.753 3.226 1.00 54.03 H new ATOM 0 HD13 LEU A 42 6.308 -5.996 2.295 1.00 54.03 H new ATOM 0 HD21 LEU A 42 9.127 -5.066 3.207 1.00 32.34 H new ATOM 0 HD22 LEU A 42 8.772 -5.414 1.498 1.00 32.34 H new ATOM 0 HD23 LEU A 42 9.430 -3.828 1.966 1.00 32.34 H new ATOM 652 N CYS A 43 4.371 -1.613 3.112 1.00 14.20 N ATOM 653 CA CYS A 43 4.342 -0.813 4.342 1.00 40.14 C ATOM 654 C CYS A 43 4.827 -1.694 5.490 1.00 31.02 C ATOM 655 O CYS A 43 4.103 -2.581 5.956 1.00 24.22 O ATOM 656 CB CYS A 43 2.929 -0.276 4.640 1.00 23.22 C ATOM 657 SG CYS A 43 2.793 0.608 6.207 1.00 50.42 S ATOM 0 H CYS A 43 3.491 -2.083 2.902 1.00 14.20 H new ATOM 0 HA CYS A 43 4.991 0.054 4.222 1.00 40.14 H new ATOM 0 HB2 CYS A 43 2.627 0.390 3.832 1.00 23.22 H new ATOM 0 HB3 CYS A 43 2.228 -1.111 4.644 1.00 23.22 H new ATOM 0 HG CYS A 43 2.306 -0.187 7.113 1.00 50.42 H new ATOM 663 N LEU A 44 6.096 -1.505 5.851 1.00 30.34 N ATOM 664 CA LEU A 44 6.740 -2.183 6.975 1.00 64.51 C ATOM 665 C LEU A 44 6.535 -1.323 8.240 1.00 33.04 C ATOM 666 O LEU A 44 7.123 -0.231 8.327 1.00 13.14 O ATOM 667 CB LEU A 44 8.251 -2.346 6.666 1.00 44.12 C ATOM 668 CG LEU A 44 9.082 -3.247 7.626 1.00 13.35 C ATOM 669 CD1 LEU A 44 8.747 -4.737 7.417 1.00 65.22 C ATOM 670 CD2 LEU A 44 10.600 -2.983 7.467 1.00 23.42 C ATOM 0 H LEU A 44 6.718 -0.863 5.360 1.00 30.34 H new ATOM 0 HA LEU A 44 6.308 -3.171 7.135 1.00 64.51 H new ATOM 0 HB2 LEU A 44 8.348 -2.748 5.658 1.00 44.12 H new ATOM 0 HB3 LEU A 44 8.703 -1.354 6.658 1.00 44.12 H new ATOM 0 HG LEU A 44 8.808 -2.987 8.648 1.00 13.35 H new ATOM 0 HD11 LEU A 44 9.342 -5.343 8.100 1.00 65.22 H new ATOM 0 HD12 LEU A 44 7.688 -4.903 7.613 1.00 65.22 H new ATOM 0 HD13 LEU A 44 8.974 -5.020 6.389 1.00 65.22 H new ATOM 0 HD21 LEU A 44 11.155 -3.626 8.150 1.00 23.42 H new ATOM 0 HD22 LEU A 44 10.901 -3.197 6.442 1.00 23.42 H new ATOM 0 HD23 LEU A 44 10.814 -1.939 7.698 1.00 23.42 H new ATOM 682 N PRO A 45 5.657 -1.747 9.209 1.00 23.22 N ATOM 683 CA PRO A 45 5.482 -1.013 10.477 1.00 21.24 C ATOM 684 C PRO A 45 6.775 -1.072 11.310 1.00 45.53 C ATOM 685 O PRO A 45 7.187 -2.148 11.762 1.00 14.15 O ATOM 686 CB PRO A 45 4.303 -1.741 11.172 1.00 61.14 C ATOM 687 CG PRO A 45 4.280 -3.112 10.564 1.00 35.44 C ATOM 688 CD PRO A 45 4.774 -2.946 9.142 1.00 13.41 C ATOM 0 HA PRO A 45 5.273 0.048 10.340 1.00 21.24 H new ATOM 0 HB2 PRO A 45 4.451 -1.790 12.251 1.00 61.14 H new ATOM 0 HB3 PRO A 45 3.362 -1.218 11.003 1.00 61.14 H new ATOM 0 HG2 PRO A 45 4.919 -3.797 11.122 1.00 35.44 H new ATOM 0 HG3 PRO A 45 3.273 -3.530 10.581 1.00 35.44 H new ATOM 0 HD2 PRO A 45 5.320 -3.826 8.803 1.00 13.41 H new ATOM 0 HD3 PRO A 45 3.948 -2.796 8.447 1.00 13.41 H new ATOM 696 N ILE A 46 7.428 0.087 11.451 1.00 32.50 N ATOM 697 CA ILE A 46 8.660 0.219 12.224 1.00 71.33 C ATOM 698 C ILE A 46 8.320 0.061 13.718 1.00 0.22 C ATOM 699 O ILE A 46 7.721 0.951 14.316 1.00 43.34 O ATOM 700 CB ILE A 46 9.357 1.604 11.934 1.00 14.14 C ATOM 701 CG1 ILE A 46 9.634 1.789 10.397 1.00 0.50 C ATOM 702 CG2 ILE A 46 10.653 1.785 12.762 1.00 13.43 C ATOM 703 CD1 ILE A 46 10.514 0.721 9.745 1.00 41.50 C ATOM 0 H ILE A 46 7.113 0.961 11.029 1.00 32.50 H new ATOM 0 HA ILE A 46 9.366 -0.558 11.933 1.00 71.33 H new ATOM 0 HB ILE A 46 8.664 2.385 12.248 1.00 14.14 H new ATOM 0 HG12 ILE A 46 8.677 1.813 9.875 1.00 0.50 H new ATOM 0 HG13 ILE A 46 10.103 2.761 10.246 1.00 0.50 H new ATOM 0 HG21 ILE A 46 11.100 2.752 12.531 1.00 13.43 H new ATOM 0 HG22 ILE A 46 10.415 1.740 13.825 1.00 13.43 H new ATOM 0 HG23 ILE A 46 11.357 0.991 12.514 1.00 13.43 H new ATOM 0 HD11 ILE A 46 10.638 0.949 8.686 1.00 41.50 H new ATOM 0 HD12 ILE A 46 11.490 0.708 10.230 1.00 41.50 H new ATOM 0 HD13 ILE A 46 10.042 -0.255 9.853 1.00 41.50 H new ATOM 715 N GLN A 47 8.664 -1.111 14.285 1.00 62.04 N ATOM 716 CA GLN A 47 8.345 -1.470 15.692 1.00 74.41 C ATOM 717 C GLN A 47 9.059 -0.561 16.709 1.00 35.03 C ATOM 718 O GLN A 47 8.690 -0.531 17.884 1.00 11.44 O ATOM 719 CB GLN A 47 8.726 -2.949 15.969 1.00 3.44 C ATOM 720 CG GLN A 47 10.238 -3.260 15.857 1.00 74.31 C ATOM 721 CD GLN A 47 10.605 -4.707 16.205 1.00 73.13 C ATOM 722 OE1 GLN A 47 9.941 -5.355 17.018 1.00 74.42 O ATOM 723 NE2 GLN A 47 11.674 -5.216 15.609 1.00 10.45 N ATOM 0 H GLN A 47 9.172 -1.841 13.785 1.00 62.04 H new ATOM 0 HA GLN A 47 7.271 -1.329 15.817 1.00 74.41 H new ATOM 0 HB2 GLN A 47 8.387 -3.216 16.970 1.00 3.44 H new ATOM 0 HB3 GLN A 47 8.185 -3.586 15.269 1.00 3.44 H new ATOM 0 HG2 GLN A 47 10.568 -3.047 14.840 1.00 74.31 H new ATOM 0 HG3 GLN A 47 10.786 -2.588 16.517 1.00 74.31 H new ATOM 0 HE21 GLN A 47 12.202 -4.654 14.941 1.00 10.45 H new ATOM 0 HE22 GLN A 47 11.969 -6.170 15.818 1.00 10.45 H new ATOM 732 N ASP A 48 10.090 0.148 16.233 1.00 53.01 N ATOM 733 CA ASP A 48 10.941 1.007 17.058 1.00 73.43 C ATOM 734 C ASP A 48 10.189 2.273 17.542 1.00 64.12 C ATOM 735 O ASP A 48 10.337 2.683 18.695 1.00 30.44 O ATOM 736 CB ASP A 48 12.209 1.381 16.245 1.00 4.22 C ATOM 737 CG ASP A 48 13.155 2.349 16.981 1.00 34.23 C ATOM 738 OD1 ASP A 48 13.973 1.886 17.807 1.00 63.14 O ATOM 739 OD2 ASP A 48 13.081 3.578 16.734 1.00 71.52 O ATOM 0 H ASP A 48 10.358 0.139 15.249 1.00 53.01 H new ATOM 0 HA ASP A 48 11.230 0.461 17.956 1.00 73.43 H new ATOM 0 HB2 ASP A 48 12.755 0.470 16.001 1.00 4.22 H new ATOM 0 HB3 ASP A 48 11.904 1.833 15.301 1.00 4.22 H new ATOM 744 N SER A 49 9.382 2.877 16.650 1.00 31.30 N ATOM 745 CA SER A 49 8.648 4.143 16.925 1.00 64.24 C ATOM 746 C SER A 49 7.263 4.133 16.237 1.00 45.32 C ATOM 747 O SER A 49 6.950 3.202 15.495 1.00 12.23 O ATOM 748 CB SER A 49 9.481 5.358 16.440 1.00 1.03 C ATOM 749 OG SER A 49 10.734 5.441 17.105 1.00 21.51 O ATOM 0 H SER A 49 9.215 2.506 15.714 1.00 31.30 H new ATOM 0 HA SER A 49 8.494 4.227 18.001 1.00 64.24 H new ATOM 0 HB2 SER A 49 9.645 5.280 15.365 1.00 1.03 H new ATOM 0 HB3 SER A 49 8.918 6.276 16.611 1.00 1.03 H new ATOM 0 HG SER A 49 11.315 4.712 16.801 1.00 21.51 H new ATOM 755 N ASP A 50 6.426 5.172 16.488 1.00 64.20 N ATOM 756 CA ASP A 50 5.100 5.306 15.843 1.00 55.14 C ATOM 757 C ASP A 50 5.264 5.785 14.378 1.00 11.24 C ATOM 758 O ASP A 50 5.097 6.960 14.051 1.00 25.55 O ATOM 759 CB ASP A 50 4.156 6.242 16.682 1.00 24.31 C ATOM 760 CG ASP A 50 4.650 7.704 16.833 1.00 32.23 C ATOM 761 OD1 ASP A 50 5.713 7.917 17.456 1.00 31.21 O ATOM 762 OD2 ASP A 50 3.991 8.637 16.309 1.00 20.40 O ATOM 0 H ASP A 50 6.649 5.929 17.134 1.00 64.20 H new ATOM 0 HA ASP A 50 4.619 4.329 15.814 1.00 55.14 H new ATOM 0 HB2 ASP A 50 3.171 6.253 16.214 1.00 24.31 H new ATOM 0 HB3 ASP A 50 4.032 5.812 17.676 1.00 24.31 H new ATOM 767 N LYS A 51 5.640 4.834 13.507 1.00 70.01 N ATOM 768 CA LYS A 51 5.894 5.086 12.082 1.00 62.30 C ATOM 769 C LYS A 51 5.904 3.777 11.287 1.00 30.42 C ATOM 770 O LYS A 51 6.033 2.679 11.844 1.00 42.12 O ATOM 771 CB LYS A 51 7.238 5.856 11.868 1.00 2.53 C ATOM 772 CG LYS A 51 8.486 5.226 12.546 1.00 23.43 C ATOM 773 CD LYS A 51 9.825 5.849 12.068 1.00 11.40 C ATOM 774 CE LYS A 51 9.896 7.374 12.264 1.00 74.31 C ATOM 775 NZ LYS A 51 9.867 7.758 13.697 1.00 50.34 N ATOM 0 H LYS A 51 5.777 3.860 13.777 1.00 70.01 H new ATOM 0 HA LYS A 51 5.081 5.712 11.714 1.00 62.30 H new ATOM 0 HB2 LYS A 51 7.427 5.931 10.797 1.00 2.53 H new ATOM 0 HB3 LYS A 51 7.117 6.873 12.242 1.00 2.53 H new ATOM 0 HG2 LYS A 51 8.403 5.345 13.626 1.00 23.43 H new ATOM 0 HG3 LYS A 51 8.499 4.155 12.344 1.00 23.43 H new ATOM 0 HD2 LYS A 51 10.648 5.382 12.610 1.00 11.40 H new ATOM 0 HD3 LYS A 51 9.967 5.619 11.012 1.00 11.40 H new ATOM 0 HE2 LYS A 51 10.809 7.755 11.806 1.00 74.31 H new ATOM 0 HE3 LYS A 51 9.060 7.844 11.747 1.00 74.31 H new ATOM 0 HZ1 LYS A 51 9.917 8.793 13.780 1.00 50.34 H new ATOM 0 HZ2 LYS A 51 8.984 7.418 14.130 1.00 50.34 H new ATOM 0 HZ3 LYS A 51 10.679 7.332 14.187 1.00 50.34 H new ATOM 789 N SER A 52 5.754 3.932 9.973 1.00 4.41 N ATOM 790 CA SER A 52 5.801 2.854 8.993 1.00 21.21 C ATOM 791 C SER A 52 6.524 3.378 7.738 1.00 33.02 C ATOM 792 O SER A 52 6.243 4.490 7.276 1.00 2.44 O ATOM 793 CB SER A 52 4.365 2.398 8.648 1.00 3.14 C ATOM 794 OG SER A 52 3.666 1.958 9.808 1.00 51.34 O ATOM 0 H SER A 52 5.591 4.845 9.549 1.00 4.41 H new ATOM 0 HA SER A 52 6.339 1.995 9.393 1.00 21.21 H new ATOM 0 HB2 SER A 52 3.822 3.222 8.185 1.00 3.14 H new ATOM 0 HB3 SER A 52 4.404 1.591 7.917 1.00 3.14 H new ATOM 0 HG SER A 52 2.761 1.678 9.558 1.00 51.34 H new ATOM 800 N HIS A 53 7.481 2.601 7.224 1.00 35.42 N ATOM 801 CA HIS A 53 8.230 2.944 6.000 1.00 60.42 C ATOM 802 C HIS A 53 7.623 2.141 4.837 1.00 70.51 C ATOM 803 O HIS A 53 7.454 0.933 4.963 1.00 13.44 O ATOM 804 CB HIS A 53 9.734 2.611 6.211 1.00 51.21 C ATOM 805 CG HIS A 53 10.681 3.257 5.223 1.00 0.21 C ATOM 806 ND1 HIS A 53 11.608 4.200 5.593 1.00 62.43 N ATOM 807 CD2 HIS A 53 10.875 3.067 3.894 1.00 72.40 C ATOM 808 CE1 HIS A 53 12.320 4.553 4.550 1.00 63.31 C ATOM 809 NE2 HIS A 53 11.905 3.883 3.512 1.00 53.02 N ATOM 0 H HIS A 53 7.763 1.714 7.641 1.00 35.42 H new ATOM 0 HA HIS A 53 8.159 4.007 5.770 1.00 60.42 H new ATOM 0 HB2 HIS A 53 10.020 2.917 7.217 1.00 51.21 H new ATOM 0 HB3 HIS A 53 9.861 1.530 6.158 1.00 51.21 H new ATOM 0 HD1 HIS A 53 11.725 4.570 6.536 1.00 62.43 H new ATOM 0 HD2 HIS A 53 10.319 2.396 3.256 1.00 72.40 H new ATOM 0 HE1 HIS A 53 13.119 5.280 4.551 1.00 63.31 H new ATOM 818 N ILE A 54 7.269 2.808 3.720 1.00 51.32 N ATOM 819 CA ILE A 54 6.578 2.164 2.586 1.00 74.22 C ATOM 820 C ILE A 54 7.487 2.182 1.342 1.00 44.43 C ATOM 821 O ILE A 54 7.933 3.249 0.923 1.00 62.35 O ATOM 822 CB ILE A 54 5.185 2.843 2.230 1.00 52.41 C ATOM 823 CG1 ILE A 54 4.237 3.001 3.476 1.00 52.55 C ATOM 824 CG2 ILE A 54 4.466 2.032 1.127 1.00 3.40 C ATOM 825 CD1 ILE A 54 4.588 4.131 4.427 1.00 23.11 C ATOM 0 H ILE A 54 7.453 3.801 3.579 1.00 51.32 H new ATOM 0 HA ILE A 54 6.365 1.140 2.894 1.00 74.22 H new ATOM 0 HB ILE A 54 5.411 3.848 1.873 1.00 52.41 H new ATOM 0 HG12 ILE A 54 3.219 3.154 3.118 1.00 52.55 H new ATOM 0 HG13 ILE A 54 4.241 2.065 4.035 1.00 52.55 H new ATOM 0 HG21 ILE A 54 3.513 2.505 0.890 1.00 3.40 H new ATOM 0 HG22 ILE A 54 5.089 2.003 0.233 1.00 3.40 H new ATOM 0 HG23 ILE A 54 4.289 1.016 1.479 1.00 3.40 H new ATOM 0 HD11 ILE A 54 3.872 4.150 5.249 1.00 23.11 H new ATOM 0 HD12 ILE A 54 5.591 3.975 4.823 1.00 23.11 H new ATOM 0 HD13 ILE A 54 4.553 5.080 3.893 1.00 23.11 H new ATOM 837 N TRP A 55 7.759 0.989 0.780 1.00 61.51 N ATOM 838 CA TRP A 55 8.509 0.816 -0.475 1.00 14.34 C ATOM 839 C TRP A 55 7.519 0.740 -1.651 1.00 22.30 C ATOM 840 O TRP A 55 6.749 -0.219 -1.756 1.00 55.20 O ATOM 841 CB TRP A 55 9.382 -0.476 -0.398 1.00 5.20 C ATOM 842 CG TRP A 55 10.576 -0.354 0.537 1.00 63.10 C ATOM 843 CD1 TRP A 55 11.868 -0.144 0.178 1.00 42.12 C ATOM 844 CD2 TRP A 55 10.589 -0.428 1.967 1.00 2.32 C ATOM 845 NE1 TRP A 55 12.671 -0.042 1.279 1.00 14.45 N ATOM 846 CE2 TRP A 55 11.919 -0.230 2.390 1.00 55.44 C ATOM 847 CE3 TRP A 55 9.616 -0.633 2.922 1.00 74.00 C ATOM 848 CZ2 TRP A 55 12.288 -0.232 3.732 1.00 75.13 C ATOM 849 CZ3 TRP A 55 9.981 -0.642 4.244 1.00 64.32 C ATOM 850 CH2 TRP A 55 11.304 -0.443 4.647 1.00 43.44 C ATOM 0 H TRP A 55 7.459 0.106 1.193 1.00 61.51 H new ATOM 0 HA TRP A 55 9.173 1.666 -0.629 1.00 14.34 H new ATOM 0 HB2 TRP A 55 8.757 -1.306 -0.069 1.00 5.20 H new ATOM 0 HB3 TRP A 55 9.739 -0.723 -1.398 1.00 5.20 H new ATOM 0 HD1 TRP A 55 12.215 -0.068 -0.842 1.00 42.12 H new ATOM 0 HE1 TRP A 55 13.674 0.145 1.266 1.00 14.45 H new ATOM 0 HE3 TRP A 55 8.586 -0.784 2.635 1.00 74.00 H new ATOM 0 HZ2 TRP A 55 13.313 -0.073 4.034 1.00 75.13 H new ATOM 0 HZ3 TRP A 55 9.223 -0.808 4.996 1.00 64.32 H new ATOM 0 HH2 TRP A 55 11.548 -0.457 5.699 1.00 43.44 H new ATOM 861 N LEU A 56 7.522 1.781 -2.502 1.00 15.53 N ATOM 862 CA LEU A 56 6.680 1.853 -3.711 1.00 22.54 C ATOM 863 C LEU A 56 7.513 1.471 -4.942 1.00 4.12 C ATOM 864 O LEU A 56 8.372 2.239 -5.381 1.00 12.02 O ATOM 865 CB LEU A 56 6.068 3.278 -3.907 1.00 72.14 C ATOM 866 CG LEU A 56 5.033 3.775 -2.836 1.00 21.04 C ATOM 867 CD1 LEU A 56 3.920 2.738 -2.584 1.00 1.23 C ATOM 868 CD2 LEU A 56 5.712 4.241 -1.522 1.00 71.43 C ATOM 0 H LEU A 56 8.113 2.602 -2.370 1.00 15.53 H new ATOM 0 HA LEU A 56 5.855 1.152 -3.588 1.00 22.54 H new ATOM 0 HB2 LEU A 56 6.888 3.995 -3.940 1.00 72.14 H new ATOM 0 HB3 LEU A 56 5.582 3.304 -4.882 1.00 72.14 H new ATOM 0 HG LEU A 56 4.552 4.658 -3.257 1.00 21.04 H new ATOM 0 HD11 LEU A 56 3.226 3.123 -1.836 1.00 1.23 H new ATOM 0 HD12 LEU A 56 3.383 2.547 -3.513 1.00 1.23 H new ATOM 0 HD13 LEU A 56 4.363 1.809 -2.224 1.00 1.23 H new ATOM 0 HD21 LEU A 56 4.950 4.574 -0.817 1.00 71.43 H new ATOM 0 HD22 LEU A 56 6.271 3.412 -1.087 1.00 71.43 H new ATOM 0 HD23 LEU A 56 6.393 5.065 -1.737 1.00 71.43 H new ATOM 880 N LEU A 57 7.251 0.280 -5.474 1.00 24.02 N ATOM 881 CA LEU A 57 7.859 -0.218 -6.711 1.00 20.44 C ATOM 882 C LEU A 57 7.016 0.263 -7.894 1.00 53.23 C ATOM 883 O LEU A 57 5.941 -0.273 -8.159 1.00 45.10 O ATOM 884 CB LEU A 57 7.957 -1.773 -6.690 1.00 74.03 C ATOM 885 CG LEU A 57 9.187 -2.391 -5.946 1.00 63.04 C ATOM 886 CD1 LEU A 57 9.345 -1.865 -4.502 1.00 74.12 C ATOM 887 CD2 LEU A 57 9.101 -3.929 -5.982 1.00 30.01 C ATOM 0 H LEU A 57 6.598 -0.381 -5.052 1.00 24.02 H new ATOM 0 HA LEU A 57 8.874 0.168 -6.806 1.00 20.44 H new ATOM 0 HB2 LEU A 57 7.050 -2.165 -6.230 1.00 74.03 H new ATOM 0 HB3 LEU A 57 7.970 -2.127 -7.721 1.00 74.03 H new ATOM 0 HG LEU A 57 10.085 -2.072 -6.475 1.00 63.04 H new ATOM 0 HD11 LEU A 57 10.215 -2.330 -4.038 1.00 74.12 H new ATOM 0 HD12 LEU A 57 9.479 -0.783 -4.521 1.00 74.12 H new ATOM 0 HD13 LEU A 57 8.453 -2.110 -3.926 1.00 74.12 H new ATOM 0 HD21 LEU A 57 9.960 -4.354 -5.463 1.00 30.01 H new ATOM 0 HD22 LEU A 57 8.183 -4.254 -5.491 1.00 30.01 H new ATOM 0 HD23 LEU A 57 9.099 -4.269 -7.018 1.00 30.01 H new ATOM 899 N VAL A 58 7.502 1.315 -8.552 1.00 32.31 N ATOM 900 CA VAL A 58 6.841 1.946 -9.712 1.00 25.20 C ATOM 901 C VAL A 58 7.926 2.554 -10.598 1.00 41.15 C ATOM 902 O VAL A 58 8.946 2.969 -10.076 1.00 11.33 O ATOM 903 CB VAL A 58 5.821 3.070 -9.247 1.00 24.12 C ATOM 904 CG1 VAL A 58 6.520 4.226 -8.478 1.00 70.14 C ATOM 905 CG2 VAL A 58 4.971 3.605 -10.428 1.00 24.44 C ATOM 0 H VAL A 58 8.380 1.766 -8.296 1.00 32.31 H new ATOM 0 HA VAL A 58 6.272 1.197 -10.262 1.00 25.20 H new ATOM 0 HB VAL A 58 5.138 2.592 -8.544 1.00 24.12 H new ATOM 0 HG11 VAL A 58 5.778 4.968 -8.183 1.00 70.14 H new ATOM 0 HG12 VAL A 58 7.009 3.828 -7.589 1.00 70.14 H new ATOM 0 HG13 VAL A 58 7.264 4.694 -9.122 1.00 70.14 H new ATOM 0 HG21 VAL A 58 4.287 4.372 -10.066 1.00 24.44 H new ATOM 0 HG22 VAL A 58 5.628 4.033 -11.185 1.00 24.44 H new ATOM 0 HG23 VAL A 58 4.400 2.786 -10.865 1.00 24.44 H new ATOM 915 N ASN A 59 7.742 2.608 -11.927 1.00 34.34 N ATOM 916 CA ASN A 59 8.701 3.339 -12.779 1.00 43.13 C ATOM 917 C ASN A 59 8.524 4.849 -12.537 1.00 72.45 C ATOM 918 O ASN A 59 7.406 5.301 -12.269 1.00 71.24 O ATOM 919 CB ASN A 59 8.593 2.934 -14.285 1.00 22.31 C ATOM 920 CG ASN A 59 7.281 3.274 -15.020 1.00 73.41 C ATOM 921 OD1 ASN A 59 6.594 4.249 -14.727 1.00 31.54 O ATOM 922 ND2 ASN A 59 6.941 2.471 -16.019 1.00 50.13 N ATOM 0 H ASN A 59 6.966 2.171 -12.424 1.00 34.34 H new ATOM 0 HA ASN A 59 9.718 3.063 -12.500 1.00 43.13 H new ATOM 0 HB2 ASN A 59 9.413 3.411 -14.822 1.00 22.31 H new ATOM 0 HB3 ASN A 59 8.749 1.858 -14.356 1.00 22.31 H new ATOM 0 HD21 ASN A 59 6.096 2.658 -16.559 1.00 50.13 H new ATOM 0 HD22 ASN A 59 7.524 1.666 -16.247 1.00 50.13 H new ATOM 929 N ASP A 60 9.625 5.614 -12.543 1.00 75.23 N ATOM 930 CA ASP A 60 9.581 7.068 -12.316 1.00 65.44 C ATOM 931 C ASP A 60 9.391 7.812 -13.631 1.00 4.24 C ATOM 932 O ASP A 60 9.424 7.227 -14.718 1.00 33.23 O ATOM 933 CB ASP A 60 10.859 7.583 -11.588 1.00 31.04 C ATOM 934 CG ASP A 60 12.130 7.571 -12.467 1.00 32.40 C ATOM 935 OD1 ASP A 60 12.600 6.469 -12.834 1.00 14.43 O ATOM 936 OD2 ASP A 60 12.665 8.661 -12.782 1.00 3.34 O ATOM 0 H ASP A 60 10.563 5.248 -12.704 1.00 75.23 H new ATOM 0 HA ASP A 60 8.727 7.266 -11.668 1.00 65.44 H new ATOM 0 HB2 ASP A 60 10.681 8.600 -11.238 1.00 31.04 H new ATOM 0 HB3 ASP A 60 11.034 6.969 -10.705 1.00 31.04 H new ATOM 941 N ASP A 61 9.166 9.108 -13.498 1.00 43.11 N ATOM 942 CA ASP A 61 9.057 10.033 -14.618 1.00 31.14 C ATOM 943 C ASP A 61 9.704 11.349 -14.193 1.00 14.00 C ATOM 944 O ASP A 61 9.862 11.604 -12.985 1.00 2.43 O ATOM 945 CB ASP A 61 7.567 10.229 -15.003 1.00 44.14 C ATOM 946 CG ASP A 61 7.362 10.866 -16.386 1.00 63.21 C ATOM 947 OD1 ASP A 61 7.423 10.134 -17.397 1.00 1.33 O ATOM 948 OD2 ASP A 61 7.147 12.089 -16.477 1.00 25.50 O ATOM 0 H ASP A 61 9.051 9.558 -12.590 1.00 43.11 H new ATOM 0 HA ASP A 61 9.566 9.643 -15.499 1.00 31.14 H new ATOM 0 HB2 ASP A 61 7.066 9.261 -14.981 1.00 44.14 H new ATOM 0 HB3 ASP A 61 7.086 10.854 -14.251 1.00 44.14 H new ATOM 953 N GLN A 62 10.061 12.180 -15.177 1.00 32.21 N ATOM 954 CA GLN A 62 10.569 13.537 -14.929 1.00 11.41 C ATOM 955 C GLN A 62 9.522 14.365 -14.149 1.00 23.31 C ATOM 956 O GLN A 62 9.869 15.172 -13.291 1.00 22.02 O ATOM 957 CB GLN A 62 10.930 14.221 -16.275 1.00 3.35 C ATOM 958 CG GLN A 62 12.035 13.498 -17.077 1.00 60.34 C ATOM 959 CD GLN A 62 12.340 14.167 -18.421 1.00 35.10 C ATOM 960 OE1 GLN A 62 13.215 15.029 -18.518 1.00 25.41 O ATOM 961 NE2 GLN A 62 11.612 13.788 -19.462 1.00 2.11 N ATOM 0 H GLN A 62 10.007 11.934 -16.165 1.00 32.21 H new ATOM 0 HA GLN A 62 11.472 13.476 -14.322 1.00 11.41 H new ATOM 0 HB2 GLN A 62 10.032 14.284 -16.890 1.00 3.35 H new ATOM 0 HB3 GLN A 62 11.251 15.243 -16.075 1.00 3.35 H new ATOM 0 HG2 GLN A 62 12.946 13.465 -16.480 1.00 60.34 H new ATOM 0 HG3 GLN A 62 11.731 12.466 -17.253 1.00 60.34 H new ATOM 0 HE21 GLN A 62 10.895 13.071 -19.349 1.00 2.11 H new ATOM 0 HE22 GLN A 62 11.769 14.213 -20.376 1.00 2.11 H new ATOM 970 N ARG A 63 8.238 14.100 -14.451 1.00 74.42 N ATOM 971 CA ARG A 63 7.090 14.766 -13.824 1.00 65.42 C ATOM 972 C ARG A 63 6.761 14.150 -12.444 1.00 41.11 C ATOM 973 O ARG A 63 6.277 14.860 -11.568 1.00 14.02 O ATOM 974 CB ARG A 63 5.861 14.676 -14.764 1.00 1.14 C ATOM 975 CG ARG A 63 4.654 15.526 -14.316 1.00 20.30 C ATOM 976 CD ARG A 63 3.421 15.349 -15.219 1.00 14.32 C ATOM 977 NE ARG A 63 3.707 15.609 -16.640 1.00 14.32 N ATOM 978 CZ ARG A 63 3.665 16.809 -17.251 1.00 53.02 C ATOM 979 NH1 ARG A 63 3.343 17.919 -16.582 1.00 34.01 N ATOM 980 NH2 ARG A 63 3.941 16.889 -18.548 1.00 21.34 N ATOM 0 H ARG A 63 7.969 13.406 -15.148 1.00 74.42 H new ATOM 0 HA ARG A 63 7.347 15.813 -13.661 1.00 65.42 H new ATOM 0 HB2 ARG A 63 6.160 14.990 -15.764 1.00 1.14 H new ATOM 0 HB3 ARG A 63 5.550 13.634 -14.836 1.00 1.14 H new ATOM 0 HG2 ARG A 63 4.389 15.259 -13.293 1.00 20.30 H new ATOM 0 HG3 ARG A 63 4.942 16.577 -14.306 1.00 20.30 H new ATOM 0 HD2 ARG A 63 3.041 14.333 -15.110 1.00 14.32 H new ATOM 0 HD3 ARG A 63 2.632 16.022 -14.884 1.00 14.32 H new ATOM 0 HE ARG A 63 3.961 14.806 -17.215 1.00 14.32 H new ATOM 0 HH11 ARG A 63 3.122 17.869 -15.587 1.00 34.01 H new ATOM 0 HH12 ARG A 63 3.318 18.817 -17.066 1.00 34.01 H new ATOM 0 HH21 ARG A 63 4.182 16.047 -19.071 1.00 21.34 H new ATOM 0 HH22 ARG A 63 3.912 17.792 -19.021 1.00 21.34 H new ATOM 994 N LEU A 64 7.033 12.825 -12.265 1.00 31.31 N ATOM 995 CA LEU A 64 6.731 12.097 -10.994 1.00 62.04 C ATOM 996 C LEU A 64 7.409 12.784 -9.787 1.00 74.33 C ATOM 997 O LEU A 64 6.848 12.846 -8.690 1.00 11.11 O ATOM 998 CB LEU A 64 7.210 10.611 -11.042 1.00 1.41 C ATOM 999 CG LEU A 64 6.856 9.733 -9.768 1.00 41.23 C ATOM 1000 CD1 LEU A 64 5.457 9.100 -9.861 1.00 21.23 C ATOM 1001 CD2 LEU A 64 7.918 8.657 -9.474 1.00 11.03 C ATOM 0 H LEU A 64 7.460 12.240 -12.983 1.00 31.31 H new ATOM 0 HA LEU A 64 5.647 12.120 -10.880 1.00 62.04 H new ATOM 0 HB2 LEU A 64 6.774 10.136 -11.921 1.00 1.41 H new ATOM 0 HB3 LEU A 64 8.291 10.601 -11.178 1.00 1.41 H new ATOM 0 HG LEU A 64 6.852 10.428 -8.929 1.00 41.23 H new ATOM 0 HD11 LEU A 64 5.264 8.510 -8.965 1.00 21.23 H new ATOM 0 HD12 LEU A 64 4.707 9.886 -9.946 1.00 21.23 H new ATOM 0 HD13 LEU A 64 5.407 8.455 -10.738 1.00 21.23 H new ATOM 0 HD21 LEU A 64 7.624 8.087 -8.593 1.00 11.03 H new ATOM 0 HD22 LEU A 64 8.002 7.986 -10.329 1.00 11.03 H new ATOM 0 HD23 LEU A 64 8.880 9.136 -9.292 1.00 11.03 H new ATOM 1013 N GLU A 65 8.628 13.300 -10.030 1.00 24.11 N ATOM 1014 CA GLU A 65 9.454 13.961 -9.005 1.00 32.22 C ATOM 1015 C GLU A 65 8.813 15.256 -8.486 1.00 21.33 C ATOM 1016 O GLU A 65 9.093 15.665 -7.370 1.00 22.53 O ATOM 1017 CB GLU A 65 10.883 14.205 -9.534 1.00 13.25 C ATOM 1018 CG GLU A 65 11.612 12.908 -9.941 1.00 1.12 C ATOM 1019 CD GLU A 65 13.093 13.127 -10.276 1.00 3.44 C ATOM 1020 OE1 GLU A 65 13.408 13.412 -11.451 1.00 43.23 O ATOM 1021 OE2 GLU A 65 13.946 13.047 -9.359 1.00 50.41 O ATOM 0 H GLU A 65 9.069 13.269 -10.949 1.00 24.11 H new ATOM 0 HA GLU A 65 9.518 13.287 -8.151 1.00 32.22 H new ATOM 0 HB2 GLU A 65 10.836 14.872 -10.395 1.00 13.25 H new ATOM 0 HB3 GLU A 65 11.465 14.715 -8.767 1.00 13.25 H new ATOM 0 HG2 GLU A 65 11.533 12.184 -9.130 1.00 1.12 H new ATOM 0 HG3 GLU A 65 11.111 12.473 -10.806 1.00 1.12 H new ATOM 1028 N GLN A 66 7.977 15.901 -9.318 1.00 14.22 N ATOM 1029 CA GLN A 66 7.179 17.084 -8.906 1.00 13.13 C ATOM 1030 C GLN A 66 6.123 16.685 -7.853 1.00 23.32 C ATOM 1031 O GLN A 66 5.873 17.434 -6.897 1.00 11.44 O ATOM 1032 CB GLN A 66 6.493 17.746 -10.134 1.00 61.42 C ATOM 1033 CG GLN A 66 7.470 18.191 -11.243 1.00 14.41 C ATOM 1034 CD GLN A 66 8.499 19.253 -10.806 1.00 71.52 C ATOM 1035 OE1 GLN A 66 8.240 20.086 -9.936 1.00 2.31 O ATOM 1036 NE2 GLN A 66 9.669 19.246 -11.421 1.00 63.02 N ATOM 0 H GLN A 66 7.831 15.625 -10.289 1.00 14.22 H new ATOM 0 HA GLN A 66 7.858 17.811 -8.461 1.00 13.13 H new ATOM 0 HB2 GLN A 66 5.776 17.043 -10.558 1.00 61.42 H new ATOM 0 HB3 GLN A 66 5.926 18.613 -9.795 1.00 61.42 H new ATOM 0 HG2 GLN A 66 8.005 17.315 -11.610 1.00 14.41 H new ATOM 0 HG3 GLN A 66 6.893 18.586 -12.080 1.00 14.41 H new ATOM 0 HE21 GLN A 66 9.864 18.548 -12.139 1.00 63.02 H new ATOM 0 HE22 GLN A 66 10.377 19.939 -11.178 1.00 63.02 H new ATOM 1045 N MET A 67 5.512 15.490 -8.045 1.00 63.15 N ATOM 1046 CA MET A 67 4.577 14.891 -7.061 1.00 71.21 C ATOM 1047 C MET A 67 5.319 14.556 -5.751 1.00 5.14 C ATOM 1048 O MET A 67 4.765 14.729 -4.664 1.00 32.44 O ATOM 1049 CB MET A 67 3.888 13.605 -7.619 1.00 60.53 C ATOM 1050 CG MET A 67 2.909 13.826 -8.782 1.00 53.45 C ATOM 1051 SD MET A 67 3.721 14.372 -10.295 1.00 21.45 S ATOM 1052 CE MET A 67 2.336 14.471 -11.428 1.00 23.34 C ATOM 0 H MET A 67 5.652 14.919 -8.878 1.00 63.15 H new ATOM 0 HA MET A 67 3.800 15.629 -6.863 1.00 71.21 H new ATOM 0 HB2 MET A 67 4.663 12.913 -7.947 1.00 60.53 H new ATOM 0 HB3 MET A 67 3.352 13.119 -6.804 1.00 60.53 H new ATOM 0 HG2 MET A 67 2.373 12.898 -8.979 1.00 53.45 H new ATOM 0 HG3 MET A 67 2.166 14.567 -8.488 1.00 53.45 H new ATOM 0 HE1 MET A 67 2.617 14.031 -12.385 1.00 23.34 H new ATOM 0 HE2 MET A 67 1.487 13.927 -11.014 1.00 23.34 H new ATOM 0 HE3 MET A 67 2.061 15.515 -11.576 1.00 23.34 H new ATOM 1062 N ILE A 68 6.576 14.077 -5.888 1.00 52.35 N ATOM 1063 CA ILE A 68 7.465 13.749 -4.746 1.00 54.13 C ATOM 1064 C ILE A 68 7.851 15.041 -3.975 1.00 35.23 C ATOM 1065 O ILE A 68 7.860 15.064 -2.735 1.00 14.53 O ATOM 1066 CB ILE A 68 8.764 12.979 -5.226 1.00 51.34 C ATOM 1067 CG1 ILE A 68 8.387 11.674 -6.009 1.00 42.13 C ATOM 1068 CG2 ILE A 68 9.711 12.652 -4.035 1.00 1.22 C ATOM 1069 CD1 ILE A 68 9.571 10.939 -6.630 1.00 40.15 C ATOM 0 H ILE A 68 7.006 13.906 -6.797 1.00 52.35 H new ATOM 0 HA ILE A 68 6.918 13.088 -4.074 1.00 54.13 H new ATOM 0 HB ILE A 68 9.302 13.642 -5.904 1.00 51.34 H new ATOM 0 HG12 ILE A 68 7.871 10.995 -5.330 1.00 42.13 H new ATOM 0 HG13 ILE A 68 7.682 11.932 -6.799 1.00 42.13 H new ATOM 0 HG21 ILE A 68 10.590 12.124 -4.404 1.00 1.22 H new ATOM 0 HG22 ILE A 68 10.020 13.578 -3.551 1.00 1.22 H new ATOM 0 HG23 ILE A 68 9.186 12.024 -3.315 1.00 1.22 H new ATOM 0 HD11 ILE A 68 9.215 10.050 -7.151 1.00 40.15 H new ATOM 0 HD12 ILE A 68 10.076 11.596 -7.338 1.00 40.15 H new ATOM 0 HD13 ILE A 68 10.269 10.645 -5.846 1.00 40.15 H new ATOM 1081 N SER A 69 8.114 16.119 -4.739 1.00 11.21 N ATOM 1082 CA SER A 69 8.498 17.437 -4.196 1.00 53.02 C ATOM 1083 C SER A 69 7.321 18.113 -3.468 1.00 52.42 C ATOM 1084 O SER A 69 7.534 18.964 -2.603 1.00 1.31 O ATOM 1085 CB SER A 69 9.030 18.353 -5.320 1.00 25.41 C ATOM 1086 OG SER A 69 10.189 17.803 -5.935 1.00 1.20 O ATOM 0 H SER A 69 8.066 16.100 -5.758 1.00 11.21 H new ATOM 0 HA SER A 69 9.293 17.274 -3.468 1.00 53.02 H new ATOM 0 HB2 SER A 69 8.253 18.499 -6.070 1.00 25.41 H new ATOM 0 HB3 SER A 69 9.266 19.335 -4.910 1.00 25.41 H new ATOM 0 HG SER A 69 9.935 17.028 -6.478 1.00 1.20 H new ATOM 1092 N GLN A 70 6.085 17.776 -3.866 1.00 21.22 N ATOM 1093 CA GLN A 70 4.874 18.329 -3.241 1.00 60.31 C ATOM 1094 C GLN A 70 4.515 17.517 -1.982 1.00 72.31 C ATOM 1095 O GLN A 70 4.200 18.098 -0.933 1.00 72.33 O ATOM 1096 CB GLN A 70 3.704 18.329 -4.281 1.00 64.11 C ATOM 1097 CG GLN A 70 2.398 19.073 -3.866 1.00 53.34 C ATOM 1098 CD GLN A 70 1.481 18.319 -2.884 1.00 51.11 C ATOM 1099 OE1 GLN A 70 0.797 18.930 -2.066 1.00 1.23 O ATOM 1100 NE2 GLN A 70 1.426 16.995 -2.983 1.00 12.24 N ATOM 0 H GLN A 70 5.897 17.119 -4.623 1.00 21.22 H new ATOM 0 HA GLN A 70 5.053 19.358 -2.931 1.00 60.31 H new ATOM 0 HB2 GLN A 70 4.071 18.775 -5.206 1.00 64.11 H new ATOM 0 HB3 GLN A 70 3.449 17.293 -4.506 1.00 64.11 H new ATOM 0 HG2 GLN A 70 2.673 20.028 -3.417 1.00 53.34 H new ATOM 0 HG3 GLN A 70 1.828 19.297 -4.767 1.00 53.34 H new ATOM 0 HE21 GLN A 70 2.004 16.511 -3.670 1.00 12.24 H new ATOM 0 HE22 GLN A 70 0.806 16.463 -2.372 1.00 12.24 H new ATOM 1109 N ILE A 71 4.574 16.169 -2.098 1.00 74.40 N ATOM 1110 CA ILE A 71 4.079 15.254 -1.048 1.00 31.42 C ATOM 1111 C ILE A 71 4.897 15.380 0.246 1.00 31.20 C ATOM 1112 O ILE A 71 4.321 15.459 1.322 1.00 62.23 O ATOM 1113 CB ILE A 71 4.039 13.737 -1.504 1.00 20.04 C ATOM 1114 CG1 ILE A 71 3.306 12.847 -0.442 1.00 43.23 C ATOM 1115 CG2 ILE A 71 5.445 13.171 -1.807 1.00 50.23 C ATOM 1116 CD1 ILE A 71 3.331 11.360 -0.741 1.00 61.12 C ATOM 0 H ILE A 71 4.961 15.692 -2.912 1.00 74.40 H new ATOM 0 HA ILE A 71 3.052 15.566 -0.858 1.00 31.42 H new ATOM 0 HB ILE A 71 3.473 13.709 -2.435 1.00 20.04 H new ATOM 0 HG12 ILE A 71 3.763 13.016 0.533 1.00 43.23 H new ATOM 0 HG13 ILE A 71 2.268 13.172 -0.368 1.00 43.23 H new ATOM 0 HG21 ILE A 71 5.359 12.129 -2.115 1.00 50.23 H new ATOM 0 HG22 ILE A 71 5.905 13.749 -2.608 1.00 50.23 H new ATOM 0 HG23 ILE A 71 6.064 13.235 -0.912 1.00 50.23 H new ATOM 0 HD11 ILE A 71 2.801 10.822 0.045 1.00 61.12 H new ATOM 0 HD12 ILE A 71 2.846 11.173 -1.699 1.00 61.12 H new ATOM 0 HD13 ILE A 71 4.364 11.015 -0.784 1.00 61.12 H new ATOM 1128 N ASP A 72 6.239 15.456 0.128 1.00 32.51 N ATOM 1129 CA ASP A 72 7.138 15.412 1.305 1.00 32.11 C ATOM 1130 C ASP A 72 6.891 16.598 2.257 1.00 5.51 C ATOM 1131 O ASP A 72 7.132 16.493 3.458 1.00 53.35 O ATOM 1132 CB ASP A 72 8.618 15.345 0.867 1.00 64.41 C ATOM 1133 CG ASP A 72 9.170 16.682 0.334 1.00 44.13 C ATOM 1134 OD1 ASP A 72 8.905 17.011 -0.834 1.00 62.11 O ATOM 1135 OD2 ASP A 72 9.853 17.415 1.089 1.00 70.30 O ATOM 0 H ASP A 72 6.724 15.548 -0.765 1.00 32.51 H new ATOM 0 HA ASP A 72 6.908 14.502 1.859 1.00 32.11 H new ATOM 0 HB2 ASP A 72 9.224 15.024 1.714 1.00 64.41 H new ATOM 0 HB3 ASP A 72 8.724 14.584 0.093 1.00 64.41 H new ATOM 1140 N LYS A 73 6.397 17.719 1.681 1.00 1.44 N ATOM 1141 CA LYS A 73 6.088 18.963 2.414 1.00 11.05 C ATOM 1142 C LYS A 73 4.955 18.770 3.446 1.00 13.53 C ATOM 1143 O LYS A 73 4.841 19.546 4.400 1.00 2.20 O ATOM 1144 CB LYS A 73 5.699 20.077 1.401 1.00 0.00 C ATOM 1145 CG LYS A 73 6.744 20.337 0.296 1.00 62.35 C ATOM 1146 CD LYS A 73 8.084 20.870 0.843 1.00 3.15 C ATOM 1147 CE LYS A 73 9.138 21.032 -0.259 1.00 52.21 C ATOM 1148 NZ LYS A 73 9.588 19.726 -0.796 1.00 13.14 N ATOM 0 H LYS A 73 6.201 17.783 0.682 1.00 1.44 H new ATOM 0 HA LYS A 73 6.981 19.253 2.967 1.00 11.05 H new ATOM 0 HB2 LYS A 73 4.753 19.808 0.931 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.531 21.004 1.948 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.924 19.411 -0.250 1.00 62.35 H new ATOM 0 HG3 LYS A 73 6.339 21.054 -0.417 1.00 62.35 H new ATOM 0 HD2 LYS A 73 7.919 21.831 1.329 1.00 3.15 H new ATOM 0 HD3 LYS A 73 8.460 20.188 1.605 1.00 3.15 H new ATOM 0 HE2 LYS A 73 8.726 21.634 -1.069 1.00 52.21 H new ATOM 0 HE3 LYS A 73 9.996 21.576 0.137 1.00 52.21 H new ATOM 0 HZ1 LYS A 73 10.434 19.865 -1.384 1.00 13.14 H new ATOM 0 HZ2 LYS A 73 9.815 19.086 -0.008 1.00 13.14 H new ATOM 0 HZ3 LYS A 73 8.830 19.308 -1.373 1.00 13.14 H new ATOM 1162 N LEU A 74 4.112 17.738 3.238 1.00 51.55 N ATOM 1163 CA LEU A 74 3.007 17.406 4.160 1.00 35.11 C ATOM 1164 C LEU A 74 3.562 16.638 5.385 1.00 52.13 C ATOM 1165 O LEU A 74 4.549 15.898 5.271 1.00 33.21 O ATOM 1166 CB LEU A 74 1.839 16.657 3.390 1.00 40.05 C ATOM 1167 CG LEU A 74 1.461 15.176 3.778 1.00 13.43 C ATOM 1168 CD1 LEU A 74 0.078 14.801 3.204 1.00 42.23 C ATOM 1169 CD2 LEU A 74 2.508 14.151 3.295 1.00 1.32 C ATOM 0 H LEU A 74 4.177 17.116 2.432 1.00 51.55 H new ATOM 0 HA LEU A 74 2.553 18.317 4.550 1.00 35.11 H new ATOM 0 HB2 LEU A 74 0.938 17.261 3.501 1.00 40.05 H new ATOM 0 HB3 LEU A 74 2.096 16.659 2.331 1.00 40.05 H new ATOM 0 HG LEU A 74 1.435 15.139 4.867 1.00 13.43 H new ATOM 0 HD11 LEU A 74 -0.165 13.776 3.482 1.00 42.23 H new ATOM 0 HD12 LEU A 74 -0.678 15.475 3.606 1.00 42.23 H new ATOM 0 HD13 LEU A 74 0.100 14.887 2.118 1.00 42.23 H new ATOM 0 HD21 LEU A 74 2.198 13.148 3.589 1.00 1.32 H new ATOM 0 HD22 LEU A 74 2.593 14.201 2.209 1.00 1.32 H new ATOM 0 HD23 LEU A 74 3.474 14.378 3.745 1.00 1.32 H new ATOM 1181 N GLU A 75 2.904 16.823 6.542 1.00 3.24 N ATOM 1182 CA GLU A 75 3.405 16.370 7.864 1.00 53.24 C ATOM 1183 C GLU A 75 3.321 14.841 8.059 1.00 42.42 C ATOM 1184 O GLU A 75 3.848 14.315 9.049 1.00 74.52 O ATOM 1185 CB GLU A 75 2.623 17.102 8.986 1.00 51.52 C ATOM 1186 CG GLU A 75 2.734 18.646 8.947 1.00 0.31 C ATOM 1187 CD GLU A 75 1.902 19.386 10.017 1.00 50.34 C ATOM 1188 OE1 GLU A 75 1.262 18.737 10.877 1.00 2.33 O ATOM 1189 OE2 GLU A 75 1.886 20.636 9.997 1.00 11.40 O ATOM 0 H GLU A 75 2.001 17.295 6.593 1.00 3.24 H new ATOM 0 HA GLU A 75 4.464 16.622 7.912 1.00 53.24 H new ATOM 0 HB2 GLU A 75 1.571 16.825 8.918 1.00 51.52 H new ATOM 0 HB3 GLU A 75 2.984 16.749 9.952 1.00 51.52 H new ATOM 0 HG2 GLU A 75 3.781 18.923 9.066 1.00 0.31 H new ATOM 0 HG3 GLU A 75 2.423 18.993 7.962 1.00 0.31 H new ATOM 1196 N ASP A 76 2.652 14.138 7.126 1.00 5.10 N ATOM 1197 CA ASP A 76 2.561 12.666 7.150 1.00 22.35 C ATOM 1198 C ASP A 76 3.930 12.054 6.822 1.00 2.12 C ATOM 1199 O ASP A 76 4.456 11.244 7.594 1.00 73.03 O ATOM 1200 CB ASP A 76 1.482 12.144 6.153 1.00 40.34 C ATOM 1201 CG ASP A 76 0.038 12.626 6.399 1.00 1.43 C ATOM 1202 OD1 ASP A 76 -0.222 13.344 7.386 1.00 25.42 O ATOM 1203 OD2 ASP A 76 -0.857 12.269 5.590 1.00 70.24 O ATOM 0 H ASP A 76 2.164 14.569 6.341 1.00 5.10 H new ATOM 0 HA ASP A 76 2.260 12.361 8.152 1.00 22.35 H new ATOM 0 HB2 ASP A 76 1.775 12.439 5.146 1.00 40.34 H new ATOM 0 HB3 ASP A 76 1.489 11.054 6.180 1.00 40.34 H new ATOM 1208 N VAL A 77 4.505 12.492 5.686 1.00 34.03 N ATOM 1209 CA VAL A 77 5.829 12.057 5.228 1.00 22.21 C ATOM 1210 C VAL A 77 6.917 12.765 6.056 1.00 25.14 C ATOM 1211 O VAL A 77 7.151 13.966 5.898 1.00 22.40 O ATOM 1212 CB VAL A 77 6.020 12.331 3.680 1.00 32.32 C ATOM 1213 CG1 VAL A 77 7.481 12.126 3.225 1.00 1.34 C ATOM 1214 CG2 VAL A 77 5.079 11.440 2.841 1.00 55.22 C ATOM 0 H VAL A 77 4.058 13.161 5.060 1.00 34.03 H new ATOM 0 HA VAL A 77 5.916 10.981 5.376 1.00 22.21 H new ATOM 0 HB VAL A 77 5.764 13.378 3.515 1.00 32.32 H new ATOM 0 HG11 VAL A 77 7.561 12.326 2.156 1.00 1.34 H new ATOM 0 HG12 VAL A 77 8.131 12.809 3.771 1.00 1.34 H new ATOM 0 HG13 VAL A 77 7.784 11.098 3.426 1.00 1.34 H new ATOM 0 HG21 VAL A 77 5.230 11.648 1.782 1.00 55.22 H new ATOM 0 HG22 VAL A 77 5.298 10.391 3.040 1.00 55.22 H new ATOM 0 HG23 VAL A 77 4.044 11.651 3.108 1.00 55.22 H new ATOM 1224 N VAL A 78 7.531 12.001 6.972 1.00 2.31 N ATOM 1225 CA VAL A 78 8.658 12.460 7.806 1.00 31.02 C ATOM 1226 C VAL A 78 9.929 12.563 6.934 1.00 10.24 C ATOM 1227 O VAL A 78 10.649 13.565 6.956 1.00 12.30 O ATOM 1228 CB VAL A 78 8.924 11.469 9.011 1.00 13.40 C ATOM 1229 CG1 VAL A 78 9.931 12.060 10.027 1.00 33.35 C ATOM 1230 CG2 VAL A 78 7.601 11.053 9.703 1.00 10.10 C ATOM 0 H VAL A 78 7.258 11.036 7.158 1.00 2.31 H new ATOM 0 HA VAL A 78 8.404 13.436 8.219 1.00 31.02 H new ATOM 0 HB VAL A 78 9.376 10.568 8.595 1.00 13.40 H new ATOM 0 HG11 VAL A 78 10.087 11.350 10.839 1.00 33.35 H new ATOM 0 HG12 VAL A 78 10.880 12.255 9.527 1.00 33.35 H new ATOM 0 HG13 VAL A 78 9.536 12.992 10.431 1.00 33.35 H new ATOM 0 HG21 VAL A 78 7.819 10.372 10.526 1.00 10.10 H new ATOM 0 HG22 VAL A 78 7.098 11.940 10.089 1.00 10.10 H new ATOM 0 HG23 VAL A 78 6.954 10.554 8.981 1.00 10.10 H new ATOM 1240 N LYS A 79 10.169 11.485 6.167 1.00 24.34 N ATOM 1241 CA LYS A 79 11.314 11.342 5.243 1.00 52.21 C ATOM 1242 C LYS A 79 10.818 10.754 3.918 1.00 72.33 C ATOM 1243 O LYS A 79 9.827 10.029 3.898 1.00 53.34 O ATOM 1244 CB LYS A 79 12.410 10.405 5.832 1.00 40.11 C ATOM 1245 CG LYS A 79 13.019 10.868 7.170 1.00 75.42 C ATOM 1246 CD LYS A 79 14.137 9.926 7.689 1.00 74.30 C ATOM 1247 CE LYS A 79 14.733 10.395 9.028 1.00 63.45 C ATOM 1248 NZ LYS A 79 15.308 11.765 8.948 1.00 10.11 N ATOM 0 H LYS A 79 9.559 10.668 6.171 1.00 24.34 H new ATOM 0 HA LYS A 79 11.752 12.328 5.089 1.00 52.21 H new ATOM 0 HB2 LYS A 79 11.981 9.413 5.970 1.00 40.11 H new ATOM 0 HB3 LYS A 79 13.212 10.306 5.101 1.00 40.11 H new ATOM 0 HG2 LYS A 79 13.426 11.872 7.049 1.00 75.42 H new ATOM 0 HG3 LYS A 79 12.229 10.932 7.919 1.00 75.42 H new ATOM 0 HD2 LYS A 79 13.733 8.920 7.808 1.00 74.30 H new ATOM 0 HD3 LYS A 79 14.930 9.865 6.944 1.00 74.30 H new ATOM 0 HE2 LYS A 79 13.958 10.374 9.794 1.00 63.45 H new ATOM 0 HE3 LYS A 79 15.509 9.697 9.341 1.00 63.45 H new ATOM 0 HZ1 LYS A 79 15.814 11.981 9.830 1.00 10.11 H new ATOM 0 HZ2 LYS A 79 15.970 11.818 8.147 1.00 10.11 H new ATOM 0 HZ3 LYS A 79 14.542 12.455 8.810 1.00 10.11 H new ATOM 1262 N VAL A 80 11.512 11.068 2.819 1.00 0.23 N ATOM 1263 CA VAL A 80 11.200 10.520 1.479 1.00 2.34 C ATOM 1264 C VAL A 80 12.510 10.178 0.748 1.00 45.55 C ATOM 1265 O VAL A 80 13.533 10.858 0.931 1.00 10.34 O ATOM 1266 CB VAL A 80 10.321 11.513 0.618 1.00 71.43 C ATOM 1267 CG1 VAL A 80 11.088 12.805 0.251 1.00 32.43 C ATOM 1268 CG2 VAL A 80 9.725 10.814 -0.637 1.00 13.43 C ATOM 0 H VAL A 80 12.306 11.708 2.825 1.00 0.23 H new ATOM 0 HA VAL A 80 10.609 9.614 1.613 1.00 2.34 H new ATOM 0 HB VAL A 80 9.482 11.817 1.245 1.00 71.43 H new ATOM 0 HG11 VAL A 80 10.443 13.455 -0.340 1.00 32.43 H new ATOM 0 HG12 VAL A 80 11.387 13.322 1.163 1.00 32.43 H new ATOM 0 HG13 VAL A 80 11.975 12.549 -0.329 1.00 32.43 H new ATOM 0 HG21 VAL A 80 9.128 11.529 -1.202 1.00 13.43 H new ATOM 0 HG22 VAL A 80 10.534 10.441 -1.264 1.00 13.43 H new ATOM 0 HG23 VAL A 80 9.095 9.981 -0.325 1.00 13.43 H new ATOM 1278 N GLN A 81 12.477 9.097 -0.042 1.00 5.43 N ATOM 1279 CA GLN A 81 13.618 8.653 -0.850 1.00 10.24 C ATOM 1280 C GLN A 81 13.094 7.926 -2.103 1.00 43.33 C ATOM 1281 O GLN A 81 12.046 7.280 -2.051 1.00 53.40 O ATOM 1282 CB GLN A 81 14.521 7.728 0.017 1.00 60.03 C ATOM 1283 CG GLN A 81 15.825 7.251 -0.653 1.00 65.21 C ATOM 1284 CD GLN A 81 16.716 6.378 0.250 1.00 23.02 C ATOM 1285 OE1 GLN A 81 17.941 6.412 0.148 1.00 64.42 O ATOM 1286 NE2 GLN A 81 16.122 5.575 1.126 1.00 74.20 N ATOM 0 H GLN A 81 11.653 8.503 -0.138 1.00 5.43 H new ATOM 0 HA GLN A 81 14.217 9.503 -1.178 1.00 10.24 H new ATOM 0 HB2 GLN A 81 14.778 8.258 0.934 1.00 60.03 H new ATOM 0 HB3 GLN A 81 13.941 6.852 0.306 1.00 60.03 H new ATOM 0 HG2 GLN A 81 15.574 6.687 -1.551 1.00 65.21 H new ATOM 0 HG3 GLN A 81 16.395 8.123 -0.974 1.00 65.21 H new ATOM 0 HE21 GLN A 81 15.105 5.561 1.196 1.00 74.20 H new ATOM 0 HE22 GLN A 81 16.683 4.973 1.728 1.00 74.20 H new ATOM 1295 N ARG A 82 13.807 8.063 -3.233 1.00 54.40 N ATOM 1296 CA ARG A 82 13.517 7.313 -4.465 1.00 41.22 C ATOM 1297 C ARG A 82 14.855 6.888 -5.103 1.00 55.33 C ATOM 1298 O ARG A 82 15.763 7.716 -5.274 1.00 44.24 O ATOM 1299 CB ARG A 82 12.604 8.149 -5.436 1.00 53.44 C ATOM 1300 CG ARG A 82 13.193 9.481 -5.996 1.00 65.32 C ATOM 1301 CD ARG A 82 13.941 9.313 -7.343 1.00 53.32 C ATOM 1302 NE ARG A 82 14.615 10.554 -7.763 1.00 64.04 N ATOM 1303 CZ ARG A 82 15.932 10.810 -7.644 1.00 51.11 C ATOM 1304 NH1 ARG A 82 16.767 9.924 -7.103 1.00 34.00 N ATOM 1305 NH2 ARG A 82 16.400 11.972 -8.067 1.00 41.41 N ATOM 0 H ARG A 82 14.601 8.697 -3.318 1.00 54.40 H new ATOM 0 HA ARG A 82 12.947 6.412 -4.237 1.00 41.22 H new ATOM 0 HB2 ARG A 82 12.340 7.514 -6.282 1.00 53.44 H new ATOM 0 HB3 ARG A 82 11.678 8.383 -4.911 1.00 53.44 H new ATOM 0 HG2 ARG A 82 12.384 10.199 -6.127 1.00 65.32 H new ATOM 0 HG3 ARG A 82 13.878 9.903 -5.260 1.00 65.32 H new ATOM 0 HD2 ARG A 82 14.677 8.515 -7.251 1.00 53.32 H new ATOM 0 HD3 ARG A 82 13.234 9.007 -8.114 1.00 53.32 H new ATOM 0 HE ARG A 82 14.034 11.282 -8.180 1.00 64.04 H new ATOM 0 HH11 ARG A 82 16.413 9.028 -6.768 1.00 34.00 H new ATOM 0 HH12 ARG A 82 17.760 10.142 -7.024 1.00 34.00 H new ATOM 0 HH21 ARG A 82 15.766 12.659 -8.476 1.00 41.41 H new ATOM 0 HH22 ARG A 82 17.395 12.182 -7.984 1.00 41.41 H new ATOM 1319 N ASN A 83 14.980 5.588 -5.403 1.00 32.34 N ATOM 1320 CA ASN A 83 16.202 4.980 -5.967 1.00 62.01 C ATOM 1321 C ASN A 83 15.799 3.834 -6.888 1.00 55.20 C ATOM 1322 O ASN A 83 15.215 2.867 -6.416 1.00 2.11 O ATOM 1323 CB ASN A 83 17.122 4.428 -4.834 1.00 64.24 C ATOM 1324 CG ASN A 83 17.966 5.504 -4.148 1.00 15.45 C ATOM 1325 OD1 ASN A 83 17.573 6.071 -3.132 1.00 44.11 O ATOM 1326 ND2 ASN A 83 19.133 5.803 -4.701 1.00 42.12 N ATOM 0 H ASN A 83 14.226 4.916 -5.260 1.00 32.34 H new ATOM 0 HA ASN A 83 16.753 5.741 -6.520 1.00 62.01 H new ATOM 0 HB2 ASN A 83 16.504 3.932 -4.086 1.00 64.24 H new ATOM 0 HB3 ASN A 83 17.785 3.671 -5.253 1.00 64.24 H new ATOM 0 HD21 ASN A 83 19.727 6.519 -4.282 1.00 42.12 H new ATOM 0 HD22 ASN A 83 19.437 5.317 -5.545 1.00 42.12 H new ATOM 1333 N GLN A 84 16.171 3.904 -8.173 1.00 55.43 N ATOM 1334 CA GLN A 84 15.812 2.859 -9.148 1.00 21.42 C ATOM 1335 C GLN A 84 16.861 1.743 -9.058 1.00 64.10 C ATOM 1336 O GLN A 84 17.984 1.873 -9.541 1.00 3.40 O ATOM 1337 CB GLN A 84 15.637 3.407 -10.613 1.00 31.55 C ATOM 1338 CG GLN A 84 16.577 4.544 -11.074 1.00 41.43 C ATOM 1339 CD GLN A 84 16.153 5.933 -10.566 1.00 55.03 C ATOM 1340 OE1 GLN A 84 16.615 6.407 -9.528 1.00 73.41 O ATOM 1341 NE2 GLN A 84 15.237 6.571 -11.272 1.00 75.01 N ATOM 0 H GLN A 84 16.719 4.670 -8.563 1.00 55.43 H new ATOM 0 HA GLN A 84 14.829 2.462 -8.894 1.00 21.42 H new ATOM 0 HB2 GLN A 84 15.761 2.570 -11.301 1.00 31.55 H new ATOM 0 HB3 GLN A 84 14.610 3.757 -10.719 1.00 31.55 H new ATOM 0 HG2 GLN A 84 17.588 4.332 -10.727 1.00 41.43 H new ATOM 0 HG3 GLN A 84 16.610 4.559 -12.163 1.00 41.43 H new ATOM 0 HE21 GLN A 84 14.872 6.155 -12.128 1.00 75.01 H new ATOM 0 HE22 GLN A 84 14.895 7.480 -10.961 1.00 75.01 H new ATOM 1350 N SER A 85 16.474 0.682 -8.345 1.00 13.31 N ATOM 1351 CA SER A 85 17.333 -0.448 -7.991 1.00 3.12 C ATOM 1352 C SER A 85 16.514 -1.738 -8.117 1.00 72.04 C ATOM 1353 O SER A 85 15.319 -1.687 -8.460 1.00 50.15 O ATOM 1354 CB SER A 85 17.880 -0.247 -6.548 1.00 22.12 C ATOM 1355 OG SER A 85 18.841 -1.232 -6.196 1.00 21.13 O ATOM 0 H SER A 85 15.524 0.584 -7.987 1.00 13.31 H new ATOM 0 HA SER A 85 18.189 -0.515 -8.662 1.00 3.12 H new ATOM 0 HB2 SER A 85 18.330 0.742 -6.466 1.00 22.12 H new ATOM 0 HB3 SER A 85 17.052 -0.280 -5.840 1.00 22.12 H new ATOM 0 HG SER A 85 19.159 -1.067 -5.284 1.00 21.13 H new ATOM 1361 N ASP A 86 17.154 -2.882 -7.816 1.00 1.51 N ATOM 1362 CA ASP A 86 16.568 -4.214 -8.034 1.00 53.12 C ATOM 1363 C ASP A 86 15.330 -4.394 -7.124 1.00 13.43 C ATOM 1364 O ASP A 86 15.403 -4.072 -5.934 1.00 1.43 O ATOM 1365 CB ASP A 86 17.628 -5.315 -7.750 1.00 1.30 C ATOM 1366 CG ASP A 86 17.267 -6.684 -8.358 1.00 3.40 C ATOM 1367 OD1 ASP A 86 16.289 -7.312 -7.908 1.00 2.21 O ATOM 1368 OD2 ASP A 86 17.978 -7.149 -9.285 1.00 44.44 O ATOM 0 H ASP A 86 18.092 -2.908 -7.415 1.00 1.51 H new ATOM 0 HA ASP A 86 16.252 -4.305 -9.073 1.00 53.12 H new ATOM 0 HB2 ASP A 86 18.591 -4.993 -8.146 1.00 1.30 H new ATOM 0 HB3 ASP A 86 17.747 -5.425 -6.672 1.00 1.30 H new ATOM 1373 N PRO A 87 14.167 -4.885 -7.677 1.00 14.55 N ATOM 1374 CA PRO A 87 12.915 -5.088 -6.900 1.00 12.45 C ATOM 1375 C PRO A 87 13.081 -5.967 -5.629 1.00 64.33 C ATOM 1376 O PRO A 87 12.312 -5.802 -4.685 1.00 44.24 O ATOM 1377 CB PRO A 87 11.933 -5.725 -7.934 1.00 4.43 C ATOM 1378 CG PRO A 87 12.795 -6.176 -9.078 1.00 53.51 C ATOM 1379 CD PRO A 87 13.958 -5.222 -9.110 1.00 54.21 C ATOM 0 HA PRO A 87 12.555 -4.146 -6.487 1.00 12.45 H new ATOM 0 HB2 PRO A 87 11.391 -6.563 -7.496 1.00 4.43 H new ATOM 0 HB3 PRO A 87 11.188 -5.002 -8.265 1.00 4.43 H new ATOM 0 HG2 PRO A 87 13.134 -7.202 -8.933 1.00 53.51 H new ATOM 0 HG3 PRO A 87 12.243 -6.153 -10.018 1.00 53.51 H new ATOM 0 HD2 PRO A 87 14.844 -5.683 -9.548 1.00 54.21 H new ATOM 0 HD3 PRO A 87 13.734 -4.335 -9.703 1.00 54.21 H new ATOM 1387 N THR A 88 14.130 -6.842 -5.581 1.00 34.21 N ATOM 1388 CA THR A 88 14.411 -7.737 -4.416 1.00 32.44 C ATOM 1389 C THR A 88 14.708 -6.968 -3.106 1.00 51.31 C ATOM 1390 O THR A 88 14.854 -7.592 -2.046 1.00 34.14 O ATOM 1391 CB THR A 88 15.603 -8.712 -4.713 1.00 54.22 C ATOM 1392 OG1 THR A 88 16.757 -7.960 -5.117 1.00 63.10 O ATOM 1393 CG2 THR A 88 15.263 -9.756 -5.795 1.00 44.50 C ATOM 0 H THR A 88 14.800 -6.946 -6.343 1.00 34.21 H new ATOM 0 HA THR A 88 13.493 -8.306 -4.270 1.00 32.44 H new ATOM 0 HB THR A 88 15.808 -9.256 -3.791 1.00 54.22 H new ATOM 0 HG1 THR A 88 16.647 -7.665 -6.045 1.00 63.10 H new ATOM 0 HG21 THR A 88 16.124 -10.403 -5.959 1.00 44.50 H new ATOM 0 HG22 THR A 88 14.415 -10.357 -5.467 1.00 44.50 H new ATOM 0 HG23 THR A 88 15.009 -9.247 -6.725 1.00 44.50 H new ATOM 1401 N MET A 89 14.820 -5.625 -3.198 1.00 44.14 N ATOM 1402 CA MET A 89 14.859 -4.731 -2.031 1.00 50.04 C ATOM 1403 C MET A 89 13.667 -5.004 -1.082 1.00 74.22 C ATOM 1404 O MET A 89 13.878 -5.183 0.128 1.00 11.33 O ATOM 1405 CB MET A 89 14.859 -3.249 -2.490 1.00 12.21 C ATOM 1406 CG MET A 89 14.840 -2.224 -1.341 1.00 23.22 C ATOM 1407 SD MET A 89 16.253 -2.387 -0.229 1.00 3.54 S ATOM 1408 CE MET A 89 15.908 -1.120 0.997 1.00 72.05 C ATOM 0 H MET A 89 14.886 -5.133 -4.089 1.00 44.14 H new ATOM 0 HA MET A 89 15.779 -4.928 -1.481 1.00 50.04 H new ATOM 0 HB2 MET A 89 15.743 -3.072 -3.103 1.00 12.21 H new ATOM 0 HB3 MET A 89 13.990 -3.079 -3.126 1.00 12.21 H new ATOM 0 HG2 MET A 89 14.828 -1.217 -1.759 1.00 23.22 H new ATOM 0 HG3 MET A 89 13.919 -2.343 -0.770 1.00 23.22 H new ATOM 0 HE1 MET A 89 16.785 -0.976 1.628 1.00 72.05 H new ATOM 0 HE2 MET A 89 15.665 -0.184 0.494 1.00 72.05 H new ATOM 0 HE3 MET A 89 15.065 -1.431 1.614 1.00 72.05 H new ATOM 1418 N PHE A 90 12.421 -5.089 -1.660 1.00 64.13 N ATOM 1419 CA PHE A 90 11.173 -5.268 -0.866 1.00 35.21 C ATOM 1420 C PHE A 90 11.263 -6.568 -0.037 1.00 14.42 C ATOM 1421 O PHE A 90 10.921 -6.585 1.144 1.00 54.33 O ATOM 1422 CB PHE A 90 9.860 -5.230 -1.757 1.00 73.24 C ATOM 1423 CG PHE A 90 9.355 -6.579 -2.333 1.00 54.03 C ATOM 1424 CD1 PHE A 90 8.460 -7.391 -1.605 1.00 45.11 C ATOM 1425 CD2 PHE A 90 9.776 -7.046 -3.579 1.00 25.31 C ATOM 1426 CE1 PHE A 90 8.021 -8.608 -2.110 1.00 43.34 C ATOM 1427 CE2 PHE A 90 9.331 -8.260 -4.080 1.00 0.21 C ATOM 1428 CZ PHE A 90 8.460 -9.042 -3.344 1.00 73.41 C ATOM 0 H PHE A 90 12.265 -5.036 -2.667 1.00 64.13 H new ATOM 0 HA PHE A 90 11.089 -4.419 -0.188 1.00 35.21 H new ATOM 0 HB2 PHE A 90 9.058 -4.797 -1.159 1.00 73.24 H new ATOM 0 HB3 PHE A 90 10.037 -4.552 -2.591 1.00 73.24 H new ATOM 0 HD1 PHE A 90 8.110 -7.060 -0.638 1.00 45.11 H new ATOM 0 HD2 PHE A 90 10.461 -6.451 -4.164 1.00 25.31 H new ATOM 0 HE1 PHE A 90 7.336 -9.215 -1.537 1.00 43.34 H new ATOM 0 HE2 PHE A 90 9.666 -8.596 -5.050 1.00 0.21 H new ATOM 0 HZ PHE A 90 8.124 -9.991 -3.734 1.00 73.41 H new ATOM 1438 N ASN A 91 11.795 -7.630 -0.668 1.00 31.03 N ATOM 1439 CA ASN A 91 11.957 -8.947 -0.035 1.00 14.22 C ATOM 1440 C ASN A 91 12.991 -8.862 1.109 1.00 23.41 C ATOM 1441 O ASN A 91 12.761 -9.392 2.198 1.00 23.13 O ATOM 1442 CB ASN A 91 12.385 -9.992 -1.102 1.00 75.41 C ATOM 1443 CG ASN A 91 12.531 -11.418 -0.558 1.00 4.25 C ATOM 1444 OD1 ASN A 91 11.870 -11.808 0.400 1.00 73.31 O ATOM 1445 ND2 ASN A 91 13.396 -12.208 -1.177 1.00 11.10 N ATOM 0 H ASN A 91 12.125 -7.597 -1.633 1.00 31.03 H new ATOM 0 HA ASN A 91 11.006 -9.264 0.394 1.00 14.22 H new ATOM 0 HB2 ASN A 91 11.650 -9.995 -1.907 1.00 75.41 H new ATOM 0 HB3 ASN A 91 13.335 -9.682 -1.538 1.00 75.41 H new ATOM 0 HD21 ASN A 91 13.527 -13.169 -0.860 1.00 11.10 H new ATOM 0 HD22 ASN A 91 13.931 -11.856 -1.971 1.00 11.10 H new ATOM 1452 N LYS A 92 14.096 -8.132 0.845 1.00 33.43 N ATOM 1453 CA LYS A 92 15.243 -8.012 1.771 1.00 54.21 C ATOM 1454 C LYS A 92 14.814 -7.533 3.182 1.00 54.01 C ATOM 1455 O LYS A 92 15.117 -8.201 4.189 1.00 23.30 O ATOM 1456 CB LYS A 92 16.338 -7.076 1.171 1.00 52.22 C ATOM 1457 CG LYS A 92 17.629 -6.941 2.024 1.00 21.12 C ATOM 1458 CD LYS A 92 18.357 -8.293 2.243 1.00 2.05 C ATOM 1459 CE LYS A 92 19.631 -8.159 3.099 1.00 23.44 C ATOM 1460 NZ LYS A 92 19.354 -7.622 4.457 1.00 23.33 N ATOM 0 H LYS A 92 14.218 -7.607 -0.021 1.00 33.43 H new ATOM 0 HA LYS A 92 15.665 -9.009 1.892 1.00 54.21 H new ATOM 0 HB2 LYS A 92 16.611 -7.448 0.184 1.00 52.22 H new ATOM 0 HB3 LYS A 92 15.909 -6.084 1.030 1.00 52.22 H new ATOM 0 HG2 LYS A 92 18.309 -6.244 1.535 1.00 21.12 H new ATOM 0 HG3 LYS A 92 17.374 -6.511 2.993 1.00 21.12 H new ATOM 0 HD2 LYS A 92 17.674 -8.993 2.725 1.00 2.05 H new ATOM 0 HD3 LYS A 92 18.620 -8.719 1.275 1.00 2.05 H new ATOM 0 HE2 LYS A 92 20.108 -9.135 3.189 1.00 23.44 H new ATOM 0 HE3 LYS A 92 20.338 -7.504 2.591 1.00 23.44 H new ATOM 0 HZ1 LYS A 92 20.225 -7.647 5.025 1.00 23.33 H new ATOM 0 HZ2 LYS A 92 19.019 -6.641 4.380 1.00 23.33 H new ATOM 0 HZ3 LYS A 92 18.624 -8.202 4.918 1.00 23.33 H new ATOM 1474 N ILE A 93 14.095 -6.392 3.259 1.00 63.15 N ATOM 1475 CA ILE A 93 13.659 -5.841 4.569 1.00 21.41 C ATOM 1476 C ILE A 93 12.418 -6.580 5.121 1.00 44.53 C ATOM 1477 O ILE A 93 12.222 -6.614 6.339 1.00 61.55 O ATOM 1478 CB ILE A 93 13.405 -4.282 4.574 1.00 20.21 C ATOM 1479 CG1 ILE A 93 12.122 -3.875 3.783 1.00 62.24 C ATOM 1480 CG2 ILE A 93 14.648 -3.507 4.059 1.00 35.13 C ATOM 1481 CD1 ILE A 93 12.274 -3.781 2.281 1.00 61.44 C ATOM 0 H ILE A 93 13.807 -5.841 2.450 1.00 63.15 H new ATOM 0 HA ILE A 93 14.508 -6.016 5.229 1.00 21.41 H new ATOM 0 HB ILE A 93 13.233 -4.001 5.613 1.00 20.21 H new ATOM 0 HG12 ILE A 93 11.337 -4.598 4.005 1.00 62.24 H new ATOM 0 HG13 ILE A 93 11.780 -2.909 4.155 1.00 62.24 H new ATOM 0 HG21 ILE A 93 14.442 -2.437 4.074 1.00 35.13 H new ATOM 0 HG22 ILE A 93 15.502 -3.721 4.701 1.00 35.13 H new ATOM 0 HG23 ILE A 93 14.874 -3.818 3.039 1.00 35.13 H new ATOM 0 HD11 ILE A 93 11.322 -3.492 1.836 1.00 61.44 H new ATOM 0 HD12 ILE A 93 13.030 -3.034 2.038 1.00 61.44 H new ATOM 0 HD13 ILE A 93 12.580 -4.749 1.885 1.00 61.44 H new ATOM 1493 N ALA A 94 11.578 -7.148 4.217 1.00 35.53 N ATOM 1494 CA ALA A 94 10.344 -7.885 4.607 1.00 14.11 C ATOM 1495 C ALA A 94 10.662 -9.104 5.495 1.00 23.20 C ATOM 1496 O ALA A 94 9.956 -9.366 6.481 1.00 25.20 O ATOM 1497 CB ALA A 94 9.559 -8.322 3.360 1.00 72.33 C ATOM 0 H ALA A 94 11.733 -7.110 3.210 1.00 35.53 H new ATOM 0 HA ALA A 94 9.727 -7.202 5.192 1.00 14.11 H new ATOM 0 HB1 ALA A 94 8.661 -8.859 3.665 1.00 72.33 H new ATOM 0 HB2 ALA A 94 9.277 -7.443 2.781 1.00 72.33 H new ATOM 0 HB3 ALA A 94 10.182 -8.975 2.748 1.00 72.33 H new ATOM 1503 N VAL A 95 11.743 -9.831 5.137 1.00 61.14 N ATOM 1504 CA VAL A 95 12.223 -10.995 5.916 1.00 32.32 C ATOM 1505 C VAL A 95 12.805 -10.532 7.260 1.00 3.33 C ATOM 1506 O VAL A 95 12.559 -11.138 8.302 1.00 42.33 O ATOM 1507 CB VAL A 95 13.325 -11.826 5.148 1.00 22.30 C ATOM 1508 CG1 VAL A 95 13.707 -13.122 5.914 1.00 62.23 C ATOM 1509 CG2 VAL A 95 12.894 -12.154 3.711 1.00 20.53 C ATOM 0 H VAL A 95 12.303 -9.631 4.308 1.00 61.14 H new ATOM 0 HA VAL A 95 11.359 -11.640 6.074 1.00 32.32 H new ATOM 0 HB VAL A 95 14.212 -11.194 5.095 1.00 22.30 H new ATOM 0 HG11 VAL A 95 14.467 -13.665 5.353 1.00 62.23 H new ATOM 0 HG12 VAL A 95 14.098 -12.861 6.897 1.00 62.23 H new ATOM 0 HG13 VAL A 95 12.824 -13.750 6.030 1.00 62.23 H new ATOM 0 HG21 VAL A 95 13.679 -12.726 3.217 1.00 20.53 H new ATOM 0 HG22 VAL A 95 11.976 -12.741 3.732 1.00 20.53 H new ATOM 0 HG23 VAL A 95 12.720 -11.228 3.163 1.00 20.53 H new ATOM 1519 N PHE A 96 13.575 -9.434 7.210 1.00 3.04 N ATOM 1520 CA PHE A 96 14.336 -8.929 8.370 1.00 30.24 C ATOM 1521 C PHE A 96 13.416 -8.168 9.362 1.00 61.35 C ATOM 1522 O PHE A 96 13.828 -7.871 10.487 1.00 3.23 O ATOM 1523 CB PHE A 96 15.510 -8.049 7.857 1.00 62.21 C ATOM 1524 CG PHE A 96 16.627 -7.806 8.878 1.00 1.35 C ATOM 1525 CD1 PHE A 96 17.462 -8.853 9.281 1.00 4.13 C ATOM 1526 CD2 PHE A 96 16.853 -6.543 9.423 1.00 43.44 C ATOM 1527 CE1 PHE A 96 18.477 -8.641 10.189 1.00 4.42 C ATOM 1528 CE2 PHE A 96 17.871 -6.331 10.336 1.00 0.43 C ATOM 1529 CZ PHE A 96 18.682 -7.380 10.718 1.00 40.12 C ATOM 0 H PHE A 96 13.689 -8.870 6.368 1.00 3.04 H new ATOM 0 HA PHE A 96 14.750 -9.768 8.930 1.00 30.24 H new ATOM 0 HB2 PHE A 96 15.941 -8.522 6.974 1.00 62.21 H new ATOM 0 HB3 PHE A 96 15.111 -7.085 7.540 1.00 62.21 H new ATOM 0 HD1 PHE A 96 17.309 -9.842 8.875 1.00 4.13 H new ATOM 0 HD2 PHE A 96 16.223 -5.717 9.128 1.00 43.44 H new ATOM 0 HE1 PHE A 96 19.113 -9.461 10.488 1.00 4.42 H new ATOM 0 HE2 PHE A 96 18.031 -5.346 10.749 1.00 0.43 H new ATOM 0 HZ PHE A 96 19.477 -7.216 11.430 1.00 40.12 H new ATOM 1692 N ASP B 9 -6.143 -10.229 16.366 1.00 22.44 N ATOM 1693 CA ASP B 9 -6.534 -8.797 16.449 1.00 45.32 C ATOM 1694 C ASP B 9 -6.338 -8.166 15.073 1.00 12.32 C ATOM 1695 O ASP B 9 -7.289 -7.673 14.454 1.00 62.55 O ATOM 1696 CB ASP B 9 -5.635 -8.084 17.489 1.00 1.42 C ATOM 1697 CG ASP B 9 -6.159 -6.748 18.039 1.00 1.43 C ATOM 1698 OD1 ASP B 9 -6.229 -5.756 17.290 1.00 52.34 O ATOM 1699 OD2 ASP B 9 -6.470 -6.694 19.254 1.00 61.25 O ATOM 0 HA ASP B 9 -7.576 -8.701 16.755 1.00 45.32 H new ATOM 0 HB2 ASP B 9 -5.479 -8.762 18.328 1.00 1.42 H new ATOM 0 HB3 ASP B 9 -4.660 -7.908 17.035 1.00 1.42 H new ATOM 1704 N ASN B 10 -5.075 -8.236 14.586 1.00 4.03 N ATOM 1705 CA ASN B 10 -4.722 -7.756 13.251 1.00 24.30 C ATOM 1706 C ASN B 10 -5.227 -8.780 12.241 1.00 21.42 C ATOM 1707 O ASN B 10 -5.086 -10.001 12.439 1.00 32.32 O ATOM 1708 CB ASN B 10 -3.182 -7.532 13.085 1.00 42.02 C ATOM 1709 CG ASN B 10 -2.340 -8.820 13.137 1.00 11.20 C ATOM 1710 OD1 ASN B 10 -1.908 -9.254 14.206 1.00 10.22 O ATOM 1711 ND2 ASN B 10 -2.095 -9.440 11.982 1.00 34.32 N ATOM 0 H ASN B 10 -4.290 -8.624 15.109 1.00 4.03 H new ATOM 0 HA ASN B 10 -5.188 -6.784 13.087 1.00 24.30 H new ATOM 0 HB2 ASN B 10 -3.001 -7.033 12.133 1.00 42.02 H new ATOM 0 HB3 ASN B 10 -2.839 -6.857 13.869 1.00 42.02 H new ATOM 0 HD21 ASN B 10 -1.538 -10.295 11.970 1.00 34.32 H new ATOM 0 HD22 ASN B 10 -2.464 -9.060 11.111 1.00 34.32 H new ATOM 1718 N VAL B 11 -5.855 -8.286 11.182 1.00 12.12 N ATOM 1719 CA VAL B 11 -6.451 -9.129 10.154 1.00 75.43 C ATOM 1720 C VAL B 11 -5.591 -9.068 8.914 1.00 24.31 C ATOM 1721 O VAL B 11 -4.982 -8.041 8.601 1.00 15.41 O ATOM 1722 CB VAL B 11 -7.957 -8.765 9.817 1.00 45.04 C ATOM 1723 CG1 VAL B 11 -8.739 -8.516 11.114 1.00 1.34 C ATOM 1724 CG2 VAL B 11 -8.117 -7.582 8.818 1.00 73.44 C ATOM 0 H VAL B 11 -5.966 -7.286 11.011 1.00 12.12 H new ATOM 0 HA VAL B 11 -6.485 -10.145 10.547 1.00 75.43 H new ATOM 0 HB VAL B 11 -8.377 -9.627 9.299 1.00 45.04 H new ATOM 0 HG11 VAL B 11 -9.772 -8.267 10.874 1.00 1.34 H new ATOM 0 HG12 VAL B 11 -8.717 -9.415 11.731 1.00 1.34 H new ATOM 0 HG13 VAL B 11 -8.284 -7.690 11.660 1.00 1.34 H new ATOM 0 HG21 VAL B 11 -9.176 -7.397 8.640 1.00 73.44 H new ATOM 0 HG22 VAL B 11 -7.657 -6.687 9.237 1.00 73.44 H new ATOM 0 HG23 VAL B 11 -7.630 -7.833 7.876 1.00 73.44 H new ATOM 1734 N ILE B 12 -5.506 -10.204 8.270 1.00 65.01 N ATOM 1735 CA ILE B 12 -4.937 -10.356 6.959 1.00 3.25 C ATOM 1736 C ILE B 12 -6.082 -10.132 5.956 1.00 35.24 C ATOM 1737 O ILE B 12 -6.783 -11.070 5.555 1.00 63.03 O ATOM 1738 CB ILE B 12 -4.315 -11.794 6.822 1.00 22.13 C ATOM 1739 CG1 ILE B 12 -3.361 -12.133 8.029 1.00 34.24 C ATOM 1740 CG2 ILE B 12 -3.600 -11.958 5.483 1.00 55.33 C ATOM 1741 CD1 ILE B 12 -2.172 -11.199 8.226 1.00 62.21 C ATOM 0 H ILE B 12 -5.845 -11.082 8.662 1.00 65.01 H new ATOM 0 HA ILE B 12 -4.135 -9.642 6.772 1.00 3.25 H new ATOM 0 HB ILE B 12 -5.136 -12.510 6.851 1.00 22.13 H new ATOM 0 HG12 ILE B 12 -3.953 -12.133 8.944 1.00 34.24 H new ATOM 0 HG13 ILE B 12 -2.983 -13.146 7.894 1.00 34.24 H new ATOM 0 HG21 ILE B 12 -3.180 -12.961 5.416 1.00 55.33 H new ATOM 0 HG22 ILE B 12 -4.310 -11.807 4.670 1.00 55.33 H new ATOM 0 HG23 ILE B 12 -2.799 -11.223 5.406 1.00 55.33 H new ATOM 0 HD11 ILE B 12 -1.588 -11.530 9.084 1.00 62.21 H new ATOM 0 HD12 ILE B 12 -1.546 -11.213 7.334 1.00 62.21 H new ATOM 0 HD13 ILE B 12 -2.531 -10.185 8.401 1.00 62.21 H new ATOM 1753 N LEU B 13 -6.313 -8.855 5.627 1.00 51.21 N ATOM 1754 CA LEU B 13 -7.355 -8.450 4.681 1.00 44.14 C ATOM 1755 C LEU B 13 -6.711 -8.437 3.300 1.00 33.33 C ATOM 1756 O LEU B 13 -6.165 -7.430 2.864 1.00 33.04 O ATOM 1757 CB LEU B 13 -7.952 -7.064 5.091 1.00 63.44 C ATOM 1758 CG LEU B 13 -9.388 -6.704 4.559 1.00 64.14 C ATOM 1759 CD1 LEU B 13 -9.947 -5.476 5.309 1.00 65.14 C ATOM 1760 CD2 LEU B 13 -9.430 -6.479 3.026 1.00 40.10 C ATOM 0 H LEU B 13 -5.781 -8.074 6.011 1.00 51.21 H new ATOM 0 HA LEU B 13 -8.197 -9.142 4.679 1.00 44.14 H new ATOM 0 HB2 LEU B 13 -7.975 -7.017 6.180 1.00 63.44 H new ATOM 0 HB3 LEU B 13 -7.264 -6.289 4.753 1.00 63.44 H new ATOM 0 HG LEU B 13 -10.023 -7.567 4.759 1.00 64.14 H new ATOM 0 HD11 LEU B 13 -10.941 -5.239 4.930 1.00 65.14 H new ATOM 0 HD12 LEU B 13 -10.008 -5.697 6.375 1.00 65.14 H new ATOM 0 HD13 LEU B 13 -9.287 -4.623 5.153 1.00 65.14 H new ATOM 0 HD21 LEU B 13 -10.448 -6.234 2.722 1.00 40.10 H new ATOM 0 HD22 LEU B 13 -8.764 -5.658 2.760 1.00 40.10 H new ATOM 0 HD23 LEU B 13 -9.107 -7.387 2.516 1.00 40.10 H new ATOM 1772 N GLU B 14 -6.733 -9.587 2.641 1.00 22.31 N ATOM 1773 CA GLU B 14 -6.009 -9.802 1.399 1.00 52.32 C ATOM 1774 C GLU B 14 -6.976 -9.883 0.206 1.00 13.20 C ATOM 1775 O GLU B 14 -7.795 -10.797 0.096 1.00 43.54 O ATOM 1776 CB GLU B 14 -5.112 -11.052 1.535 1.00 1.54 C ATOM 1777 CG GLU B 14 -5.818 -12.357 1.960 1.00 13.32 C ATOM 1778 CD GLU B 14 -4.906 -13.581 1.816 1.00 40.34 C ATOM 1779 OE1 GLU B 14 -4.728 -14.054 0.666 1.00 53.22 O ATOM 1780 OE2 GLU B 14 -4.343 -14.053 2.825 1.00 54.04 O ATOM 0 H GLU B 14 -7.258 -10.402 2.957 1.00 22.31 H new ATOM 0 HA GLU B 14 -5.358 -8.951 1.200 1.00 52.32 H new ATOM 0 HB2 GLU B 14 -4.619 -11.225 0.578 1.00 1.54 H new ATOM 0 HB3 GLU B 14 -4.329 -10.834 2.262 1.00 1.54 H new ATOM 0 HG2 GLU B 14 -6.146 -12.270 2.996 1.00 13.32 H new ATOM 0 HG3 GLU B 14 -6.712 -12.499 1.353 1.00 13.32 H new ATOM 1787 N LEU B 15 -6.875 -8.893 -0.686 1.00 65.01 N ATOM 1788 CA LEU B 15 -7.737 -8.779 -1.872 1.00 2.22 C ATOM 1789 C LEU B 15 -6.900 -8.873 -3.161 1.00 51.45 C ATOM 1790 O LEU B 15 -5.752 -8.432 -3.193 1.00 61.24 O ATOM 1791 CB LEU B 15 -8.597 -7.463 -1.795 1.00 15.24 C ATOM 1792 CG LEU B 15 -7.933 -6.180 -1.158 1.00 70.32 C ATOM 1793 CD1 LEU B 15 -6.800 -5.594 -2.023 1.00 13.13 C ATOM 1794 CD2 LEU B 15 -8.995 -5.098 -0.834 1.00 40.32 C ATOM 0 H LEU B 15 -6.189 -8.142 -0.607 1.00 65.01 H new ATOM 0 HA LEU B 15 -8.436 -9.615 -1.894 1.00 2.22 H new ATOM 0 HB2 LEU B 15 -8.910 -7.209 -2.808 1.00 15.24 H new ATOM 0 HB3 LEU B 15 -9.501 -7.687 -1.229 1.00 15.24 H new ATOM 0 HG LEU B 15 -7.475 -6.508 -0.225 1.00 70.32 H new ATOM 0 HD11 LEU B 15 -6.384 -4.714 -1.531 1.00 13.13 H new ATOM 0 HD12 LEU B 15 -6.017 -6.341 -2.152 1.00 13.13 H new ATOM 0 HD13 LEU B 15 -7.196 -5.311 -2.998 1.00 13.13 H new ATOM 0 HD21 LEU B 15 -8.506 -4.228 -0.397 1.00 40.32 H new ATOM 0 HD22 LEU B 15 -9.507 -4.804 -1.751 1.00 40.32 H new ATOM 0 HD23 LEU B 15 -9.720 -5.500 -0.127 1.00 40.32 H new ATOM 1806 N THR B 16 -7.475 -9.499 -4.194 1.00 75.03 N ATOM 1807 CA THR B 16 -6.890 -9.561 -5.535 1.00 52.03 C ATOM 1808 C THR B 16 -7.508 -8.438 -6.371 1.00 60.12 C ATOM 1809 O THR B 16 -8.718 -8.440 -6.607 1.00 44.52 O ATOM 1810 CB THR B 16 -7.171 -10.935 -6.235 1.00 13.25 C ATOM 1811 OG1 THR B 16 -6.719 -12.010 -5.402 1.00 23.20 O ATOM 1812 CG2 THR B 16 -6.490 -11.021 -7.620 1.00 62.10 C ATOM 0 H THR B 16 -8.370 -9.982 -4.120 1.00 75.03 H new ATOM 0 HA THR B 16 -5.809 -9.451 -5.450 1.00 52.03 H new ATOM 0 HB THR B 16 -8.247 -11.017 -6.387 1.00 13.25 H new ATOM 0 HG1 THR B 16 -5.895 -11.744 -4.944 1.00 23.20 H new ATOM 0 HG21 THR B 16 -6.708 -11.988 -8.073 1.00 62.10 H new ATOM 0 HG22 THR B 16 -6.869 -10.226 -8.262 1.00 62.10 H new ATOM 0 HG23 THR B 16 -5.412 -10.910 -7.503 1.00 62.10 H new ATOM 1820 N VAL B 17 -6.692 -7.468 -6.773 1.00 53.32 N ATOM 1821 CA VAL B 17 -7.107 -6.410 -7.705 1.00 55.11 C ATOM 1822 C VAL B 17 -6.295 -6.566 -8.992 1.00 45.34 C ATOM 1823 O VAL B 17 -5.193 -7.111 -8.964 1.00 13.51 O ATOM 1824 CB VAL B 17 -6.920 -4.958 -7.106 1.00 31.11 C ATOM 1825 CG1 VAL B 17 -7.517 -4.862 -5.682 1.00 42.23 C ATOM 1826 CG2 VAL B 17 -5.446 -4.471 -7.135 1.00 4.42 C ATOM 0 H VAL B 17 -5.723 -7.388 -6.465 1.00 53.32 H new ATOM 0 HA VAL B 17 -8.174 -6.520 -7.901 1.00 55.11 H new ATOM 0 HB VAL B 17 -7.475 -4.283 -7.758 1.00 31.11 H new ATOM 0 HG11 VAL B 17 -7.374 -3.853 -5.295 1.00 42.23 H new ATOM 0 HG12 VAL B 17 -8.582 -5.089 -5.718 1.00 42.23 H new ATOM 0 HG13 VAL B 17 -7.016 -5.576 -5.028 1.00 42.23 H new ATOM 0 HG21 VAL B 17 -5.385 -3.469 -6.710 1.00 4.42 H new ATOM 0 HG22 VAL B 17 -4.827 -5.151 -6.550 1.00 4.42 H new ATOM 0 HG23 VAL B 17 -5.090 -4.451 -8.165 1.00 4.42 H new ATOM 1836 N ARG B 18 -6.851 -6.141 -10.122 1.00 22.42 N ATOM 1837 CA ARG B 18 -6.075 -5.985 -11.366 1.00 24.13 C ATOM 1838 C ARG B 18 -5.744 -4.495 -11.540 1.00 11.31 C ATOM 1839 O ARG B 18 -6.526 -3.635 -11.101 1.00 12.42 O ATOM 1840 CB ARG B 18 -6.823 -6.586 -12.578 1.00 1.45 C ATOM 1841 CG ARG B 18 -8.229 -6.024 -12.847 1.00 4.21 C ATOM 1842 CD ARG B 18 -8.942 -6.756 -14.002 1.00 75.34 C ATOM 1843 NE ARG B 18 -8.147 -6.755 -15.252 1.00 42.11 N ATOM 1844 CZ ARG B 18 -8.645 -6.918 -16.493 1.00 70.34 C ATOM 1845 NH1 ARG B 18 -9.949 -7.099 -16.693 1.00 70.31 N ATOM 1846 NH2 ARG B 18 -7.820 -6.912 -17.530 1.00 45.54 N ATOM 0 H ARG B 18 -7.837 -5.896 -10.211 1.00 22.42 H new ATOM 0 HA ARG B 18 -5.141 -6.544 -11.303 1.00 24.13 H new ATOM 0 HB2 ARG B 18 -6.214 -6.431 -13.469 1.00 1.45 H new ATOM 0 HB3 ARG B 18 -6.905 -7.663 -12.432 1.00 1.45 H new ATOM 0 HG2 ARG B 18 -8.830 -6.107 -11.942 1.00 4.21 H new ATOM 0 HG3 ARG B 18 -8.154 -4.963 -13.084 1.00 4.21 H new ATOM 0 HD2 ARG B 18 -9.145 -7.785 -13.705 1.00 75.34 H new ATOM 0 HD3 ARG B 18 -9.906 -6.282 -14.188 1.00 75.34 H new ATOM 0 HE ARG B 18 -7.140 -6.620 -15.166 1.00 42.11 H new ATOM 0 HH11 ARG B 18 -10.589 -7.116 -15.899 1.00 70.31 H new ATOM 0 HH12 ARG B 18 -10.308 -7.221 -17.640 1.00 70.31 H new ATOM 0 HH21 ARG B 18 -6.819 -6.785 -17.384 1.00 45.54 H new ATOM 0 HH22 ARG B 18 -8.186 -7.035 -18.474 1.00 45.54 H new ATOM 1860 N ASN B 19 -4.580 -4.208 -12.159 1.00 3.44 N ATOM 1861 CA ASN B 19 -3.956 -2.871 -12.143 1.00 54.21 C ATOM 1862 C ASN B 19 -4.770 -1.865 -12.996 1.00 24.21 C ATOM 1863 O ASN B 19 -4.558 -1.708 -14.203 1.00 52.31 O ATOM 1864 CB ASN B 19 -2.459 -2.965 -12.583 1.00 44.42 C ATOM 1865 CG ASN B 19 -1.627 -1.697 -12.266 1.00 11.01 C ATOM 1866 OD1 ASN B 19 -2.116 -0.575 -12.346 1.00 34.54 O ATOM 1867 ND2 ASN B 19 -0.370 -1.870 -11.869 1.00 24.43 N ATOM 0 H ASN B 19 -4.046 -4.900 -12.685 1.00 3.44 H new ATOM 0 HA ASN B 19 -3.968 -2.487 -11.123 1.00 54.21 H new ATOM 0 HB2 ASN B 19 -1.999 -3.821 -12.089 1.00 44.42 H new ATOM 0 HB3 ASN B 19 -2.418 -3.155 -13.655 1.00 44.42 H new ATOM 0 HD21 ASN B 19 0.204 -1.063 -11.625 1.00 24.43 H new ATOM 0 HD22 ASN B 19 0.021 -2.810 -11.808 1.00 24.43 H new ATOM 1874 N HIS B 20 -5.769 -1.277 -12.322 1.00 20.44 N ATOM 1875 CA HIS B 20 -6.610 -0.165 -12.818 1.00 24.42 C ATOM 1876 C HIS B 20 -6.053 1.187 -12.298 1.00 4.41 C ATOM 1877 O HIS B 20 -5.246 1.186 -11.358 1.00 1.02 O ATOM 1878 CB HIS B 20 -8.086 -0.382 -12.359 1.00 24.13 C ATOM 1879 CG HIS B 20 -8.822 -1.446 -13.127 1.00 43.13 C ATOM 1880 ND1 HIS B 20 -9.015 -1.391 -14.489 1.00 21.11 N ATOM 1881 CD2 HIS B 20 -9.409 -2.596 -12.723 1.00 73.41 C ATOM 1882 CE1 HIS B 20 -9.689 -2.449 -14.879 1.00 3.35 C ATOM 1883 NE2 HIS B 20 -9.945 -3.200 -13.828 1.00 20.02 N ATOM 0 H HIS B 20 -6.028 -1.570 -11.380 1.00 20.44 H new ATOM 0 HA HIS B 20 -6.589 -0.143 -13.908 1.00 24.42 H new ATOM 0 HB2 HIS B 20 -8.091 -0.645 -11.301 1.00 24.13 H new ATOM 0 HB3 HIS B 20 -8.627 0.559 -12.456 1.00 24.13 H new ATOM 0 HD2 HIS B 20 -9.448 -2.970 -11.711 1.00 73.41 H new ATOM 0 HE1 HIS B 20 -9.985 -2.667 -15.895 1.00 3.35 H new ATOM 0 HE2 HIS B 20 -10.456 -4.083 -13.836 1.00 20.02 H new ATOM 1892 N PRO B 21 -6.430 2.359 -12.932 1.00 11.24 N ATOM 1893 CA PRO B 21 -5.987 3.710 -12.488 1.00 73.50 C ATOM 1894 C PRO B 21 -6.152 3.971 -10.968 1.00 41.55 C ATOM 1895 O PRO B 21 -7.260 4.227 -10.485 1.00 23.42 O ATOM 1896 CB PRO B 21 -6.868 4.663 -13.334 1.00 4.24 C ATOM 1897 CG PRO B 21 -7.134 3.897 -14.597 1.00 75.23 C ATOM 1898 CD PRO B 21 -7.267 2.451 -14.168 1.00 24.02 C ATOM 0 HA PRO B 21 -4.916 3.846 -12.638 1.00 73.50 H new ATOM 0 HB2 PRO B 21 -7.795 4.912 -12.817 1.00 4.24 H new ATOM 0 HB3 PRO B 21 -6.355 5.603 -13.539 1.00 4.24 H new ATOM 0 HG2 PRO B 21 -8.043 4.247 -15.085 1.00 75.23 H new ATOM 0 HG3 PRO B 21 -6.320 4.022 -15.311 1.00 75.23 H new ATOM 0 HD2 PRO B 21 -8.306 2.189 -13.967 1.00 24.02 H new ATOM 0 HD3 PRO B 21 -6.911 1.771 -14.942 1.00 24.02 H new ATOM 1906 N GLY B 22 -5.029 3.843 -10.238 1.00 43.23 N ATOM 1907 CA GLY B 22 -4.942 4.193 -8.819 1.00 60.03 C ATOM 1908 C GLY B 22 -5.877 3.411 -7.903 1.00 3.13 C ATOM 1909 O GLY B 22 -6.544 4.010 -7.053 1.00 2.05 O ATOM 0 H GLY B 22 -4.153 3.491 -10.624 1.00 43.23 H new ATOM 0 HA2 GLY B 22 -3.916 4.038 -8.484 1.00 60.03 H new ATOM 0 HA3 GLY B 22 -5.156 5.256 -8.709 1.00 60.03 H new ATOM 1913 N VAL B 23 -5.910 2.065 -8.066 1.00 11.21 N ATOM 1914 CA VAL B 23 -6.708 1.159 -7.195 1.00 61.14 C ATOM 1915 C VAL B 23 -6.329 1.346 -5.712 1.00 0.02 C ATOM 1916 O VAL B 23 -7.170 1.248 -4.819 1.00 35.02 O ATOM 1917 CB VAL B 23 -6.498 -0.359 -7.550 1.00 14.43 C ATOM 1918 CG1 VAL B 23 -7.446 -1.259 -6.729 1.00 52.22 C ATOM 1919 CG2 VAL B 23 -6.673 -0.627 -9.049 1.00 15.11 C ATOM 0 H VAL B 23 -5.391 1.578 -8.797 1.00 11.21 H new ATOM 0 HA VAL B 23 -7.750 1.427 -7.367 1.00 61.14 H new ATOM 0 HB VAL B 23 -5.469 -0.606 -7.287 1.00 14.43 H new ATOM 0 HG11 VAL B 23 -7.278 -2.303 -6.995 1.00 52.22 H new ATOM 0 HG12 VAL B 23 -7.250 -1.120 -5.666 1.00 52.22 H new ATOM 0 HG13 VAL B 23 -8.480 -0.991 -6.945 1.00 52.22 H new ATOM 0 HG21 VAL B 23 -6.519 -1.687 -9.249 1.00 15.11 H new ATOM 0 HG22 VAL B 23 -7.680 -0.342 -9.354 1.00 15.11 H new ATOM 0 HG23 VAL B 23 -5.944 -0.042 -9.611 1.00 15.11 H new ATOM 1929 N MET B 24 -5.039 1.630 -5.492 1.00 43.12 N ATOM 1930 CA MET B 24 -4.443 1.783 -4.157 1.00 32.30 C ATOM 1931 C MET B 24 -5.094 2.942 -3.379 1.00 53.13 C ATOM 1932 O MET B 24 -5.261 2.861 -2.165 1.00 51.11 O ATOM 1933 CB MET B 24 -2.917 1.996 -4.298 1.00 2.44 C ATOM 1934 CG MET B 24 -2.221 0.904 -5.122 1.00 73.51 C ATOM 1935 SD MET B 24 -2.541 -0.759 -4.485 1.00 31.32 S ATOM 1936 CE MET B 24 -1.735 -1.785 -5.718 1.00 2.33 C ATOM 0 H MET B 24 -4.368 1.762 -6.249 1.00 43.12 H new ATOM 0 HA MET B 24 -4.626 0.873 -3.585 1.00 32.30 H new ATOM 0 HB2 MET B 24 -2.735 2.964 -4.765 1.00 2.44 H new ATOM 0 HB3 MET B 24 -2.470 2.032 -3.305 1.00 2.44 H new ATOM 0 HG2 MET B 24 -2.559 0.964 -6.157 1.00 73.51 H new ATOM 0 HG3 MET B 24 -1.146 1.087 -5.126 1.00 73.51 H new ATOM 0 HE1 MET B 24 -1.987 -2.831 -5.542 1.00 2.33 H new ATOM 0 HE2 MET B 24 -2.073 -1.493 -6.712 1.00 2.33 H new ATOM 0 HE3 MET B 24 -0.655 -1.655 -5.650 1.00 2.33 H new ATOM 1946 N THR B 25 -5.479 4.005 -4.105 1.00 73.21 N ATOM 1947 CA THR B 25 -6.170 5.169 -3.521 1.00 32.10 C ATOM 1948 C THR B 25 -7.612 4.789 -3.093 1.00 24.23 C ATOM 1949 O THR B 25 -8.123 5.276 -2.074 1.00 24.12 O ATOM 1950 CB THR B 25 -6.197 6.360 -4.544 1.00 65.12 C ATOM 1951 OG1 THR B 25 -4.904 6.491 -5.158 1.00 32.33 O ATOM 1952 CG2 THR B 25 -6.570 7.700 -3.874 1.00 64.25 C ATOM 0 H THR B 25 -5.321 4.083 -5.110 1.00 73.21 H new ATOM 0 HA THR B 25 -5.621 5.486 -2.634 1.00 32.10 H new ATOM 0 HB THR B 25 -6.960 6.133 -5.288 1.00 65.12 H new ATOM 0 HG1 THR B 25 -4.919 7.233 -5.798 1.00 32.33 H new ATOM 0 HG21 THR B 25 -6.575 8.492 -4.623 1.00 64.25 H new ATOM 0 HG22 THR B 25 -7.560 7.619 -3.425 1.00 64.25 H new ATOM 0 HG23 THR B 25 -5.839 7.936 -3.101 1.00 64.25 H new ATOM 1960 N HIS B 26 -8.234 3.884 -3.882 1.00 70.02 N ATOM 1961 CA HIS B 26 -9.606 3.391 -3.637 1.00 32.22 C ATOM 1962 C HIS B 26 -9.647 2.495 -2.383 1.00 54.14 C ATOM 1963 O HIS B 26 -10.445 2.742 -1.472 1.00 52.23 O ATOM 1964 CB HIS B 26 -10.147 2.612 -4.874 1.00 74.15 C ATOM 1965 CG HIS B 26 -10.441 3.474 -6.084 1.00 22.24 C ATOM 1966 ND1 HIS B 26 -11.689 3.549 -6.673 1.00 74.35 N ATOM 1967 CD2 HIS B 26 -9.644 4.290 -6.818 1.00 63.42 C ATOM 1968 CE1 HIS B 26 -11.640 4.363 -7.707 1.00 42.52 C ATOM 1969 NE2 HIS B 26 -10.417 4.824 -7.816 1.00 55.31 N ATOM 0 H HIS B 26 -7.797 3.475 -4.708 1.00 70.02 H new ATOM 0 HA HIS B 26 -10.248 4.256 -3.468 1.00 32.22 H new ATOM 0 HB2 HIS B 26 -9.418 1.851 -5.155 1.00 74.15 H new ATOM 0 HB3 HIS B 26 -11.059 2.089 -4.587 1.00 74.15 H new ATOM 0 HD2 HIS B 26 -8.595 4.483 -6.648 1.00 63.42 H new ATOM 0 HE1 HIS B 26 -12.467 4.609 -8.356 1.00 42.52 H new ATOM 0 HE2 HIS B 26 -10.093 5.476 -8.530 1.00 55.31 H new ATOM 1978 N VAL B 27 -8.760 1.467 -2.340 1.00 22.45 N ATOM 1979 CA VAL B 27 -8.742 0.474 -1.246 1.00 72.52 C ATOM 1980 C VAL B 27 -8.420 1.159 0.101 1.00 10.12 C ATOM 1981 O VAL B 27 -9.170 1.006 1.076 1.00 0.22 O ATOM 1982 CB VAL B 27 -7.762 -0.749 -1.537 1.00 62.13 C ATOM 1983 CG1 VAL B 27 -8.133 -1.461 -2.862 1.00 2.32 C ATOM 1984 CG2 VAL B 27 -6.269 -0.344 -1.543 1.00 60.12 C ATOM 0 H VAL B 27 -8.049 1.309 -3.054 1.00 22.45 H new ATOM 0 HA VAL B 27 -9.742 0.045 -1.183 1.00 72.52 H new ATOM 0 HB VAL B 27 -7.898 -1.445 -0.710 1.00 62.13 H new ATOM 0 HG11 VAL B 27 -7.447 -2.291 -3.034 1.00 2.32 H new ATOM 0 HG12 VAL B 27 -9.153 -1.841 -2.798 1.00 2.32 H new ATOM 0 HG13 VAL B 27 -8.060 -0.753 -3.688 1.00 2.32 H new ATOM 0 HG21 VAL B 27 -5.655 -1.221 -1.747 1.00 60.12 H new ATOM 0 HG22 VAL B 27 -6.098 0.406 -2.316 1.00 60.12 H new ATOM 0 HG23 VAL B 27 -6.000 0.069 -0.571 1.00 60.12 H new ATOM 1994 N CYS B 28 -7.360 1.997 0.102 1.00 31.13 N ATOM 1995 CA CYS B 28 -6.918 2.758 1.282 1.00 24.41 C ATOM 1996 C CYS B 28 -7.999 3.753 1.737 1.00 70.51 C ATOM 1997 O CYS B 28 -8.101 4.058 2.927 1.00 11.33 O ATOM 1998 CB CYS B 28 -5.598 3.488 0.961 1.00 51.04 C ATOM 1999 SG CYS B 28 -4.217 2.378 0.602 1.00 1.35 S ATOM 0 H CYS B 28 -6.786 2.163 -0.724 1.00 31.13 H new ATOM 0 HA CYS B 28 -6.748 2.063 2.104 1.00 24.41 H new ATOM 0 HB2 CYS B 28 -5.756 4.144 0.105 1.00 51.04 H new ATOM 0 HB3 CYS B 28 -5.331 4.124 1.805 1.00 51.04 H new ATOM 0 HG CYS B 28 -4.148 2.171 -0.680 1.00 1.35 H new ATOM 2005 N GLY B 29 -8.800 4.231 0.765 1.00 44.51 N ATOM 2006 CA GLY B 29 -9.949 5.083 1.036 1.00 43.52 C ATOM 2007 C GLY B 29 -10.988 4.410 1.933 1.00 63.44 C ATOM 2008 O GLY B 29 -11.462 5.017 2.897 1.00 15.35 O ATOM 0 H GLY B 29 -8.660 4.031 -0.225 1.00 44.51 H new ATOM 0 HA2 GLY B 29 -9.609 6.004 1.510 1.00 43.52 H new ATOM 0 HA3 GLY B 29 -10.418 5.364 0.093 1.00 43.52 H new ATOM 2012 N LEU B 30 -11.312 3.131 1.628 1.00 44.50 N ATOM 2013 CA LEU B 30 -12.320 2.347 2.387 1.00 32.14 C ATOM 2014 C LEU B 30 -11.869 2.061 3.839 1.00 63.04 C ATOM 2015 O LEU B 30 -12.693 2.095 4.765 1.00 51.33 O ATOM 2016 CB LEU B 30 -12.700 1.021 1.648 1.00 61.22 C ATOM 2017 CG LEU B 30 -13.837 1.122 0.567 1.00 21.24 C ATOM 2018 CD1 LEU B 30 -15.158 1.663 1.170 1.00 22.11 C ATOM 2019 CD2 LEU B 30 -13.408 1.944 -0.671 1.00 5.03 C ATOM 0 H LEU B 30 -10.888 2.616 0.857 1.00 44.50 H new ATOM 0 HA LEU B 30 -13.214 2.967 2.442 1.00 32.14 H new ATOM 0 HB2 LEU B 30 -11.804 0.630 1.165 1.00 61.22 H new ATOM 0 HB3 LEU B 30 -13.004 0.289 2.396 1.00 61.22 H new ATOM 0 HG LEU B 30 -14.022 0.104 0.223 1.00 21.24 H new ATOM 0 HD11 LEU B 30 -15.918 1.718 0.391 1.00 22.11 H new ATOM 0 HD12 LEU B 30 -15.497 0.995 1.962 1.00 22.11 H new ATOM 0 HD13 LEU B 30 -14.989 2.658 1.583 1.00 22.11 H new ATOM 0 HD21 LEU B 30 -14.230 1.982 -1.385 1.00 5.03 H new ATOM 0 HD22 LEU B 30 -13.148 2.957 -0.363 1.00 5.03 H new ATOM 0 HD23 LEU B 30 -12.543 1.473 -1.138 1.00 5.03 H new ATOM 2031 N PHE B 31 -10.569 1.799 4.034 1.00 4.22 N ATOM 2032 CA PHE B 31 -10.019 1.426 5.362 1.00 52.43 C ATOM 2033 C PHE B 31 -9.827 2.670 6.255 1.00 73.21 C ATOM 2034 O PHE B 31 -10.047 2.615 7.472 1.00 52.22 O ATOM 2035 CB PHE B 31 -8.691 0.634 5.188 1.00 42.03 C ATOM 2036 CG PHE B 31 -8.813 -0.549 4.213 1.00 40.44 C ATOM 2037 CD1 PHE B 31 -9.900 -1.432 4.285 1.00 45.13 C ATOM 2038 CD2 PHE B 31 -7.874 -0.754 3.202 1.00 53.25 C ATOM 2039 CE1 PHE B 31 -10.032 -2.475 3.381 1.00 43.13 C ATOM 2040 CE2 PHE B 31 -8.016 -1.794 2.298 1.00 42.43 C ATOM 2041 CZ PHE B 31 -9.092 -2.653 2.389 1.00 15.22 C ATOM 0 H PHE B 31 -9.870 1.836 3.292 1.00 4.22 H new ATOM 0 HA PHE B 31 -10.736 0.779 5.867 1.00 52.43 H new ATOM 0 HB2 PHE B 31 -7.916 1.312 4.831 1.00 42.03 H new ATOM 0 HB3 PHE B 31 -8.367 0.263 6.160 1.00 42.03 H new ATOM 0 HD1 PHE B 31 -10.645 -1.298 5.055 1.00 45.13 H new ATOM 0 HD2 PHE B 31 -7.024 -0.092 3.123 1.00 53.25 H new ATOM 0 HE1 PHE B 31 -10.873 -3.149 3.454 1.00 43.13 H new ATOM 0 HE2 PHE B 31 -7.281 -1.933 1.519 1.00 42.43 H new ATOM 0 HZ PHE B 31 -9.197 -3.464 1.684 1.00 15.22 H new ATOM 2051 N ALA B 32 -9.453 3.796 5.619 1.00 12.11 N ATOM 2052 CA ALA B 32 -9.212 5.084 6.305 1.00 1.11 C ATOM 2053 C ALA B 32 -10.525 5.744 6.779 1.00 64.04 C ATOM 2054 O ALA B 32 -10.563 6.363 7.851 1.00 52.31 O ATOM 2055 CB ALA B 32 -8.454 6.036 5.367 1.00 4.30 C ATOM 0 H ALA B 32 -9.308 3.840 4.610 1.00 12.11 H new ATOM 0 HA ALA B 32 -8.611 4.880 7.191 1.00 1.11 H new ATOM 0 HB1 ALA B 32 -8.278 6.984 5.875 1.00 4.30 H new ATOM 0 HB2 ALA B 32 -7.499 5.590 5.090 1.00 4.30 H new ATOM 0 HB3 ALA B 32 -9.047 6.210 4.469 1.00 4.30 H new ATOM 2061 N ARG B 33 -11.601 5.587 5.974 1.00 24.22 N ATOM 2062 CA ARG B 33 -12.903 6.264 6.212 1.00 4.43 C ATOM 2063 C ARG B 33 -13.700 5.610 7.356 1.00 24.53 C ATOM 2064 O ARG B 33 -14.779 6.095 7.716 1.00 62.24 O ATOM 2065 CB ARG B 33 -13.743 6.288 4.906 1.00 3.32 C ATOM 2066 CG ARG B 33 -14.372 4.931 4.501 1.00 71.11 C ATOM 2067 CD ARG B 33 -14.895 4.910 3.051 1.00 63.40 C ATOM 2068 NE ARG B 33 -15.850 5.988 2.757 1.00 40.53 N ATOM 2069 CZ ARG B 33 -16.651 6.045 1.676 1.00 60.15 C ATOM 2070 NH1 ARG B 33 -16.640 5.077 0.758 1.00 44.42 N ATOM 2071 NH2 ARG B 33 -17.465 7.075 1.532 1.00 32.11 N ATOM 0 H ARG B 33 -11.595 4.992 5.146 1.00 24.22 H new ATOM 0 HA ARG B 33 -12.687 7.288 6.518 1.00 4.43 H new ATOM 0 HB2 ARG B 33 -14.542 7.021 5.020 1.00 3.32 H new ATOM 0 HB3 ARG B 33 -13.108 6.634 4.091 1.00 3.32 H new ATOM 0 HG2 ARG B 33 -13.629 4.143 4.623 1.00 71.11 H new ATOM 0 HG3 ARG B 33 -15.194 4.702 5.180 1.00 71.11 H new ATOM 0 HD2 ARG B 33 -14.050 4.987 2.367 1.00 63.40 H new ATOM 0 HD3 ARG B 33 -15.373 3.949 2.859 1.00 63.40 H new ATOM 0 HE ARG B 33 -15.911 6.755 3.426 1.00 40.53 H new ATOM 0 HH11 ARG B 33 -16.018 4.276 0.868 1.00 44.42 H new ATOM 0 HH12 ARG B 33 -17.254 5.137 -0.054 1.00 44.42 H new ATOM 0 HH21 ARG B 33 -17.481 7.814 2.235 1.00 32.11 H new ATOM 0 HH22 ARG B 33 -18.077 7.131 0.718 1.00 32.11 H new ATOM 2085 N ARG B 34 -13.175 4.498 7.898 1.00 14.52 N ATOM 2086 CA ARG B 34 -13.699 3.874 9.109 1.00 35.13 C ATOM 2087 C ARG B 34 -13.355 4.755 10.332 1.00 74.32 C ATOM 2088 O ARG B 34 -14.208 5.507 10.815 1.00 51.45 O ATOM 2089 CB ARG B 34 -13.114 2.439 9.257 1.00 70.01 C ATOM 2090 CG ARG B 34 -13.364 1.760 10.630 1.00 15.54 C ATOM 2091 CD ARG B 34 -12.556 0.464 10.789 1.00 74.53 C ATOM 2092 NE ARG B 34 -12.403 0.065 12.195 1.00 60.30 N ATOM 2093 CZ ARG B 34 -11.351 -0.604 12.689 1.00 63.43 C ATOM 2094 NH1 ARG B 34 -10.339 -0.959 11.907 1.00 2.51 N ATOM 2095 NH2 ARG B 34 -11.321 -0.902 13.974 1.00 2.34 N ATOM 0 H ARG B 34 -12.372 4.010 7.501 1.00 14.52 H new ATOM 0 HA ARG B 34 -14.784 3.788 9.045 1.00 35.13 H new ATOM 0 HB2 ARG B 34 -13.539 1.809 8.476 1.00 70.01 H new ATOM 0 HB3 ARG B 34 -12.039 2.483 9.082 1.00 70.01 H new ATOM 0 HG2 ARG B 34 -13.100 2.452 11.430 1.00 15.54 H new ATOM 0 HG3 ARG B 34 -14.426 1.540 10.737 1.00 15.54 H new ATOM 0 HD2 ARG B 34 -13.049 -0.337 10.239 1.00 74.53 H new ATOM 0 HD3 ARG B 34 -11.570 0.597 10.343 1.00 74.53 H new ATOM 0 HE ARG B 34 -13.151 0.315 12.842 1.00 60.30 H new ATOM 0 HH11 ARG B 34 -10.354 -0.723 10.915 1.00 2.51 H new ATOM 0 HH12 ARG B 34 -9.546 -1.468 12.298 1.00 2.51 H new ATOM 0 HH21 ARG B 34 -12.093 -0.624 14.580 1.00 2.34 H new ATOM 0 HH22 ARG B 34 -10.526 -1.411 14.361 1.00 2.34 H new ATOM 2109 N ALA B 35 -12.081 4.685 10.776 1.00 2.44 N ATOM 2110 CA ALA B 35 -11.599 5.334 12.018 1.00 52.31 C ATOM 2111 C ALA B 35 -10.125 4.983 12.243 1.00 65.15 C ATOM 2112 O ALA B 35 -9.278 5.859 12.442 1.00 41.34 O ATOM 2113 CB ALA B 35 -12.429 4.901 13.245 1.00 12.52 C ATOM 0 H ALA B 35 -11.352 4.173 10.280 1.00 2.44 H new ATOM 0 HA ALA B 35 -11.712 6.412 11.900 1.00 52.31 H new ATOM 0 HB1 ALA B 35 -12.046 5.397 14.137 1.00 12.52 H new ATOM 0 HB2 ALA B 35 -13.472 5.179 13.095 1.00 12.52 H new ATOM 0 HB3 ALA B 35 -12.356 3.821 13.371 1.00 12.52 H new ATOM 2119 N PHE B 36 -9.840 3.667 12.224 1.00 35.24 N ATOM 2120 CA PHE B 36 -8.492 3.121 12.477 1.00 0.43 C ATOM 2121 C PHE B 36 -7.786 2.859 11.132 1.00 60.12 C ATOM 2122 O PHE B 36 -8.409 2.365 10.182 1.00 73.02 O ATOM 2123 CB PHE B 36 -8.593 1.819 13.326 1.00 50.10 C ATOM 2124 CG PHE B 36 -7.245 1.269 13.815 1.00 15.42 C ATOM 2125 CD1 PHE B 36 -6.590 1.847 14.908 1.00 44.22 C ATOM 2126 CD2 PHE B 36 -6.630 0.187 13.183 1.00 1.01 C ATOM 2127 CE1 PHE B 36 -5.372 1.354 15.350 1.00 51.23 C ATOM 2128 CE2 PHE B 36 -5.414 -0.304 13.627 1.00 3.22 C ATOM 2129 CZ PHE B 36 -4.785 0.280 14.709 1.00 1.11 C ATOM 0 H PHE B 36 -10.540 2.950 12.032 1.00 35.24 H new ATOM 0 HA PHE B 36 -7.902 3.842 13.043 1.00 0.43 H new ATOM 0 HB2 PHE B 36 -9.227 2.013 14.191 1.00 50.10 H new ATOM 0 HB3 PHE B 36 -9.090 1.052 12.733 1.00 50.10 H new ATOM 0 HD1 PHE B 36 -7.039 2.689 15.414 1.00 44.22 H new ATOM 0 HD2 PHE B 36 -7.111 -0.275 12.333 1.00 1.01 H new ATOM 0 HE1 PHE B 36 -4.881 1.810 16.197 1.00 51.23 H new ATOM 0 HE2 PHE B 36 -4.957 -1.145 13.127 1.00 3.22 H new ATOM 0 HZ PHE B 36 -3.836 -0.102 15.054 1.00 1.11 H new ATOM 2139 N ASN B 37 -6.479 3.174 11.080 1.00 63.12 N ATOM 2140 CA ASN B 37 -5.665 3.113 9.848 1.00 63.33 C ATOM 2141 C ASN B 37 -4.922 1.775 9.756 1.00 70.44 C ATOM 2142 O ASN B 37 -4.832 1.032 10.739 1.00 2.42 O ATOM 2143 CB ASN B 37 -4.640 4.277 9.845 1.00 42.11 C ATOM 2144 CG ASN B 37 -5.283 5.653 10.042 1.00 44.54 C ATOM 2145 OD1 ASN B 37 -6.356 5.941 9.504 1.00 63.14 O ATOM 2146 ND2 ASN B 37 -4.648 6.505 10.837 1.00 20.34 N ATOM 0 H ASN B 37 -5.952 3.481 11.898 1.00 63.12 H new ATOM 0 HA ASN B 37 -6.328 3.203 8.988 1.00 63.33 H new ATOM 0 HB2 ASN B 37 -3.908 4.109 10.635 1.00 42.11 H new ATOM 0 HB3 ASN B 37 -4.096 4.270 8.900 1.00 42.11 H new ATOM 0 HD21 ASN B 37 -5.045 7.427 11.018 1.00 20.34 H new ATOM 0 HD22 ASN B 37 -3.763 6.238 11.267 1.00 20.34 H new ATOM 2153 N VAL B 38 -4.356 1.495 8.573 1.00 41.31 N ATOM 2154 CA VAL B 38 -3.627 0.245 8.311 1.00 21.31 C ATOM 2155 C VAL B 38 -2.209 0.311 8.917 1.00 55.03 C ATOM 2156 O VAL B 38 -1.562 1.364 8.885 1.00 12.04 O ATOM 2157 CB VAL B 38 -3.559 -0.072 6.766 1.00 42.44 C ATOM 2158 CG1 VAL B 38 -2.901 -1.442 6.509 1.00 31.25 C ATOM 2159 CG2 VAL B 38 -4.965 -0.013 6.122 1.00 25.12 C ATOM 0 H VAL B 38 -4.390 2.127 7.773 1.00 41.31 H new ATOM 0 HA VAL B 38 -4.174 -0.567 8.790 1.00 21.31 H new ATOM 0 HB VAL B 38 -2.940 0.694 6.299 1.00 42.44 H new ATOM 0 HG11 VAL B 38 -2.868 -1.634 5.437 1.00 31.25 H new ATOM 0 HG12 VAL B 38 -1.887 -1.439 6.909 1.00 31.25 H new ATOM 0 HG13 VAL B 38 -3.482 -2.223 6.999 1.00 31.25 H new ATOM 0 HG21 VAL B 38 -4.887 -0.235 5.058 1.00 25.12 H new ATOM 0 HG22 VAL B 38 -5.615 -0.746 6.600 1.00 25.12 H new ATOM 0 HG23 VAL B 38 -5.384 0.984 6.255 1.00 25.12 H new ATOM 2169 N GLU B 39 -1.760 -0.825 9.477 1.00 33.24 N ATOM 2170 CA GLU B 39 -0.455 -0.969 10.140 1.00 52.03 C ATOM 2171 C GLU B 39 0.616 -1.398 9.115 1.00 12.11 C ATOM 2172 O GLU B 39 1.711 -0.818 9.046 1.00 21.20 O ATOM 2173 CB GLU B 39 -0.592 -2.031 11.265 1.00 53.45 C ATOM 2174 CG GLU B 39 0.713 -2.364 12.016 1.00 12.02 C ATOM 2175 CD GLU B 39 0.589 -3.598 12.917 1.00 33.12 C ATOM 2176 OE1 GLU B 39 0.751 -4.731 12.409 1.00 22.22 O ATOM 2177 OE2 GLU B 39 0.332 -3.444 14.130 1.00 63.45 O ATOM 0 H GLU B 39 -2.306 -1.686 9.481 1.00 33.24 H new ATOM 0 HA GLU B 39 -0.145 -0.017 10.571 1.00 52.03 H new ATOM 0 HB2 GLU B 39 -1.328 -1.679 11.987 1.00 53.45 H new ATOM 0 HB3 GLU B 39 -0.986 -2.949 10.830 1.00 53.45 H new ATOM 0 HG2 GLU B 39 1.510 -2.529 11.291 1.00 12.02 H new ATOM 0 HG3 GLU B 39 1.005 -1.507 12.622 1.00 12.02 H new ATOM 2184 N GLY B 40 0.271 -2.427 8.318 1.00 13.42 N ATOM 2185 CA GLY B 40 1.189 -3.013 7.335 1.00 64.23 C ATOM 2186 C GLY B 40 0.489 -3.331 6.024 1.00 3.11 C ATOM 2187 O GLY B 40 -0.675 -3.717 6.022 1.00 1.12 O ATOM 0 H GLY B 40 -0.647 -2.870 8.340 1.00 13.42 H new ATOM 0 HA2 GLY B 40 2.011 -2.322 7.149 1.00 64.23 H new ATOM 0 HA3 GLY B 40 1.625 -3.924 7.744 1.00 64.23 H new ATOM 2191 N ILE B 41 1.201 -3.159 4.900 1.00 74.12 N ATOM 2192 CA ILE B 41 0.669 -3.385 3.537 1.00 1.21 C ATOM 2193 C ILE B 41 1.692 -4.206 2.741 1.00 51.33 C ATOM 2194 O ILE B 41 2.902 -4.076 2.960 1.00 20.12 O ATOM 2195 CB ILE B 41 0.369 -2.018 2.775 1.00 23.13 C ATOM 2196 CG1 ILE B 41 -0.645 -1.144 3.577 1.00 0.21 C ATOM 2197 CG2 ILE B 41 -0.133 -2.249 1.322 1.00 40.44 C ATOM 2198 CD1 ILE B 41 -1.024 0.178 2.928 1.00 74.34 C ATOM 0 H ILE B 41 2.175 -2.855 4.906 1.00 74.12 H new ATOM 0 HA ILE B 41 -0.276 -3.921 3.623 1.00 1.21 H new ATOM 0 HB ILE B 41 1.314 -1.480 2.706 1.00 23.13 H new ATOM 0 HG12 ILE B 41 -1.554 -1.725 3.735 1.00 0.21 H new ATOM 0 HG13 ILE B 41 -0.223 -0.938 4.561 1.00 0.21 H new ATOM 0 HG21 ILE B 41 -0.323 -1.287 0.846 1.00 40.44 H new ATOM 0 HG22 ILE B 41 0.626 -2.790 0.757 1.00 40.44 H new ATOM 0 HG23 ILE B 41 -1.054 -2.832 1.344 1.00 40.44 H new ATOM 0 HD11 ILE B 41 -1.732 0.707 3.566 1.00 74.34 H new ATOM 0 HD12 ILE B 41 -0.130 0.788 2.795 1.00 74.34 H new ATOM 0 HD13 ILE B 41 -1.482 -0.011 1.957 1.00 74.34 H new ATOM 2210 N LEU B 42 1.200 -5.054 1.828 1.00 65.32 N ATOM 2211 CA LEU B 42 2.042 -5.800 0.896 1.00 65.32 C ATOM 2212 C LEU B 42 1.289 -6.011 -0.426 1.00 1.34 C ATOM 2213 O LEU B 42 0.459 -6.909 -0.532 1.00 24.43 O ATOM 2214 CB LEU B 42 2.485 -7.163 1.501 1.00 11.22 C ATOM 2215 CG LEU B 42 3.300 -8.096 0.543 1.00 70.40 C ATOM 2216 CD1 LEU B 42 4.626 -7.454 0.094 1.00 52.51 C ATOM 2217 CD2 LEU B 42 3.532 -9.465 1.181 1.00 21.43 C ATOM 0 H LEU B 42 0.203 -5.239 1.718 1.00 65.32 H new ATOM 0 HA LEU B 42 2.944 -5.220 0.704 1.00 65.32 H new ATOM 0 HB2 LEU B 42 3.088 -6.968 2.388 1.00 11.22 H new ATOM 0 HB3 LEU B 42 1.596 -7.700 1.832 1.00 11.22 H new ATOM 0 HG LEU B 42 2.700 -8.238 -0.356 1.00 70.40 H new ATOM 0 HD11 LEU B 42 5.156 -8.138 -0.569 1.00 52.51 H new ATOM 0 HD12 LEU B 42 4.419 -6.524 -0.435 1.00 52.51 H new ATOM 0 HD13 LEU B 42 5.243 -7.245 0.968 1.00 52.51 H new ATOM 0 HD21 LEU B 42 4.100 -10.094 0.496 1.00 21.43 H new ATOM 0 HD22 LEU B 42 4.090 -9.344 2.110 1.00 21.43 H new ATOM 0 HD23 LEU B 42 2.572 -9.935 1.393 1.00 21.43 H new ATOM 2229 N CYS B 43 1.561 -5.158 -1.422 1.00 11.34 N ATOM 2230 CA CYS B 43 1.089 -5.375 -2.795 1.00 21.21 C ATOM 2231 C CYS B 43 2.126 -6.228 -3.518 1.00 4.41 C ATOM 2232 O CYS B 43 3.209 -5.745 -3.866 1.00 24.34 O ATOM 2233 CB CYS B 43 0.872 -4.044 -3.539 1.00 53.34 C ATOM 2234 SG CYS B 43 0.418 -4.234 -5.275 1.00 51.42 S ATOM 0 H CYS B 43 2.109 -4.306 -1.301 1.00 11.34 H new ATOM 0 HA CYS B 43 0.125 -5.882 -2.771 1.00 21.21 H new ATOM 0 HB2 CYS B 43 0.091 -3.479 -3.030 1.00 53.34 H new ATOM 0 HB3 CYS B 43 1.785 -3.452 -3.476 1.00 53.34 H new ATOM 0 HG CYS B 43 1.476 -4.094 -6.018 1.00 51.42 H new ATOM 2240 N LEU B 44 1.819 -7.518 -3.627 1.00 50.20 N ATOM 2241 CA LEU B 44 2.630 -8.493 -4.353 1.00 52.23 C ATOM 2242 C LEU B 44 2.141 -8.538 -5.815 1.00 34.32 C ATOM 2243 O LEU B 44 1.016 -9.007 -6.058 1.00 20.54 O ATOM 2244 CB LEU B 44 2.470 -9.882 -3.683 1.00 31.14 C ATOM 2245 CG LEU B 44 3.414 -11.022 -4.166 1.00 32.31 C ATOM 2246 CD1 LEU B 44 4.852 -10.805 -3.657 1.00 51.44 C ATOM 2247 CD2 LEU B 44 2.874 -12.406 -3.744 1.00 31.40 C ATOM 0 H LEU B 44 0.983 -7.923 -3.205 1.00 50.20 H new ATOM 0 HA LEU B 44 3.684 -8.214 -4.332 1.00 52.23 H new ATOM 0 HB2 LEU B 44 2.614 -9.757 -2.610 1.00 31.14 H new ATOM 0 HB3 LEU B 44 1.441 -10.211 -3.831 1.00 31.14 H new ATOM 0 HG LEU B 44 3.441 -10.994 -5.255 1.00 32.31 H new ATOM 0 HD11 LEU B 44 5.489 -11.616 -4.010 1.00 51.44 H new ATOM 0 HD12 LEU B 44 5.232 -9.855 -4.034 1.00 51.44 H new ATOM 0 HD13 LEU B 44 4.854 -10.790 -2.567 1.00 51.44 H new ATOM 0 HD21 LEU B 44 3.553 -13.184 -4.094 1.00 31.40 H new ATOM 0 HD22 LEU B 44 2.800 -12.452 -2.658 1.00 31.40 H new ATOM 0 HD23 LEU B 44 1.888 -12.561 -4.182 1.00 31.40 H new ATOM 2259 N PRO B 45 2.927 -8.001 -6.805 1.00 53.04 N ATOM 2260 CA PRO B 45 2.559 -8.096 -8.229 1.00 20.34 C ATOM 2261 C PRO B 45 2.596 -9.561 -8.694 1.00 62.13 C ATOM 2262 O PRO B 45 3.663 -10.198 -8.709 1.00 4.34 O ATOM 2263 CB PRO B 45 3.616 -7.223 -8.951 1.00 13.04 C ATOM 2264 CG PRO B 45 4.787 -7.181 -8.018 1.00 34.41 C ATOM 2265 CD PRO B 45 4.207 -7.260 -6.620 1.00 70.44 C ATOM 0 HA PRO B 45 1.546 -7.752 -8.439 1.00 20.34 H new ATOM 0 HB2 PRO B 45 3.893 -7.654 -9.913 1.00 13.04 H new ATOM 0 HB3 PRO B 45 3.233 -6.222 -9.149 1.00 13.04 H new ATOM 0 HG2 PRO B 45 5.467 -8.012 -8.206 1.00 34.41 H new ATOM 0 HG3 PRO B 45 5.360 -6.264 -8.152 1.00 34.41 H new ATOM 0 HD2 PRO B 45 4.877 -7.784 -5.938 1.00 70.44 H new ATOM 0 HD3 PRO B 45 4.038 -6.268 -6.201 1.00 70.44 H new ATOM 2273 N ILE B 46 1.411 -10.099 -9.005 1.00 64.22 N ATOM 2274 CA ILE B 46 1.262 -11.467 -9.492 1.00 3.22 C ATOM 2275 C ILE B 46 1.816 -11.535 -10.927 1.00 44.14 C ATOM 2276 O ILE B 46 1.194 -11.030 -11.858 1.00 4.54 O ATOM 2277 CB ILE B 46 -0.243 -11.929 -9.434 1.00 2.21 C ATOM 2278 CG1 ILE B 46 -0.830 -11.756 -7.986 1.00 23.02 C ATOM 2279 CG2 ILE B 46 -0.418 -13.383 -9.939 1.00 31.02 C ATOM 2280 CD1 ILE B 46 -0.104 -12.526 -6.885 1.00 64.33 C ATOM 0 H ILE B 46 0.529 -9.593 -8.924 1.00 64.22 H new ATOM 0 HA ILE B 46 1.823 -12.149 -8.853 1.00 3.22 H new ATOM 0 HB ILE B 46 -0.808 -11.284 -10.107 1.00 2.21 H new ATOM 0 HG12 ILE B 46 -0.818 -10.696 -7.732 1.00 23.02 H new ATOM 0 HG13 ILE B 46 -1.874 -12.069 -7.996 1.00 23.02 H new ATOM 0 HG21 ILE B 46 -1.470 -13.664 -9.883 1.00 31.02 H new ATOM 0 HG22 ILE B 46 -0.078 -13.453 -10.972 1.00 31.02 H new ATOM 0 HG23 ILE B 46 0.171 -14.057 -9.317 1.00 31.02 H new ATOM 0 HD11 ILE B 46 -0.590 -12.337 -5.928 1.00 64.33 H new ATOM 0 HD12 ILE B 46 -0.138 -13.593 -7.104 1.00 64.33 H new ATOM 0 HD13 ILE B 46 0.934 -12.199 -6.836 1.00 64.33 H new ATOM 2292 N GLN B 47 3.019 -12.121 -11.066 1.00 63.42 N ATOM 2293 CA GLN B 47 3.751 -12.209 -12.354 1.00 44.21 C ATOM 2294 C GLN B 47 3.000 -13.054 -13.401 1.00 23.02 C ATOM 2295 O GLN B 47 3.286 -12.971 -14.600 1.00 72.45 O ATOM 2296 CB GLN B 47 5.169 -12.800 -12.126 1.00 41.54 C ATOM 2297 CG GLN B 47 5.197 -14.252 -11.593 1.00 74.35 C ATOM 2298 CD GLN B 47 6.609 -14.841 -11.480 1.00 24.51 C ATOM 2299 OE1 GLN B 47 7.516 -14.480 -12.232 1.00 61.12 O ATOM 2300 NE2 GLN B 47 6.798 -15.775 -10.573 1.00 21.12 N ATOM 0 H GLN B 47 3.518 -12.551 -10.287 1.00 63.42 H new ATOM 0 HA GLN B 47 3.830 -11.195 -12.745 1.00 44.21 H new ATOM 0 HB2 GLN B 47 5.716 -12.765 -13.068 1.00 41.54 H new ATOM 0 HB3 GLN B 47 5.703 -12.161 -11.423 1.00 41.54 H new ATOM 0 HG2 GLN B 47 4.722 -14.279 -10.612 1.00 74.35 H new ATOM 0 HG3 GLN B 47 4.601 -14.883 -12.253 1.00 74.35 H new ATOM 0 HE21 GLN B 47 6.031 -16.056 -9.963 1.00 21.12 H new ATOM 0 HE22 GLN B 47 7.712 -16.218 -10.480 1.00 21.12 H new ATOM 2309 N ASP B 48 2.060 -13.875 -12.915 1.00 14.34 N ATOM 2310 CA ASP B 48 1.293 -14.815 -13.735 1.00 71.41 C ATOM 2311 C ASP B 48 0.323 -14.085 -14.696 1.00 60.30 C ATOM 2312 O ASP B 48 0.180 -14.476 -15.859 1.00 13.42 O ATOM 2313 CB ASP B 48 0.528 -15.782 -12.790 1.00 35.02 C ATOM 2314 CG ASP B 48 -0.361 -16.799 -13.525 1.00 73.51 C ATOM 2315 OD1 ASP B 48 0.136 -17.885 -13.892 1.00 53.13 O ATOM 2316 OD2 ASP B 48 -1.565 -16.522 -13.728 1.00 52.01 O ATOM 0 H ASP B 48 1.809 -13.903 -11.927 1.00 14.34 H new ATOM 0 HA ASP B 48 1.979 -15.381 -14.366 1.00 71.41 H new ATOM 0 HB2 ASP B 48 1.250 -16.322 -12.177 1.00 35.02 H new ATOM 0 HB3 ASP B 48 -0.092 -15.196 -12.111 1.00 35.02 H new ATOM 2321 N SER B 49 -0.335 -13.020 -14.192 1.00 73.24 N ATOM 2322 CA SER B 49 -1.369 -12.258 -14.943 1.00 71.35 C ATOM 2323 C SER B 49 -1.293 -10.749 -14.608 1.00 33.43 C ATOM 2324 O SER B 49 -0.512 -10.347 -13.751 1.00 75.41 O ATOM 2325 CB SER B 49 -2.776 -12.808 -14.613 1.00 10.35 C ATOM 2326 OG SER B 49 -2.913 -14.175 -14.980 1.00 71.34 O ATOM 0 H SER B 49 -0.168 -12.660 -13.253 1.00 73.24 H new ATOM 0 HA SER B 49 -1.180 -12.380 -16.009 1.00 71.35 H new ATOM 0 HB2 SER B 49 -2.967 -12.698 -13.545 1.00 10.35 H new ATOM 0 HB3 SER B 49 -3.528 -12.216 -15.134 1.00 10.35 H new ATOM 0 HG SER B 49 -2.364 -14.729 -14.387 1.00 71.34 H new ATOM 2332 N ASP B 50 -2.103 -9.910 -15.305 1.00 32.50 N ATOM 2333 CA ASP B 50 -2.170 -8.454 -15.031 1.00 12.52 C ATOM 2334 C ASP B 50 -3.000 -8.196 -13.752 1.00 61.13 C ATOM 2335 O ASP B 50 -4.183 -7.852 -13.793 1.00 21.44 O ATOM 2336 CB ASP B 50 -2.718 -7.664 -16.273 1.00 4.31 C ATOM 2337 CG ASP B 50 -4.149 -8.050 -16.713 1.00 14.34 C ATOM 2338 OD1 ASP B 50 -4.335 -9.186 -17.200 1.00 40.33 O ATOM 2339 OD2 ASP B 50 -5.093 -7.238 -16.544 1.00 70.40 O ATOM 0 H ASP B 50 -2.717 -10.218 -16.059 1.00 32.50 H new ATOM 0 HA ASP B 50 -1.162 -8.080 -14.853 1.00 12.52 H new ATOM 0 HB2 ASP B 50 -2.699 -6.598 -16.044 1.00 4.31 H new ATOM 0 HB3 ASP B 50 -2.041 -7.822 -17.113 1.00 4.31 H new ATOM 2344 N LYS B 51 -2.355 -8.428 -12.600 1.00 70.24 N ATOM 2345 CA LYS B 51 -2.974 -8.290 -11.276 1.00 24.02 C ATOM 2346 C LYS B 51 -1.912 -8.227 -10.176 1.00 64.34 C ATOM 2347 O LYS B 51 -0.754 -8.615 -10.370 1.00 74.44 O ATOM 2348 CB LYS B 51 -3.984 -9.452 -10.991 1.00 74.20 C ATOM 2349 CG LYS B 51 -3.427 -10.889 -11.189 1.00 70.22 C ATOM 2350 CD LYS B 51 -4.353 -11.993 -10.609 1.00 31.43 C ATOM 2351 CE LYS B 51 -5.788 -11.962 -11.173 1.00 10.54 C ATOM 2352 NZ LYS B 51 -5.840 -12.273 -12.622 1.00 34.40 N ATOM 0 H LYS B 51 -1.378 -8.720 -12.562 1.00 70.24 H new ATOM 0 HA LYS B 51 -3.529 -7.352 -11.275 1.00 24.02 H new ATOM 0 HB2 LYS B 51 -4.339 -9.357 -9.965 1.00 74.20 H new ATOM 0 HB3 LYS B 51 -4.850 -9.324 -11.641 1.00 74.20 H new ATOM 0 HG2 LYS B 51 -3.280 -11.071 -12.254 1.00 70.22 H new ATOM 0 HG3 LYS B 51 -2.448 -10.960 -10.715 1.00 70.22 H new ATOM 0 HD2 LYS B 51 -3.913 -12.969 -10.815 1.00 31.43 H new ATOM 0 HD3 LYS B 51 -4.396 -11.885 -9.525 1.00 31.43 H new ATOM 0 HE2 LYS B 51 -6.403 -12.679 -10.629 1.00 10.54 H new ATOM 0 HE3 LYS B 51 -6.220 -10.976 -11.001 1.00 10.54 H new ATOM 0 HZ1 LYS B 51 -6.827 -12.238 -12.949 1.00 34.40 H new ATOM 0 HZ2 LYS B 51 -5.276 -11.575 -13.147 1.00 34.40 H new ATOM 0 HZ3 LYS B 51 -5.454 -13.224 -12.787 1.00 34.40 H new ATOM 2366 N SER B 52 -2.344 -7.710 -9.026 1.00 41.10 N ATOM 2367 CA SER B 52 -1.555 -7.609 -7.805 1.00 23.11 C ATOM 2368 C SER B 52 -2.478 -7.924 -6.612 1.00 74.14 C ATOM 2369 O SER B 52 -3.607 -7.424 -6.548 1.00 53.42 O ATOM 2370 CB SER B 52 -0.965 -6.183 -7.684 1.00 1.52 C ATOM 2371 OG SER B 52 -0.160 -5.861 -8.812 1.00 2.44 O ATOM 0 H SER B 52 -3.287 -7.337 -8.918 1.00 41.10 H new ATOM 0 HA SER B 52 -0.726 -8.316 -7.821 1.00 23.11 H new ATOM 0 HB2 SER B 52 -1.774 -5.458 -7.593 1.00 1.52 H new ATOM 0 HB3 SER B 52 -0.368 -6.110 -6.775 1.00 1.52 H new ATOM 0 HG SER B 52 0.625 -5.353 -8.519 1.00 2.44 H new ATOM 2377 N HIS B 53 -2.016 -8.791 -5.705 1.00 55.34 N ATOM 2378 CA HIS B 53 -2.757 -9.153 -4.481 1.00 71.44 C ATOM 2379 C HIS B 53 -2.163 -8.343 -3.317 1.00 1.12 C ATOM 2380 O HIS B 53 -0.948 -8.328 -3.154 1.00 60.25 O ATOM 2381 CB HIS B 53 -2.632 -10.685 -4.239 1.00 70.51 C ATOM 2382 CG HIS B 53 -3.648 -11.272 -3.282 1.00 73.53 C ATOM 2383 ND1 HIS B 53 -4.605 -12.173 -3.679 1.00 24.21 N ATOM 2384 CD2 HIS B 53 -3.813 -11.142 -1.943 1.00 3.13 C ATOM 2385 CE1 HIS B 53 -5.310 -12.565 -2.642 1.00 60.34 C ATOM 2386 NE2 HIS B 53 -4.850 -11.963 -1.577 1.00 22.02 N ATOM 0 H HIS B 53 -1.117 -9.265 -5.794 1.00 55.34 H new ATOM 0 HA HIS B 53 -3.818 -8.920 -4.572 1.00 71.44 H new ATOM 0 HB2 HIS B 53 -2.722 -11.196 -5.197 1.00 70.51 H new ATOM 0 HB3 HIS B 53 -1.633 -10.896 -3.857 1.00 70.51 H new ATOM 0 HD2 HIS B 53 -3.235 -10.509 -1.286 1.00 3.13 H new ATOM 0 HE1 HIS B 53 -6.131 -13.266 -2.666 1.00 60.34 H new ATOM 0 HE2 HIS B 53 -5.204 -12.084 -0.628 1.00 22.02 H new ATOM 2395 N ILE B 54 -3.007 -7.648 -2.530 1.00 43.10 N ATOM 2396 CA ILE B 54 -2.544 -6.755 -1.452 1.00 22.12 C ATOM 2397 C ILE B 54 -3.008 -7.300 -0.088 1.00 13.21 C ATOM 2398 O ILE B 54 -4.203 -7.513 0.113 1.00 64.53 O ATOM 2399 CB ILE B 54 -3.047 -5.256 -1.619 1.00 23.05 C ATOM 2400 CG1 ILE B 54 -2.746 -4.656 -3.041 1.00 11.20 C ATOM 2401 CG2 ILE B 54 -2.415 -4.359 -0.529 1.00 20.42 C ATOM 2402 CD1 ILE B 54 -3.660 -5.126 -4.157 1.00 64.30 C ATOM 0 H ILE B 54 -4.022 -7.690 -2.623 1.00 43.10 H new ATOM 0 HA ILE B 54 -1.456 -6.736 -1.510 1.00 22.12 H new ATOM 0 HB ILE B 54 -4.131 -5.278 -1.507 1.00 23.05 H new ATOM 0 HG12 ILE B 54 -2.808 -3.570 -2.978 1.00 11.20 H new ATOM 0 HG13 ILE B 54 -1.718 -4.902 -3.309 1.00 11.20 H new ATOM 0 HG21 ILE B 54 -2.766 -3.334 -0.652 1.00 20.42 H new ATOM 0 HG22 ILE B 54 -2.704 -4.725 0.456 1.00 20.42 H new ATOM 0 HG23 ILE B 54 -1.329 -4.384 -0.622 1.00 20.42 H new ATOM 0 HD11 ILE B 54 -3.365 -4.652 -5.093 1.00 64.30 H new ATOM 0 HD12 ILE B 54 -3.583 -6.209 -4.259 1.00 64.30 H new ATOM 0 HD13 ILE B 54 -4.690 -4.856 -3.922 1.00 64.30 H new ATOM 2414 N TRP B 55 -2.044 -7.533 0.824 1.00 51.24 N ATOM 2415 CA TRP B 55 -2.303 -7.941 2.214 1.00 42.34 C ATOM 2416 C TRP B 55 -2.346 -6.693 3.109 1.00 64.02 C ATOM 2417 O TRP B 55 -1.325 -6.018 3.286 1.00 32.31 O ATOM 2418 CB TRP B 55 -1.192 -8.927 2.692 1.00 34.14 C ATOM 2419 CG TRP B 55 -1.279 -10.304 2.053 1.00 11.51 C ATOM 2420 CD1 TRP B 55 -1.780 -11.432 2.619 1.00 21.50 C ATOM 2421 CD2 TRP B 55 -0.865 -10.692 0.741 1.00 44.13 C ATOM 2422 NE1 TRP B 55 -1.743 -12.476 1.741 1.00 14.02 N ATOM 2423 CE2 TRP B 55 -1.171 -12.058 0.586 1.00 50.15 C ATOM 2424 CE3 TRP B 55 -0.276 -10.024 -0.310 1.00 71.15 C ATOM 2425 CZ2 TRP B 55 -0.906 -12.756 -0.584 1.00 12.41 C ATOM 2426 CZ3 TRP B 55 -0.010 -10.714 -1.463 1.00 35.11 C ATOM 2427 CH2 TRP B 55 -0.319 -12.066 -1.598 1.00 13.22 C ATOM 0 H TRP B 55 -1.051 -7.441 0.611 1.00 51.24 H new ATOM 0 HA TRP B 55 -3.264 -8.452 2.276 1.00 42.34 H new ATOM 0 HB2 TRP B 55 -0.216 -8.495 2.471 1.00 34.14 H new ATOM 0 HB3 TRP B 55 -1.255 -9.034 3.775 1.00 34.14 H new ATOM 0 HD1 TRP B 55 -2.157 -11.495 3.629 1.00 21.50 H new ATOM 0 HE1 TRP B 55 -2.090 -13.418 1.924 1.00 14.02 H new ATOM 0 HE3 TRP B 55 -0.029 -8.976 -0.226 1.00 71.15 H new ATOM 0 HZ2 TRP B 55 -1.155 -13.802 -0.685 1.00 12.41 H new ATOM 0 HZ3 TRP B 55 0.452 -10.196 -2.290 1.00 35.11 H new ATOM 0 HH2 TRP B 55 -0.089 -12.574 -2.523 1.00 13.22 H new ATOM 2438 N LEU B 56 -3.541 -6.370 3.629 1.00 21.24 N ATOM 2439 CA LEU B 56 -3.756 -5.240 4.549 1.00 34.11 C ATOM 2440 C LEU B 56 -3.820 -5.759 5.994 1.00 42.42 C ATOM 2441 O LEU B 56 -4.798 -6.396 6.389 1.00 52.32 O ATOM 2442 CB LEU B 56 -5.066 -4.459 4.209 1.00 22.32 C ATOM 2443 CG LEU B 56 -5.118 -3.693 2.838 1.00 51.23 C ATOM 2444 CD1 LEU B 56 -3.881 -2.797 2.633 1.00 61.20 C ATOM 2445 CD2 LEU B 56 -5.363 -4.640 1.635 1.00 11.41 C ATOM 0 H LEU B 56 -4.393 -6.890 3.421 1.00 21.24 H new ATOM 0 HA LEU B 56 -2.919 -4.550 4.437 1.00 34.11 H new ATOM 0 HB2 LEU B 56 -5.895 -5.167 4.231 1.00 22.32 H new ATOM 0 HB3 LEU B 56 -5.243 -3.736 5.005 1.00 22.32 H new ATOM 0 HG LEU B 56 -5.984 -3.033 2.885 1.00 51.23 H new ATOM 0 HD11 LEU B 56 -3.957 -2.286 1.673 1.00 61.20 H new ATOM 0 HD12 LEU B 56 -3.829 -2.060 3.434 1.00 61.20 H new ATOM 0 HD13 LEU B 56 -2.981 -3.411 2.647 1.00 61.20 H new ATOM 0 HD21 LEU B 56 -5.390 -4.058 0.714 1.00 11.41 H new ATOM 0 HD22 LEU B 56 -4.558 -5.372 1.579 1.00 11.41 H new ATOM 0 HD23 LEU B 56 -6.314 -5.156 1.766 1.00 11.41 H new ATOM 2457 N LEU B 57 -2.763 -5.487 6.754 1.00 70.15 N ATOM 2458 CA LEU B 57 -2.679 -5.796 8.185 1.00 23.31 C ATOM 2459 C LEU B 57 -3.280 -4.622 8.973 1.00 44.11 C ATOM 2460 O LEU B 57 -2.644 -3.581 9.134 1.00 25.25 O ATOM 2461 CB LEU B 57 -1.202 -6.053 8.609 1.00 72.22 C ATOM 2462 CG LEU B 57 -0.631 -7.490 8.364 1.00 73.44 C ATOM 2463 CD1 LEU B 57 -0.817 -7.969 6.905 1.00 51.43 C ATOM 2464 CD2 LEU B 57 0.848 -7.549 8.801 1.00 61.52 C ATOM 0 H LEU B 57 -1.923 -5.037 6.389 1.00 70.15 H new ATOM 0 HA LEU B 57 -3.240 -6.706 8.399 1.00 23.31 H new ATOM 0 HB2 LEU B 57 -0.569 -5.342 8.078 1.00 72.22 H new ATOM 0 HB3 LEU B 57 -1.111 -5.829 9.672 1.00 72.22 H new ATOM 0 HG LEU B 57 -1.207 -8.184 8.977 1.00 73.44 H new ATOM 0 HD11 LEU B 57 -0.402 -8.971 6.795 1.00 51.43 H new ATOM 0 HD12 LEU B 57 -1.879 -7.987 6.661 1.00 51.43 H new ATOM 0 HD13 LEU B 57 -0.301 -7.287 6.229 1.00 51.43 H new ATOM 0 HD21 LEU B 57 1.239 -8.552 8.628 1.00 61.52 H new ATOM 0 HD22 LEU B 57 1.427 -6.829 8.223 1.00 61.52 H new ATOM 0 HD23 LEU B 57 0.924 -7.308 9.861 1.00 61.52 H new ATOM 2476 N VAL B 58 -4.528 -4.803 9.402 1.00 70.32 N ATOM 2477 CA VAL B 58 -5.299 -3.809 10.169 1.00 3.12 C ATOM 2478 C VAL B 58 -6.270 -4.568 11.076 1.00 61.21 C ATOM 2479 O VAL B 58 -6.701 -5.647 10.704 1.00 65.51 O ATOM 2480 CB VAL B 58 -6.100 -2.843 9.200 1.00 53.34 C ATOM 2481 CG1 VAL B 58 -7.138 -3.598 8.323 1.00 15.45 C ATOM 2482 CG2 VAL B 58 -6.755 -1.669 9.971 1.00 61.34 C ATOM 0 H VAL B 58 -5.049 -5.662 9.225 1.00 70.32 H new ATOM 0 HA VAL B 58 -4.622 -3.193 10.761 1.00 3.12 H new ATOM 0 HB VAL B 58 -5.365 -2.419 8.516 1.00 53.34 H new ATOM 0 HG11 VAL B 58 -7.656 -2.887 7.680 1.00 15.45 H new ATOM 0 HG12 VAL B 58 -6.625 -4.337 7.708 1.00 15.45 H new ATOM 0 HG13 VAL B 58 -7.861 -4.100 8.966 1.00 15.45 H new ATOM 0 HG21 VAL B 58 -7.294 -1.030 9.272 1.00 61.34 H new ATOM 0 HG22 VAL B 58 -7.450 -2.063 10.712 1.00 61.34 H new ATOM 0 HG23 VAL B 58 -5.982 -1.087 10.472 1.00 61.34 H new ATOM 2492 N ASN B 59 -6.613 -4.045 12.265 1.00 4.41 N ATOM 2493 CA ASN B 59 -7.674 -4.677 13.075 1.00 53.33 C ATOM 2494 C ASN B 59 -9.033 -4.421 12.399 1.00 23.25 C ATOM 2495 O ASN B 59 -9.223 -3.369 11.781 1.00 42.14 O ATOM 2496 CB ASN B 59 -7.636 -4.230 14.572 1.00 33.35 C ATOM 2497 CG ASN B 59 -7.881 -2.739 14.870 1.00 3.31 C ATOM 2498 OD1 ASN B 59 -8.609 -2.034 14.169 1.00 31.13 O ATOM 2499 ND2 ASN B 59 -7.296 -2.255 15.957 1.00 53.53 N ATOM 0 H ASN B 59 -6.189 -3.214 12.678 1.00 4.41 H new ATOM 0 HA ASN B 59 -7.503 -5.753 13.111 1.00 53.33 H new ATOM 0 HB2 ASN B 59 -8.382 -4.810 15.116 1.00 33.35 H new ATOM 0 HB3 ASN B 59 -6.662 -4.500 14.980 1.00 33.35 H new ATOM 0 HD21 ASN B 59 -7.445 -1.283 16.226 1.00 53.53 H new ATOM 0 HD22 ASN B 59 -6.697 -2.855 16.524 1.00 53.53 H new ATOM 2506 N ASP B 60 -9.936 -5.409 12.433 1.00 43.22 N ATOM 2507 CA ASP B 60 -11.268 -5.282 11.821 1.00 44.12 C ATOM 2508 C ASP B 60 -12.265 -4.710 12.816 1.00 5.13 C ATOM 2509 O ASP B 60 -11.989 -4.605 14.013 1.00 3.11 O ATOM 2510 CB ASP B 60 -11.792 -6.642 11.279 1.00 1.22 C ATOM 2511 CG ASP B 60 -12.206 -7.630 12.391 1.00 41.13 C ATOM 2512 OD1 ASP B 60 -11.325 -8.129 13.113 1.00 61.32 O ATOM 2513 OD2 ASP B 60 -13.418 -7.896 12.547 1.00 52.31 O ATOM 0 H ASP B 60 -9.768 -6.310 12.880 1.00 43.22 H new ATOM 0 HA ASP B 60 -11.166 -4.599 10.978 1.00 44.12 H new ATOM 0 HB2 ASP B 60 -12.648 -6.460 10.629 1.00 1.22 H new ATOM 0 HB3 ASP B 60 -11.018 -7.102 10.665 1.00 1.22 H new ATOM 2518 N ASP B 61 -13.430 -4.370 12.293 1.00 63.45 N ATOM 2519 CA ASP B 61 -14.561 -3.867 13.065 1.00 60.33 C ATOM 2520 C ASP B 61 -15.834 -4.451 12.455 1.00 41.12 C ATOM 2521 O ASP B 61 -15.821 -4.884 11.289 1.00 53.42 O ATOM 2522 CB ASP B 61 -14.569 -2.317 13.024 1.00 4.13 C ATOM 2523 CG ASP B 61 -15.511 -1.677 14.051 1.00 32.10 C ATOM 2524 OD1 ASP B 61 -15.148 -1.621 15.246 1.00 52.21 O ATOM 2525 OD2 ASP B 61 -16.608 -1.234 13.671 1.00 50.13 O ATOM 0 H ASP B 61 -13.624 -4.437 11.294 1.00 63.45 H new ATOM 0 HA ASP B 61 -14.492 -4.166 14.111 1.00 60.33 H new ATOM 0 HB2 ASP B 61 -13.556 -1.953 13.197 1.00 4.13 H new ATOM 0 HB3 ASP B 61 -14.859 -1.990 12.025 1.00 4.13 H new ATOM 2530 N GLN B 62 -16.923 -4.463 13.233 1.00 43.13 N ATOM 2531 CA GLN B 62 -18.253 -4.882 12.747 1.00 53.22 C ATOM 2532 C GLN B 62 -18.680 -4.004 11.548 1.00 34.22 C ATOM 2533 O GLN B 62 -19.274 -4.492 10.579 1.00 24.53 O ATOM 2534 CB GLN B 62 -19.285 -4.796 13.905 1.00 50.13 C ATOM 2535 CG GLN B 62 -18.947 -5.691 15.118 1.00 73.31 C ATOM 2536 CD GLN B 62 -19.958 -5.569 16.261 1.00 20.23 C ATOM 2537 OE1 GLN B 62 -20.950 -6.295 16.309 1.00 64.34 O ATOM 2538 NE2 GLN B 62 -19.722 -4.645 17.181 1.00 2.14 N ATOM 0 H GLN B 62 -16.913 -4.185 14.214 1.00 43.13 H new ATOM 0 HA GLN B 62 -18.208 -5.916 12.406 1.00 53.22 H new ATOM 0 HB2 GLN B 62 -19.355 -3.761 14.239 1.00 50.13 H new ATOM 0 HB3 GLN B 62 -20.267 -5.075 13.524 1.00 50.13 H new ATOM 0 HG2 GLN B 62 -18.901 -6.730 14.792 1.00 73.31 H new ATOM 0 HG3 GLN B 62 -17.956 -5.429 15.489 1.00 73.31 H new ATOM 0 HE21 GLN B 62 -18.890 -4.059 17.113 1.00 2.14 H new ATOM 0 HE22 GLN B 62 -20.372 -4.520 17.957 1.00 2.14 H new ATOM 2547 N ARG B 63 -18.307 -2.715 11.628 1.00 14.31 N ATOM 2548 CA ARG B 63 -18.604 -1.704 10.604 1.00 53.42 C ATOM 2549 C ARG B 63 -17.621 -1.806 9.411 1.00 62.42 C ATOM 2550 O ARG B 63 -18.007 -1.498 8.291 1.00 13.33 O ATOM 2551 CB ARG B 63 -18.547 -0.284 11.231 1.00 12.45 C ATOM 2552 CG ARG B 63 -19.055 0.846 10.310 1.00 52.04 C ATOM 2553 CD ARG B 63 -18.890 2.246 10.930 1.00 75.05 C ATOM 2554 NE ARG B 63 -19.531 2.365 12.254 1.00 25.11 N ATOM 2555 CZ ARG B 63 -20.816 2.691 12.483 1.00 43.15 C ATOM 2556 NH1 ARG B 63 -21.663 2.935 11.484 1.00 24.02 N ATOM 2557 NH2 ARG B 63 -21.246 2.773 13.730 1.00 54.33 N ATOM 0 H ARG B 63 -17.782 -2.343 12.420 1.00 14.31 H new ATOM 0 HA ARG B 63 -19.609 -1.888 10.224 1.00 53.42 H new ATOM 0 HB2 ARG B 63 -19.138 -0.282 12.147 1.00 12.45 H new ATOM 0 HB3 ARG B 63 -17.517 -0.068 11.515 1.00 12.45 H new ATOM 0 HG2 ARG B 63 -18.515 0.807 9.364 1.00 52.04 H new ATOM 0 HG3 ARG B 63 -20.108 0.677 10.083 1.00 52.04 H new ATOM 0 HD2 ARG B 63 -17.828 2.474 11.024 1.00 75.05 H new ATOM 0 HD3 ARG B 63 -19.317 2.989 10.257 1.00 75.05 H new ATOM 0 HE ARG B 63 -18.946 2.184 13.070 1.00 25.11 H new ATOM 0 HH11 ARG B 63 -21.342 2.877 10.518 1.00 24.02 H new ATOM 0 HH12 ARG B 63 -22.632 3.180 11.686 1.00 24.02 H new ATOM 0 HH21 ARG B 63 -20.606 2.590 14.503 1.00 54.33 H new ATOM 0 HH22 ARG B 63 -22.218 3.019 13.919 1.00 54.33 H new ATOM 2571 N LEU B 64 -16.353 -2.250 9.664 1.00 42.13 N ATOM 2572 CA LEU B 64 -15.303 -2.366 8.601 1.00 50.23 C ATOM 2573 C LEU B 64 -15.787 -3.268 7.443 1.00 51.11 C ATOM 2574 O LEU B 64 -15.489 -3.016 6.272 1.00 61.41 O ATOM 2575 CB LEU B 64 -13.968 -2.957 9.152 1.00 21.54 C ATOM 2576 CG LEU B 64 -12.768 -3.036 8.114 1.00 11.02 C ATOM 2577 CD1 LEU B 64 -11.952 -1.733 8.060 1.00 45.13 C ATOM 2578 CD2 LEU B 64 -11.842 -4.241 8.365 1.00 21.10 C ATOM 0 H LEU B 64 -16.033 -2.533 10.591 1.00 42.13 H new ATOM 0 HA LEU B 64 -15.122 -1.353 8.242 1.00 50.23 H new ATOM 0 HB2 LEU B 64 -13.649 -2.354 10.002 1.00 21.54 H new ATOM 0 HB3 LEU B 64 -14.165 -3.961 9.529 1.00 21.54 H new ATOM 0 HG LEU B 64 -13.237 -3.179 7.140 1.00 11.02 H new ATOM 0 HD11 LEU B 64 -11.144 -1.839 7.336 1.00 45.13 H new ATOM 0 HD12 LEU B 64 -12.601 -0.909 7.762 1.00 45.13 H new ATOM 0 HD13 LEU B 64 -11.532 -1.526 9.044 1.00 45.13 H new ATOM 0 HD21 LEU B 64 -11.041 -4.244 7.626 1.00 21.10 H new ATOM 0 HD22 LEU B 64 -11.414 -4.169 9.365 1.00 21.10 H new ATOM 0 HD23 LEU B 64 -12.416 -5.164 8.282 1.00 21.10 H new ATOM 2590 N GLU B 65 -16.543 -4.319 7.810 1.00 13.24 N ATOM 2591 CA GLU B 65 -17.073 -5.314 6.861 1.00 54.33 C ATOM 2592 C GLU B 65 -18.075 -4.698 5.873 1.00 31.10 C ATOM 2593 O GLU B 65 -18.239 -5.213 4.773 1.00 12.01 O ATOM 2594 CB GLU B 65 -17.681 -6.517 7.614 1.00 42.21 C ATOM 2595 CG GLU B 65 -16.659 -7.257 8.504 1.00 75.44 C ATOM 2596 CD GLU B 65 -17.202 -8.578 9.074 1.00 0.31 C ATOM 2597 OE1 GLU B 65 -17.864 -8.550 10.134 1.00 35.31 O ATOM 2598 OE2 GLU B 65 -16.988 -9.644 8.454 1.00 21.02 O ATOM 0 H GLU B 65 -16.804 -4.502 8.779 1.00 13.24 H new ATOM 0 HA GLU B 65 -16.235 -5.676 6.265 1.00 54.33 H new ATOM 0 HB2 GLU B 65 -18.508 -6.169 8.233 1.00 42.21 H new ATOM 0 HB3 GLU B 65 -18.097 -7.218 6.890 1.00 42.21 H new ATOM 0 HG2 GLU B 65 -15.760 -7.461 7.922 1.00 75.44 H new ATOM 0 HG3 GLU B 65 -16.365 -6.606 9.328 1.00 75.44 H new ATOM 2605 N GLN B 66 -18.748 -3.610 6.287 1.00 42.41 N ATOM 2606 CA GLN B 66 -19.655 -2.834 5.404 1.00 64.14 C ATOM 2607 C GLN B 66 -18.851 -2.131 4.288 1.00 23.52 C ATOM 2608 O GLN B 66 -19.301 -2.060 3.135 1.00 50.13 O ATOM 2609 CB GLN B 66 -20.470 -1.794 6.224 1.00 61.43 C ATOM 2610 CG GLN B 66 -21.313 -2.401 7.372 1.00 4.01 C ATOM 2611 CD GLN B 66 -22.380 -3.420 6.922 1.00 44.24 C ATOM 2612 OE1 GLN B 66 -22.946 -3.327 5.832 1.00 1.11 O ATOM 2613 NE2 GLN B 66 -22.679 -4.394 7.766 1.00 20.15 N ATOM 0 H GLN B 66 -18.684 -3.241 7.236 1.00 42.41 H new ATOM 0 HA GLN B 66 -20.357 -3.529 4.942 1.00 64.14 H new ATOM 0 HB2 GLN B 66 -19.781 -1.061 6.644 1.00 61.43 H new ATOM 0 HB3 GLN B 66 -21.134 -1.256 5.547 1.00 61.43 H new ATOM 0 HG2 GLN B 66 -20.641 -2.888 8.079 1.00 4.01 H new ATOM 0 HG3 GLN B 66 -21.808 -1.591 7.908 1.00 4.01 H new ATOM 0 HE21 GLN B 66 -22.200 -4.455 8.664 1.00 20.15 H new ATOM 0 HE22 GLN B 66 -23.389 -5.084 7.518 1.00 20.15 H new ATOM 2622 N MET B 67 -17.649 -1.618 4.651 1.00 21.35 N ATOM 2623 CA MET B 67 -16.689 -1.037 3.680 1.00 34.00 C ATOM 2624 C MET B 67 -16.187 -2.125 2.709 1.00 31.55 C ATOM 2625 O MET B 67 -16.017 -1.859 1.516 1.00 63.22 O ATOM 2626 CB MET B 67 -15.469 -0.368 4.388 1.00 63.33 C ATOM 2627 CG MET B 67 -15.789 0.887 5.209 1.00 24.53 C ATOM 2628 SD MET B 67 -16.789 0.532 6.663 1.00 73.43 S ATOM 2629 CE MET B 67 -16.915 2.153 7.404 1.00 32.14 C ATOM 0 H MET B 67 -17.320 -1.595 5.616 1.00 21.35 H new ATOM 0 HA MET B 67 -17.221 -0.263 3.127 1.00 34.00 H new ATOM 0 HB2 MET B 67 -15.005 -1.103 5.046 1.00 63.33 H new ATOM 0 HB3 MET B 67 -14.730 -0.107 3.631 1.00 63.33 H new ATOM 0 HG2 MET B 67 -14.857 1.359 5.521 1.00 24.53 H new ATOM 0 HG3 MET B 67 -16.314 1.604 4.578 1.00 24.53 H new ATOM 0 HE1 MET B 67 -16.756 2.075 8.480 1.00 32.14 H new ATOM 0 HE2 MET B 67 -16.160 2.810 6.972 1.00 32.14 H new ATOM 0 HE3 MET B 67 -17.906 2.564 7.213 1.00 32.14 H new ATOM 2639 N ILE B 68 -15.955 -3.341 3.253 1.00 3.52 N ATOM 2640 CA ILE B 68 -15.515 -4.526 2.475 1.00 1.45 C ATOM 2641 C ILE B 68 -16.628 -4.967 1.485 1.00 0.51 C ATOM 2642 O ILE B 68 -16.351 -5.312 0.336 1.00 13.31 O ATOM 2643 CB ILE B 68 -15.109 -5.729 3.426 1.00 54.12 C ATOM 2644 CG1 ILE B 68 -13.981 -5.297 4.426 1.00 31.20 C ATOM 2645 CG2 ILE B 68 -14.670 -6.981 2.614 1.00 22.41 C ATOM 2646 CD1 ILE B 68 -13.621 -6.345 5.475 1.00 52.02 C ATOM 0 H ILE B 68 -16.068 -3.531 4.249 1.00 3.52 H new ATOM 0 HA ILE B 68 -14.630 -4.241 1.906 1.00 1.45 H new ATOM 0 HB ILE B 68 -15.994 -6.001 4.001 1.00 54.12 H new ATOM 0 HG12 ILE B 68 -13.085 -5.050 3.857 1.00 31.20 H new ATOM 0 HG13 ILE B 68 -14.296 -4.386 4.936 1.00 31.20 H new ATOM 0 HG21 ILE B 68 -14.400 -7.783 3.300 1.00 22.41 H new ATOM 0 HG22 ILE B 68 -15.492 -7.309 1.978 1.00 22.41 H new ATOM 0 HG23 ILE B 68 -13.810 -6.729 1.994 1.00 22.41 H new ATOM 0 HD11 ILE B 68 -12.833 -5.958 6.121 1.00 52.02 H new ATOM 0 HD12 ILE B 68 -14.501 -6.576 6.075 1.00 52.02 H new ATOM 0 HD13 ILE B 68 -13.271 -7.251 4.979 1.00 52.02 H new ATOM 2658 N SER B 69 -17.888 -4.889 1.952 1.00 3.44 N ATOM 2659 CA SER B 69 -19.088 -5.267 1.169 1.00 23.32 C ATOM 2660 C SER B 69 -19.378 -4.263 0.045 1.00 60.13 C ATOM 2661 O SER B 69 -20.038 -4.604 -0.939 1.00 35.11 O ATOM 2662 CB SER B 69 -20.313 -5.396 2.097 1.00 51.52 C ATOM 2663 OG SER B 69 -20.108 -6.419 3.059 1.00 30.01 O ATOM 0 H SER B 69 -18.108 -4.559 2.892 1.00 3.44 H new ATOM 0 HA SER B 69 -18.885 -6.232 0.704 1.00 23.32 H new ATOM 0 HB2 SER B 69 -20.495 -4.447 2.601 1.00 51.52 H new ATOM 0 HB3 SER B 69 -21.201 -5.618 1.506 1.00 51.52 H new ATOM 0 HG SER B 69 -19.471 -6.108 3.736 1.00 30.01 H new ATOM 2669 N GLN B 70 -18.947 -3.009 0.229 1.00 73.32 N ATOM 2670 CA GLN B 70 -19.125 -1.958 -0.778 1.00 21.24 C ATOM 2671 C GLN B 70 -17.986 -2.039 -1.814 1.00 31.22 C ATOM 2672 O GLN B 70 -18.241 -1.985 -3.024 1.00 20.01 O ATOM 2673 CB GLN B 70 -19.177 -0.564 -0.067 1.00 64.24 C ATOM 2674 CG GLN B 70 -19.559 0.660 -0.954 1.00 31.52 C ATOM 2675 CD GLN B 70 -18.443 1.191 -1.869 1.00 3.43 C ATOM 2676 OE1 GLN B 70 -18.708 1.695 -2.961 1.00 55.21 O ATOM 2677 NE2 GLN B 70 -17.192 1.112 -1.421 1.00 44.35 N ATOM 0 H GLN B 70 -18.469 -2.697 1.074 1.00 73.32 H new ATOM 0 HA GLN B 70 -20.066 -2.096 -1.311 1.00 21.24 H new ATOM 0 HB2 GLN B 70 -19.892 -0.627 0.753 1.00 64.24 H new ATOM 0 HB3 GLN B 70 -18.200 -0.371 0.376 1.00 64.24 H new ATOM 0 HG2 GLN B 70 -20.412 0.385 -1.574 1.00 31.52 H new ATOM 0 HG3 GLN B 70 -19.886 1.470 -0.302 1.00 31.52 H new ATOM 0 HE21 GLN B 70 -17.001 0.689 -0.512 1.00 44.35 H new ATOM 0 HE22 GLN B 70 -16.424 1.474 -1.986 1.00 44.35 H new ATOM 2686 N ILE B 71 -16.732 -2.198 -1.325 1.00 45.01 N ATOM 2687 CA ILE B 71 -15.524 -2.081 -2.169 1.00 75.15 C ATOM 2688 C ILE B 71 -15.472 -3.182 -3.235 1.00 13.34 C ATOM 2689 O ILE B 71 -15.208 -2.893 -4.395 1.00 42.22 O ATOM 2690 CB ILE B 71 -14.175 -2.082 -1.338 1.00 2.22 C ATOM 2691 CG1 ILE B 71 -12.949 -1.746 -2.254 1.00 23.14 C ATOM 2692 CG2 ILE B 71 -13.943 -3.412 -0.585 1.00 12.45 C ATOM 2693 CD1 ILE B 71 -11.600 -1.841 -1.565 1.00 15.51 C ATOM 0 H ILE B 71 -16.534 -2.408 -0.347 1.00 45.01 H new ATOM 0 HA ILE B 71 -15.607 -1.110 -2.656 1.00 75.15 H new ATOM 0 HB ILE B 71 -14.273 -1.300 -0.585 1.00 2.22 H new ATOM 0 HG12 ILE B 71 -12.954 -2.423 -3.108 1.00 23.14 H new ATOM 0 HG13 ILE B 71 -13.071 -0.737 -2.646 1.00 23.14 H new ATOM 0 HG21 ILE B 71 -13.005 -3.358 -0.032 1.00 12.45 H new ATOM 0 HG22 ILE B 71 -14.765 -3.585 0.110 1.00 12.45 H new ATOM 0 HG23 ILE B 71 -13.895 -4.232 -1.301 1.00 12.45 H new ATOM 0 HD11 ILE B 71 -10.811 -1.592 -2.274 1.00 15.51 H new ATOM 0 HD12 ILE B 71 -11.569 -1.143 -0.728 1.00 15.51 H new ATOM 0 HD13 ILE B 71 -11.450 -2.856 -1.197 1.00 15.51 H new ATOM 2705 N ASP B 72 -15.795 -4.433 -2.846 1.00 12.43 N ATOM 2706 CA ASP B 72 -15.619 -5.606 -3.725 1.00 41.55 C ATOM 2707 C ASP B 72 -16.486 -5.499 -4.993 1.00 4.44 C ATOM 2708 O ASP B 72 -16.135 -6.048 -6.030 1.00 23.25 O ATOM 2709 CB ASP B 72 -15.907 -6.917 -2.957 1.00 53.11 C ATOM 2710 CG ASP B 72 -17.403 -7.166 -2.687 1.00 63.31 C ATOM 2711 OD1 ASP B 72 -17.936 -6.614 -1.718 1.00 72.43 O ATOM 2712 OD2 ASP B 72 -18.055 -7.901 -3.464 1.00 3.34 O ATOM 0 H ASP B 72 -16.179 -4.656 -1.928 1.00 12.43 H new ATOM 0 HA ASP B 72 -14.578 -5.626 -4.047 1.00 41.55 H new ATOM 0 HB2 ASP B 72 -15.506 -7.756 -3.526 1.00 53.11 H new ATOM 0 HB3 ASP B 72 -15.375 -6.894 -2.006 1.00 53.11 H new ATOM 2717 N LYS B 73 -17.616 -4.769 -4.872 1.00 71.00 N ATOM 2718 CA LYS B 73 -18.581 -4.539 -5.967 1.00 51.35 C ATOM 2719 C LYS B 73 -17.962 -3.749 -7.142 1.00 32.33 C ATOM 2720 O LYS B 73 -18.446 -3.833 -8.277 1.00 5.41 O ATOM 2721 CB LYS B 73 -19.824 -3.786 -5.412 1.00 42.45 C ATOM 2722 CG LYS B 73 -20.507 -4.475 -4.210 1.00 60.43 C ATOM 2723 CD LYS B 73 -21.107 -5.849 -4.567 1.00 63.23 C ATOM 2724 CE LYS B 73 -21.696 -6.566 -3.346 1.00 50.54 C ATOM 2725 NZ LYS B 73 -20.650 -6.984 -2.379 1.00 73.20 N ATOM 0 H LYS B 73 -17.886 -4.317 -3.998 1.00 71.00 H new ATOM 0 HA LYS B 73 -18.876 -5.513 -6.358 1.00 51.35 H new ATOM 0 HB2 LYS B 73 -19.522 -2.782 -5.115 1.00 42.45 H new ATOM 0 HB3 LYS B 73 -20.554 -3.675 -6.214 1.00 42.45 H new ATOM 0 HG2 LYS B 73 -19.780 -4.599 -3.408 1.00 60.43 H new ATOM 0 HG3 LYS B 73 -21.296 -3.828 -3.827 1.00 60.43 H new ATOM 0 HD2 LYS B 73 -21.886 -5.718 -5.318 1.00 63.23 H new ATOM 0 HD3 LYS B 73 -20.334 -6.474 -5.014 1.00 63.23 H new ATOM 0 HE2 LYS B 73 -22.406 -5.906 -2.847 1.00 50.54 H new ATOM 0 HE3 LYS B 73 -22.254 -7.442 -3.676 1.00 50.54 H new ATOM 0 HZ1 LYS B 73 -21.077 -7.580 -1.641 1.00 73.20 H new ATOM 0 HZ2 LYS B 73 -19.913 -7.524 -2.876 1.00 73.20 H new ATOM 0 HZ3 LYS B 73 -20.226 -6.142 -1.941 1.00 73.20 H new ATOM 2739 N LEU B 74 -16.890 -2.978 -6.858 1.00 71.15 N ATOM 2740 CA LEU B 74 -16.174 -2.187 -7.880 1.00 32.21 C ATOM 2741 C LEU B 74 -15.235 -3.109 -8.696 1.00 3.41 C ATOM 2742 O LEU B 74 -14.724 -4.111 -8.174 1.00 74.10 O ATOM 2743 CB LEU B 74 -15.457 -0.934 -7.223 1.00 14.11 C ATOM 2744 CG LEU B 74 -13.885 -0.807 -7.264 1.00 62.31 C ATOM 2745 CD1 LEU B 74 -13.445 0.642 -6.945 1.00 71.42 C ATOM 2746 CD2 LEU B 74 -13.187 -1.788 -6.293 1.00 14.32 C ATOM 0 H LEU B 74 -16.499 -2.887 -5.920 1.00 71.15 H new ATOM 0 HA LEU B 74 -16.882 -1.767 -8.594 1.00 32.21 H new ATOM 0 HB2 LEU B 74 -15.866 -0.042 -7.698 1.00 14.11 H new ATOM 0 HB3 LEU B 74 -15.756 -0.903 -6.175 1.00 14.11 H new ATOM 0 HG LEU B 74 -13.578 -1.068 -8.277 1.00 62.31 H new ATOM 0 HD11 LEU B 74 -12.358 0.708 -6.979 1.00 71.42 H new ATOM 0 HD12 LEU B 74 -13.873 1.323 -7.681 1.00 71.42 H new ATOM 0 HD13 LEU B 74 -13.795 0.918 -5.950 1.00 71.42 H new ATOM 0 HD21 LEU B 74 -12.107 -1.660 -6.360 1.00 14.32 H new ATOM 0 HD22 LEU B 74 -13.514 -1.585 -5.273 1.00 14.32 H new ATOM 0 HD23 LEU B 74 -13.448 -2.812 -6.560 1.00 14.32 H new ATOM 2758 N GLU B 75 -15.018 -2.747 -9.973 1.00 42.42 N ATOM 2759 CA GLU B 75 -14.356 -3.614 -10.978 1.00 24.34 C ATOM 2760 C GLU B 75 -12.828 -3.724 -10.779 1.00 71.23 C ATOM 2761 O GLU B 75 -12.166 -4.512 -11.476 1.00 34.10 O ATOM 2762 CB GLU B 75 -14.679 -3.097 -12.400 1.00 71.32 C ATOM 2763 CG GLU B 75 -16.189 -3.056 -12.744 1.00 62.12 C ATOM 2764 CD GLU B 75 -16.518 -2.452 -14.125 1.00 34.24 C ATOM 2765 OE1 GLU B 75 -15.602 -2.257 -14.958 1.00 15.32 O ATOM 2766 OE2 GLU B 75 -17.711 -2.177 -14.385 1.00 41.42 O ATOM 0 H GLU B 75 -15.297 -1.839 -10.344 1.00 42.42 H new ATOM 0 HA GLU B 75 -14.753 -4.620 -10.844 1.00 24.34 H new ATOM 0 HB2 GLU B 75 -14.267 -2.094 -12.510 1.00 71.32 H new ATOM 0 HB3 GLU B 75 -14.171 -3.731 -13.127 1.00 71.32 H new ATOM 0 HG2 GLU B 75 -16.585 -4.071 -12.702 1.00 62.12 H new ATOM 0 HG3 GLU B 75 -16.707 -2.480 -11.977 1.00 62.12 H new ATOM 2773 N ASP B 76 -12.275 -2.932 -9.843 1.00 4.23 N ATOM 2774 CA ASP B 76 -10.850 -3.008 -9.480 1.00 33.24 C ATOM 2775 C ASP B 76 -10.575 -4.302 -8.700 1.00 54.24 C ATOM 2776 O ASP B 76 -9.700 -5.089 -9.080 1.00 23.10 O ATOM 2777 CB ASP B 76 -10.406 -1.772 -8.641 1.00 14.11 C ATOM 2778 CG ASP B 76 -10.567 -0.389 -9.316 1.00 62.51 C ATOM 2779 OD1 ASP B 76 -10.982 -0.308 -10.490 1.00 41.30 O ATOM 2780 OD2 ASP B 76 -10.271 0.634 -8.651 1.00 63.52 O ATOM 0 H ASP B 76 -12.798 -2.228 -9.322 1.00 4.23 H new ATOM 0 HA ASP B 76 -10.269 -3.010 -10.402 1.00 33.24 H new ATOM 0 HB2 ASP B 76 -10.976 -1.767 -7.712 1.00 14.11 H new ATOM 0 HB3 ASP B 76 -9.358 -1.901 -8.371 1.00 14.11 H new ATOM 2785 N VAL B 77 -11.361 -4.516 -7.626 1.00 71.11 N ATOM 2786 CA VAL B 77 -11.275 -5.715 -6.780 1.00 53.24 C ATOM 2787 C VAL B 77 -11.934 -6.906 -7.500 1.00 25.11 C ATOM 2788 O VAL B 77 -13.164 -6.975 -7.623 1.00 72.02 O ATOM 2789 CB VAL B 77 -11.931 -5.472 -5.359 1.00 62.01 C ATOM 2790 CG1 VAL B 77 -12.081 -6.777 -4.545 1.00 54.41 C ATOM 2791 CG2 VAL B 77 -11.118 -4.439 -4.547 1.00 1.43 C ATOM 0 H VAL B 77 -12.077 -3.855 -7.322 1.00 71.11 H new ATOM 0 HA VAL B 77 -10.223 -5.944 -6.610 1.00 53.24 H new ATOM 0 HB VAL B 77 -12.932 -5.081 -5.543 1.00 62.01 H new ATOM 0 HG11 VAL B 77 -12.536 -6.554 -3.580 1.00 54.41 H new ATOM 0 HG12 VAL B 77 -12.714 -7.476 -5.091 1.00 54.41 H new ATOM 0 HG13 VAL B 77 -11.099 -7.223 -4.389 1.00 54.41 H new ATOM 0 HG21 VAL B 77 -11.588 -4.289 -3.575 1.00 1.43 H new ATOM 0 HG22 VAL B 77 -10.101 -4.806 -4.406 1.00 1.43 H new ATOM 0 HG23 VAL B 77 -11.090 -3.492 -5.087 1.00 1.43 H new ATOM 2801 N VAL B 78 -11.084 -7.807 -8.009 1.00 54.20 N ATOM 2802 CA VAL B 78 -11.506 -9.060 -8.659 1.00 44.31 C ATOM 2803 C VAL B 78 -12.023 -10.037 -7.584 1.00 52.34 C ATOM 2804 O VAL B 78 -13.114 -10.608 -7.697 1.00 62.41 O ATOM 2805 CB VAL B 78 -10.311 -9.730 -9.452 1.00 74.32 C ATOM 2806 CG1 VAL B 78 -10.806 -10.891 -10.347 1.00 30.40 C ATOM 2807 CG2 VAL B 78 -9.518 -8.681 -10.270 1.00 43.34 C ATOM 0 H VAL B 78 -10.071 -7.687 -7.982 1.00 54.20 H new ATOM 0 HA VAL B 78 -12.297 -8.829 -9.373 1.00 44.31 H new ATOM 0 HB VAL B 78 -9.628 -10.155 -8.717 1.00 74.32 H new ATOM 0 HG11 VAL B 78 -9.960 -11.328 -10.877 1.00 30.40 H new ATOM 0 HG12 VAL B 78 -11.278 -11.653 -9.727 1.00 30.40 H new ATOM 0 HG13 VAL B 78 -11.529 -10.511 -11.069 1.00 30.40 H new ATOM 0 HG21 VAL B 78 -8.705 -9.174 -10.802 1.00 43.34 H new ATOM 0 HG22 VAL B 78 -10.183 -8.201 -10.988 1.00 43.34 H new ATOM 0 HG23 VAL B 78 -9.107 -7.929 -9.596 1.00 43.34 H new ATOM 2817 N LYS B 79 -11.199 -10.191 -6.530 1.00 63.42 N ATOM 2818 CA LYS B 79 -11.469 -11.064 -5.369 1.00 65.33 C ATOM 2819 C LYS B 79 -11.148 -10.298 -4.080 1.00 41.14 C ATOM 2820 O LYS B 79 -10.292 -9.412 -4.085 1.00 41.43 O ATOM 2821 CB LYS B 79 -10.603 -12.359 -5.413 1.00 50.35 C ATOM 2822 CG LYS B 79 -10.821 -13.255 -6.649 1.00 74.31 C ATOM 2823 CD LYS B 79 -9.979 -14.559 -6.605 1.00 62.32 C ATOM 2824 CE LYS B 79 -10.219 -15.458 -7.830 1.00 14.33 C ATOM 2825 NZ LYS B 79 -11.645 -15.854 -7.968 1.00 15.43 N ATOM 0 H LYS B 79 -10.307 -9.701 -6.459 1.00 63.42 H new ATOM 0 HA LYS B 79 -12.520 -11.352 -5.398 1.00 65.33 H new ATOM 0 HB2 LYS B 79 -9.551 -12.075 -5.371 1.00 50.35 H new ATOM 0 HB3 LYS B 79 -10.810 -12.946 -4.518 1.00 50.35 H new ATOM 0 HG2 LYS B 79 -11.877 -13.513 -6.723 1.00 74.31 H new ATOM 0 HG3 LYS B 79 -10.566 -12.694 -7.548 1.00 74.31 H new ATOM 0 HD2 LYS B 79 -8.921 -14.303 -6.548 1.00 62.32 H new ATOM 0 HD3 LYS B 79 -10.221 -15.114 -5.698 1.00 62.32 H new ATOM 0 HE2 LYS B 79 -9.901 -14.933 -8.731 1.00 14.33 H new ATOM 0 HE3 LYS B 79 -9.602 -16.353 -7.748 1.00 14.33 H new ATOM 0 HZ1 LYS B 79 -11.732 -16.589 -8.699 1.00 15.43 H new ATOM 0 HZ2 LYS B 79 -11.992 -16.225 -7.061 1.00 15.43 H new ATOM 0 HZ3 LYS B 79 -12.211 -15.025 -8.241 1.00 15.43 H new ATOM 2839 N VAL B 80 -11.827 -10.653 -2.981 1.00 75.23 N ATOM 2840 CA VAL B 80 -11.576 -10.058 -1.649 1.00 64.32 C ATOM 2841 C VAL B 80 -11.632 -11.156 -0.574 1.00 42.33 C ATOM 2842 O VAL B 80 -12.402 -12.121 -0.690 1.00 33.34 O ATOM 2843 CB VAL B 80 -12.591 -8.892 -1.312 1.00 33.13 C ATOM 2844 CG1 VAL B 80 -14.038 -9.411 -1.144 1.00 5.42 C ATOM 2845 CG2 VAL B 80 -12.123 -8.061 -0.082 1.00 65.23 C ATOM 0 H VAL B 80 -12.564 -11.358 -2.983 1.00 75.23 H new ATOM 0 HA VAL B 80 -10.581 -9.613 -1.663 1.00 64.32 H new ATOM 0 HB VAL B 80 -12.599 -8.219 -2.169 1.00 33.13 H new ATOM 0 HG11 VAL B 80 -14.700 -8.576 -0.914 1.00 5.42 H new ATOM 0 HG12 VAL B 80 -14.363 -9.887 -2.069 1.00 5.42 H new ATOM 0 HG13 VAL B 80 -14.072 -10.136 -0.331 1.00 5.42 H new ATOM 0 HG21 VAL B 80 -12.845 -7.270 0.119 1.00 65.23 H new ATOM 0 HG22 VAL B 80 -12.046 -8.712 0.789 1.00 65.23 H new ATOM 0 HG23 VAL B 80 -11.149 -7.619 -0.291 1.00 65.23 H new ATOM 2855 N GLN B 81 -10.784 -11.017 0.452 1.00 63.21 N ATOM 2856 CA GLN B 81 -10.728 -11.949 1.585 1.00 52.50 C ATOM 2857 C GLN B 81 -10.245 -11.187 2.834 1.00 5.52 C ATOM 2858 O GLN B 81 -9.462 -10.240 2.717 1.00 52.43 O ATOM 2859 CB GLN B 81 -9.786 -13.135 1.230 1.00 53.24 C ATOM 2860 CG GLN B 81 -9.710 -14.265 2.281 1.00 43.01 C ATOM 2861 CD GLN B 81 -8.810 -15.445 1.874 1.00 53.20 C ATOM 2862 OE1 GLN B 81 -9.070 -16.593 2.243 1.00 22.41 O ATOM 2863 NE2 GLN B 81 -7.734 -15.184 1.138 1.00 74.15 N ATOM 0 H GLN B 81 -10.114 -10.251 0.520 1.00 63.21 H new ATOM 0 HA GLN B 81 -11.715 -12.360 1.797 1.00 52.50 H new ATOM 0 HB2 GLN B 81 -10.114 -13.565 0.284 1.00 53.24 H new ATOM 0 HB3 GLN B 81 -8.781 -12.743 1.071 1.00 53.24 H new ATOM 0 HG2 GLN B 81 -9.343 -13.849 3.219 1.00 43.01 H new ATOM 0 HG3 GLN B 81 -10.716 -14.638 2.470 1.00 43.01 H new ATOM 0 HE21 GLN B 81 -7.537 -14.227 0.843 1.00 74.15 H new ATOM 0 HE22 GLN B 81 -7.105 -15.940 0.868 1.00 74.15 H new ATOM 2872 N ARG B 82 -10.745 -11.580 4.016 1.00 22.14 N ATOM 2873 CA ARG B 82 -10.285 -11.050 5.309 1.00 74.34 C ATOM 2874 C ARG B 82 -10.246 -12.210 6.321 1.00 61.24 C ATOM 2875 O ARG B 82 -11.221 -12.965 6.447 1.00 14.42 O ATOM 2876 CB ARG B 82 -11.181 -9.846 5.779 1.00 10.50 C ATOM 2877 CG ARG B 82 -12.689 -10.142 6.058 1.00 41.44 C ATOM 2878 CD ARG B 82 -12.981 -10.547 7.522 1.00 23.14 C ATOM 2879 NE ARG B 82 -14.384 -10.950 7.721 1.00 41.12 N ATOM 2880 CZ ARG B 82 -14.827 -12.216 7.820 1.00 21.24 C ATOM 2881 NH1 ARG B 82 -13.994 -13.246 7.738 1.00 42.23 N ATOM 2882 NH2 ARG B 82 -16.116 -12.437 8.012 1.00 74.24 N ATOM 0 H ARG B 82 -11.484 -12.278 4.102 1.00 22.14 H new ATOM 0 HA ARG B 82 -9.279 -10.641 5.218 1.00 74.34 H new ATOM 0 HB2 ARG B 82 -10.744 -9.435 6.689 1.00 10.50 H new ATOM 0 HB3 ARG B 82 -11.125 -9.067 5.019 1.00 10.50 H new ATOM 0 HG2 ARG B 82 -13.276 -9.257 5.811 1.00 41.44 H new ATOM 0 HG3 ARG B 82 -13.022 -10.941 5.396 1.00 41.44 H new ATOM 0 HD2 ARG B 82 -12.325 -11.370 7.807 1.00 23.14 H new ATOM 0 HD3 ARG B 82 -12.748 -9.711 8.181 1.00 23.14 H new ATOM 0 HE ARG B 82 -15.078 -10.206 7.789 1.00 41.12 H new ATOM 0 HH11 ARG B 82 -12.997 -13.085 7.597 1.00 42.23 H new ATOM 0 HH12 ARG B 82 -14.351 -14.198 7.816 1.00 42.23 H new ATOM 0 HH21 ARG B 82 -16.763 -11.652 8.083 1.00 74.24 H new ATOM 0 HH22 ARG B 82 -16.464 -13.393 8.089 1.00 74.24 H new ATOM 2896 N ASN B 83 -9.097 -12.375 6.994 1.00 62.23 N ATOM 2897 CA ASN B 83 -8.854 -13.461 7.967 1.00 3.12 C ATOM 2898 C ASN B 83 -7.908 -12.955 9.053 1.00 75.55 C ATOM 2899 O ASN B 83 -6.772 -12.626 8.747 1.00 33.14 O ATOM 2900 CB ASN B 83 -8.209 -14.700 7.267 1.00 1.52 C ATOM 2901 CG ASN B 83 -9.216 -15.571 6.519 1.00 4.01 C ATOM 2902 OD1 ASN B 83 -9.454 -15.381 5.328 1.00 33.44 O ATOM 2903 ND2 ASN B 83 -9.833 -16.525 7.213 1.00 30.12 N ATOM 0 H ASN B 83 -8.298 -11.752 6.879 1.00 62.23 H new ATOM 0 HA ASN B 83 -9.808 -13.761 8.401 1.00 3.12 H new ATOM 0 HB2 ASN B 83 -7.448 -14.356 6.567 1.00 1.52 H new ATOM 0 HB3 ASN B 83 -7.702 -15.307 8.017 1.00 1.52 H new ATOM 0 HD21 ASN B 83 -10.524 -17.121 6.757 1.00 30.12 H new ATOM 0 HD22 ASN B 83 -9.615 -16.659 8.200 1.00 30.12 H new ATOM 2910 N GLN B 84 -8.347 -12.971 10.321 1.00 41.12 N ATOM 2911 CA GLN B 84 -7.519 -12.492 11.445 1.00 74.31 C ATOM 2912 C GLN B 84 -6.612 -13.642 11.901 1.00 14.10 C ATOM 2913 O GLN B 84 -7.043 -14.580 12.568 1.00 42.44 O ATOM 2914 CB GLN B 84 -8.363 -11.892 12.631 1.00 31.54 C ATOM 2915 CG GLN B 84 -9.713 -12.566 12.964 1.00 3.42 C ATOM 2916 CD GLN B 84 -10.856 -12.157 12.020 1.00 31.02 C ATOM 2917 OE1 GLN B 84 -11.145 -12.824 11.028 1.00 50.10 O ATOM 2918 NE2 GLN B 84 -11.481 -11.031 12.299 1.00 24.24 N ATOM 0 H GLN B 84 -9.269 -13.309 10.596 1.00 41.12 H new ATOM 0 HA GLN B 84 -6.910 -11.658 11.097 1.00 74.31 H new ATOM 0 HB2 GLN B 84 -7.745 -11.917 13.529 1.00 31.54 H new ATOM 0 HB3 GLN B 84 -8.558 -10.843 12.407 1.00 31.54 H new ATOM 0 HG2 GLN B 84 -9.589 -13.648 12.923 1.00 3.42 H new ATOM 0 HG3 GLN B 84 -9.992 -12.316 13.988 1.00 3.42 H new ATOM 0 HE21 GLN B 84 -11.222 -10.496 13.128 1.00 24.24 H new ATOM 0 HE22 GLN B 84 -12.223 -10.694 11.686 1.00 24.24 H new ATOM 2927 N SER B 85 -5.359 -13.562 11.442 1.00 31.43 N ATOM 2928 CA SER B 85 -4.339 -14.592 11.617 1.00 72.31 C ATOM 2929 C SER B 85 -2.999 -13.903 11.933 1.00 21.10 C ATOM 2930 O SER B 85 -2.938 -12.663 12.034 1.00 62.43 O ATOM 2931 CB SER B 85 -4.266 -15.463 10.327 1.00 31.32 C ATOM 2932 OG SER B 85 -3.401 -16.578 10.481 1.00 33.30 O ATOM 0 H SER B 85 -5.020 -12.752 10.923 1.00 31.43 H new ATOM 0 HA SER B 85 -4.583 -15.256 12.446 1.00 72.31 H new ATOM 0 HB2 SER B 85 -5.266 -15.814 10.070 1.00 31.32 H new ATOM 0 HB3 SER B 85 -3.920 -14.849 9.495 1.00 31.32 H new ATOM 0 HG SER B 85 -3.386 -17.098 9.650 1.00 33.30 H new ATOM 2938 N ASP B 86 -1.940 -14.711 12.089 1.00 2.10 N ATOM 2939 CA ASP B 86 -0.609 -14.235 12.498 1.00 1.40 C ATOM 2940 C ASP B 86 -0.032 -13.293 11.410 1.00 20.02 C ATOM 2941 O ASP B 86 -0.074 -13.638 10.222 1.00 63.44 O ATOM 2942 CB ASP B 86 0.339 -15.451 12.730 1.00 43.10 C ATOM 2943 CG ASP B 86 1.592 -15.106 13.557 1.00 70.24 C ATOM 2944 OD1 ASP B 86 2.428 -14.312 13.094 1.00 61.53 O ATOM 2945 OD2 ASP B 86 1.750 -15.631 14.682 1.00 23.13 O ATOM 0 H ASP B 86 -1.982 -15.718 11.934 1.00 2.10 H new ATOM 0 HA ASP B 86 -0.694 -13.678 13.431 1.00 1.40 H new ATOM 0 HB2 ASP B 86 -0.215 -16.241 13.237 1.00 43.10 H new ATOM 0 HB3 ASP B 86 0.650 -15.849 11.764 1.00 43.10 H new ATOM 2950 N PRO B 87 0.495 -12.081 11.796 1.00 3.23 N ATOM 2951 CA PRO B 87 1.072 -11.098 10.837 1.00 30.24 C ATOM 2952 C PRO B 87 2.186 -11.668 9.919 1.00 1.33 C ATOM 2953 O PRO B 87 2.373 -11.152 8.818 1.00 62.42 O ATOM 2954 CB PRO B 87 1.601 -9.951 11.751 1.00 61.14 C ATOM 2955 CG PRO B 87 1.631 -10.528 13.137 1.00 32.12 C ATOM 2956 CD PRO B 87 0.516 -11.539 13.181 1.00 62.30 C ATOM 0 HA PRO B 87 0.320 -10.770 10.120 1.00 30.24 H new ATOM 0 HB2 PRO B 87 2.594 -9.626 11.439 1.00 61.14 H new ATOM 0 HB3 PRO B 87 0.950 -9.078 11.703 1.00 61.14 H new ATOM 0 HG2 PRO B 87 2.593 -10.996 13.345 1.00 32.12 H new ATOM 0 HG3 PRO B 87 1.485 -9.751 13.888 1.00 32.12 H new ATOM 0 HD2 PRO B 87 0.709 -12.320 13.916 1.00 62.30 H new ATOM 0 HD3 PRO B 87 -0.435 -11.078 13.448 1.00 62.30 H new ATOM 2964 N THR B 88 2.873 -12.766 10.347 1.00 54.31 N ATOM 2965 CA THR B 88 3.968 -13.412 9.564 1.00 22.23 C ATOM 2966 C THR B 88 3.503 -13.966 8.194 1.00 61.31 C ATOM 2967 O THR B 88 4.336 -14.421 7.398 1.00 14.53 O ATOM 2968 CB THR B 88 4.654 -14.561 10.379 1.00 74.02 C ATOM 2969 OG1 THR B 88 3.667 -15.504 10.819 1.00 71.13 O ATOM 2970 CG2 THR B 88 5.441 -14.030 11.596 1.00 20.31 C ATOM 0 H THR B 88 2.685 -13.225 11.238 1.00 54.31 H new ATOM 0 HA THR B 88 4.688 -12.617 9.370 1.00 22.23 H new ATOM 0 HB THR B 88 5.367 -15.047 9.713 1.00 74.02 H new ATOM 0 HG1 THR B 88 3.193 -15.142 11.597 1.00 71.13 H new ATOM 0 HG21 THR B 88 5.897 -14.865 12.127 1.00 20.31 H new ATOM 0 HG22 THR B 88 6.220 -13.347 11.256 1.00 20.31 H new ATOM 0 HG23 THR B 88 4.762 -13.501 12.266 1.00 20.31 H new ATOM 2978 N MET B 89 2.174 -13.934 7.944 1.00 62.41 N ATOM 2979 CA MET B 89 1.585 -14.190 6.621 1.00 34.44 C ATOM 2980 C MET B 89 2.259 -13.317 5.540 1.00 31.22 C ATOM 2981 O MET B 89 2.656 -13.849 4.503 1.00 73.22 O ATOM 2982 CB MET B 89 0.055 -13.932 6.646 1.00 14.55 C ATOM 2983 CG MET B 89 -0.649 -14.099 5.283 1.00 0.30 C ATOM 2984 SD MET B 89 -0.460 -15.755 4.597 1.00 63.52 S ATOM 2985 CE MET B 89 -1.318 -15.627 3.022 1.00 31.11 C ATOM 0 H MET B 89 1.481 -13.728 8.663 1.00 62.41 H new ATOM 0 HA MET B 89 1.757 -15.237 6.372 1.00 34.44 H new ATOM 0 HB2 MET B 89 -0.403 -14.614 7.362 1.00 14.55 H new ATOM 0 HB3 MET B 89 -0.123 -12.920 7.010 1.00 14.55 H new ATOM 0 HG2 MET B 89 -1.710 -13.877 5.398 1.00 0.30 H new ATOM 0 HG3 MET B 89 -0.245 -13.371 4.579 1.00 0.30 H new ATOM 0 HE1 MET B 89 -1.396 -16.615 2.569 1.00 31.11 H new ATOM 0 HE2 MET B 89 -2.317 -15.222 3.184 1.00 31.11 H new ATOM 0 HE3 MET B 89 -0.762 -14.966 2.357 1.00 31.11 H new ATOM 2995 N PHE B 90 2.425 -11.983 5.824 1.00 54.15 N ATOM 2996 CA PHE B 90 2.987 -11.016 4.840 1.00 35.04 C ATOM 2997 C PHE B 90 4.412 -11.448 4.432 1.00 23.41 C ATOM 2998 O PHE B 90 4.769 -11.401 3.260 1.00 71.25 O ATOM 2999 CB PHE B 90 2.963 -9.518 5.360 1.00 44.20 C ATOM 3000 CG PHE B 90 4.205 -9.027 6.150 1.00 51.22 C ATOM 3001 CD1 PHE B 90 5.299 -8.434 5.489 1.00 23.34 C ATOM 3002 CD2 PHE B 90 4.291 -9.167 7.535 1.00 64.45 C ATOM 3003 CE1 PHE B 90 6.421 -8.015 6.190 1.00 42.04 C ATOM 3004 CE2 PHE B 90 5.412 -8.741 8.233 1.00 41.24 C ATOM 3005 CZ PHE B 90 6.476 -8.170 7.559 1.00 0.25 C ATOM 0 H PHE B 90 2.177 -11.564 6.721 1.00 54.15 H new ATOM 0 HA PHE B 90 2.343 -11.035 3.961 1.00 35.04 H new ATOM 0 HB2 PHE B 90 2.828 -8.863 4.499 1.00 44.20 H new ATOM 0 HB3 PHE B 90 2.086 -9.394 5.996 1.00 44.20 H new ATOM 0 HD1 PHE B 90 5.264 -8.303 4.418 1.00 23.34 H new ATOM 0 HD2 PHE B 90 3.470 -9.615 8.074 1.00 64.45 H new ATOM 0 HE1 PHE B 90 7.251 -7.568 5.663 1.00 42.04 H new ATOM 0 HE2 PHE B 90 5.454 -8.856 9.306 1.00 41.24 H new ATOM 0 HZ PHE B 90 7.350 -7.846 8.105 1.00 0.25 H new ATOM 3015 N ASN B 91 5.194 -11.913 5.423 1.00 60.22 N ATOM 3016 CA ASN B 91 6.577 -12.361 5.214 1.00 3.02 C ATOM 3017 C ASN B 91 6.603 -13.637 4.343 1.00 14.12 C ATOM 3018 O ASN B 91 7.414 -13.743 3.424 1.00 54.53 O ATOM 3019 CB ASN B 91 7.263 -12.606 6.587 1.00 11.00 C ATOM 3020 CG ASN B 91 8.735 -13.034 6.485 1.00 54.01 C ATOM 3021 OD1 ASN B 91 9.446 -12.670 5.553 1.00 34.54 O ATOM 3022 ND2 ASN B 91 9.200 -13.803 7.456 1.00 35.24 N ATOM 0 H ASN B 91 4.882 -11.988 6.391 1.00 60.22 H new ATOM 0 HA ASN B 91 7.130 -11.585 4.685 1.00 3.02 H new ATOM 0 HB2 ASN B 91 7.201 -11.693 7.180 1.00 11.00 H new ATOM 0 HB3 ASN B 91 6.709 -13.374 7.126 1.00 11.00 H new ATOM 0 HD21 ASN B 91 10.173 -14.109 7.443 1.00 35.24 H new ATOM 0 HD22 ASN B 91 8.586 -14.090 8.218 1.00 35.24 H new ATOM 3029 N LYS B 92 5.661 -14.561 4.624 1.00 43.02 N ATOM 3030 CA LYS B 92 5.596 -15.895 3.985 1.00 14.20 C ATOM 3031 C LYS B 92 5.551 -15.811 2.437 1.00 22.32 C ATOM 3032 O LYS B 92 6.385 -16.430 1.750 1.00 25.34 O ATOM 3033 CB LYS B 92 4.372 -16.693 4.529 1.00 62.51 C ATOM 3034 CG LYS B 92 4.232 -18.140 3.981 1.00 1.40 C ATOM 3035 CD LYS B 92 5.446 -19.042 4.326 1.00 62.01 C ATOM 3036 CE LYS B 92 5.303 -20.475 3.777 1.00 41.21 C ATOM 3037 NZ LYS B 92 5.179 -20.512 2.292 1.00 20.54 N ATOM 0 H LYS B 92 4.918 -14.403 5.305 1.00 43.02 H new ATOM 0 HA LYS B 92 6.514 -16.423 4.244 1.00 14.20 H new ATOM 0 HB2 LYS B 92 4.441 -16.738 5.616 1.00 62.51 H new ATOM 0 HB3 LYS B 92 3.463 -16.141 4.290 1.00 62.51 H new ATOM 0 HG2 LYS B 92 3.326 -18.590 4.387 1.00 1.40 H new ATOM 0 HG3 LYS B 92 4.111 -18.102 2.898 1.00 1.40 H new ATOM 0 HD2 LYS B 92 6.353 -18.592 3.922 1.00 62.01 H new ATOM 0 HD3 LYS B 92 5.566 -19.083 5.409 1.00 62.01 H new ATOM 0 HE2 LYS B 92 6.169 -21.064 4.080 1.00 41.21 H new ATOM 0 HE3 LYS B 92 4.426 -20.945 4.223 1.00 41.21 H new ATOM 0 HZ1 LYS B 92 5.188 -21.500 1.967 1.00 20.54 H new ATOM 0 HZ2 LYS B 92 4.286 -20.062 2.007 1.00 20.54 H new ATOM 0 HZ3 LYS B 92 5.977 -20.000 1.864 1.00 20.54 H new ATOM 3051 N ILE B 93 4.590 -15.029 1.894 1.00 41.14 N ATOM 3052 CA ILE B 93 4.433 -14.886 0.429 1.00 42.02 C ATOM 3053 C ILE B 93 5.464 -13.903 -0.160 1.00 54.34 C ATOM 3054 O ILE B 93 5.790 -14.007 -1.338 1.00 20.25 O ATOM 3055 CB ILE B 93 2.980 -14.479 -0.043 1.00 14.44 C ATOM 3056 CG1 ILE B 93 2.614 -13.002 0.313 1.00 23.34 C ATOM 3057 CG2 ILE B 93 1.908 -15.463 0.498 1.00 4.42 C ATOM 3058 CD1 ILE B 93 2.141 -12.758 1.728 1.00 22.52 C ATOM 0 H ILE B 93 3.918 -14.492 2.442 1.00 41.14 H new ATOM 0 HA ILE B 93 4.614 -15.888 0.041 1.00 42.02 H new ATOM 0 HB ILE B 93 2.987 -14.546 -1.131 1.00 14.44 H new ATOM 0 HG12 ILE B 93 3.489 -12.378 0.131 1.00 23.34 H new ATOM 0 HG13 ILE B 93 1.835 -12.667 -0.372 1.00 23.34 H new ATOM 0 HG21 ILE B 93 0.922 -15.152 0.154 1.00 4.42 H new ATOM 0 HG22 ILE B 93 2.120 -16.468 0.133 1.00 4.42 H new ATOM 0 HG23 ILE B 93 1.929 -15.461 1.588 1.00 4.42 H new ATOM 0 HD11 ILE B 93 1.916 -11.699 1.859 1.00 22.52 H new ATOM 0 HD12 ILE B 93 1.243 -13.346 1.918 1.00 22.52 H new ATOM 0 HD13 ILE B 93 2.922 -13.053 2.429 1.00 22.52 H new ATOM 3070 N ALA B 94 5.937 -12.932 0.657 1.00 45.13 N ATOM 3071 CA ALA B 94 6.934 -11.921 0.221 1.00 1.41 C ATOM 3072 C ALA B 94 8.257 -12.580 -0.203 1.00 32.21 C ATOM 3073 O ALA B 94 8.862 -12.186 -1.213 1.00 21.41 O ATOM 3074 CB ALA B 94 7.187 -10.888 1.329 1.00 44.30 C ATOM 0 H ALA B 94 5.643 -12.826 1.628 1.00 45.13 H new ATOM 0 HA ALA B 94 6.519 -11.408 -0.647 1.00 1.41 H new ATOM 0 HB1 ALA B 94 7.921 -10.159 0.986 1.00 44.30 H new ATOM 0 HB2 ALA B 94 6.254 -10.378 1.571 1.00 44.30 H new ATOM 0 HB3 ALA B 94 7.566 -11.393 2.218 1.00 44.30 H new ATOM 3080 N VAL B 95 8.686 -13.595 0.578 1.00 31.11 N ATOM 3081 CA VAL B 95 9.904 -14.374 0.275 1.00 34.33 C ATOM 3082 C VAL B 95 9.681 -15.221 -0.983 1.00 11.44 C ATOM 3083 O VAL B 95 10.512 -15.239 -1.899 1.00 63.13 O ATOM 3084 CB VAL B 95 10.329 -15.327 1.459 1.00 62.12 C ATOM 3085 CG1 VAL B 95 11.679 -16.031 1.160 1.00 33.15 C ATOM 3086 CG2 VAL B 95 10.389 -14.573 2.798 1.00 3.35 C ATOM 0 H VAL B 95 8.204 -13.894 1.426 1.00 31.11 H new ATOM 0 HA VAL B 95 10.707 -13.653 0.121 1.00 34.33 H new ATOM 0 HB VAL B 95 9.561 -16.096 1.546 1.00 62.12 H new ATOM 0 HG11 VAL B 95 11.944 -16.680 1.995 1.00 33.15 H new ATOM 0 HG12 VAL B 95 11.585 -16.627 0.252 1.00 33.15 H new ATOM 0 HG13 VAL B 95 12.458 -15.281 1.023 1.00 33.15 H new ATOM 0 HG21 VAL B 95 10.685 -15.261 3.590 1.00 3.35 H new ATOM 0 HG22 VAL B 95 11.117 -13.765 2.728 1.00 3.35 H new ATOM 0 HG23 VAL B 95 9.407 -14.158 3.026 1.00 3.35 H new ATOM 3096 N PHE B 96 8.516 -15.894 -1.014 1.00 3.52 N ATOM 3097 CA PHE B 96 8.164 -16.863 -2.065 1.00 32.32 C ATOM 3098 C PHE B 96 7.735 -16.144 -3.361 1.00 1.45 C ATOM 3099 O PHE B 96 7.624 -16.784 -4.414 1.00 24.43 O ATOM 3100 CB PHE B 96 7.037 -17.799 -1.542 1.00 65.04 C ATOM 3101 CG PHE B 96 6.872 -19.109 -2.321 1.00 13.23 C ATOM 3102 CD1 PHE B 96 7.841 -20.113 -2.239 1.00 74.14 C ATOM 3103 CD2 PHE B 96 5.756 -19.346 -3.117 1.00 24.31 C ATOM 3104 CE1 PHE B 96 7.693 -21.301 -2.930 1.00 1.24 C ATOM 3105 CE2 PHE B 96 5.608 -20.533 -3.811 1.00 12.41 C ATOM 3106 CZ PHE B 96 6.575 -21.511 -3.715 1.00 73.31 C ATOM 0 H PHE B 96 7.790 -15.779 -0.307 1.00 3.52 H new ATOM 0 HA PHE B 96 9.041 -17.463 -2.306 1.00 32.32 H new ATOM 0 HB2 PHE B 96 7.238 -18.037 -0.498 1.00 65.04 H new ATOM 0 HB3 PHE B 96 6.092 -17.256 -1.569 1.00 65.04 H new ATOM 0 HD1 PHE B 96 8.718 -19.958 -1.627 1.00 74.14 H new ATOM 0 HD2 PHE B 96 4.990 -18.588 -3.194 1.00 24.31 H new ATOM 0 HE1 PHE B 96 8.452 -22.066 -2.856 1.00 1.24 H new ATOM 0 HE2 PHE B 96 4.736 -20.694 -4.427 1.00 12.41 H new ATOM 0 HZ PHE B 96 6.459 -22.440 -4.253 1.00 73.31 H new