USER MOD reduce.3.24.130724 H: found=0, std=0, add=1438, rem=0, adj=26 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 16 THR OG1 : rot 115:sc= 0.529 USER MOD Set 1.2: B 81 GLN : amide:sc= 0.492 K(o=1,f=-0.42) USER MOD Set 2.1: B 43 CYS SG : rot 11:sc= 1.44 USER MOD Set 2.2: B 52 SER OG : rot -169:sc= 1.88 USER MOD Set 3.1: A 28 CYS SG : rot 137:sc= 0.996 USER MOD Set 3.2: B 28 CYS SG : rot 98:sc= 1.63 USER MOD Set 4.1: A 43 CYS SG : rot -5:sc= 1.49 USER MOD Set 4.2: A 52 SER OG : rot -158:sc= 1.74! USER MOD Set 5.1: A 16 THR OG1 : rot 121:sc= 0.534 USER MOD Set 5.2: A 81 GLN : amide:sc= 0.494 K(o=1,f=-0.61) USER MOD Single : A 8 HIS : no HD1:sc= -0.19 X(o=-0.19,f=0.0097) USER MOD Single : A 10 ASN : amide:sc= -1.98! C(o=-2!,f=-5!) USER MOD Single : A 19 ASN : amide:sc= -0.0105 K(o=-0.011,f=-1.2) USER MOD Single : A 20 HIS : no HD1:sc= -0.317 K(o=-0.32,f=-1) USER MOD Single : A 24 MET CE :methyl -162:sc= 0 (180deg=-0.437) USER MOD Single : A 25 THR OG1 : rot -170:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.56) USER MOD Single : A 37 ASN : amide:sc= -1.12 K(o=-1.1,f=-3.3!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -3.13! C(o=-3.1!,f=-7.1!) USER MOD Single : A 59 ASN : amide:sc= 1.08 K(o=1.1,f=-6.6!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 66 GLN : amide:sc= -0.0425 X(o=-0.042,f=-0.42) USER MOD Single : A 67 MET CE :methyl 164:sc= -1.35 (180deg=-1.55) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -2.15 K(o=-2.2,f=-0.4) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -170:sc= -0.0342 (180deg=-0.163) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.344 X(o=-0.34,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0156 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 92 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00653) USER MOD Single : B 10 ASN : amide:sc= -2.15! C(o=-2.1!,f=-4.1!) USER MOD Single : B 19 ASN : amide:sc=7.36e-06 K(o=7.4e-06,f=-1.1) USER MOD Single : B 20 HIS : no HD1:sc= -0.323 K(o=-0.32,f=-1) USER MOD Single : B 24 MET CE :methyl -163:sc= 0 (180deg=-0.366) USER MOD Single : B 25 THR OG1 : rot -170:sc= 0 USER MOD Single : B 26 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.37) USER MOD Single : B 37 ASN : amide:sc= -0.981 K(o=-0.98,f=-2.9!) USER MOD Single : B 47 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : B 49 SER OG : rot 180:sc= 0 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 HIS : no HD1:sc= -2.78! C(o=-2.8!,f=-6.8!) USER MOD Single : B 59 ASN : amide:sc= 1.05 K(o=1,f=-6.2!) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : B 66 GLN : amide:sc= -0.0219 X(o=-0.022,f=-0.37) USER MOD Single : B 67 MET CE :methyl 166:sc= -1.42 (180deg=-1.62) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 70 GLN : amide:sc= -2.11 K(o=-2.1,f=-0.39) USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 79 LYS NZ :NH3+ -170:sc= -0.016 (180deg=-0.134) USER MOD Single : B 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 84 GLN : amide:sc= -0.428 X(o=-0.43,f=0) USER MOD Single : B 85 SER OG : rot 180:sc= 0.0205 USER MOD Single : B 88 THR OG1 : rot 180:sc= 0 USER MOD Single : B 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 92 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00433) USER MOD ----------------------------------------------------------------- ATOM 97 N HIS A 8 16.284 -2.287 -13.312 1.00 72.11 N ATOM 98 CA HIS A 8 16.320 -0.902 -12.808 1.00 11.32 C ATOM 99 C HIS A 8 15.423 -0.029 -13.694 1.00 20.52 C ATOM 100 O HIS A 8 15.668 1.160 -13.882 1.00 72.42 O ATOM 101 CB HIS A 8 17.778 -0.372 -12.752 1.00 34.33 C ATOM 102 CG HIS A 8 18.714 -1.252 -11.966 1.00 1.22 C ATOM 103 ND1 HIS A 8 18.354 -1.871 -10.781 1.00 11.21 N ATOM 104 CD2 HIS A 8 19.980 -1.651 -12.223 1.00 12.23 C ATOM 105 CE1 HIS A 8 19.361 -2.603 -10.354 1.00 30.44 C ATOM 106 NE2 HIS A 8 20.353 -2.486 -11.207 1.00 32.45 N ATOM 0 HA HIS A 8 15.939 -0.869 -11.787 1.00 11.32 H new ATOM 0 HB2 HIS A 8 18.157 -0.271 -13.769 1.00 34.33 H new ATOM 0 HB3 HIS A 8 17.776 0.625 -12.312 1.00 34.33 H new ATOM 0 HD2 HIS A 8 20.583 -1.364 -13.072 1.00 12.23 H new ATOM 0 HE1 HIS A 8 19.370 -3.200 -9.454 1.00 30.44 H new ATOM 0 HE2 HIS A 8 21.260 -2.946 -11.124 1.00 32.45 H new ATOM 115 N ASP A 9 14.355 -0.651 -14.215 1.00 63.54 N ATOM 116 CA ASP A 9 13.248 0.054 -14.887 1.00 61.20 C ATOM 117 C ASP A 9 12.481 0.916 -13.865 1.00 2.22 C ATOM 118 O ASP A 9 11.840 1.905 -14.216 1.00 1.20 O ATOM 119 CB ASP A 9 12.300 -0.985 -15.545 1.00 71.44 C ATOM 120 CG ASP A 9 11.109 -0.344 -16.278 1.00 22.54 C ATOM 121 OD1 ASP A 9 11.308 0.198 -17.389 1.00 71.44 O ATOM 122 OD2 ASP A 9 9.978 -0.354 -15.742 1.00 3.05 O ATOM 0 H ASP A 9 14.232 -1.663 -14.183 1.00 63.54 H new ATOM 0 HA ASP A 9 13.646 0.709 -15.662 1.00 61.20 H new ATOM 0 HB2 ASP A 9 12.869 -1.590 -16.251 1.00 71.44 H new ATOM 0 HB3 ASP A 9 11.924 -1.661 -14.777 1.00 71.44 H new ATOM 127 N ASN A 10 12.604 0.524 -12.597 1.00 61.44 N ATOM 128 CA ASN A 10 11.860 1.089 -11.473 1.00 31.12 C ATOM 129 C ASN A 10 12.744 1.942 -10.545 1.00 61.52 C ATOM 130 O ASN A 10 13.980 1.937 -10.630 1.00 54.51 O ATOM 131 CB ASN A 10 11.233 -0.068 -10.658 1.00 62.23 C ATOM 132 CG ASN A 10 12.257 -1.018 -10.009 1.00 65.50 C ATOM 133 OD1 ASN A 10 13.331 -1.282 -10.552 1.00 34.40 O ATOM 134 ND2 ASN A 10 11.932 -1.536 -8.839 1.00 44.43 N ATOM 0 H ASN A 10 13.244 -0.219 -12.316 1.00 61.44 H new ATOM 0 HA ASN A 10 11.092 1.746 -11.881 1.00 31.12 H new ATOM 0 HB2 ASN A 10 10.602 0.355 -9.876 1.00 62.23 H new ATOM 0 HB3 ASN A 10 10.583 -0.647 -11.314 1.00 62.23 H new ATOM 0 HD21 ASN A 10 12.576 -2.169 -8.365 1.00 44.43 H new ATOM 0 HD22 ASN A 10 11.037 -1.303 -8.409 1.00 44.43 H new ATOM 141 N VAL A 11 12.053 2.660 -9.660 1.00 31.35 N ATOM 142 CA VAL A 11 12.614 3.370 -8.521 1.00 41.15 C ATOM 143 C VAL A 11 11.942 2.837 -7.244 1.00 43.24 C ATOM 144 O VAL A 11 10.717 2.509 -7.227 1.00 45.03 O ATOM 145 CB VAL A 11 12.451 4.941 -8.624 1.00 53.22 C ATOM 146 CG1 VAL A 11 13.412 5.524 -9.686 1.00 51.32 C ATOM 147 CG2 VAL A 11 10.983 5.351 -8.916 1.00 22.31 C ATOM 0 H VAL A 11 11.040 2.765 -9.725 1.00 31.35 H new ATOM 0 HA VAL A 11 13.688 3.187 -8.500 1.00 41.15 H new ATOM 0 HB VAL A 11 12.716 5.362 -7.654 1.00 53.22 H new ATOM 0 HG11 VAL A 11 13.283 6.605 -9.740 1.00 51.32 H new ATOM 0 HG12 VAL A 11 14.441 5.295 -9.410 1.00 51.32 H new ATOM 0 HG13 VAL A 11 13.190 5.083 -10.658 1.00 51.32 H new ATOM 0 HG21 VAL A 11 10.914 6.437 -8.979 1.00 22.31 H new ATOM 0 HG22 VAL A 11 10.664 4.912 -9.861 1.00 22.31 H new ATOM 0 HG23 VAL A 11 10.339 4.993 -8.113 1.00 22.31 H new ATOM 157 N ILE A 12 12.791 2.713 -6.215 1.00 0.10 N ATOM 158 CA ILE A 12 12.461 2.226 -4.878 1.00 63.20 C ATOM 159 C ILE A 12 12.147 3.446 -4.003 1.00 65.41 C ATOM 160 O ILE A 12 13.058 4.062 -3.419 1.00 52.22 O ATOM 161 CB ILE A 12 13.682 1.415 -4.265 1.00 4.31 C ATOM 162 CG1 ILE A 12 14.285 0.413 -5.298 1.00 32.24 C ATOM 163 CG2 ILE A 12 13.294 0.686 -2.968 1.00 35.41 C ATOM 164 CD1 ILE A 12 13.314 -0.609 -5.846 1.00 23.21 C ATOM 0 H ILE A 12 13.776 2.964 -6.302 1.00 0.10 H new ATOM 0 HA ILE A 12 11.604 1.555 -4.922 1.00 63.20 H new ATOM 0 HB ILE A 12 14.450 2.148 -4.018 1.00 4.31 H new ATOM 0 HG12 ILE A 12 14.699 0.980 -6.131 1.00 32.24 H new ATOM 0 HG13 ILE A 12 15.115 -0.114 -4.827 1.00 32.24 H new ATOM 0 HG21 ILE A 12 14.158 0.144 -2.583 1.00 35.41 H new ATOM 0 HG22 ILE A 12 12.962 1.413 -2.227 1.00 35.41 H new ATOM 0 HG23 ILE A 12 12.487 -0.017 -3.173 1.00 35.41 H new ATOM 0 HD11 ILE A 12 13.830 -1.257 -6.554 1.00 23.21 H new ATOM 0 HD12 ILE A 12 12.917 -1.209 -5.027 1.00 23.21 H new ATOM 0 HD13 ILE A 12 12.495 -0.098 -6.352 1.00 23.21 H new ATOM 176 N LEU A 13 10.873 3.850 -3.989 1.00 23.21 N ATOM 177 CA LEU A 13 10.438 5.051 -3.265 1.00 11.11 C ATOM 178 C LEU A 13 9.899 4.675 -1.895 1.00 34.44 C ATOM 179 O LEU A 13 8.728 4.334 -1.752 1.00 54.54 O ATOM 180 CB LEU A 13 9.393 5.829 -4.095 1.00 73.11 C ATOM 181 CG LEU A 13 9.909 6.342 -5.467 1.00 33.01 C ATOM 182 CD1 LEU A 13 8.818 7.093 -6.227 1.00 23.35 C ATOM 183 CD2 LEU A 13 11.175 7.212 -5.299 1.00 44.21 C ATOM 0 H LEU A 13 10.120 3.361 -4.473 1.00 23.21 H new ATOM 0 HA LEU A 13 11.296 5.707 -3.115 1.00 11.11 H new ATOM 0 HB2 LEU A 13 8.530 5.185 -4.264 1.00 73.11 H new ATOM 0 HB3 LEU A 13 9.045 6.681 -3.511 1.00 73.11 H new ATOM 0 HG LEU A 13 10.183 5.471 -6.062 1.00 33.01 H new ATOM 0 HD11 LEU A 13 9.212 7.439 -7.183 1.00 23.35 H new ATOM 0 HD12 LEU A 13 7.973 6.427 -6.402 1.00 23.35 H new ATOM 0 HD13 LEU A 13 8.489 7.950 -5.639 1.00 23.35 H new ATOM 0 HD21 LEU A 13 11.512 7.556 -6.277 1.00 44.21 H new ATOM 0 HD22 LEU A 13 10.944 8.073 -4.671 1.00 44.21 H new ATOM 0 HD23 LEU A 13 11.963 6.622 -4.831 1.00 44.21 H new ATOM 195 N GLU A 14 10.781 4.727 -0.894 1.00 64.24 N ATOM 196 CA GLU A 14 10.435 4.418 0.501 1.00 30.01 C ATOM 197 C GLU A 14 10.026 5.721 1.223 1.00 45.14 C ATOM 198 O GLU A 14 10.869 6.527 1.635 1.00 30.42 O ATOM 199 CB GLU A 14 11.589 3.630 1.219 1.00 44.42 C ATOM 200 CG GLU A 14 13.014 3.943 0.724 1.00 41.51 C ATOM 201 CD GLU A 14 14.101 3.058 1.363 1.00 4.40 C ATOM 202 OE1 GLU A 14 14.519 3.347 2.506 1.00 74.02 O ATOM 203 OE2 GLU A 14 14.537 2.066 0.731 1.00 51.33 O ATOM 0 H GLU A 14 11.759 4.985 -1.026 1.00 64.24 H new ATOM 0 HA GLU A 14 9.577 3.746 0.531 1.00 30.01 H new ATOM 0 HB2 GLU A 14 11.540 3.841 2.287 1.00 44.42 H new ATOM 0 HB3 GLU A 14 11.407 2.562 1.097 1.00 44.42 H new ATOM 0 HG2 GLU A 14 13.048 3.820 -0.358 1.00 41.51 H new ATOM 0 HG3 GLU A 14 13.240 4.989 0.933 1.00 41.51 H new ATOM 210 N LEU A 15 8.697 5.928 1.318 1.00 40.50 N ATOM 211 CA LEU A 15 8.093 7.114 1.941 1.00 70.01 C ATOM 212 C LEU A 15 7.958 6.867 3.444 1.00 14.42 C ATOM 213 O LEU A 15 7.102 6.091 3.869 1.00 43.15 O ATOM 214 CB LEU A 15 6.675 7.419 1.348 1.00 34.15 C ATOM 215 CG LEU A 15 6.606 8.135 -0.037 1.00 12.03 C ATOM 216 CD1 LEU A 15 7.230 9.541 0.019 1.00 15.55 C ATOM 217 CD2 LEU A 15 7.207 7.280 -1.179 1.00 40.32 C ATOM 0 H LEU A 15 8.009 5.266 0.959 1.00 40.50 H new ATOM 0 HA LEU A 15 8.737 7.970 1.741 1.00 70.01 H new ATOM 0 HB2 LEU A 15 6.136 6.475 1.265 1.00 34.15 H new ATOM 0 HB3 LEU A 15 6.135 8.032 2.070 1.00 34.15 H new ATOM 0 HG LEU A 15 5.549 8.258 -0.272 1.00 12.03 H new ATOM 0 HD11 LEU A 15 7.163 10.008 -0.964 1.00 15.55 H new ATOM 0 HD12 LEU A 15 6.693 10.149 0.747 1.00 15.55 H new ATOM 0 HD13 LEU A 15 8.277 9.463 0.313 1.00 15.55 H new ATOM 0 HD21 LEU A 15 7.133 7.826 -2.120 1.00 40.32 H new ATOM 0 HD22 LEU A 15 8.254 7.069 -0.963 1.00 40.32 H new ATOM 0 HD23 LEU A 15 6.657 6.342 -1.259 1.00 40.32 H new ATOM 229 N THR A 16 8.784 7.555 4.231 1.00 15.35 N ATOM 230 CA THR A 16 8.729 7.482 5.688 1.00 64.43 C ATOM 231 C THR A 16 7.674 8.474 6.171 1.00 41.23 C ATOM 232 O THR A 16 7.918 9.681 6.235 1.00 11.32 O ATOM 233 CB THR A 16 10.115 7.797 6.341 1.00 73.02 C ATOM 234 OG1 THR A 16 11.072 6.797 5.948 1.00 53.45 O ATOM 235 CG2 THR A 16 10.019 7.860 7.883 1.00 13.01 C ATOM 0 H THR A 16 9.509 8.178 3.876 1.00 15.35 H new ATOM 0 HA THR A 16 8.467 6.467 5.986 1.00 64.43 H new ATOM 0 HB THR A 16 10.439 8.777 5.990 1.00 73.02 H new ATOM 0 HG1 THR A 16 11.823 7.226 5.486 1.00 53.45 H new ATOM 0 HG21 THR A 16 11.002 8.081 8.300 1.00 13.01 H new ATOM 0 HG22 THR A 16 9.318 8.643 8.172 1.00 13.01 H new ATOM 0 HG23 THR A 16 9.670 6.901 8.265 1.00 13.01 H new ATOM 243 N VAL A 17 6.474 7.945 6.412 1.00 71.51 N ATOM 244 CA VAL A 17 5.334 8.705 6.901 1.00 71.44 C ATOM 245 C VAL A 17 5.004 8.294 8.347 1.00 51.32 C ATOM 246 O VAL A 17 5.133 7.126 8.724 1.00 53.34 O ATOM 247 CB VAL A 17 4.069 8.507 5.973 1.00 10.22 C ATOM 248 CG1 VAL A 17 4.391 8.831 4.491 1.00 50.51 C ATOM 249 CG2 VAL A 17 3.459 7.095 6.111 1.00 73.21 C ATOM 0 H VAL A 17 6.268 6.956 6.268 1.00 71.51 H new ATOM 0 HA VAL A 17 5.601 9.762 6.882 1.00 71.44 H new ATOM 0 HB VAL A 17 3.318 9.219 6.316 1.00 10.22 H new ATOM 0 HG11 VAL A 17 3.498 8.683 3.884 1.00 50.51 H new ATOM 0 HG12 VAL A 17 4.719 9.867 4.408 1.00 50.51 H new ATOM 0 HG13 VAL A 17 5.183 8.170 4.138 1.00 50.51 H new ATOM 0 HG21 VAL A 17 2.593 7.007 5.455 1.00 73.21 H new ATOM 0 HG22 VAL A 17 4.203 6.349 5.832 1.00 73.21 H new ATOM 0 HG23 VAL A 17 3.150 6.932 7.143 1.00 73.21 H new ATOM 259 N ARG A 18 4.631 9.278 9.154 1.00 14.14 N ATOM 260 CA ARG A 18 3.987 9.049 10.461 1.00 3.22 C ATOM 261 C ARG A 18 2.524 8.672 10.194 1.00 23.14 C ATOM 262 O ARG A 18 1.856 9.376 9.426 1.00 74.32 O ATOM 263 CB ARG A 18 4.112 10.316 11.363 1.00 62.42 C ATOM 264 CG ARG A 18 3.915 11.663 10.618 1.00 20.03 C ATOM 265 CD ARG A 18 3.948 12.897 11.539 1.00 0.05 C ATOM 266 NE ARG A 18 2.687 13.073 12.288 1.00 5.42 N ATOM 267 CZ ARG A 18 1.608 13.750 11.836 1.00 31.30 C ATOM 268 NH1 ARG A 18 1.617 14.331 10.639 1.00 34.42 N ATOM 269 NH2 ARG A 18 0.529 13.849 12.593 1.00 23.02 N ATOM 0 H ARG A 18 4.762 10.264 8.929 1.00 14.14 H new ATOM 0 HA ARG A 18 4.477 8.239 11.002 1.00 3.22 H new ATOM 0 HB2 ARG A 18 3.377 10.249 12.165 1.00 62.42 H new ATOM 0 HB3 ARG A 18 5.096 10.316 11.832 1.00 62.42 H new ATOM 0 HG2 ARG A 18 4.693 11.766 9.862 1.00 20.03 H new ATOM 0 HG3 ARG A 18 2.960 11.640 10.092 1.00 20.03 H new ATOM 0 HD2 ARG A 18 4.775 12.800 12.242 1.00 0.05 H new ATOM 0 HD3 ARG A 18 4.140 13.788 10.942 1.00 0.05 H new ATOM 0 HE ARG A 18 2.626 12.652 13.215 1.00 5.42 H new ATOM 0 HH11 ARG A 18 2.446 14.269 10.048 1.00 34.42 H new ATOM 0 HH12 ARG A 18 0.795 14.838 10.312 1.00 34.42 H new ATOM 0 HH21 ARG A 18 0.512 13.415 13.516 1.00 23.02 H new ATOM 0 HH22 ARG A 18 -0.287 14.359 12.254 1.00 23.02 H new ATOM 283 N ASN A 19 2.044 7.558 10.801 1.00 1.53 N ATOM 284 CA ASN A 19 0.743 6.942 10.433 1.00 43.03 C ATOM 285 C ASN A 19 -0.456 7.778 10.958 1.00 30.41 C ATOM 286 O ASN A 19 -1.048 7.506 12.016 1.00 63.21 O ATOM 287 CB ASN A 19 0.673 5.449 10.885 1.00 65.32 C ATOM 288 CG ASN A 19 -0.519 4.676 10.280 1.00 3.01 C ATOM 289 OD1 ASN A 19 -1.056 5.046 9.234 1.00 33.35 O ATOM 290 ND2 ASN A 19 -0.921 3.576 10.908 1.00 3.42 N ATOM 0 H ASN A 19 2.538 7.068 11.547 1.00 1.53 H new ATOM 0 HA ASN A 19 0.670 6.946 9.345 1.00 43.03 H new ATOM 0 HB2 ASN A 19 1.600 4.949 10.604 1.00 65.32 H new ATOM 0 HB3 ASN A 19 0.607 5.410 11.972 1.00 65.32 H new ATOM 0 HD21 ASN A 19 -1.687 3.021 10.525 1.00 3.42 H new ATOM 0 HD22 ASN A 19 -0.464 3.286 11.773 1.00 3.42 H new ATOM 297 N HIS A 20 -0.737 8.840 10.196 1.00 25.40 N ATOM 298 CA HIS A 20 -1.883 9.744 10.359 1.00 24.35 C ATOM 299 C HIS A 20 -3.032 9.219 9.468 1.00 70.31 C ATOM 300 O HIS A 20 -2.749 8.605 8.435 1.00 0.42 O ATOM 301 CB HIS A 20 -1.428 11.192 9.955 1.00 1.32 C ATOM 302 CG HIS A 20 -2.530 12.201 9.735 1.00 15.12 C ATOM 303 ND1 HIS A 20 -3.047 12.996 10.738 1.00 23.41 N ATOM 304 CD2 HIS A 20 -3.215 12.542 8.613 1.00 71.11 C ATOM 305 CE1 HIS A 20 -3.983 13.776 10.243 1.00 11.32 C ATOM 306 NE2 HIS A 20 -4.103 13.517 8.961 1.00 64.21 N ATOM 0 H HIS A 20 -0.143 9.106 9.410 1.00 25.40 H new ATOM 0 HA HIS A 20 -2.239 9.780 11.389 1.00 24.35 H new ATOM 0 HB2 HIS A 20 -0.766 11.572 10.733 1.00 1.32 H new ATOM 0 HB3 HIS A 20 -0.839 11.123 9.040 1.00 1.32 H new ATOM 0 HD2 HIS A 20 -3.081 12.120 7.628 1.00 71.11 H new ATOM 0 HE1 HIS A 20 -4.556 14.505 10.797 1.00 11.32 H new ATOM 0 HE2 HIS A 20 -4.757 13.973 8.325 1.00 64.21 H new ATOM 315 N PRO A 21 -4.336 9.400 9.872 1.00 13.34 N ATOM 316 CA PRO A 21 -5.501 8.981 9.050 1.00 33.11 C ATOM 317 C PRO A 21 -5.429 9.439 7.574 1.00 3.45 C ATOM 318 O PRO A 21 -5.641 10.618 7.266 1.00 32.22 O ATOM 319 CB PRO A 21 -6.699 9.615 9.794 1.00 13.13 C ATOM 320 CG PRO A 21 -6.264 9.660 11.229 1.00 3.31 C ATOM 321 CD PRO A 21 -4.780 9.965 11.189 1.00 14.13 C ATOM 0 HA PRO A 21 -5.562 7.896 8.962 1.00 33.11 H new ATOM 0 HB2 PRO A 21 -6.920 10.612 9.414 1.00 13.13 H new ATOM 0 HB3 PRO A 21 -7.604 9.019 9.671 1.00 13.13 H new ATOM 0 HG2 PRO A 21 -6.808 10.427 11.781 1.00 3.31 H new ATOM 0 HG3 PRO A 21 -6.457 8.710 11.728 1.00 3.31 H new ATOM 0 HD2 PRO A 21 -4.590 11.037 11.250 1.00 14.13 H new ATOM 0 HD3 PRO A 21 -4.253 9.500 12.022 1.00 14.13 H new ATOM 329 N GLY A 22 -5.051 8.491 6.692 1.00 41.53 N ATOM 330 CA GLY A 22 -5.070 8.700 5.246 1.00 25.12 C ATOM 331 C GLY A 22 -3.703 8.941 4.614 1.00 62.22 C ATOM 332 O GLY A 22 -3.648 9.370 3.464 1.00 43.41 O ATOM 0 H GLY A 22 -4.726 7.565 6.970 1.00 41.53 H new ATOM 0 HA2 GLY A 22 -5.524 7.829 4.774 1.00 25.12 H new ATOM 0 HA3 GLY A 22 -5.712 9.553 5.025 1.00 25.12 H new ATOM 336 N VAL A 23 -2.595 8.654 5.332 1.00 74.13 N ATOM 337 CA VAL A 23 -1.225 8.811 4.763 1.00 31.54 C ATOM 338 C VAL A 23 -0.976 7.824 3.607 1.00 22.14 C ATOM 339 O VAL A 23 -0.331 8.170 2.606 1.00 70.43 O ATOM 340 CB VAL A 23 -0.095 8.666 5.849 1.00 2.10 C ATOM 341 CG1 VAL A 23 -0.202 9.787 6.875 1.00 31.14 C ATOM 342 CG2 VAL A 23 -0.113 7.293 6.558 1.00 41.13 C ATOM 0 H VAL A 23 -2.614 8.316 6.294 1.00 74.13 H new ATOM 0 HA VAL A 23 -1.178 9.828 4.374 1.00 31.54 H new ATOM 0 HB VAL A 23 0.857 8.738 5.323 1.00 2.10 H new ATOM 0 HG11 VAL A 23 0.585 9.675 7.620 1.00 31.14 H new ATOM 0 HG12 VAL A 23 -0.094 10.749 6.375 1.00 31.14 H new ATOM 0 HG13 VAL A 23 -1.175 9.740 7.365 1.00 31.14 H new ATOM 0 HG21 VAL A 23 0.689 7.254 7.295 1.00 41.13 H new ATOM 0 HG22 VAL A 23 -1.072 7.154 7.057 1.00 41.13 H new ATOM 0 HG23 VAL A 23 0.031 6.502 5.822 1.00 41.13 H new ATOM 352 N MET A 24 -1.520 6.609 3.755 1.00 64.13 N ATOM 353 CA MET A 24 -1.492 5.580 2.713 1.00 3.42 C ATOM 354 C MET A 24 -2.362 6.006 1.505 1.00 4.41 C ATOM 355 O MET A 24 -2.052 5.671 0.363 1.00 3.21 O ATOM 356 CB MET A 24 -1.934 4.202 3.288 1.00 71.22 C ATOM 357 CG MET A 24 -3.352 4.138 3.897 1.00 22.55 C ATOM 358 SD MET A 24 -3.570 5.177 5.364 1.00 34.24 S ATOM 359 CE MET A 24 -5.233 4.733 5.870 1.00 3.03 C ATOM 0 H MET A 24 -1.995 6.313 4.608 1.00 64.13 H new ATOM 0 HA MET A 24 -0.468 5.470 2.357 1.00 3.42 H new ATOM 0 HB2 MET A 24 -1.871 3.462 2.490 1.00 71.22 H new ATOM 0 HB3 MET A 24 -1.218 3.906 4.055 1.00 71.22 H new ATOM 0 HG2 MET A 24 -4.076 4.440 3.140 1.00 22.55 H new ATOM 0 HG3 MET A 24 -3.577 3.104 4.159 1.00 22.55 H new ATOM 0 HE1 MET A 24 -5.625 5.496 6.543 1.00 3.03 H new ATOM 0 HE2 MET A 24 -5.874 4.661 4.991 1.00 3.03 H new ATOM 0 HE3 MET A 24 -5.213 3.772 6.384 1.00 3.03 H new ATOM 369 N THR A 25 -3.427 6.784 1.773 1.00 0.32 N ATOM 370 CA THR A 25 -4.307 7.337 0.726 1.00 23.53 C ATOM 371 C THR A 25 -3.601 8.495 -0.024 1.00 1.44 C ATOM 372 O THR A 25 -3.848 8.716 -1.212 1.00 32.22 O ATOM 373 CB THR A 25 -5.656 7.828 1.357 1.00 20.32 C ATOM 374 OG1 THR A 25 -6.111 6.857 2.319 1.00 24.23 O ATOM 375 CG2 THR A 25 -6.757 8.048 0.298 1.00 33.53 C ATOM 0 H THR A 25 -3.702 7.047 2.720 1.00 0.32 H new ATOM 0 HA THR A 25 -4.527 6.550 0.005 1.00 23.53 H new ATOM 0 HB THR A 25 -5.464 8.788 1.835 1.00 20.32 H new ATOM 0 HG1 THR A 25 -7.024 7.077 2.599 1.00 24.23 H new ATOM 0 HG21 THR A 25 -7.670 8.387 0.787 1.00 33.53 H new ATOM 0 HG22 THR A 25 -6.428 8.801 -0.418 1.00 33.53 H new ATOM 0 HG23 THR A 25 -6.952 7.111 -0.224 1.00 33.53 H new ATOM 383 N HIS A 26 -2.702 9.210 0.696 1.00 2.03 N ATOM 384 CA HIS A 26 -1.914 10.329 0.133 1.00 20.31 C ATOM 385 C HIS A 26 -0.856 9.806 -0.856 1.00 2.44 C ATOM 386 O HIS A 26 -0.727 10.344 -1.960 1.00 33.04 O ATOM 387 CB HIS A 26 -1.241 11.177 1.263 1.00 32.13 C ATOM 388 CG HIS A 26 -2.197 12.000 2.102 1.00 50.03 C ATOM 389 ND1 HIS A 26 -1.783 12.920 3.038 1.00 42.43 N ATOM 390 CD2 HIS A 26 -3.550 12.030 2.145 1.00 34.14 C ATOM 391 CE1 HIS A 26 -2.835 13.470 3.611 1.00 24.32 C ATOM 392 NE2 HIS A 26 -3.917 12.948 3.084 1.00 32.22 N ATOM 0 H HIS A 26 -2.505 9.026 1.680 1.00 2.03 H new ATOM 0 HA HIS A 26 -2.601 10.980 -0.408 1.00 20.31 H new ATOM 0 HB2 HIS A 26 -0.690 10.505 1.921 1.00 32.13 H new ATOM 0 HB3 HIS A 26 -0.512 11.847 0.808 1.00 32.13 H new ATOM 0 HD2 HIS A 26 -4.219 11.433 1.543 1.00 34.14 H new ATOM 0 HE1 HIS A 26 -2.810 14.224 4.384 1.00 24.32 H new ATOM 0 HE2 HIS A 26 -4.876 13.189 3.335 1.00 32.22 H new ATOM 401 N VAL A 27 -0.117 8.739 -0.462 1.00 32.54 N ATOM 402 CA VAL A 27 0.947 8.155 -1.315 1.00 33.44 C ATOM 403 C VAL A 27 0.337 7.534 -2.595 1.00 4.34 C ATOM 404 O VAL A 27 0.794 7.800 -3.720 1.00 35.14 O ATOM 405 CB VAL A 27 1.865 7.121 -0.531 1.00 1.14 C ATOM 406 CG1 VAL A 27 2.534 7.787 0.700 1.00 1.21 C ATOM 407 CG2 VAL A 27 1.109 5.840 -0.109 1.00 62.31 C ATOM 0 H VAL A 27 -0.237 8.268 0.435 1.00 32.54 H new ATOM 0 HA VAL A 27 1.607 8.969 -1.614 1.00 33.44 H new ATOM 0 HB VAL A 27 2.641 6.814 -1.232 1.00 1.14 H new ATOM 0 HG11 VAL A 27 3.156 7.056 1.216 1.00 1.21 H new ATOM 0 HG12 VAL A 27 3.153 8.621 0.371 1.00 1.21 H new ATOM 0 HG13 VAL A 27 1.764 8.153 1.379 1.00 1.21 H new ATOM 0 HG21 VAL A 27 1.789 5.174 0.422 1.00 62.31 H new ATOM 0 HG22 VAL A 27 0.278 6.106 0.545 1.00 62.31 H new ATOM 0 HG23 VAL A 27 0.725 5.335 -0.996 1.00 62.31 H new ATOM 417 N CYS A 28 -0.762 6.787 -2.410 1.00 4.13 N ATOM 418 CA CYS A 28 -1.490 6.146 -3.507 1.00 64.12 C ATOM 419 C CYS A 28 -2.160 7.193 -4.424 1.00 34.13 C ATOM 420 O CYS A 28 -2.245 6.992 -5.638 1.00 63.43 O ATOM 421 CB CYS A 28 -2.528 5.177 -2.916 1.00 3.41 C ATOM 422 SG CYS A 28 -1.797 3.800 -1.999 1.00 51.53 S ATOM 0 H CYS A 28 -1.169 6.612 -1.491 1.00 4.13 H new ATOM 0 HA CYS A 28 -0.788 5.588 -4.127 1.00 64.12 H new ATOM 0 HB2 CYS A 28 -3.193 5.731 -2.254 1.00 3.41 H new ATOM 0 HB3 CYS A 28 -3.142 4.779 -3.724 1.00 3.41 H new ATOM 0 HG CYS A 28 -2.468 3.604 -0.903 1.00 51.53 H new ATOM 428 N GLY A 29 -2.595 8.316 -3.818 1.00 21.15 N ATOM 429 CA GLY A 29 -3.309 9.376 -4.523 1.00 31.43 C ATOM 430 C GLY A 29 -2.428 10.165 -5.484 1.00 52.54 C ATOM 431 O GLY A 29 -2.848 10.470 -6.611 1.00 15.33 O ATOM 0 H GLY A 29 -2.456 8.505 -2.825 1.00 21.15 H new ATOM 0 HA2 GLY A 29 -4.138 8.938 -5.079 1.00 31.43 H new ATOM 0 HA3 GLY A 29 -3.741 10.060 -3.793 1.00 31.43 H new ATOM 435 N LEU A 30 -1.204 10.499 -5.031 1.00 14.23 N ATOM 436 CA LEU A 30 -0.216 11.232 -5.847 1.00 23.43 C ATOM 437 C LEU A 30 0.223 10.387 -7.055 1.00 72.14 C ATOM 438 O LEU A 30 0.327 10.894 -8.173 1.00 1.10 O ATOM 439 CB LEU A 30 1.018 11.669 -4.985 1.00 32.51 C ATOM 440 CG LEU A 30 0.966 13.112 -4.372 1.00 12.23 C ATOM 441 CD1 LEU A 30 0.890 14.198 -5.475 1.00 14.21 C ATOM 442 CD2 LEU A 30 -0.185 13.271 -3.350 1.00 62.51 C ATOM 0 H LEU A 30 -0.873 10.270 -4.094 1.00 14.23 H new ATOM 0 HA LEU A 30 -0.692 12.138 -6.222 1.00 23.43 H new ATOM 0 HB2 LEU A 30 1.135 10.955 -4.169 1.00 32.51 H new ATOM 0 HB3 LEU A 30 1.911 11.593 -5.605 1.00 32.51 H new ATOM 0 HG LEU A 30 1.900 13.255 -3.829 1.00 12.23 H new ATOM 0 HD11 LEU A 30 0.855 15.184 -5.013 1.00 14.21 H new ATOM 0 HD12 LEU A 30 1.769 14.128 -6.116 1.00 14.21 H new ATOM 0 HD13 LEU A 30 -0.008 14.046 -6.074 1.00 14.21 H new ATOM 0 HD21 LEU A 30 -0.181 14.286 -2.953 1.00 62.51 H new ATOM 0 HD22 LEU A 30 -1.138 13.078 -3.842 1.00 62.51 H new ATOM 0 HD23 LEU A 30 -0.048 12.561 -2.534 1.00 62.51 H new ATOM 454 N PHE A 31 0.468 9.096 -6.816 1.00 43.14 N ATOM 455 CA PHE A 31 0.942 8.173 -7.870 1.00 2.21 C ATOM 456 C PHE A 31 -0.178 7.827 -8.882 1.00 3.33 C ATOM 457 O PHE A 31 0.104 7.547 -10.052 1.00 62.54 O ATOM 458 CB PHE A 31 1.569 6.917 -7.216 1.00 15.33 C ATOM 459 CG PHE A 31 2.932 7.193 -6.547 1.00 22.22 C ATOM 460 CD1 PHE A 31 3.079 8.201 -5.583 1.00 71.43 C ATOM 461 CD2 PHE A 31 4.065 6.462 -6.893 1.00 50.10 C ATOM 462 CE1 PHE A 31 4.297 8.463 -4.993 1.00 4.13 C ATOM 463 CE2 PHE A 31 5.284 6.726 -6.298 1.00 52.33 C ATOM 464 CZ PHE A 31 5.400 7.725 -5.350 1.00 34.31 C ATOM 0 H PHE A 31 0.348 8.658 -5.903 1.00 43.14 H new ATOM 0 HA PHE A 31 1.717 8.671 -8.454 1.00 2.21 H new ATOM 0 HB2 PHE A 31 0.879 6.522 -6.470 1.00 15.33 H new ATOM 0 HB3 PHE A 31 1.694 6.145 -7.975 1.00 15.33 H new ATOM 0 HD1 PHE A 31 2.218 8.786 -5.296 1.00 71.43 H new ATOM 0 HD2 PHE A 31 3.991 5.680 -7.634 1.00 50.10 H new ATOM 0 HE1 PHE A 31 4.384 9.245 -4.253 1.00 4.13 H new ATOM 0 HE2 PHE A 31 6.153 6.147 -6.576 1.00 52.33 H new ATOM 0 HZ PHE A 31 6.356 7.925 -4.890 1.00 34.31 H new ATOM 474 N ALA A 32 -1.441 7.870 -8.415 1.00 62.22 N ATOM 475 CA ALA A 32 -2.632 7.634 -9.259 1.00 44.22 C ATOM 476 C ALA A 32 -2.857 8.776 -10.270 1.00 4.35 C ATOM 477 O ALA A 32 -3.278 8.533 -11.407 1.00 14.20 O ATOM 478 CB ALA A 32 -3.879 7.466 -8.373 1.00 23.02 C ATOM 0 H ALA A 32 -1.666 8.070 -7.440 1.00 62.22 H new ATOM 0 HA ALA A 32 -2.458 6.720 -9.826 1.00 44.22 H new ATOM 0 HB1 ALA A 32 -4.752 7.293 -9.002 1.00 23.02 H new ATOM 0 HB2 ALA A 32 -3.739 6.616 -7.705 1.00 23.02 H new ATOM 0 HB3 ALA A 32 -4.031 8.370 -7.783 1.00 23.02 H new ATOM 484 N ARG A 33 -2.569 10.024 -9.843 1.00 34.24 N ATOM 485 CA ARG A 33 -2.855 11.234 -10.652 1.00 51.30 C ATOM 486 C ARG A 33 -1.771 11.498 -11.710 1.00 51.30 C ATOM 487 O ARG A 33 -1.910 12.425 -12.520 1.00 11.24 O ATOM 488 CB ARG A 33 -3.023 12.475 -9.736 1.00 3.33 C ATOM 489 CG ARG A 33 -1.701 13.029 -9.163 1.00 32.01 C ATOM 490 CD ARG A 33 -1.910 14.138 -8.131 1.00 61.52 C ATOM 491 NE ARG A 33 -2.628 15.298 -8.693 1.00 74.13 N ATOM 492 CZ ARG A 33 -3.292 16.213 -7.970 1.00 74.11 C ATOM 493 NH1 ARG A 33 -3.358 16.114 -6.643 1.00 11.40 N ATOM 494 NH2 ARG A 33 -3.905 17.213 -8.583 1.00 51.34 N ATOM 0 H ARG A 33 -2.137 10.223 -8.940 1.00 34.24 H new ATOM 0 HA ARG A 33 -3.790 11.050 -11.182 1.00 51.30 H new ATOM 0 HB2 ARG A 33 -3.519 13.264 -10.301 1.00 3.33 H new ATOM 0 HB3 ARG A 33 -3.682 12.214 -8.908 1.00 3.33 H new ATOM 0 HG2 ARG A 33 -1.142 12.214 -8.703 1.00 32.01 H new ATOM 0 HG3 ARG A 33 -1.091 13.413 -9.981 1.00 32.01 H new ATOM 0 HD2 ARG A 33 -2.470 13.742 -7.284 1.00 61.52 H new ATOM 0 HD3 ARG A 33 -0.942 14.463 -7.749 1.00 61.52 H new ATOM 0 HE ARG A 33 -2.619 15.413 -9.706 1.00 74.13 H new ATOM 0 HH11 ARG A 33 -2.901 15.337 -6.166 1.00 11.40 H new ATOM 0 HH12 ARG A 33 -3.866 16.816 -6.104 1.00 11.40 H new ATOM 0 HH21 ARG A 33 -3.871 17.285 -9.600 1.00 51.34 H new ATOM 0 HH22 ARG A 33 -4.411 17.911 -8.039 1.00 51.34 H new ATOM 508 N ARG A 34 -0.690 10.707 -11.680 1.00 11.25 N ATOM 509 CA ARG A 34 0.392 10.802 -12.656 1.00 64.05 C ATOM 510 C ARG A 34 -0.131 10.340 -14.034 1.00 71.31 C ATOM 511 O ARG A 34 -0.492 11.176 -14.875 1.00 63.44 O ATOM 512 CB ARG A 34 1.611 9.949 -12.185 1.00 53.20 C ATOM 513 CG ARG A 34 2.741 9.813 -13.235 1.00 3.34 C ATOM 514 CD ARG A 34 3.802 8.775 -12.857 1.00 12.23 C ATOM 515 NE ARG A 34 4.572 8.346 -14.031 1.00 33.22 N ATOM 516 CZ ARG A 34 5.311 7.237 -14.103 1.00 34.50 C ATOM 517 NH1 ARG A 34 5.412 6.399 -13.072 1.00 41.10 N ATOM 518 NH2 ARG A 34 5.951 6.977 -15.220 1.00 50.25 N ATOM 0 H ARG A 34 -0.546 9.984 -10.975 1.00 11.25 H new ATOM 0 HA ARG A 34 0.730 11.834 -12.744 1.00 64.05 H new ATOM 0 HB2 ARG A 34 2.024 10.396 -11.281 1.00 53.20 H new ATOM 0 HB3 ARG A 34 1.260 8.953 -11.916 1.00 53.20 H new ATOM 0 HG2 ARG A 34 2.303 9.541 -14.195 1.00 3.34 H new ATOM 0 HG3 ARG A 34 3.222 10.782 -13.367 1.00 3.34 H new ATOM 0 HD2 ARG A 34 4.476 9.196 -12.111 1.00 12.23 H new ATOM 0 HD3 ARG A 34 3.321 7.911 -12.399 1.00 12.23 H new ATOM 0 HE ARG A 34 4.540 8.943 -14.857 1.00 33.22 H new ATOM 0 HH11 ARG A 34 4.918 6.599 -12.202 1.00 41.10 H new ATOM 0 HH12 ARG A 34 5.983 5.558 -13.153 1.00 41.10 H new ATOM 0 HH21 ARG A 34 5.878 7.617 -16.011 1.00 50.25 H new ATOM 0 HH22 ARG A 34 6.522 6.135 -15.297 1.00 50.25 H new ATOM 532 N ALA A 35 -0.213 9.003 -14.205 1.00 20.01 N ATOM 533 CA ALA A 35 -0.568 8.336 -15.474 1.00 62.31 C ATOM 534 C ALA A 35 -0.421 6.821 -15.298 1.00 41.02 C ATOM 535 O ALA A 35 -1.326 6.041 -15.600 1.00 53.33 O ATOM 536 CB ALA A 35 0.318 8.820 -16.647 1.00 4.40 C ATOM 0 H ALA A 35 -0.030 8.344 -13.448 1.00 20.01 H new ATOM 0 HA ALA A 35 -1.599 8.591 -15.719 1.00 62.31 H new ATOM 0 HB1 ALA A 35 0.024 8.305 -17.562 1.00 4.40 H new ATOM 0 HB2 ALA A 35 0.192 9.895 -16.779 1.00 4.40 H new ATOM 0 HB3 ALA A 35 1.363 8.602 -16.428 1.00 4.40 H new ATOM 542 N PHE A 36 0.769 6.436 -14.801 1.00 23.12 N ATOM 543 CA PHE A 36 1.168 5.032 -14.627 1.00 23.14 C ATOM 544 C PHE A 36 0.987 4.636 -13.154 1.00 45.34 C ATOM 545 O PHE A 36 1.343 5.410 -12.251 1.00 55.34 O ATOM 546 CB PHE A 36 2.642 4.833 -15.080 1.00 14.54 C ATOM 547 CG PHE A 36 3.132 3.381 -15.010 1.00 72.33 C ATOM 548 CD1 PHE A 36 2.697 2.437 -15.943 1.00 24.22 C ATOM 549 CD2 PHE A 36 4.016 2.958 -14.015 1.00 4.11 C ATOM 550 CE1 PHE A 36 3.123 1.124 -15.878 1.00 24.45 C ATOM 551 CE2 PHE A 36 4.443 1.643 -13.953 1.00 33.14 C ATOM 552 CZ PHE A 36 3.998 0.728 -14.885 1.00 53.32 C ATOM 0 H PHE A 36 1.486 7.099 -14.507 1.00 23.12 H new ATOM 0 HA PHE A 36 0.539 4.391 -15.245 1.00 23.14 H new ATOM 0 HB2 PHE A 36 2.747 5.191 -16.104 1.00 14.54 H new ATOM 0 HB3 PHE A 36 3.288 5.453 -14.458 1.00 14.54 H new ATOM 0 HD1 PHE A 36 2.018 2.738 -16.727 1.00 24.22 H new ATOM 0 HD2 PHE A 36 4.372 3.668 -13.283 1.00 4.11 H new ATOM 0 HE1 PHE A 36 2.771 0.406 -16.605 1.00 24.45 H new ATOM 0 HE2 PHE A 36 5.125 1.333 -13.175 1.00 33.14 H new ATOM 0 HZ PHE A 36 4.334 -0.297 -14.838 1.00 53.32 H new ATOM 562 N ASN A 37 0.450 3.429 -12.931 1.00 33.54 N ATOM 563 CA ASN A 37 0.123 2.916 -11.586 1.00 5.30 C ATOM 564 C ASN A 37 1.368 2.342 -10.902 1.00 3.24 C ATOM 565 O ASN A 37 2.399 2.123 -11.540 1.00 15.33 O ATOM 566 CB ASN A 37 -0.970 1.816 -11.677 1.00 40.43 C ATOM 567 CG ASN A 37 -2.203 2.241 -12.463 1.00 63.04 C ATOM 568 OD1 ASN A 37 -2.504 3.428 -12.581 1.00 51.25 O ATOM 569 ND2 ASN A 37 -2.939 1.271 -12.988 1.00 52.31 N ATOM 0 H ASN A 37 0.227 2.774 -13.681 1.00 33.54 H new ATOM 0 HA ASN A 37 -0.252 3.750 -10.993 1.00 5.30 H new ATOM 0 HB2 ASN A 37 -0.542 0.928 -12.142 1.00 40.43 H new ATOM 0 HB3 ASN A 37 -1.273 1.533 -10.669 1.00 40.43 H new ATOM 0 HD21 ASN A 37 -3.785 1.498 -13.510 1.00 52.31 H new ATOM 0 HD22 ASN A 37 -2.659 0.297 -12.870 1.00 52.31 H new ATOM 576 N VAL A 38 1.253 2.085 -9.597 1.00 55.42 N ATOM 577 CA VAL A 38 2.309 1.421 -8.828 1.00 41.31 C ATOM 578 C VAL A 38 2.239 -0.090 -9.094 1.00 33.02 C ATOM 579 O VAL A 38 1.148 -0.677 -9.063 1.00 51.35 O ATOM 580 CB VAL A 38 2.182 1.713 -7.287 1.00 72.53 C ATOM 581 CG1 VAL A 38 3.373 1.122 -6.504 1.00 61.34 C ATOM 582 CG2 VAL A 38 2.055 3.229 -7.021 1.00 54.31 C ATOM 0 H VAL A 38 0.430 2.330 -9.046 1.00 55.42 H new ATOM 0 HA VAL A 38 3.274 1.814 -9.148 1.00 41.31 H new ATOM 0 HB VAL A 38 1.273 1.226 -6.934 1.00 72.53 H new ATOM 0 HG11 VAL A 38 3.255 1.341 -5.443 1.00 61.34 H new ATOM 0 HG12 VAL A 38 3.405 0.042 -6.650 1.00 61.34 H new ATOM 0 HG13 VAL A 38 4.301 1.565 -6.865 1.00 61.34 H new ATOM 0 HG21 VAL A 38 1.969 3.404 -5.949 1.00 54.31 H new ATOM 0 HG22 VAL A 38 2.939 3.741 -7.402 1.00 54.31 H new ATOM 0 HG23 VAL A 38 1.168 3.614 -7.524 1.00 54.31 H new ATOM 592 N GLU A 39 3.400 -0.688 -9.392 1.00 62.25 N ATOM 593 CA GLU A 39 3.523 -2.127 -9.662 1.00 1.31 C ATOM 594 C GLU A 39 3.346 -2.883 -8.337 1.00 30.22 C ATOM 595 O GLU A 39 2.425 -3.687 -8.193 1.00 41.54 O ATOM 596 CB GLU A 39 4.912 -2.422 -10.327 1.00 71.44 C ATOM 597 CG GLU A 39 4.941 -3.501 -11.444 1.00 23.44 C ATOM 598 CD GLU A 39 4.947 -4.967 -10.956 1.00 24.12 C ATOM 599 OE1 GLU A 39 5.957 -5.396 -10.339 1.00 3.04 O ATOM 600 OE2 GLU A 39 4.003 -5.727 -11.267 1.00 23.43 O ATOM 0 H GLU A 39 4.285 -0.185 -9.453 1.00 62.25 H new ATOM 0 HA GLU A 39 2.754 -2.462 -10.359 1.00 1.31 H new ATOM 0 HB2 GLU A 39 5.293 -1.490 -10.745 1.00 71.44 H new ATOM 0 HB3 GLU A 39 5.606 -2.726 -9.543 1.00 71.44 H new ATOM 0 HG2 GLU A 39 4.074 -3.355 -12.088 1.00 23.44 H new ATOM 0 HG3 GLU A 39 5.826 -3.338 -12.059 1.00 23.44 H new ATOM 607 N GLY A 40 4.185 -2.529 -7.342 1.00 23.23 N ATOM 608 CA GLY A 40 4.185 -3.222 -6.039 1.00 4.14 C ATOM 609 C GLY A 40 4.263 -2.248 -4.875 1.00 40.53 C ATOM 610 O GLY A 40 4.836 -1.175 -5.014 1.00 43.35 O ATOM 0 H GLY A 40 4.866 -1.773 -7.415 1.00 23.23 H new ATOM 0 HA2 GLY A 40 3.280 -3.823 -5.948 1.00 4.14 H new ATOM 0 HA3 GLY A 40 5.030 -3.909 -5.994 1.00 4.14 H new ATOM 614 N ILE A 41 3.688 -2.619 -3.716 1.00 74.42 N ATOM 615 CA ILE A 41 3.677 -1.760 -2.499 1.00 75.23 C ATOM 616 C ILE A 41 4.111 -2.596 -1.287 1.00 42.34 C ATOM 617 O ILE A 41 3.780 -3.779 -1.209 1.00 52.14 O ATOM 618 CB ILE A 41 2.244 -1.141 -2.225 1.00 21.13 C ATOM 619 CG1 ILE A 41 1.728 -0.345 -3.466 1.00 53.22 C ATOM 620 CG2 ILE A 41 2.225 -0.256 -0.953 1.00 52.21 C ATOM 621 CD1 ILE A 41 0.320 0.208 -3.330 1.00 11.31 C ATOM 0 H ILE A 41 3.218 -3.515 -3.588 1.00 74.42 H new ATOM 0 HA ILE A 41 4.370 -0.935 -2.663 1.00 75.23 H new ATOM 0 HB ILE A 41 1.565 -1.975 -2.048 1.00 21.13 H new ATOM 0 HG12 ILE A 41 2.411 0.483 -3.658 1.00 53.22 H new ATOM 0 HG13 ILE A 41 1.764 -0.997 -4.339 1.00 53.22 H new ATOM 0 HG21 ILE A 41 1.223 0.147 -0.805 1.00 52.21 H new ATOM 0 HG22 ILE A 41 2.506 -0.856 -0.088 1.00 52.21 H new ATOM 0 HG23 ILE A 41 2.932 0.565 -1.070 1.00 52.21 H new ATOM 0 HD11 ILE A 41 0.050 0.744 -4.240 1.00 11.31 H new ATOM 0 HD12 ILE A 41 -0.380 -0.613 -3.172 1.00 11.31 H new ATOM 0 HD13 ILE A 41 0.277 0.890 -2.481 1.00 11.31 H new ATOM 633 N LEU A 42 4.858 -1.983 -0.355 1.00 41.03 N ATOM 634 CA LEU A 42 5.221 -2.619 0.917 1.00 51.32 C ATOM 635 C LEU A 42 5.403 -1.557 2.017 1.00 30.13 C ATOM 636 O LEU A 42 6.450 -0.927 2.130 1.00 45.43 O ATOM 637 CB LEU A 42 6.489 -3.502 0.758 1.00 42.21 C ATOM 638 CG LEU A 42 7.037 -4.185 2.062 1.00 64.41 C ATOM 639 CD1 LEU A 42 5.942 -4.956 2.831 1.00 73.02 C ATOM 640 CD2 LEU A 42 8.238 -5.086 1.728 1.00 62.22 C ATOM 0 H LEU A 42 5.225 -1.037 -0.463 1.00 41.03 H new ATOM 0 HA LEU A 42 4.406 -3.277 1.219 1.00 51.32 H new ATOM 0 HB2 LEU A 42 6.271 -4.283 0.030 1.00 42.21 H new ATOM 0 HB3 LEU A 42 7.283 -2.886 0.337 1.00 42.21 H new ATOM 0 HG LEU A 42 7.374 -3.393 2.731 1.00 64.41 H new ATOM 0 HD11 LEU A 42 6.374 -5.409 3.723 1.00 73.02 H new ATOM 0 HD12 LEU A 42 5.148 -4.268 3.121 1.00 73.02 H new ATOM 0 HD13 LEU A 42 5.530 -5.737 2.192 1.00 73.02 H new ATOM 0 HD21 LEU A 42 8.608 -5.553 2.641 1.00 62.22 H new ATOM 0 HD22 LEU A 42 7.928 -5.859 1.025 1.00 62.22 H new ATOM 0 HD23 LEU A 42 9.030 -4.485 1.281 1.00 62.22 H new ATOM 652 N CYS A 43 4.365 -1.388 2.833 1.00 35.01 N ATOM 653 CA CYS A 43 4.394 -0.523 4.010 1.00 23.13 C ATOM 654 C CYS A 43 4.939 -1.333 5.181 1.00 63.33 C ATOM 655 O CYS A 43 4.231 -2.194 5.724 1.00 23.55 O ATOM 656 CB CYS A 43 2.973 -0.011 4.323 1.00 23.35 C ATOM 657 SG CYS A 43 2.819 0.981 5.824 1.00 42.43 S ATOM 0 H CYS A 43 3.468 -1.854 2.693 1.00 35.01 H new ATOM 0 HA CYS A 43 5.032 0.342 3.829 1.00 23.13 H new ATOM 0 HB2 CYS A 43 2.625 0.583 3.478 1.00 23.35 H new ATOM 0 HB3 CYS A 43 2.306 -0.869 4.405 1.00 23.35 H new ATOM 0 HG CYS A 43 3.957 0.998 6.452 1.00 42.43 H new ATOM 663 N LEU A 44 6.228 -1.114 5.490 1.00 70.45 N ATOM 664 CA LEU A 44 6.897 -1.717 6.642 1.00 3.41 C ATOM 665 C LEU A 44 6.804 -0.734 7.827 1.00 21.54 C ATOM 666 O LEU A 44 7.541 0.277 7.853 1.00 53.24 O ATOM 667 CB LEU A 44 8.378 -2.039 6.321 1.00 25.01 C ATOM 668 CG LEU A 44 9.144 -2.879 7.403 1.00 74.54 C ATOM 669 CD1 LEU A 44 8.595 -4.320 7.487 1.00 54.34 C ATOM 670 CD2 LEU A 44 10.662 -2.871 7.145 1.00 72.31 C ATOM 0 H LEU A 44 6.835 -0.507 4.939 1.00 70.45 H new ATOM 0 HA LEU A 44 6.408 -2.657 6.895 1.00 3.41 H new ATOM 0 HB2 LEU A 44 8.416 -2.579 5.375 1.00 25.01 H new ATOM 0 HB3 LEU A 44 8.911 -1.100 6.173 1.00 25.01 H new ATOM 0 HG LEU A 44 8.973 -2.406 8.370 1.00 74.54 H new ATOM 0 HD11 LEU A 44 9.146 -4.876 8.245 1.00 54.34 H new ATOM 0 HD12 LEU A 44 7.539 -4.292 7.754 1.00 54.34 H new ATOM 0 HD13 LEU A 44 8.712 -4.811 6.521 1.00 54.34 H new ATOM 0 HD21 LEU A 44 11.164 -3.461 7.911 1.00 72.31 H new ATOM 0 HD22 LEU A 44 10.867 -3.300 6.164 1.00 72.31 H new ATOM 0 HD23 LEU A 44 11.031 -1.846 7.177 1.00 72.31 H new ATOM 682 N PRO A 45 5.868 -0.977 8.793 1.00 21.41 N ATOM 683 CA PRO A 45 5.681 -0.090 9.950 1.00 70.23 C ATOM 684 C PRO A 45 6.713 -0.356 11.058 1.00 22.12 C ATOM 685 O PRO A 45 7.001 -1.512 11.405 1.00 55.42 O ATOM 686 CB PRO A 45 4.243 -0.414 10.403 1.00 24.43 C ATOM 687 CG PRO A 45 4.038 -1.861 10.038 1.00 11.20 C ATOM 688 CD PRO A 45 4.909 -2.127 8.825 1.00 31.11 C ATOM 0 HA PRO A 45 5.824 0.963 9.707 1.00 70.23 H new ATOM 0 HB2 PRO A 45 4.121 -0.256 11.475 1.00 24.43 H new ATOM 0 HB3 PRO A 45 3.517 0.226 9.902 1.00 24.43 H new ATOM 0 HG2 PRO A 45 4.316 -2.513 10.866 1.00 11.20 H new ATOM 0 HG3 PRO A 45 2.990 -2.060 9.814 1.00 11.20 H new ATOM 0 HD2 PRO A 45 5.433 -3.079 8.914 1.00 31.11 H new ATOM 0 HD3 PRO A 45 4.315 -2.174 7.912 1.00 31.11 H new ATOM 696 N ILE A 46 7.275 0.725 11.596 1.00 10.44 N ATOM 697 CA ILE A 46 8.226 0.667 12.705 1.00 61.02 C ATOM 698 C ILE A 46 7.422 0.778 14.015 1.00 71.23 C ATOM 699 O ILE A 46 6.632 1.708 14.175 1.00 10.42 O ATOM 700 CB ILE A 46 9.317 1.813 12.626 1.00 34.43 C ATOM 701 CG1 ILE A 46 10.146 1.755 11.290 1.00 43.14 C ATOM 702 CG2 ILE A 46 10.262 1.767 13.849 1.00 60.44 C ATOM 703 CD1 ILE A 46 9.433 2.286 10.064 1.00 75.24 C ATOM 0 H ILE A 46 7.082 1.673 11.272 1.00 10.44 H new ATOM 0 HA ILE A 46 8.772 -0.275 12.658 1.00 61.02 H new ATOM 0 HB ILE A 46 8.778 2.760 12.636 1.00 34.43 H new ATOM 0 HG12 ILE A 46 11.067 2.321 11.428 1.00 43.14 H new ATOM 0 HG13 ILE A 46 10.433 0.720 11.104 1.00 43.14 H new ATOM 0 HG21 ILE A 46 11.001 2.565 13.768 1.00 60.44 H new ATOM 0 HG22 ILE A 46 9.682 1.900 14.762 1.00 60.44 H new ATOM 0 HG23 ILE A 46 10.771 0.803 13.880 1.00 60.44 H new ATOM 0 HD11 ILE A 46 10.088 2.202 9.197 1.00 75.24 H new ATOM 0 HD12 ILE A 46 8.526 1.707 9.891 1.00 75.24 H new ATOM 0 HD13 ILE A 46 9.171 3.332 10.220 1.00 75.24 H new ATOM 715 N GLN A 47 7.594 -0.198 14.923 1.00 62.43 N ATOM 716 CA GLN A 47 6.914 -0.196 16.241 1.00 52.53 C ATOM 717 C GLN A 47 7.700 0.626 17.272 1.00 74.12 C ATOM 718 O GLN A 47 7.174 0.956 18.336 1.00 24.43 O ATOM 719 CB GLN A 47 6.717 -1.641 16.759 1.00 14.13 C ATOM 720 CG GLN A 47 8.019 -2.455 16.945 1.00 14.24 C ATOM 721 CD GLN A 47 7.778 -3.886 17.438 1.00 43.14 C ATOM 722 OE1 GLN A 47 6.752 -4.500 17.141 1.00 5.14 O ATOM 723 NE2 GLN A 47 8.722 -4.432 18.185 1.00 3.24 N ATOM 0 H GLN A 47 8.200 -1.004 14.772 1.00 62.43 H new ATOM 0 HA GLN A 47 5.937 0.267 16.105 1.00 52.53 H new ATOM 0 HB2 GLN A 47 6.193 -1.600 17.714 1.00 14.13 H new ATOM 0 HB3 GLN A 47 6.070 -2.175 16.063 1.00 14.13 H new ATOM 0 HG2 GLN A 47 8.555 -2.491 15.996 1.00 14.24 H new ATOM 0 HG3 GLN A 47 8.664 -1.938 17.656 1.00 14.24 H new ATOM 0 HE21 GLN A 47 9.561 -3.900 18.415 1.00 3.24 H new ATOM 0 HE22 GLN A 47 8.611 -5.385 18.531 1.00 3.24 H new ATOM 732 N ASP A 48 8.966 0.935 16.945 1.00 1.35 N ATOM 733 CA ASP A 48 9.869 1.680 17.834 1.00 41.22 C ATOM 734 C ASP A 48 9.409 3.147 17.991 1.00 33.41 C ATOM 735 O ASP A 48 9.503 3.724 19.080 1.00 71.32 O ATOM 736 CB ASP A 48 11.325 1.599 17.298 1.00 1.51 C ATOM 737 CG ASP A 48 12.350 2.346 18.174 1.00 64.43 C ATOM 738 OD1 ASP A 48 12.738 1.812 19.232 1.00 31.24 O ATOM 739 OD2 ASP A 48 12.771 3.467 17.813 1.00 72.41 O ATOM 0 H ASP A 48 9.391 0.674 16.055 1.00 1.35 H new ATOM 0 HA ASP A 48 9.840 1.225 18.824 1.00 41.22 H new ATOM 0 HB2 ASP A 48 11.618 0.552 17.224 1.00 1.51 H new ATOM 0 HB3 ASP A 48 11.355 2.010 16.289 1.00 1.51 H new ATOM 744 N SER A 49 8.907 3.729 16.890 1.00 51.52 N ATOM 745 CA SER A 49 8.353 5.103 16.864 1.00 64.45 C ATOM 746 C SER A 49 7.175 5.169 15.876 1.00 10.33 C ATOM 747 O SER A 49 7.028 4.274 15.040 1.00 65.51 O ATOM 748 CB SER A 49 9.449 6.120 16.455 1.00 71.32 C ATOM 749 OG SER A 49 10.594 6.031 17.286 1.00 24.45 O ATOM 0 H SER A 49 8.871 3.261 15.984 1.00 51.52 H new ATOM 0 HA SER A 49 7.998 5.360 17.862 1.00 64.45 H new ATOM 0 HB2 SER A 49 9.739 5.944 15.419 1.00 71.32 H new ATOM 0 HB3 SER A 49 9.043 7.130 16.505 1.00 71.32 H new ATOM 0 HG SER A 49 11.261 6.687 16.995 1.00 24.45 H new ATOM 755 N ASP A 50 6.360 6.247 15.962 1.00 74.34 N ATOM 756 CA ASP A 50 5.199 6.463 15.064 1.00 71.22 C ATOM 757 C ASP A 50 5.692 6.890 13.666 1.00 74.44 C ATOM 758 O ASP A 50 5.729 8.079 13.334 1.00 14.13 O ATOM 759 CB ASP A 50 4.218 7.524 15.652 1.00 45.52 C ATOM 760 CG ASP A 50 3.653 7.126 17.025 1.00 63.22 C ATOM 761 OD1 ASP A 50 2.606 6.442 17.077 1.00 42.44 O ATOM 762 OD2 ASP A 50 4.264 7.481 18.058 1.00 44.40 O ATOM 0 H ASP A 50 6.487 6.988 16.651 1.00 74.34 H new ATOM 0 HA ASP A 50 4.652 5.525 14.976 1.00 71.22 H new ATOM 0 HB2 ASP A 50 4.736 8.479 15.742 1.00 45.52 H new ATOM 0 HB3 ASP A 50 3.393 7.673 14.955 1.00 45.52 H new ATOM 767 N LYS A 51 6.122 5.896 12.885 1.00 63.51 N ATOM 768 CA LYS A 51 6.689 6.084 11.544 1.00 21.14 C ATOM 769 C LYS A 51 6.614 4.757 10.780 1.00 60.21 C ATOM 770 O LYS A 51 6.626 3.677 11.387 1.00 34.12 O ATOM 771 CB LYS A 51 8.156 6.610 11.638 1.00 73.23 C ATOM 772 CG LYS A 51 9.135 5.688 12.416 1.00 60.20 C ATOM 773 CD LYS A 51 10.484 6.368 12.751 1.00 60.14 C ATOM 774 CE LYS A 51 11.314 6.750 11.511 1.00 1.22 C ATOM 775 NZ LYS A 51 11.803 5.576 10.759 1.00 60.30 N ATOM 0 H LYS A 51 6.086 4.918 13.171 1.00 63.51 H new ATOM 0 HA LYS A 51 6.113 6.834 11.001 1.00 21.14 H new ATOM 0 HB2 LYS A 51 8.540 6.753 10.628 1.00 73.23 H new ATOM 0 HB3 LYS A 51 8.145 7.589 12.116 1.00 73.23 H new ATOM 0 HG2 LYS A 51 8.660 5.365 13.342 1.00 60.20 H new ATOM 0 HG3 LYS A 51 9.325 4.792 11.826 1.00 60.20 H new ATOM 0 HD2 LYS A 51 10.291 7.266 13.338 1.00 60.14 H new ATOM 0 HD3 LYS A 51 11.072 5.698 13.378 1.00 60.14 H new ATOM 0 HE2 LYS A 51 10.707 7.370 10.851 1.00 1.22 H new ATOM 0 HE3 LYS A 51 12.165 7.355 11.823 1.00 1.22 H new ATOM 0 HZ1 LYS A 51 12.354 5.895 9.937 1.00 60.30 H new ATOM 0 HZ2 LYS A 51 12.406 4.995 11.376 1.00 60.30 H new ATOM 0 HZ3 LYS A 51 10.993 5.010 10.434 1.00 60.30 H new ATOM 789 N SER A 52 6.535 4.850 9.454 1.00 34.14 N ATOM 790 CA SER A 52 6.346 3.697 8.571 1.00 14.21 C ATOM 791 C SER A 52 6.843 4.058 7.177 1.00 44.10 C ATOM 792 O SER A 52 6.430 5.081 6.640 1.00 11.12 O ATOM 793 CB SER A 52 4.849 3.314 8.518 1.00 53.13 C ATOM 794 OG SER A 52 4.637 2.188 7.691 1.00 51.14 O ATOM 0 H SER A 52 6.601 5.737 8.955 1.00 34.14 H new ATOM 0 HA SER A 52 6.909 2.845 8.951 1.00 14.21 H new ATOM 0 HB2 SER A 52 4.490 3.101 9.525 1.00 53.13 H new ATOM 0 HB3 SER A 52 4.268 4.157 8.144 1.00 53.13 H new ATOM 0 HG SER A 52 3.705 2.176 7.387 1.00 51.14 H new ATOM 800 N HIS A 53 7.723 3.234 6.585 1.00 42.13 N ATOM 801 CA HIS A 53 8.246 3.494 5.228 1.00 73.31 C ATOM 802 C HIS A 53 7.592 2.550 4.205 1.00 54.41 C ATOM 803 O HIS A 53 7.702 1.320 4.302 1.00 50.52 O ATOM 804 CB HIS A 53 9.791 3.432 5.180 1.00 43.33 C ATOM 805 CG HIS A 53 10.404 2.153 5.683 1.00 65.15 C ATOM 806 ND1 HIS A 53 10.655 1.920 7.011 1.00 32.23 N ATOM 807 CD2 HIS A 53 10.845 1.063 5.032 1.00 52.53 C ATOM 808 CE1 HIS A 53 11.227 0.749 7.152 1.00 3.15 C ATOM 809 NE2 HIS A 53 11.354 0.206 5.967 1.00 25.40 N ATOM 0 H HIS A 53 8.087 2.386 7.019 1.00 42.13 H new ATOM 0 HA HIS A 53 7.976 4.514 4.955 1.00 73.31 H new ATOM 0 HB2 HIS A 53 10.112 3.588 4.150 1.00 43.33 H new ATOM 0 HB3 HIS A 53 10.189 4.260 5.766 1.00 43.33 H new ATOM 0 HD2 HIS A 53 10.805 0.895 3.966 1.00 52.53 H new ATOM 0 HE1 HIS A 53 11.540 0.307 8.086 1.00 3.15 H new ATOM 0 HE2 HIS A 53 11.765 -0.707 5.774 1.00 25.40 H new ATOM 818 N ILE A 54 6.889 3.159 3.242 1.00 4.21 N ATOM 819 CA ILE A 54 6.142 2.461 2.200 1.00 54.40 C ATOM 820 C ILE A 54 7.003 2.421 0.933 1.00 21.14 C ATOM 821 O ILE A 54 7.308 3.474 0.383 1.00 73.42 O ATOM 822 CB ILE A 54 4.760 3.174 1.862 1.00 0.20 C ATOM 823 CG1 ILE A 54 3.814 3.301 3.108 1.00 24.42 C ATOM 824 CG2 ILE A 54 4.025 2.424 0.725 1.00 72.12 C ATOM 825 CD1 ILE A 54 4.228 4.308 4.157 1.00 31.11 C ATOM 0 H ILE A 54 6.825 4.174 3.168 1.00 4.21 H new ATOM 0 HA ILE A 54 5.914 1.459 2.562 1.00 54.40 H new ATOM 0 HB ILE A 54 5.008 4.185 1.540 1.00 0.20 H new ATOM 0 HG12 ILE A 54 2.816 3.563 2.756 1.00 24.42 H new ATOM 0 HG13 ILE A 54 3.738 2.323 3.582 1.00 24.42 H new ATOM 0 HG21 ILE A 54 3.082 2.926 0.508 1.00 72.12 H new ATOM 0 HG22 ILE A 54 4.648 2.419 -0.170 1.00 72.12 H new ATOM 0 HG23 ILE A 54 3.827 1.398 1.035 1.00 72.12 H new ATOM 0 HD11 ILE A 54 3.500 4.308 4.969 1.00 31.11 H new ATOM 0 HD12 ILE A 54 5.209 4.042 4.549 1.00 31.11 H new ATOM 0 HD13 ILE A 54 4.273 5.301 3.710 1.00 31.11 H new ATOM 837 N TRP A 55 7.366 1.214 0.470 1.00 15.42 N ATOM 838 CA TRP A 55 8.095 1.031 -0.785 1.00 55.20 C ATOM 839 C TRP A 55 7.088 1.008 -1.930 1.00 5.41 C ATOM 840 O TRP A 55 6.302 0.068 -2.065 1.00 53.34 O ATOM 841 CB TRP A 55 8.901 -0.294 -0.796 1.00 13.51 C ATOM 842 CG TRP A 55 10.161 -0.275 0.023 1.00 72.23 C ATOM 843 CD1 TRP A 55 11.321 0.351 -0.289 1.00 12.43 C ATOM 844 CD2 TRP A 55 10.393 -0.930 1.262 1.00 45.01 C ATOM 845 NE1 TRP A 55 12.271 0.100 0.663 1.00 65.21 N ATOM 846 CE2 TRP A 55 11.722 -0.679 1.631 1.00 41.21 C ATOM 847 CE3 TRP A 55 9.601 -1.702 2.085 1.00 72.30 C ATOM 848 CZ2 TRP A 55 12.272 -1.192 2.794 1.00 13.14 C ATOM 849 CZ3 TRP A 55 10.139 -2.203 3.233 1.00 5.02 C ATOM 850 CH2 TRP A 55 11.464 -1.949 3.580 1.00 75.35 C ATOM 0 H TRP A 55 7.160 0.342 0.958 1.00 15.42 H new ATOM 0 HA TRP A 55 8.801 1.854 -0.896 1.00 55.20 H new ATOM 0 HB2 TRP A 55 8.259 -1.096 -0.430 1.00 13.51 H new ATOM 0 HB3 TRP A 55 9.159 -0.537 -1.827 1.00 13.51 H new ATOM 0 HD1 TRP A 55 11.474 0.962 -1.166 1.00 12.43 H new ATOM 0 HE1 TRP A 55 13.232 0.441 0.648 1.00 65.21 H new ATOM 0 HE3 TRP A 55 8.573 -1.906 1.825 1.00 72.30 H new ATOM 0 HZ2 TRP A 55 13.300 -0.998 3.064 1.00 13.14 H new ATOM 0 HZ3 TRP A 55 9.527 -2.808 3.885 1.00 5.02 H new ATOM 0 HH2 TRP A 55 11.858 -2.364 4.496 1.00 75.35 H new ATOM 861 N LEU A 56 7.082 2.085 -2.705 1.00 23.13 N ATOM 862 CA LEU A 56 6.313 2.193 -3.931 1.00 10.31 C ATOM 863 C LEU A 56 7.246 1.859 -5.099 1.00 51.24 C ATOM 864 O LEU A 56 8.163 2.631 -5.435 1.00 74.03 O ATOM 865 CB LEU A 56 5.692 3.610 -4.034 1.00 43.20 C ATOM 866 CG LEU A 56 4.680 3.949 -2.889 1.00 61.32 C ATOM 867 CD1 LEU A 56 4.222 5.411 -2.943 1.00 2.23 C ATOM 868 CD2 LEU A 56 3.469 2.990 -2.916 1.00 40.44 C ATOM 0 H LEU A 56 7.623 2.923 -2.492 1.00 23.13 H new ATOM 0 HA LEU A 56 5.479 1.491 -3.949 1.00 10.31 H new ATOM 0 HB2 LEU A 56 6.494 4.348 -4.026 1.00 43.20 H new ATOM 0 HB3 LEU A 56 5.183 3.703 -4.993 1.00 43.20 H new ATOM 0 HG LEU A 56 5.205 3.809 -1.944 1.00 61.32 H new ATOM 0 HD11 LEU A 56 3.521 5.603 -2.131 1.00 2.23 H new ATOM 0 HD12 LEU A 56 5.086 6.067 -2.839 1.00 2.23 H new ATOM 0 HD13 LEU A 56 3.733 5.604 -3.898 1.00 2.23 H new ATOM 0 HD21 LEU A 56 2.782 3.248 -2.110 1.00 40.44 H new ATOM 0 HD22 LEU A 56 2.955 3.080 -3.873 1.00 40.44 H new ATOM 0 HD23 LEU A 56 3.814 1.964 -2.784 1.00 40.44 H new ATOM 880 N LEU A 57 7.040 0.656 -5.648 1.00 61.32 N ATOM 881 CA LEU A 57 7.793 0.135 -6.782 1.00 10.44 C ATOM 882 C LEU A 57 7.097 0.622 -8.039 1.00 31.03 C ATOM 883 O LEU A 57 6.043 0.079 -8.422 1.00 22.23 O ATOM 884 CB LEU A 57 7.860 -1.430 -6.763 1.00 64.32 C ATOM 885 CG LEU A 57 8.639 -2.094 -5.574 1.00 34.13 C ATOM 886 CD1 LEU A 57 10.031 -1.474 -5.408 1.00 61.15 C ATOM 887 CD2 LEU A 57 7.849 -2.049 -4.250 1.00 54.23 C ATOM 0 H LEU A 57 6.330 0.009 -5.305 1.00 61.32 H new ATOM 0 HA LEU A 57 8.823 0.489 -6.740 1.00 10.44 H new ATOM 0 HB2 LEU A 57 6.839 -1.813 -6.756 1.00 64.32 H new ATOM 0 HB3 LEU A 57 8.318 -1.761 -7.695 1.00 64.32 H new ATOM 0 HG LEU A 57 8.763 -3.146 -5.830 1.00 34.13 H new ATOM 0 HD11 LEU A 57 10.547 -1.955 -4.577 1.00 61.15 H new ATOM 0 HD12 LEU A 57 10.605 -1.618 -6.323 1.00 61.15 H new ATOM 0 HD13 LEU A 57 9.933 -0.407 -5.206 1.00 61.15 H new ATOM 0 HD21 LEU A 57 8.434 -2.522 -3.461 1.00 54.23 H new ATOM 0 HD22 LEU A 57 7.648 -1.012 -3.981 1.00 54.23 H new ATOM 0 HD23 LEU A 57 6.906 -2.581 -4.371 1.00 54.23 H new ATOM 899 N VAL A 58 7.669 1.684 -8.627 1.00 54.33 N ATOM 900 CA VAL A 58 7.089 2.364 -9.809 1.00 65.22 C ATOM 901 C VAL A 58 8.234 2.833 -10.709 1.00 50.14 C ATOM 902 O VAL A 58 9.313 3.074 -10.210 1.00 62.02 O ATOM 903 CB VAL A 58 6.193 3.596 -9.380 1.00 12.11 C ATOM 904 CG1 VAL A 58 7.036 4.740 -8.756 1.00 64.53 C ATOM 905 CG2 VAL A 58 5.306 4.110 -10.548 1.00 64.10 C ATOM 0 H VAL A 58 8.543 2.099 -8.303 1.00 54.33 H new ATOM 0 HA VAL A 58 6.448 1.665 -10.346 1.00 65.22 H new ATOM 0 HB VAL A 58 5.519 3.234 -8.604 1.00 12.11 H new ATOM 0 HG11 VAL A 58 6.380 5.564 -8.477 1.00 64.53 H new ATOM 0 HG12 VAL A 58 7.552 4.370 -7.870 1.00 64.53 H new ATOM 0 HG13 VAL A 58 7.769 5.090 -9.483 1.00 64.53 H new ATOM 0 HG21 VAL A 58 4.709 4.956 -10.207 1.00 64.10 H new ATOM 0 HG22 VAL A 58 5.941 4.425 -11.376 1.00 64.10 H new ATOM 0 HG23 VAL A 58 4.645 3.310 -10.882 1.00 64.10 H new ATOM 915 N ASN A 59 8.024 2.937 -12.028 1.00 25.23 N ATOM 916 CA ASN A 59 9.059 3.500 -12.928 1.00 53.01 C ATOM 917 C ASN A 59 9.126 5.039 -12.771 1.00 52.20 C ATOM 918 O ASN A 59 8.116 5.682 -12.446 1.00 65.21 O ATOM 919 CB ASN A 59 8.829 3.080 -14.409 1.00 61.44 C ATOM 920 CG ASN A 59 7.464 3.454 -14.995 1.00 23.51 C ATOM 921 OD1 ASN A 59 6.817 4.407 -14.584 1.00 72.23 O ATOM 922 ND2 ASN A 59 7.021 2.707 -15.990 1.00 4.10 N ATOM 0 H ASN A 59 7.166 2.647 -12.496 1.00 25.23 H new ATOM 0 HA ASN A 59 10.024 3.086 -12.636 1.00 53.01 H new ATOM 0 HB2 ASN A 59 9.606 3.536 -15.023 1.00 61.44 H new ATOM 0 HB3 ASN A 59 8.955 2.000 -14.486 1.00 61.44 H new ATOM 0 HD21 ASN A 59 6.126 2.921 -16.429 1.00 4.10 H new ATOM 0 HD22 ASN A 59 7.574 1.916 -16.320 1.00 4.10 H new ATOM 929 N ASP A 60 10.324 5.606 -12.975 1.00 3.02 N ATOM 930 CA ASP A 60 10.570 7.057 -12.857 1.00 3.24 C ATOM 931 C ASP A 60 9.981 7.829 -14.058 1.00 63.21 C ATOM 932 O ASP A 60 9.850 7.283 -15.159 1.00 51.25 O ATOM 933 CB ASP A 60 12.095 7.318 -12.720 1.00 40.25 C ATOM 934 CG ASP A 60 12.481 8.808 -12.636 1.00 44.23 C ATOM 935 OD1 ASP A 60 11.984 9.512 -11.735 1.00 34.24 O ATOM 936 OD2 ASP A 60 13.265 9.288 -13.478 1.00 40.40 O ATOM 0 H ASP A 60 11.155 5.072 -13.228 1.00 3.02 H new ATOM 0 HA ASP A 60 10.066 7.423 -11.963 1.00 3.24 H new ATOM 0 HB2 ASP A 60 12.459 6.810 -11.827 1.00 40.25 H new ATOM 0 HB3 ASP A 60 12.606 6.870 -13.572 1.00 40.25 H new ATOM 941 N ASP A 61 9.655 9.110 -13.821 1.00 45.43 N ATOM 942 CA ASP A 61 9.031 10.015 -14.802 1.00 72.34 C ATOM 943 C ASP A 61 9.626 11.427 -14.604 1.00 33.12 C ATOM 944 O ASP A 61 10.298 11.677 -13.598 1.00 12.53 O ATOM 945 CB ASP A 61 7.489 10.021 -14.584 1.00 15.42 C ATOM 946 CG ASP A 61 6.701 10.588 -15.771 1.00 41.41 C ATOM 947 OD1 ASP A 61 6.446 9.835 -16.728 1.00 20.44 O ATOM 948 OD2 ASP A 61 6.329 11.777 -15.745 1.00 70.40 O ATOM 0 H ASP A 61 9.822 9.557 -12.919 1.00 45.43 H new ATOM 0 HA ASP A 61 9.229 9.684 -15.821 1.00 72.34 H new ATOM 0 HB2 ASP A 61 7.154 9.002 -14.391 1.00 15.42 H new ATOM 0 HB3 ASP A 61 7.259 10.606 -13.694 1.00 15.42 H new ATOM 953 N GLN A 62 9.356 12.349 -15.538 1.00 70.21 N ATOM 954 CA GLN A 62 9.784 13.763 -15.404 1.00 5.12 C ATOM 955 C GLN A 62 8.930 14.488 -14.348 1.00 31.44 C ATOM 956 O GLN A 62 9.422 15.351 -13.618 1.00 33.41 O ATOM 957 CB GLN A 62 9.698 14.490 -16.769 1.00 51.30 C ATOM 958 CG GLN A 62 10.661 13.928 -17.831 1.00 35.25 C ATOM 959 CD GLN A 62 10.580 14.624 -19.193 1.00 21.15 C ATOM 960 OE1 GLN A 62 10.283 15.817 -19.290 1.00 63.24 O ATOM 961 NE2 GLN A 62 10.850 13.878 -20.255 1.00 75.20 N ATOM 0 H GLN A 62 8.844 12.149 -16.397 1.00 70.21 H new ATOM 0 HA GLN A 62 10.823 13.778 -15.074 1.00 5.12 H new ATOM 0 HB2 GLN A 62 8.677 14.420 -17.144 1.00 51.30 H new ATOM 0 HB3 GLN A 62 9.912 15.549 -16.621 1.00 51.30 H new ATOM 0 HG2 GLN A 62 11.682 14.008 -17.456 1.00 35.25 H new ATOM 0 HG3 GLN A 62 10.453 12.867 -17.966 1.00 35.25 H new ATOM 0 HE21 GLN A 62 11.092 12.894 -20.139 1.00 75.20 H new ATOM 0 HE22 GLN A 62 10.816 14.288 -21.188 1.00 75.20 H new ATOM 970 N ARG A 63 7.649 14.098 -14.276 1.00 11.11 N ATOM 971 CA ARG A 63 6.678 14.638 -13.306 1.00 72.20 C ATOM 972 C ARG A 63 6.841 13.953 -11.938 1.00 42.11 C ATOM 973 O ARG A 63 6.451 14.518 -10.921 1.00 11.11 O ATOM 974 CB ARG A 63 5.228 14.488 -13.840 1.00 51.01 C ATOM 975 CG ARG A 63 4.139 15.144 -12.946 1.00 45.24 C ATOM 976 CD ARG A 63 2.745 15.109 -13.585 1.00 41.54 C ATOM 977 NE ARG A 63 2.726 15.794 -14.893 1.00 14.32 N ATOM 978 CZ ARG A 63 1.822 15.602 -15.865 1.00 14.14 C ATOM 979 NH1 ARG A 63 0.823 14.731 -15.720 1.00 23.24 N ATOM 980 NH2 ARG A 63 1.955 16.272 -17.001 1.00 54.13 N ATOM 0 H ARG A 63 7.251 13.392 -14.895 1.00 11.11 H new ATOM 0 HA ARG A 63 6.877 15.702 -13.174 1.00 72.20 H new ATOM 0 HB2 ARG A 63 5.174 14.927 -14.836 1.00 51.01 H new ATOM 0 HB3 ARG A 63 5.002 13.427 -13.946 1.00 51.01 H new ATOM 0 HG2 ARG A 63 4.106 14.630 -11.985 1.00 45.24 H new ATOM 0 HG3 ARG A 63 4.416 16.179 -12.745 1.00 45.24 H new ATOM 0 HD2 ARG A 63 2.429 14.074 -13.712 1.00 41.54 H new ATOM 0 HD3 ARG A 63 2.026 15.582 -12.916 1.00 41.54 H new ATOM 0 HE ARG A 63 3.466 16.473 -15.073 1.00 14.32 H new ATOM 0 HH11 ARG A 63 0.735 14.195 -14.857 1.00 23.24 H new ATOM 0 HH12 ARG A 63 0.147 14.601 -16.472 1.00 23.24 H new ATOM 0 HH21 ARG A 63 2.734 16.919 -17.123 1.00 54.13 H new ATOM 0 HH22 ARG A 63 1.278 16.140 -17.753 1.00 54.13 H new ATOM 994 N LEU A 64 7.386 12.713 -11.951 1.00 71.31 N ATOM 995 CA LEU A 64 7.617 11.867 -10.743 1.00 55.11 C ATOM 996 C LEU A 64 8.205 12.689 -9.566 1.00 31.13 C ATOM 997 O LEU A 64 7.717 12.603 -8.447 1.00 0.02 O ATOM 998 CB LEU A 64 8.593 10.693 -11.109 1.00 11.34 C ATOM 999 CG LEU A 64 8.311 9.270 -10.519 1.00 51.13 C ATOM 1000 CD1 LEU A 64 8.399 9.236 -8.996 1.00 2.02 C ATOM 1001 CD2 LEU A 64 6.963 8.709 -11.015 1.00 43.33 C ATOM 0 H LEU A 64 7.685 12.259 -12.814 1.00 71.31 H new ATOM 0 HA LEU A 64 6.654 11.470 -10.420 1.00 55.11 H new ATOM 0 HB2 LEU A 64 8.610 10.603 -12.195 1.00 11.34 H new ATOM 0 HB3 LEU A 64 9.595 10.987 -10.798 1.00 11.34 H new ATOM 0 HG LEU A 64 9.103 8.620 -10.892 1.00 51.13 H new ATOM 0 HD11 LEU A 64 8.195 8.225 -8.642 1.00 2.02 H new ATOM 0 HD12 LEU A 64 9.399 9.535 -8.683 1.00 2.02 H new ATOM 0 HD13 LEU A 64 7.666 9.923 -8.574 1.00 2.02 H new ATOM 0 HD21 LEU A 64 6.800 7.720 -10.586 1.00 43.33 H new ATOM 0 HD22 LEU A 64 6.157 9.375 -10.708 1.00 43.33 H new ATOM 0 HD23 LEU A 64 6.978 8.634 -12.102 1.00 43.33 H new ATOM 1013 N GLU A 65 9.227 13.516 -9.880 1.00 11.11 N ATOM 1014 CA GLU A 65 9.977 14.316 -8.884 1.00 54.23 C ATOM 1015 C GLU A 65 9.129 15.482 -8.328 1.00 71.21 C ATOM 1016 O GLU A 65 9.227 15.821 -7.144 1.00 62.15 O ATOM 1017 CB GLU A 65 11.283 14.857 -9.518 1.00 64.13 C ATOM 1018 CG GLU A 65 12.150 13.777 -10.188 1.00 71.23 C ATOM 1019 CD GLU A 65 13.492 14.325 -10.694 1.00 51.14 C ATOM 1020 OE1 GLU A 65 13.556 14.831 -11.832 1.00 42.35 O ATOM 1021 OE2 GLU A 65 14.486 14.271 -9.940 1.00 3.13 O ATOM 0 H GLU A 65 9.557 13.648 -10.836 1.00 11.11 H new ATOM 0 HA GLU A 65 10.223 13.662 -8.047 1.00 54.23 H new ATOM 0 HB2 GLU A 65 11.028 15.614 -10.259 1.00 64.13 H new ATOM 0 HB3 GLU A 65 11.871 15.352 -8.746 1.00 64.13 H new ATOM 0 HG2 GLU A 65 12.336 12.973 -9.476 1.00 71.23 H new ATOM 0 HG3 GLU A 65 11.601 13.343 -11.024 1.00 71.23 H new ATOM 1028 N GLN A 66 8.307 16.083 -9.209 1.00 0.21 N ATOM 1029 CA GLN A 66 7.331 17.141 -8.854 1.00 72.14 C ATOM 1030 C GLN A 66 6.275 16.584 -7.876 1.00 62.11 C ATOM 1031 O GLN A 66 5.954 17.205 -6.860 1.00 72.15 O ATOM 1032 CB GLN A 66 6.647 17.655 -10.153 1.00 0.11 C ATOM 1033 CG GLN A 66 5.508 18.673 -9.955 1.00 14.44 C ATOM 1034 CD GLN A 66 4.799 19.009 -11.267 1.00 65.45 C ATOM 1035 OE1 GLN A 66 3.828 18.352 -11.649 1.00 73.22 O ATOM 1036 NE2 GLN A 66 5.290 20.007 -11.981 1.00 22.23 N ATOM 0 H GLN A 66 8.299 15.847 -10.201 1.00 0.21 H new ATOM 0 HA GLN A 66 7.848 17.967 -8.365 1.00 72.14 H new ATOM 0 HB2 GLN A 66 7.409 18.110 -10.786 1.00 0.11 H new ATOM 0 HB3 GLN A 66 6.251 16.797 -10.696 1.00 0.11 H new ATOM 0 HG2 GLN A 66 4.784 18.272 -9.245 1.00 14.44 H new ATOM 0 HG3 GLN A 66 5.911 19.586 -9.518 1.00 14.44 H new ATOM 0 HE21 GLN A 66 6.094 20.532 -11.638 1.00 22.23 H new ATOM 0 HE22 GLN A 66 4.864 20.252 -12.875 1.00 22.23 H new ATOM 1045 N MET A 67 5.798 15.379 -8.216 1.00 73.13 N ATOM 1046 CA MET A 67 4.789 14.615 -7.467 1.00 64.12 C ATOM 1047 C MET A 67 5.330 14.223 -6.070 1.00 72.51 C ATOM 1048 O MET A 67 4.612 14.309 -5.061 1.00 53.14 O ATOM 1049 CB MET A 67 4.449 13.357 -8.309 1.00 22.01 C ATOM 1050 CG MET A 67 3.377 12.433 -7.737 1.00 62.41 C ATOM 1051 SD MET A 67 3.246 10.890 -8.663 1.00 14.34 S ATOM 1052 CE MET A 67 4.842 10.149 -8.323 1.00 63.14 C ATOM 0 H MET A 67 6.116 14.890 -9.053 1.00 73.13 H new ATOM 0 HA MET A 67 3.893 15.213 -7.302 1.00 64.12 H new ATOM 0 HB2 MET A 67 4.128 13.683 -9.298 1.00 22.01 H new ATOM 0 HB3 MET A 67 5.363 12.779 -8.445 1.00 22.01 H new ATOM 0 HG2 MET A 67 3.608 12.211 -6.695 1.00 62.41 H new ATOM 0 HG3 MET A 67 2.415 12.945 -7.748 1.00 62.41 H new ATOM 0 HE1 MET A 67 4.813 9.090 -8.579 1.00 63.14 H new ATOM 0 HE2 MET A 67 5.608 10.645 -8.919 1.00 63.14 H new ATOM 0 HE3 MET A 67 5.077 10.261 -7.264 1.00 63.14 H new ATOM 1062 N ILE A 68 6.617 13.826 -6.053 1.00 42.45 N ATOM 1063 CA ILE A 68 7.366 13.477 -4.834 1.00 13.35 C ATOM 1064 C ILE A 68 7.493 14.697 -3.905 1.00 41.34 C ATOM 1065 O ILE A 68 7.226 14.589 -2.706 1.00 73.32 O ATOM 1066 CB ILE A 68 8.794 12.893 -5.196 1.00 64.03 C ATOM 1067 CG1 ILE A 68 8.674 11.413 -5.679 1.00 33.22 C ATOM 1068 CG2 ILE A 68 9.814 13.024 -4.036 1.00 62.31 C ATOM 1069 CD1 ILE A 68 9.977 10.793 -6.142 1.00 35.24 C ATOM 0 H ILE A 68 7.174 13.738 -6.903 1.00 42.45 H new ATOM 0 HA ILE A 68 6.810 12.703 -4.305 1.00 13.35 H new ATOM 0 HB ILE A 68 9.186 13.499 -6.013 1.00 64.03 H new ATOM 0 HG12 ILE A 68 8.269 10.811 -4.866 1.00 33.22 H new ATOM 0 HG13 ILE A 68 7.955 11.369 -6.497 1.00 33.22 H new ATOM 0 HG21 ILE A 68 10.772 12.606 -4.345 1.00 62.31 H new ATOM 0 HG22 ILE A 68 9.942 14.076 -3.781 1.00 62.31 H new ATOM 0 HG23 ILE A 68 9.446 12.482 -3.165 1.00 62.31 H new ATOM 0 HD11 ILE A 68 9.799 9.765 -6.459 1.00 35.24 H new ATOM 0 HD12 ILE A 68 10.376 11.367 -6.979 1.00 35.24 H new ATOM 0 HD13 ILE A 68 10.695 10.800 -5.322 1.00 35.24 H new ATOM 1081 N SER A 69 7.890 15.852 -4.479 1.00 61.44 N ATOM 1082 CA SER A 69 8.065 17.100 -3.722 1.00 41.13 C ATOM 1083 C SER A 69 6.730 17.556 -3.127 1.00 11.34 C ATOM 1084 O SER A 69 6.689 17.975 -1.978 1.00 33.03 O ATOM 1085 CB SER A 69 8.653 18.212 -4.615 1.00 65.20 C ATOM 1086 OG SER A 69 8.916 19.402 -3.882 1.00 51.45 O ATOM 0 H SER A 69 8.096 15.941 -5.474 1.00 61.44 H new ATOM 0 HA SER A 69 8.766 16.905 -2.911 1.00 41.13 H new ATOM 0 HB2 SER A 69 9.576 17.858 -5.074 1.00 65.20 H new ATOM 0 HB3 SER A 69 7.958 18.432 -5.425 1.00 65.20 H new ATOM 0 HG SER A 69 9.289 20.081 -4.483 1.00 51.45 H new ATOM 1092 N GLN A 70 5.646 17.401 -3.921 1.00 34.34 N ATOM 1093 CA GLN A 70 4.293 17.840 -3.554 1.00 25.33 C ATOM 1094 C GLN A 70 3.873 17.153 -2.245 1.00 15.35 C ATOM 1095 O GLN A 70 3.480 17.819 -1.283 1.00 45.24 O ATOM 1096 CB GLN A 70 3.297 17.510 -4.719 1.00 10.33 C ATOM 1097 CG GLN A 70 1.956 18.298 -4.714 1.00 50.40 C ATOM 1098 CD GLN A 70 0.966 17.954 -3.579 1.00 31.40 C ATOM 1099 OE1 GLN A 70 0.232 18.823 -3.103 1.00 64.22 O ATOM 1100 NE2 GLN A 70 0.907 16.692 -3.157 1.00 2.30 N ATOM 0 H GLN A 70 5.693 16.963 -4.841 1.00 34.34 H new ATOM 0 HA GLN A 70 4.279 18.918 -3.395 1.00 25.33 H new ATOM 0 HB2 GLN A 70 3.802 17.698 -5.666 1.00 10.33 H new ATOM 0 HB3 GLN A 70 3.069 16.445 -4.685 1.00 10.33 H new ATOM 0 HG2 GLN A 70 2.184 19.362 -4.658 1.00 50.40 H new ATOM 0 HG3 GLN A 70 1.456 18.129 -5.668 1.00 50.40 H new ATOM 0 HE21 GLN A 70 1.523 15.989 -3.564 1.00 2.30 H new ATOM 0 HE22 GLN A 70 0.245 16.429 -2.427 1.00 2.30 H new ATOM 1109 N ILE A 71 4.005 15.813 -2.223 1.00 31.32 N ATOM 1110 CA ILE A 71 3.598 15.000 -1.072 1.00 43.23 C ATOM 1111 C ILE A 71 4.602 15.133 0.105 1.00 51.10 C ATOM 1112 O ILE A 71 4.216 15.008 1.267 1.00 42.10 O ATOM 1113 CB ILE A 71 3.391 13.493 -1.464 1.00 51.24 C ATOM 1114 CG1 ILE A 71 2.678 12.728 -0.303 1.00 23.12 C ATOM 1115 CG2 ILE A 71 4.715 12.808 -1.882 1.00 31.41 C ATOM 1116 CD1 ILE A 71 2.536 11.246 -0.514 1.00 61.20 C ATOM 0 H ILE A 71 4.393 15.273 -2.996 1.00 31.32 H new ATOM 0 HA ILE A 71 2.636 15.388 -0.737 1.00 43.23 H new ATOM 0 HB ILE A 71 2.746 13.460 -2.342 1.00 51.24 H new ATOM 0 HG12 ILE A 71 3.234 12.897 0.619 1.00 23.12 H new ATOM 0 HG13 ILE A 71 1.686 13.157 -0.160 1.00 23.12 H new ATOM 0 HG21 ILE A 71 4.520 11.768 -2.144 1.00 31.41 H new ATOM 0 HG22 ILE A 71 5.136 13.326 -2.744 1.00 31.41 H new ATOM 0 HG23 ILE A 71 5.422 12.847 -1.054 1.00 31.41 H new ATOM 0 HD11 ILE A 71 2.030 10.803 0.344 1.00 61.20 H new ATOM 0 HD12 ILE A 71 1.952 11.061 -1.415 1.00 61.20 H new ATOM 0 HD13 ILE A 71 3.524 10.798 -0.624 1.00 61.20 H new ATOM 1128 N ASP A 72 5.883 15.392 -0.213 1.00 42.12 N ATOM 1129 CA ASP A 72 6.944 15.586 0.797 1.00 50.22 C ATOM 1130 C ASP A 72 6.667 16.831 1.674 1.00 14.43 C ATOM 1131 O ASP A 72 6.994 16.846 2.867 1.00 63.34 O ATOM 1132 CB ASP A 72 8.330 15.691 0.103 1.00 72.21 C ATOM 1133 CG ASP A 72 9.487 15.991 1.077 1.00 63.34 C ATOM 1134 OD1 ASP A 72 9.730 15.172 1.986 1.00 65.20 O ATOM 1135 OD2 ASP A 72 10.157 17.041 0.936 1.00 33.53 O ATOM 0 H ASP A 72 6.213 15.473 -1.175 1.00 42.12 H new ATOM 0 HA ASP A 72 6.950 14.719 1.457 1.00 50.22 H new ATOM 0 HB2 ASP A 72 8.538 14.756 -0.418 1.00 72.21 H new ATOM 0 HB3 ASP A 72 8.290 16.475 -0.653 1.00 72.21 H new ATOM 1140 N LYS A 73 6.038 17.856 1.065 1.00 23.23 N ATOM 1141 CA LYS A 73 5.669 19.114 1.755 1.00 52.43 C ATOM 1142 C LYS A 73 4.551 18.896 2.806 1.00 34.32 C ATOM 1143 O LYS A 73 4.346 19.747 3.676 1.00 2.41 O ATOM 1144 CB LYS A 73 5.233 20.181 0.717 1.00 3.03 C ATOM 1145 CG LYS A 73 6.328 20.544 -0.315 1.00 25.51 C ATOM 1146 CD LYS A 73 5.831 21.491 -1.431 1.00 23.13 C ATOM 1147 CE LYS A 73 5.330 22.843 -0.896 1.00 53.24 C ATOM 1148 NZ LYS A 73 4.901 23.747 -1.997 1.00 10.04 N ATOM 0 H LYS A 73 5.770 17.838 0.081 1.00 23.23 H new ATOM 0 HA LYS A 73 6.551 19.467 2.290 1.00 52.43 H new ATOM 0 HB2 LYS A 73 4.354 19.817 0.185 1.00 3.03 H new ATOM 0 HB3 LYS A 73 4.933 21.086 1.246 1.00 3.03 H new ATOM 0 HG2 LYS A 73 7.164 21.013 0.204 1.00 25.51 H new ATOM 0 HG3 LYS A 73 6.707 19.628 -0.768 1.00 25.51 H new ATOM 0 HD2 LYS A 73 6.641 21.665 -2.139 1.00 23.13 H new ATOM 0 HD3 LYS A 73 5.026 21.004 -1.981 1.00 23.13 H new ATOM 0 HE2 LYS A 73 4.495 22.678 -0.215 1.00 53.24 H new ATOM 0 HE3 LYS A 73 6.122 23.322 -0.320 1.00 53.24 H new ATOM 0 HZ1 LYS A 73 4.570 24.648 -1.597 1.00 10.04 H new ATOM 0 HZ2 LYS A 73 5.704 23.925 -2.633 1.00 10.04 H new ATOM 0 HZ3 LYS A 73 4.128 23.301 -2.531 1.00 10.04 H new ATOM 1162 N LEU A 74 3.834 17.756 2.706 1.00 74.52 N ATOM 1163 CA LEU A 74 2.794 17.349 3.678 1.00 74.14 C ATOM 1164 C LEU A 74 3.426 16.991 5.039 1.00 20.21 C ATOM 1165 O LEU A 74 4.582 16.557 5.109 1.00 32.11 O ATOM 1166 CB LEU A 74 1.964 16.128 3.148 1.00 1.42 C ATOM 1167 CG LEU A 74 0.780 16.419 2.161 1.00 14.30 C ATOM 1168 CD1 LEU A 74 -0.346 17.203 2.854 1.00 51.40 C ATOM 1169 CD2 LEU A 74 1.255 17.138 0.888 1.00 40.52 C ATOM 0 H LEU A 74 3.960 17.088 1.945 1.00 74.52 H new ATOM 0 HA LEU A 74 2.122 18.197 3.807 1.00 74.14 H new ATOM 0 HB2 LEU A 74 2.653 15.445 2.651 1.00 1.42 H new ATOM 0 HB3 LEU A 74 1.558 15.600 4.011 1.00 1.42 H new ATOM 0 HG LEU A 74 0.377 15.454 1.854 1.00 14.30 H new ATOM 0 HD11 LEU A 74 -1.151 17.389 2.143 1.00 51.40 H new ATOM 0 HD12 LEU A 74 -0.730 16.623 3.694 1.00 51.40 H new ATOM 0 HD13 LEU A 74 0.043 18.154 3.218 1.00 51.40 H new ATOM 0 HD21 LEU A 74 0.403 17.320 0.233 1.00 40.52 H new ATOM 0 HD22 LEU A 74 1.715 18.089 1.157 1.00 40.52 H new ATOM 0 HD23 LEU A 74 1.985 16.516 0.370 1.00 40.52 H new ATOM 1181 N GLU A 75 2.624 17.150 6.104 1.00 33.21 N ATOM 1182 CA GLU A 75 2.997 16.776 7.490 1.00 24.51 C ATOM 1183 C GLU A 75 3.106 15.243 7.643 1.00 43.50 C ATOM 1184 O GLU A 75 3.671 14.741 8.615 1.00 54.31 O ATOM 1185 CB GLU A 75 1.926 17.302 8.478 1.00 50.11 C ATOM 1186 CG GLU A 75 1.551 18.785 8.298 1.00 62.41 C ATOM 1187 CD GLU A 75 0.378 19.220 9.187 1.00 70.34 C ATOM 1188 OE1 GLU A 75 -0.664 18.533 9.179 1.00 32.13 O ATOM 1189 OE2 GLU A 75 0.490 20.239 9.900 1.00 51.41 O ATOM 0 H GLU A 75 1.687 17.546 6.033 1.00 33.21 H new ATOM 0 HA GLU A 75 3.967 17.222 7.710 1.00 24.51 H new ATOM 0 HB2 GLU A 75 1.025 16.699 8.369 1.00 50.11 H new ATOM 0 HB3 GLU A 75 2.288 17.155 9.496 1.00 50.11 H new ATOM 0 HG2 GLU A 75 2.420 19.404 8.524 1.00 62.41 H new ATOM 0 HG3 GLU A 75 1.294 18.965 7.254 1.00 62.41 H new ATOM 1196 N ASP A 76 2.503 14.531 6.684 1.00 64.32 N ATOM 1197 CA ASP A 76 2.435 13.066 6.645 1.00 34.50 C ATOM 1198 C ASP A 76 3.827 12.475 6.377 1.00 13.12 C ATOM 1199 O ASP A 76 4.340 11.690 7.178 1.00 53.11 O ATOM 1200 CB ASP A 76 1.432 12.660 5.534 1.00 44.25 C ATOM 1201 CG ASP A 76 0.076 13.382 5.689 1.00 61.24 C ATOM 1202 OD1 ASP A 76 -0.776 12.939 6.483 1.00 30.31 O ATOM 1203 OD2 ASP A 76 -0.126 14.421 5.034 1.00 45.34 O ATOM 0 H ASP A 76 2.036 14.971 5.891 1.00 64.32 H new ATOM 0 HA ASP A 76 2.095 12.675 7.604 1.00 34.50 H new ATOM 0 HB2 ASP A 76 1.858 12.893 4.558 1.00 44.25 H new ATOM 0 HB3 ASP A 76 1.274 11.582 5.564 1.00 44.25 H new ATOM 1208 N VAL A 77 4.456 12.934 5.277 1.00 74.02 N ATOM 1209 CA VAL A 77 5.789 12.475 4.858 1.00 61.53 C ATOM 1210 C VAL A 77 6.870 13.182 5.687 1.00 22.52 C ATOM 1211 O VAL A 77 7.121 14.376 5.502 1.00 41.11 O ATOM 1212 CB VAL A 77 6.030 12.717 3.321 1.00 73.45 C ATOM 1213 CG1 VAL A 77 7.465 12.311 2.892 1.00 75.44 C ATOM 1214 CG2 VAL A 77 4.978 11.964 2.478 1.00 43.01 C ATOM 0 H VAL A 77 4.051 13.634 4.656 1.00 74.02 H new ATOM 0 HA VAL A 77 5.846 11.401 5.033 1.00 61.53 H new ATOM 0 HB VAL A 77 5.923 13.786 3.139 1.00 73.45 H new ATOM 0 HG11 VAL A 77 7.591 12.493 1.825 1.00 75.44 H new ATOM 0 HG12 VAL A 77 8.192 12.902 3.449 1.00 75.44 H new ATOM 0 HG13 VAL A 77 7.621 11.253 3.100 1.00 75.44 H new ATOM 0 HG21 VAL A 77 5.163 12.145 1.419 1.00 43.01 H new ATOM 0 HG22 VAL A 77 5.046 10.895 2.681 1.00 43.01 H new ATOM 0 HG23 VAL A 77 3.981 12.320 2.738 1.00 43.01 H new ATOM 1224 N VAL A 78 7.467 12.436 6.625 1.00 74.11 N ATOM 1225 CA VAL A 78 8.582 12.918 7.458 1.00 3.05 C ATOM 1226 C VAL A 78 9.856 13.020 6.605 1.00 3.02 C ATOM 1227 O VAL A 78 10.580 14.021 6.650 1.00 1.52 O ATOM 1228 CB VAL A 78 8.857 11.964 8.679 1.00 53.31 C ATOM 1229 CG1 VAL A 78 9.863 12.604 9.672 1.00 30.31 C ATOM 1230 CG2 VAL A 78 7.540 11.546 9.376 1.00 44.23 C ATOM 0 H VAL A 78 7.191 11.476 6.830 1.00 74.11 H new ATOM 0 HA VAL A 78 8.303 13.897 7.847 1.00 3.05 H new ATOM 0 HB VAL A 78 9.316 11.053 8.296 1.00 53.31 H new ATOM 0 HG11 VAL A 78 10.034 11.923 10.506 1.00 30.31 H new ATOM 0 HG12 VAL A 78 10.806 12.797 9.161 1.00 30.31 H new ATOM 0 HG13 VAL A 78 9.456 13.543 10.048 1.00 30.31 H new ATOM 0 HG21 VAL A 78 7.765 10.887 10.215 1.00 44.23 H new ATOM 0 HG22 VAL A 78 7.023 12.434 9.740 1.00 44.23 H new ATOM 0 HG23 VAL A 78 6.902 11.022 8.664 1.00 44.23 H new ATOM 1240 N LYS A 79 10.110 11.946 5.834 1.00 50.31 N ATOM 1241 CA LYS A 79 11.260 11.834 4.929 1.00 73.30 C ATOM 1242 C LYS A 79 10.837 11.062 3.686 1.00 23.43 C ATOM 1243 O LYS A 79 10.201 10.009 3.793 1.00 75.34 O ATOM 1244 CB LYS A 79 12.465 11.102 5.602 1.00 1.23 C ATOM 1245 CG LYS A 79 13.165 11.902 6.717 1.00 21.23 C ATOM 1246 CD LYS A 79 14.392 11.166 7.308 1.00 25.55 C ATOM 1247 CE LYS A 79 15.117 11.993 8.385 1.00 41.44 C ATOM 1248 NZ LYS A 79 15.579 13.312 7.870 1.00 34.34 N ATOM 0 H LYS A 79 9.510 11.121 5.825 1.00 50.31 H new ATOM 0 HA LYS A 79 11.585 12.842 4.670 1.00 73.30 H new ATOM 0 HB2 LYS A 79 12.112 10.158 6.018 1.00 1.23 H new ATOM 0 HB3 LYS A 79 13.199 10.858 4.834 1.00 1.23 H new ATOM 0 HG2 LYS A 79 13.483 12.866 6.321 1.00 21.23 H new ATOM 0 HG3 LYS A 79 12.451 12.105 7.515 1.00 21.23 H new ATOM 0 HD2 LYS A 79 14.069 10.218 7.739 1.00 25.55 H new ATOM 0 HD3 LYS A 79 15.091 10.930 6.505 1.00 25.55 H new ATOM 0 HE2 LYS A 79 14.448 12.150 9.231 1.00 41.44 H new ATOM 0 HE3 LYS A 79 15.974 11.430 8.756 1.00 41.44 H new ATOM 0 HZ1 LYS A 79 16.204 13.759 8.571 1.00 34.34 H new ATOM 0 HZ2 LYS A 79 16.100 13.174 6.980 1.00 34.34 H new ATOM 0 HZ3 LYS A 79 14.757 13.925 7.698 1.00 34.34 H new ATOM 1262 N VAL A 80 11.176 11.593 2.514 1.00 64.34 N ATOM 1263 CA VAL A 80 11.040 10.871 1.245 1.00 41.02 C ATOM 1264 C VAL A 80 12.420 10.332 0.849 1.00 35.33 C ATOM 1265 O VAL A 80 13.402 11.087 0.781 1.00 31.04 O ATOM 1266 CB VAL A 80 10.425 11.759 0.094 1.00 65.23 C ATOM 1267 CG1 VAL A 80 11.238 13.049 -0.178 1.00 33.50 C ATOM 1268 CG2 VAL A 80 10.246 10.926 -1.200 1.00 12.41 C ATOM 0 H VAL A 80 11.553 12.535 2.414 1.00 64.34 H new ATOM 0 HA VAL A 80 10.337 10.051 1.387 1.00 41.02 H new ATOM 0 HB VAL A 80 9.445 12.087 0.440 1.00 65.23 H new ATOM 0 HG11 VAL A 80 10.764 13.616 -0.979 1.00 33.50 H new ATOM 0 HG12 VAL A 80 11.270 13.657 0.726 1.00 33.50 H new ATOM 0 HG13 VAL A 80 12.253 12.784 -0.473 1.00 33.50 H new ATOM 0 HG21 VAL A 80 9.821 11.555 -1.982 1.00 12.41 H new ATOM 0 HG22 VAL A 80 11.215 10.547 -1.526 1.00 12.41 H new ATOM 0 HG23 VAL A 80 9.576 10.089 -1.004 1.00 12.41 H new ATOM 1278 N GLN A 81 12.510 9.018 0.629 1.00 61.41 N ATOM 1279 CA GLN A 81 13.781 8.347 0.311 1.00 64.02 C ATOM 1280 C GLN A 81 13.706 7.749 -1.096 1.00 63.52 C ATOM 1281 O GLN A 81 12.908 6.847 -1.362 1.00 72.40 O ATOM 1282 CB GLN A 81 14.091 7.284 1.384 1.00 31.20 C ATOM 1283 CG GLN A 81 14.462 7.876 2.761 1.00 11.14 C ATOM 1284 CD GLN A 81 14.491 6.838 3.870 1.00 34.15 C ATOM 1285 OE1 GLN A 81 13.505 6.649 4.576 1.00 14.41 O ATOM 1286 NE2 GLN A 81 15.604 6.133 4.011 1.00 1.52 N ATOM 0 H GLN A 81 11.709 8.388 0.665 1.00 61.41 H new ATOM 0 HA GLN A 81 14.600 9.066 0.319 1.00 64.02 H new ATOM 0 HB2 GLN A 81 13.223 6.635 1.500 1.00 31.20 H new ATOM 0 HB3 GLN A 81 14.912 6.658 1.035 1.00 31.20 H new ATOM 0 HG2 GLN A 81 15.440 8.353 2.693 1.00 11.14 H new ATOM 0 HG3 GLN A 81 13.745 8.655 3.020 1.00 11.14 H new ATOM 0 HE21 GLN A 81 16.404 6.317 3.406 1.00 1.52 H new ATOM 0 HE22 GLN A 81 15.660 5.406 4.724 1.00 1.52 H new ATOM 1295 N ARG A 82 14.532 8.303 -1.997 1.00 15.31 N ATOM 1296 CA ARG A 82 14.537 7.972 -3.425 1.00 63.12 C ATOM 1297 C ARG A 82 15.819 7.205 -3.771 1.00 73.24 C ATOM 1298 O ARG A 82 16.900 7.799 -3.788 1.00 44.03 O ATOM 1299 CB ARG A 82 14.478 9.280 -4.261 1.00 51.32 C ATOM 1300 CG ARG A 82 13.235 10.164 -4.026 1.00 60.10 C ATOM 1301 CD ARG A 82 13.312 11.484 -4.821 1.00 73.35 C ATOM 1302 NE ARG A 82 13.645 11.245 -6.243 1.00 64.51 N ATOM 1303 CZ ARG A 82 13.931 12.187 -7.159 1.00 32.24 C ATOM 1304 NH1 ARG A 82 13.932 13.483 -6.853 1.00 50.53 N ATOM 1305 NH2 ARG A 82 14.266 11.812 -8.386 1.00 34.15 N ATOM 0 H ARG A 82 15.227 9.006 -1.746 1.00 15.31 H new ATOM 0 HA ARG A 82 13.670 7.353 -3.655 1.00 63.12 H new ATOM 0 HB2 ARG A 82 15.368 9.870 -4.043 1.00 51.32 H new ATOM 0 HB3 ARG A 82 14.521 9.017 -5.318 1.00 51.32 H new ATOM 0 HG2 ARG A 82 12.339 9.616 -4.317 1.00 60.10 H new ATOM 0 HG3 ARG A 82 13.142 10.385 -2.963 1.00 60.10 H new ATOM 0 HD2 ARG A 82 12.358 12.006 -4.753 1.00 73.35 H new ATOM 0 HD3 ARG A 82 14.064 12.135 -4.375 1.00 73.35 H new ATOM 0 HE ARG A 82 13.659 10.275 -6.558 1.00 64.51 H new ATOM 0 HH11 ARG A 82 13.712 13.783 -5.903 1.00 50.53 H new ATOM 0 HH12 ARG A 82 14.153 14.176 -7.568 1.00 50.53 H new ATOM 0 HH21 ARG A 82 14.304 10.821 -8.624 1.00 34.15 H new ATOM 0 HH22 ARG A 82 14.486 12.515 -9.092 1.00 34.15 H new ATOM 1319 N ASN A 83 15.701 5.894 -4.009 1.00 2.41 N ATOM 1320 CA ASN A 83 16.836 5.035 -4.430 1.00 42.54 C ATOM 1321 C ASN A 83 16.435 4.258 -5.688 1.00 64.31 C ATOM 1322 O ASN A 83 15.416 3.598 -5.680 1.00 2.02 O ATOM 1323 CB ASN A 83 17.220 4.040 -3.294 1.00 34.11 C ATOM 1324 CG ASN A 83 17.727 4.737 -2.028 1.00 15.41 C ATOM 1325 OD1 ASN A 83 16.954 5.053 -1.123 1.00 4.23 O ATOM 1326 ND2 ASN A 83 19.030 4.997 -1.961 1.00 63.43 N ATOM 0 H ASN A 83 14.819 5.389 -3.918 1.00 2.41 H new ATOM 0 HA ASN A 83 17.701 5.664 -4.642 1.00 42.54 H new ATOM 0 HB2 ASN A 83 16.351 3.432 -3.043 1.00 34.11 H new ATOM 0 HB3 ASN A 83 17.990 3.360 -3.660 1.00 34.11 H new ATOM 0 HD21 ASN A 83 19.414 5.471 -1.143 1.00 63.43 H new ATOM 0 HD22 ASN A 83 19.645 4.723 -2.727 1.00 63.43 H new ATOM 1333 N GLN A 84 17.218 4.352 -6.778 1.00 15.41 N ATOM 1334 CA GLN A 84 16.958 3.565 -8.010 1.00 71.10 C ATOM 1335 C GLN A 84 17.753 2.235 -7.949 1.00 52.45 C ATOM 1336 O GLN A 84 18.955 2.181 -8.227 1.00 23.52 O ATOM 1337 CB GLN A 84 17.264 4.411 -9.285 1.00 51.00 C ATOM 1338 CG GLN A 84 18.683 5.031 -9.362 1.00 40.21 C ATOM 1339 CD GLN A 84 18.932 5.927 -10.587 1.00 0.42 C ATOM 1340 OE1 GLN A 84 19.726 6.868 -10.532 1.00 62.04 O ATOM 1341 NE2 GLN A 84 18.278 5.647 -11.703 1.00 33.30 N ATOM 0 H GLN A 84 18.034 4.961 -6.837 1.00 15.41 H new ATOM 0 HA GLN A 84 15.900 3.308 -8.072 1.00 71.10 H new ATOM 0 HB2 GLN A 84 17.117 3.779 -10.161 1.00 51.00 H new ATOM 0 HB3 GLN A 84 16.533 5.217 -9.347 1.00 51.00 H new ATOM 0 HG2 GLN A 84 18.857 5.617 -8.460 1.00 40.21 H new ATOM 0 HG3 GLN A 84 19.416 4.225 -9.365 1.00 40.21 H new ATOM 0 HE21 GLN A 84 17.625 4.864 -11.729 1.00 33.30 H new ATOM 0 HE22 GLN A 84 18.427 6.214 -12.537 1.00 33.30 H new ATOM 1350 N SER A 85 17.059 1.162 -7.546 1.00 74.53 N ATOM 1351 CA SER A 85 17.681 -0.130 -7.190 1.00 51.32 C ATOM 1352 C SER A 85 16.691 -1.285 -7.466 1.00 33.33 C ATOM 1353 O SER A 85 15.625 -1.067 -8.058 1.00 14.42 O ATOM 1354 CB SER A 85 18.127 -0.093 -5.698 1.00 41.11 C ATOM 1355 OG SER A 85 18.886 -1.241 -5.333 1.00 2.04 O ATOM 0 H SER A 85 16.043 1.161 -7.456 1.00 74.53 H new ATOM 0 HA SER A 85 18.565 -0.302 -7.804 1.00 51.32 H new ATOM 0 HB2 SER A 85 18.721 0.804 -5.521 1.00 41.11 H new ATOM 0 HB3 SER A 85 17.246 -0.024 -5.059 1.00 41.11 H new ATOM 0 HG SER A 85 19.146 -1.175 -4.390 1.00 2.04 H new ATOM 1361 N ASP A 86 17.086 -2.517 -7.101 1.00 51.41 N ATOM 1362 CA ASP A 86 16.222 -3.715 -7.196 1.00 2.11 C ATOM 1363 C ASP A 86 15.153 -3.708 -6.077 1.00 33.23 C ATOM 1364 O ASP A 86 15.419 -3.205 -4.973 1.00 65.22 O ATOM 1365 CB ASP A 86 17.063 -5.015 -7.068 1.00 61.35 C ATOM 1366 CG ASP A 86 18.191 -5.107 -8.094 1.00 55.44 C ATOM 1367 OD1 ASP A 86 17.950 -5.559 -9.235 1.00 14.41 O ATOM 1368 OD2 ASP A 86 19.326 -4.712 -7.765 1.00 70.35 O ATOM 0 H ASP A 86 18.015 -2.714 -6.730 1.00 51.41 H new ATOM 0 HA ASP A 86 15.735 -3.689 -8.171 1.00 2.11 H new ATOM 0 HB2 ASP A 86 17.488 -5.068 -6.065 1.00 61.35 H new ATOM 0 HB3 ASP A 86 16.406 -5.877 -7.182 1.00 61.35 H new ATOM 1373 N PRO A 87 13.932 -4.299 -6.324 1.00 60.11 N ATOM 1374 CA PRO A 87 12.875 -4.489 -5.279 1.00 75.11 C ATOM 1375 C PRO A 87 13.212 -5.579 -4.231 1.00 52.21 C ATOM 1376 O PRO A 87 12.352 -5.951 -3.422 1.00 33.25 O ATOM 1377 CB PRO A 87 11.611 -4.884 -6.101 1.00 33.44 C ATOM 1378 CG PRO A 87 11.958 -4.559 -7.521 1.00 42.34 C ATOM 1379 CD PRO A 87 13.446 -4.778 -7.644 1.00 0.12 C ATOM 0 HA PRO A 87 12.753 -3.585 -4.682 1.00 75.11 H new ATOM 0 HB2 PRO A 87 11.378 -5.942 -5.983 1.00 33.44 H new ATOM 0 HB3 PRO A 87 10.735 -4.326 -5.771 1.00 33.44 H new ATOM 0 HG2 PRO A 87 11.411 -5.199 -8.213 1.00 42.34 H new ATOM 0 HG3 PRO A 87 11.694 -3.529 -7.762 1.00 42.34 H new ATOM 0 HD2 PRO A 87 13.693 -5.826 -7.815 1.00 0.12 H new ATOM 0 HD3 PRO A 87 13.876 -4.210 -8.469 1.00 0.12 H new ATOM 1387 N THR A 88 14.472 -6.049 -4.231 1.00 63.02 N ATOM 1388 CA THR A 88 14.978 -7.055 -3.284 1.00 30.51 C ATOM 1389 C THR A 88 15.005 -6.545 -1.829 1.00 71.12 C ATOM 1390 O THR A 88 15.281 -7.328 -0.926 1.00 53.33 O ATOM 1391 CB THR A 88 16.401 -7.531 -3.717 1.00 64.24 C ATOM 1392 OG1 THR A 88 17.295 -6.403 -3.775 1.00 61.53 O ATOM 1393 CG2 THR A 88 16.365 -8.233 -5.092 1.00 40.44 C ATOM 0 H THR A 88 15.176 -5.735 -4.899 1.00 63.02 H new ATOM 0 HA THR A 88 14.285 -7.896 -3.311 1.00 30.51 H new ATOM 0 HB THR A 88 16.756 -8.248 -2.977 1.00 64.24 H new ATOM 0 HG1 THR A 88 18.187 -6.706 -4.045 1.00 61.53 H new ATOM 0 HG21 THR A 88 17.371 -8.552 -5.364 1.00 40.44 H new ATOM 0 HG22 THR A 88 15.710 -9.103 -5.039 1.00 40.44 H new ATOM 0 HG23 THR A 88 15.988 -7.540 -5.844 1.00 40.44 H new ATOM 1401 N MET A 89 14.697 -5.233 -1.622 1.00 70.43 N ATOM 1402 CA MET A 89 14.476 -4.628 -0.282 1.00 31.14 C ATOM 1403 C MET A 89 13.447 -5.443 0.541 1.00 25.43 C ATOM 1404 O MET A 89 13.542 -5.518 1.766 1.00 33.12 O ATOM 1405 CB MET A 89 13.989 -3.160 -0.428 1.00 70.13 C ATOM 1406 CG MET A 89 14.966 -2.238 -1.173 1.00 20.31 C ATOM 1407 SD MET A 89 16.566 -2.093 -0.343 1.00 52.14 S ATOM 1408 CE MET A 89 17.417 -0.914 -1.397 1.00 0.15 C ATOM 0 H MET A 89 14.595 -4.565 -2.386 1.00 70.43 H new ATOM 0 HA MET A 89 15.427 -4.642 0.250 1.00 31.14 H new ATOM 0 HB2 MET A 89 13.034 -3.158 -0.953 1.00 70.13 H new ATOM 0 HB3 MET A 89 13.807 -2.750 0.565 1.00 70.13 H new ATOM 0 HG2 MET A 89 15.119 -2.619 -2.183 1.00 20.31 H new ATOM 0 HG3 MET A 89 14.521 -1.248 -1.270 1.00 20.31 H new ATOM 0 HE1 MET A 89 18.417 -0.731 -1.004 1.00 0.15 H new ATOM 0 HE2 MET A 89 17.492 -1.317 -2.407 1.00 0.15 H new ATOM 0 HE3 MET A 89 16.859 0.022 -1.420 1.00 0.15 H new ATOM 1418 N PHE A 90 12.486 -6.045 -0.186 1.00 0.52 N ATOM 1419 CA PHE A 90 11.491 -6.997 0.339 1.00 21.23 C ATOM 1420 C PHE A 90 12.170 -8.183 1.082 1.00 63.30 C ATOM 1421 O PHE A 90 11.873 -8.458 2.250 1.00 33.45 O ATOM 1422 CB PHE A 90 10.638 -7.499 -0.867 1.00 53.15 C ATOM 1423 CG PHE A 90 9.627 -8.596 -0.544 1.00 3.24 C ATOM 1424 CD1 PHE A 90 8.405 -8.289 0.052 1.00 25.14 C ATOM 1425 CD2 PHE A 90 9.895 -9.933 -0.844 1.00 62.12 C ATOM 1426 CE1 PHE A 90 7.492 -9.278 0.343 1.00 55.03 C ATOM 1427 CE2 PHE A 90 8.980 -10.917 -0.551 1.00 61.03 C ATOM 1428 CZ PHE A 90 7.780 -10.590 0.041 1.00 21.41 C ATOM 0 H PHE A 90 12.378 -5.876 -1.186 1.00 0.52 H new ATOM 0 HA PHE A 90 10.854 -6.503 1.073 1.00 21.23 H new ATOM 0 HB2 PHE A 90 10.103 -6.649 -1.290 1.00 53.15 H new ATOM 0 HB3 PHE A 90 11.313 -7.867 -1.639 1.00 53.15 H new ATOM 0 HD1 PHE A 90 8.171 -7.262 0.289 1.00 25.14 H new ATOM 0 HD2 PHE A 90 10.832 -10.198 -1.312 1.00 62.12 H new ATOM 0 HE1 PHE A 90 6.551 -9.025 0.808 1.00 55.03 H new ATOM 0 HE2 PHE A 90 9.203 -11.947 -0.785 1.00 61.03 H new ATOM 0 HZ PHE A 90 7.063 -11.365 0.269 1.00 21.41 H new ATOM 1438 N ASN A 91 13.101 -8.856 0.384 1.00 12.23 N ATOM 1439 CA ASN A 91 13.840 -10.020 0.921 1.00 10.40 C ATOM 1440 C ASN A 91 14.848 -9.582 2.001 1.00 50.24 C ATOM 1441 O ASN A 91 15.022 -10.268 3.022 1.00 33.24 O ATOM 1442 CB ASN A 91 14.578 -10.758 -0.227 1.00 53.14 C ATOM 1443 CG ASN A 91 15.405 -11.954 0.267 1.00 15.33 C ATOM 1444 OD1 ASN A 91 16.588 -11.823 0.589 1.00 50.35 O ATOM 1445 ND2 ASN A 91 14.792 -13.115 0.351 1.00 21.22 N ATOM 0 H ASN A 91 13.365 -8.611 -0.570 1.00 12.23 H new ATOM 0 HA ASN A 91 13.121 -10.699 1.379 1.00 10.40 H new ATOM 0 HB2 ASN A 91 13.848 -11.105 -0.958 1.00 53.14 H new ATOM 0 HB3 ASN A 91 15.235 -10.056 -0.741 1.00 53.14 H new ATOM 0 HD21 ASN A 91 15.296 -13.935 0.689 1.00 21.22 H new ATOM 0 HD22 ASN A 91 13.813 -13.195 0.078 1.00 21.22 H new ATOM 1452 N LYS A 92 15.484 -8.418 1.753 1.00 3.30 N ATOM 1453 CA LYS A 92 16.534 -7.849 2.621 1.00 30.52 C ATOM 1454 C LYS A 92 16.028 -7.612 4.049 1.00 24.40 C ATOM 1455 O LYS A 92 16.751 -7.863 5.009 1.00 24.21 O ATOM 1456 CB LYS A 92 17.073 -6.526 2.016 1.00 11.11 C ATOM 1457 CG LYS A 92 17.922 -6.709 0.735 1.00 12.55 C ATOM 1458 CD LYS A 92 18.243 -5.372 0.026 1.00 12.33 C ATOM 1459 CE LYS A 92 18.921 -4.338 0.941 1.00 54.52 C ATOM 1460 NZ LYS A 92 20.186 -4.842 1.532 1.00 64.31 N ATOM 0 H LYS A 92 15.280 -7.842 0.936 1.00 3.30 H new ATOM 0 HA LYS A 92 17.345 -8.576 2.676 1.00 30.52 H new ATOM 0 HB2 LYS A 92 16.229 -5.874 1.788 1.00 11.11 H new ATOM 0 HB3 LYS A 92 17.676 -6.016 2.767 1.00 11.11 H new ATOM 0 HG2 LYS A 92 18.855 -7.210 0.993 1.00 12.55 H new ATOM 0 HG3 LYS A 92 17.390 -7.362 0.043 1.00 12.55 H new ATOM 0 HD2 LYS A 92 18.891 -5.569 -0.828 1.00 12.33 H new ATOM 0 HD3 LYS A 92 17.319 -4.947 -0.366 1.00 12.33 H new ATOM 0 HE2 LYS A 92 19.126 -3.432 0.370 1.00 54.52 H new ATOM 0 HE3 LYS A 92 18.235 -4.061 1.742 1.00 54.52 H new ATOM 0 HZ1 LYS A 92 20.611 -4.102 2.126 1.00 64.31 H new ATOM 0 HZ2 LYS A 92 19.987 -5.681 2.114 1.00 64.31 H new ATOM 0 HZ3 LYS A 92 20.847 -5.097 0.771 1.00 64.31 H new ATOM 1474 N ILE A 93 14.790 -7.115 4.180 1.00 12.25 N ATOM 1475 CA ILE A 93 14.171 -6.895 5.498 1.00 34.13 C ATOM 1476 C ILE A 93 13.599 -8.205 6.067 1.00 44.33 C ATOM 1477 O ILE A 93 13.594 -8.380 7.277 1.00 53.31 O ATOM 1478 CB ILE A 93 13.033 -5.814 5.448 1.00 55.13 C ATOM 1479 CG1 ILE A 93 11.839 -6.317 4.582 1.00 10.33 C ATOM 1480 CG2 ILE A 93 13.588 -4.472 4.928 1.00 34.31 C ATOM 1481 CD1 ILE A 93 10.661 -5.388 4.482 1.00 44.21 C ATOM 0 H ILE A 93 14.197 -6.857 3.391 1.00 12.25 H new ATOM 0 HA ILE A 93 14.963 -6.529 6.151 1.00 34.13 H new ATOM 0 HB ILE A 93 12.659 -5.648 6.458 1.00 55.13 H new ATOM 0 HG12 ILE A 93 12.205 -6.517 3.575 1.00 10.33 H new ATOM 0 HG13 ILE A 93 11.494 -7.267 4.991 1.00 10.33 H new ATOM 0 HG21 ILE A 93 12.787 -3.734 4.899 1.00 34.31 H new ATOM 0 HG22 ILE A 93 14.379 -4.124 5.592 1.00 34.31 H new ATOM 0 HG23 ILE A 93 13.991 -4.609 3.925 1.00 34.31 H new ATOM 0 HD11 ILE A 93 9.892 -5.841 3.856 1.00 44.21 H new ATOM 0 HD12 ILE A 93 10.257 -5.205 5.478 1.00 44.21 H new ATOM 0 HD13 ILE A 93 10.979 -4.444 4.040 1.00 44.21 H new ATOM 1493 N ALA A 94 13.106 -9.101 5.174 1.00 65.02 N ATOM 1494 CA ALA A 94 12.429 -10.356 5.570 1.00 3.12 C ATOM 1495 C ALA A 94 13.322 -11.237 6.459 1.00 74.34 C ATOM 1496 O ALA A 94 12.874 -11.731 7.492 1.00 22.14 O ATOM 1497 CB ALA A 94 11.962 -11.119 4.321 1.00 32.34 C ATOM 0 H ALA A 94 13.168 -8.972 4.164 1.00 65.02 H new ATOM 0 HA ALA A 94 11.556 -10.093 6.167 1.00 3.12 H new ATOM 0 HB1 ALA A 94 11.465 -12.041 4.623 1.00 32.34 H new ATOM 0 HB2 ALA A 94 11.266 -10.500 3.755 1.00 32.34 H new ATOM 0 HB3 ALA A 94 12.823 -11.358 3.698 1.00 32.34 H new ATOM 1503 N VAL A 95 14.605 -11.362 6.074 1.00 12.32 N ATOM 1504 CA VAL A 95 15.595 -12.180 6.806 1.00 64.04 C ATOM 1505 C VAL A 95 15.837 -11.644 8.250 1.00 71.25 C ATOM 1506 O VAL A 95 16.183 -12.412 9.154 1.00 52.43 O ATOM 1507 CB VAL A 95 16.950 -12.282 5.992 1.00 31.31 C ATOM 1508 CG1 VAL A 95 17.614 -10.898 5.800 1.00 64.54 C ATOM 1509 CG2 VAL A 95 17.930 -13.298 6.631 1.00 0.22 C ATOM 0 H VAL A 95 14.986 -10.900 5.248 1.00 12.32 H new ATOM 0 HA VAL A 95 15.184 -13.184 6.906 1.00 64.04 H new ATOM 0 HB VAL A 95 16.695 -12.657 5.001 1.00 31.31 H new ATOM 0 HG11 VAL A 95 18.540 -11.014 5.237 1.00 64.54 H new ATOM 0 HG12 VAL A 95 16.937 -10.242 5.253 1.00 64.54 H new ATOM 0 HG13 VAL A 95 17.834 -10.462 6.774 1.00 64.54 H new ATOM 0 HG21 VAL A 95 18.847 -13.338 6.043 1.00 0.22 H new ATOM 0 HG22 VAL A 95 18.165 -12.986 7.649 1.00 0.22 H new ATOM 0 HG23 VAL A 95 17.468 -14.285 6.652 1.00 0.22 H new ATOM 1519 N PHE A 96 15.627 -10.327 8.456 1.00 44.40 N ATOM 1520 CA PHE A 96 15.833 -9.667 9.768 1.00 33.22 C ATOM 1521 C PHE A 96 14.545 -9.646 10.625 1.00 71.44 C ATOM 1522 O PHE A 96 14.589 -9.963 11.819 1.00 3.41 O ATOM 1523 CB PHE A 96 16.378 -8.229 9.565 1.00 25.21 C ATOM 1524 CG PHE A 96 17.739 -8.174 8.860 1.00 24.41 C ATOM 1525 CD1 PHE A 96 18.795 -8.985 9.286 1.00 35.45 C ATOM 1526 CD2 PHE A 96 17.963 -7.322 7.781 1.00 23.14 C ATOM 1527 CE1 PHE A 96 20.024 -8.943 8.651 1.00 21.12 C ATOM 1528 CE2 PHE A 96 19.193 -7.282 7.150 1.00 73.24 C ATOM 1529 CZ PHE A 96 20.220 -8.093 7.583 1.00 55.43 C ATOM 0 H PHE A 96 15.311 -9.691 7.723 1.00 44.40 H new ATOM 0 HA PHE A 96 16.569 -10.255 10.316 1.00 33.22 H new ATOM 0 HB2 PHE A 96 15.655 -7.656 8.984 1.00 25.21 H new ATOM 0 HB3 PHE A 96 16.463 -7.743 10.537 1.00 25.21 H new ATOM 0 HD1 PHE A 96 18.650 -9.653 10.122 1.00 35.45 H new ATOM 0 HD2 PHE A 96 17.165 -6.684 7.432 1.00 23.14 H new ATOM 0 HE1 PHE A 96 20.830 -9.576 8.992 1.00 21.12 H new ATOM 0 HE2 PHE A 96 19.349 -6.614 6.316 1.00 73.24 H new ATOM 0 HZ PHE A 96 21.178 -8.063 7.086 1.00 55.43 H new ATOM 1692 N ASP B 9 -5.844 -10.445 16.777 1.00 41.12 N ATOM 1693 CA ASP B 9 -6.535 -9.141 16.791 1.00 75.00 C ATOM 1694 C ASP B 9 -6.751 -8.635 15.360 1.00 43.30 C ATOM 1695 O ASP B 9 -7.839 -8.147 15.011 1.00 43.31 O ATOM 1696 CB ASP B 9 -5.713 -8.107 17.613 1.00 14.33 C ATOM 1697 CG ASP B 9 -6.250 -6.664 17.506 1.00 74.35 C ATOM 1698 OD1 ASP B 9 -7.353 -6.385 18.040 1.00 21.00 O ATOM 1699 OD2 ASP B 9 -5.587 -5.810 16.874 1.00 31.02 O ATOM 0 HA ASP B 9 -7.509 -9.267 17.263 1.00 75.00 H new ATOM 0 HB2 ASP B 9 -5.711 -8.408 18.661 1.00 14.33 H new ATOM 0 HB3 ASP B 9 -4.677 -8.126 17.273 1.00 14.33 H new ATOM 1704 N ASN B 10 -5.705 -8.780 14.538 1.00 53.43 N ATOM 1705 CA ASN B 10 -5.703 -8.274 13.164 1.00 72.44 C ATOM 1706 C ASN B 10 -6.379 -9.268 12.213 1.00 35.10 C ATOM 1707 O ASN B 10 -6.516 -10.462 12.514 1.00 55.33 O ATOM 1708 CB ASN B 10 -4.262 -7.983 12.667 1.00 21.31 C ATOM 1709 CG ASN B 10 -3.370 -9.226 12.546 1.00 61.13 C ATOM 1710 OD1 ASN B 10 -3.437 -10.146 13.358 1.00 72.21 O ATOM 1711 ND2 ASN B 10 -2.543 -9.268 11.519 1.00 41.11 N ATOM 0 H ASN B 10 -4.840 -9.250 14.807 1.00 53.43 H new ATOM 0 HA ASN B 10 -6.266 -7.340 13.167 1.00 72.44 H new ATOM 0 HB2 ASN B 10 -4.318 -7.495 11.694 1.00 21.31 H new ATOM 0 HB3 ASN B 10 -3.790 -7.277 13.351 1.00 21.31 H new ATOM 0 HD21 ASN B 10 -1.939 -10.078 11.384 1.00 41.11 H new ATOM 0 HD22 ASN B 10 -2.508 -8.490 10.860 1.00 41.11 H new ATOM 1718 N VAL B 11 -6.791 -8.746 11.066 1.00 23.03 N ATOM 1719 CA VAL B 11 -7.319 -9.511 9.945 1.00 54.23 C ATOM 1720 C VAL B 11 -6.415 -9.295 8.724 1.00 52.11 C ATOM 1721 O VAL B 11 -5.942 -8.180 8.455 1.00 44.03 O ATOM 1722 CB VAL B 11 -8.816 -9.138 9.609 1.00 53.41 C ATOM 1723 CG1 VAL B 11 -9.773 -9.713 10.678 1.00 0.44 C ATOM 1724 CG2 VAL B 11 -9.008 -7.606 9.458 1.00 55.22 C ATOM 0 H VAL B 11 -6.766 -7.743 10.884 1.00 23.03 H new ATOM 0 HA VAL B 11 -7.323 -10.565 10.224 1.00 54.23 H new ATOM 0 HB VAL B 11 -9.060 -9.590 8.648 1.00 53.41 H new ATOM 0 HG11 VAL B 11 -10.800 -9.445 10.429 1.00 0.44 H new ATOM 0 HG12 VAL B 11 -9.678 -10.798 10.706 1.00 0.44 H new ATOM 0 HG13 VAL B 11 -9.517 -9.301 11.654 1.00 0.44 H new ATOM 0 HG21 VAL B 11 -10.051 -7.391 9.227 1.00 55.22 H new ATOM 0 HG22 VAL B 11 -8.733 -7.111 10.390 1.00 55.22 H new ATOM 0 HG23 VAL B 11 -8.375 -7.238 8.651 1.00 55.22 H new ATOM 1734 N ILE B 12 -6.155 -10.401 8.039 1.00 53.24 N ATOM 1735 CA ILE B 12 -5.326 -10.478 6.839 1.00 31.11 C ATOM 1736 C ILE B 12 -6.240 -10.282 5.618 1.00 73.53 C ATOM 1737 O ILE B 12 -6.828 -11.247 5.099 1.00 64.13 O ATOM 1738 CB ILE B 12 -4.592 -11.882 6.768 1.00 44.13 C ATOM 1739 CG1 ILE B 12 -3.967 -12.267 8.145 1.00 14.45 C ATOM 1740 CG2 ILE B 12 -3.529 -11.917 5.660 1.00 14.20 C ATOM 1741 CD1 ILE B 12 -2.967 -11.276 8.700 1.00 40.13 C ATOM 0 H ILE B 12 -6.531 -11.308 8.315 1.00 53.24 H new ATOM 0 HA ILE B 12 -4.559 -9.704 6.858 1.00 31.11 H new ATOM 0 HB ILE B 12 -5.351 -12.624 6.520 1.00 44.13 H new ATOM 0 HG12 ILE B 12 -4.772 -12.390 8.869 1.00 14.45 H new ATOM 0 HG13 ILE B 12 -3.477 -13.236 8.045 1.00 14.45 H new ATOM 0 HG21 ILE B 12 -3.050 -12.896 5.646 1.00 14.20 H new ATOM 0 HG22 ILE B 12 -4.002 -11.730 4.696 1.00 14.20 H new ATOM 0 HG23 ILE B 12 -2.779 -11.149 5.851 1.00 14.20 H new ATOM 0 HD11 ILE B 12 -2.592 -11.636 9.658 1.00 40.13 H new ATOM 0 HD12 ILE B 12 -2.136 -11.168 8.003 1.00 40.13 H new ATOM 0 HD13 ILE B 12 -3.452 -10.310 8.840 1.00 40.13 H new ATOM 1753 N LEU B 13 -6.420 -9.018 5.223 1.00 44.33 N ATOM 1754 CA LEU B 13 -7.324 -8.651 4.130 1.00 52.25 C ATOM 1755 C LEU B 13 -6.549 -8.527 2.827 1.00 50.03 C ATOM 1756 O LEU B 13 -5.987 -7.476 2.523 1.00 14.22 O ATOM 1757 CB LEU B 13 -8.078 -7.343 4.465 1.00 1.44 C ATOM 1758 CG LEU B 13 -8.977 -7.417 5.729 1.00 54.34 C ATOM 1759 CD1 LEU B 13 -9.685 -6.086 5.984 1.00 41.10 C ATOM 1760 CD2 LEU B 13 -9.987 -8.583 5.637 1.00 52.23 C ATOM 0 H LEU B 13 -5.945 -8.223 5.651 1.00 44.33 H new ATOM 0 HA LEU B 13 -8.067 -9.439 4.007 1.00 52.25 H new ATOM 0 HB2 LEU B 13 -7.349 -6.544 4.601 1.00 1.44 H new ATOM 0 HB3 LEU B 13 -8.697 -7.068 3.611 1.00 1.44 H new ATOM 0 HG LEU B 13 -8.328 -7.615 6.582 1.00 54.34 H new ATOM 0 HD11 LEU B 13 -10.307 -6.170 6.875 1.00 41.10 H new ATOM 0 HD12 LEU B 13 -8.943 -5.301 6.131 1.00 41.10 H new ATOM 0 HD13 LEU B 13 -10.311 -5.837 5.127 1.00 41.10 H new ATOM 0 HD21 LEU B 13 -10.600 -8.605 6.538 1.00 52.23 H new ATOM 0 HD22 LEU B 13 -10.627 -8.442 4.766 1.00 52.23 H new ATOM 0 HD23 LEU B 13 -9.447 -9.525 5.542 1.00 52.23 H new ATOM 1772 N GLU B 14 -6.512 -9.628 2.077 1.00 64.42 N ATOM 1773 CA GLU B 14 -5.828 -9.696 0.778 1.00 55.21 C ATOM 1774 C GLU B 14 -6.838 -9.366 -0.342 1.00 15.34 C ATOM 1775 O GLU B 14 -7.645 -10.206 -0.753 1.00 52.11 O ATOM 1776 CB GLU B 14 -5.098 -11.077 0.591 1.00 45.22 C ATOM 1777 CG GLU B 14 -5.752 -12.270 1.314 1.00 24.11 C ATOM 1778 CD GLU B 14 -4.905 -13.554 1.290 1.00 42.32 C ATOM 1779 OE1 GLU B 14 -4.927 -14.275 0.273 1.00 73.32 O ATOM 1780 OE2 GLU B 14 -4.216 -13.855 2.291 1.00 63.01 O ATOM 0 H GLU B 14 -6.957 -10.504 2.351 1.00 64.42 H new ATOM 0 HA GLU B 14 -5.035 -8.949 0.730 1.00 55.21 H new ATOM 0 HB2 GLU B 14 -5.048 -11.302 -0.474 1.00 45.22 H new ATOM 0 HB3 GLU B 14 -4.072 -10.978 0.944 1.00 45.22 H new ATOM 0 HG2 GLU B 14 -5.945 -11.993 2.350 1.00 24.11 H new ATOM 0 HG3 GLU B 14 -6.719 -12.475 0.854 1.00 24.11 H new ATOM 1787 N LEU B 15 -6.800 -8.097 -0.791 1.00 5.22 N ATOM 1788 CA LEU B 15 -7.693 -7.563 -1.829 1.00 54.14 C ATOM 1789 C LEU B 15 -7.086 -7.854 -3.201 1.00 12.24 C ATOM 1790 O LEU B 15 -6.100 -7.227 -3.588 1.00 12.40 O ATOM 1791 CB LEU B 15 -7.888 -6.014 -1.680 1.00 2.31 C ATOM 1792 CG LEU B 15 -8.884 -5.508 -0.590 1.00 13.14 C ATOM 1793 CD1 LEU B 15 -10.320 -5.977 -0.873 1.00 3.13 C ATOM 1794 CD2 LEU B 15 -8.429 -5.866 0.845 1.00 71.11 C ATOM 0 H LEU B 15 -6.138 -7.407 -0.436 1.00 5.22 H new ATOM 0 HA LEU B 15 -8.666 -8.043 -1.722 1.00 54.14 H new ATOM 0 HB2 LEU B 15 -6.913 -5.572 -1.474 1.00 2.31 H new ATOM 0 HB3 LEU B 15 -8.218 -5.624 -2.643 1.00 2.31 H new ATOM 0 HG LEU B 15 -8.881 -4.419 -0.647 1.00 13.14 H new ATOM 0 HD11 LEU B 15 -10.985 -5.605 -0.093 1.00 3.13 H new ATOM 0 HD12 LEU B 15 -10.645 -5.592 -1.840 1.00 3.13 H new ATOM 0 HD13 LEU B 15 -10.351 -7.066 -0.887 1.00 3.13 H new ATOM 0 HD21 LEU B 15 -9.158 -5.490 1.562 1.00 71.11 H new ATOM 0 HD22 LEU B 15 -8.349 -6.949 0.942 1.00 71.11 H new ATOM 0 HD23 LEU B 15 -7.458 -5.412 1.043 1.00 71.11 H new ATOM 1806 N THR B 16 -7.704 -8.779 -3.936 1.00 63.30 N ATOM 1807 CA THR B 16 -7.291 -9.113 -5.295 1.00 54.03 C ATOM 1808 C THR B 16 -7.957 -8.122 -6.245 1.00 62.12 C ATOM 1809 O THR B 16 -9.141 -8.242 -6.565 1.00 4.12 O ATOM 1810 CB THR B 16 -7.674 -10.578 -5.686 1.00 31.43 C ATOM 1811 OG1 THR B 16 -6.927 -11.503 -4.875 1.00 41.14 O ATOM 1812 CG2 THR B 16 -7.414 -10.861 -7.187 1.00 42.20 C ATOM 0 H THR B 16 -8.505 -9.317 -3.604 1.00 63.30 H new ATOM 0 HA THR B 16 -6.205 -9.047 -5.361 1.00 54.03 H new ATOM 0 HB THR B 16 -8.742 -10.706 -5.508 1.00 31.43 H new ATOM 0 HG1 THR B 16 -7.542 -12.003 -4.298 1.00 41.14 H new ATOM 0 HG21 THR B 16 -7.693 -11.889 -7.417 1.00 42.20 H new ATOM 0 HG22 THR B 16 -8.009 -10.179 -7.794 1.00 42.20 H new ATOM 0 HG23 THR B 16 -6.357 -10.714 -7.407 1.00 42.20 H new ATOM 1820 N VAL B 17 -7.190 -7.097 -6.611 1.00 23.21 N ATOM 1821 CA VAL B 17 -7.612 -6.057 -7.532 1.00 12.32 C ATOM 1822 C VAL B 17 -6.826 -6.171 -8.850 1.00 33.24 C ATOM 1823 O VAL B 17 -5.640 -6.515 -8.859 1.00 41.42 O ATOM 1824 CB VAL B 17 -7.428 -4.620 -6.903 1.00 22.12 C ATOM 1825 CG1 VAL B 17 -8.135 -4.506 -5.527 1.00 73.33 C ATOM 1826 CG2 VAL B 17 -5.941 -4.218 -6.796 1.00 65.13 C ATOM 0 H VAL B 17 -6.239 -6.968 -6.265 1.00 23.21 H new ATOM 0 HA VAL B 17 -8.674 -6.195 -7.736 1.00 12.32 H new ATOM 0 HB VAL B 17 -7.905 -3.916 -7.585 1.00 22.12 H new ATOM 0 HG11 VAL B 17 -7.987 -3.504 -5.124 1.00 73.33 H new ATOM 0 HG12 VAL B 17 -9.202 -4.694 -5.649 1.00 73.33 H new ATOM 0 HG13 VAL B 17 -7.714 -5.239 -4.840 1.00 73.33 H new ATOM 0 HG21 VAL B 17 -5.864 -3.223 -6.358 1.00 65.13 H new ATOM 0 HG22 VAL B 17 -5.415 -4.934 -6.165 1.00 65.13 H new ATOM 0 HG23 VAL B 17 -5.493 -4.213 -7.790 1.00 65.13 H new ATOM 1836 N ARG B 18 -7.520 -5.931 -9.952 1.00 12.40 N ATOM 1837 CA ARG B 18 -6.891 -5.690 -11.263 1.00 1.44 C ATOM 1838 C ARG B 18 -6.350 -4.256 -11.252 1.00 22.34 C ATOM 1839 O ARG B 18 -7.089 -3.339 -10.882 1.00 71.24 O ATOM 1840 CB ARG B 18 -7.916 -5.922 -12.414 1.00 1.42 C ATOM 1841 CG ARG B 18 -9.349 -5.407 -12.115 1.00 1.12 C ATOM 1842 CD ARG B 18 -10.324 -5.555 -13.292 1.00 1.13 C ATOM 1843 NE ARG B 18 -10.104 -4.528 -14.328 1.00 22.41 N ATOM 1844 CZ ARG B 18 -10.669 -3.305 -14.329 1.00 22.41 C ATOM 1845 NH1 ARG B 18 -11.492 -2.933 -13.347 1.00 44.42 N ATOM 1846 NH2 ARG B 18 -10.414 -2.459 -15.315 1.00 33.10 N ATOM 0 H ARG B 18 -8.539 -5.896 -9.973 1.00 12.40 H new ATOM 0 HA ARG B 18 -6.072 -6.388 -11.440 1.00 1.44 H new ATOM 0 HB2 ARG B 18 -7.548 -5.431 -13.315 1.00 1.42 H new ATOM 0 HB3 ARG B 18 -7.965 -6.989 -12.630 1.00 1.42 H new ATOM 0 HG2 ARG B 18 -9.747 -5.948 -11.257 1.00 1.12 H new ATOM 0 HG3 ARG B 18 -9.295 -4.356 -11.832 1.00 1.12 H new ATOM 0 HD2 ARG B 18 -10.210 -6.545 -13.734 1.00 1.13 H new ATOM 0 HD3 ARG B 18 -11.348 -5.485 -12.925 1.00 1.13 H new ATOM 0 HE ARG B 18 -9.479 -4.761 -15.100 1.00 22.41 H new ATOM 0 HH11 ARG B 18 -11.700 -3.577 -12.584 1.00 44.42 H new ATOM 0 HH12 ARG B 18 -11.913 -2.004 -13.359 1.00 44.42 H new ATOM 0 HH21 ARG B 18 -9.790 -2.733 -16.074 1.00 33.10 H new ATOM 0 HH22 ARG B 18 -10.842 -1.533 -15.316 1.00 33.10 H new ATOM 1860 N ASN B 19 -5.058 -4.074 -11.627 1.00 43.14 N ATOM 1861 CA ASN B 19 -4.338 -2.792 -11.422 1.00 41.32 C ATOM 1862 C ASN B 19 -4.817 -1.702 -12.418 1.00 40.32 C ATOM 1863 O ASN B 19 -4.215 -1.456 -13.472 1.00 53.52 O ATOM 1864 CB ASN B 19 -2.791 -2.995 -11.460 1.00 32.35 C ATOM 1865 CG ASN B 19 -1.997 -1.766 -10.967 1.00 71.25 C ATOM 1866 OD1 ASN B 19 -2.509 -0.937 -10.211 1.00 44.20 O ATOM 1867 ND2 ASN B 19 -0.730 -1.655 -11.351 1.00 43.10 N ATOM 0 H ASN B 19 -4.495 -4.798 -12.072 1.00 43.14 H new ATOM 0 HA ASN B 19 -4.583 -2.430 -10.424 1.00 41.32 H new ATOM 0 HB2 ASN B 19 -2.530 -3.857 -10.845 1.00 32.35 H new ATOM 0 HB3 ASN B 19 -2.488 -3.228 -12.481 1.00 32.35 H new ATOM 0 HD21 ASN B 19 -0.163 -0.874 -11.020 1.00 43.10 H new ATOM 0 HD22 ASN B 19 -0.324 -2.351 -11.977 1.00 43.10 H new ATOM 1874 N HIS B 20 -5.960 -1.116 -12.055 1.00 51.34 N ATOM 1875 CA HIS B 20 -6.592 0.031 -12.717 1.00 24.10 C ATOM 1876 C HIS B 20 -6.104 1.313 -12.005 1.00 2.22 C ATOM 1877 O HIS B 20 -5.809 1.252 -10.807 1.00 40.11 O ATOM 1878 CB HIS B 20 -8.151 -0.149 -12.631 1.00 13.23 C ATOM 1879 CG HIS B 20 -8.979 1.074 -12.945 1.00 23.51 C ATOM 1880 ND1 HIS B 20 -9.398 1.402 -14.216 1.00 74.14 N ATOM 1881 CD2 HIS B 20 -9.464 2.053 -12.136 1.00 11.44 C ATOM 1882 CE1 HIS B 20 -10.104 2.515 -14.169 1.00 21.34 C ATOM 1883 NE2 HIS B 20 -10.154 2.926 -12.924 1.00 31.31 N ATOM 0 H HIS B 20 -6.497 -1.443 -11.252 1.00 51.34 H new ATOM 0 HA HIS B 20 -6.324 0.104 -13.771 1.00 24.10 H new ATOM 0 HB2 HIS B 20 -8.443 -0.946 -13.315 1.00 13.23 H new ATOM 0 HB3 HIS B 20 -8.403 -0.485 -11.625 1.00 13.23 H new ATOM 0 HD2 HIS B 20 -9.328 2.126 -11.067 1.00 11.44 H new ATOM 0 HE1 HIS B 20 -10.564 3.006 -15.014 1.00 21.34 H new ATOM 0 HE2 HIS B 20 -10.633 3.765 -12.597 1.00 31.31 H new ATOM 1892 N PRO B 21 -5.957 2.474 -12.731 1.00 11.52 N ATOM 1893 CA PRO B 21 -5.561 3.768 -12.115 1.00 53.10 C ATOM 1894 C PRO B 21 -6.361 4.129 -10.847 1.00 51.22 C ATOM 1895 O PRO B 21 -7.531 4.506 -10.931 1.00 13.13 O ATOM 1896 CB PRO B 21 -5.791 4.787 -13.256 1.00 33.04 C ATOM 1897 CG PRO B 21 -5.552 3.994 -14.508 1.00 62.01 C ATOM 1898 CD PRO B 21 -6.094 2.606 -14.218 1.00 62.34 C ATOM 0 HA PRO B 21 -4.533 3.743 -11.752 1.00 53.10 H new ATOM 0 HB2 PRO B 21 -6.802 5.194 -13.229 1.00 33.04 H new ATOM 0 HB3 PRO B 21 -5.105 5.631 -13.181 1.00 33.04 H new ATOM 0 HG2 PRO B 21 -6.061 4.444 -15.361 1.00 62.01 H new ATOM 0 HG3 PRO B 21 -4.491 3.958 -14.753 1.00 62.01 H new ATOM 0 HD2 PRO B 21 -7.132 2.507 -14.535 1.00 62.34 H new ATOM 0 HD3 PRO B 21 -5.527 1.837 -14.742 1.00 62.34 H new ATOM 1906 N GLY B 22 -5.723 3.917 -9.677 1.00 12.55 N ATOM 1907 CA GLY B 22 -6.264 4.344 -8.389 1.00 62.33 C ATOM 1908 C GLY B 22 -6.866 3.225 -7.545 1.00 31.31 C ATOM 1909 O GLY B 22 -7.550 3.521 -6.567 1.00 1.32 O ATOM 0 H GLY B 22 -4.821 3.445 -9.609 1.00 12.55 H new ATOM 0 HA2 GLY B 22 -5.469 4.823 -7.818 1.00 62.33 H new ATOM 0 HA3 GLY B 22 -7.030 5.099 -8.565 1.00 62.33 H new ATOM 1913 N VAL B 23 -6.612 1.944 -7.887 1.00 54.21 N ATOM 1914 CA VAL B 23 -7.123 0.799 -7.080 1.00 5.24 C ATOM 1915 C VAL B 23 -6.486 0.765 -5.677 1.00 41.14 C ATOM 1916 O VAL B 23 -7.155 0.441 -4.685 1.00 54.20 O ATOM 1917 CB VAL B 23 -6.920 -0.587 -7.795 1.00 63.43 C ATOM 1918 CG1 VAL B 23 -7.739 -0.644 -9.079 1.00 32.32 C ATOM 1919 CG2 VAL B 23 -5.435 -0.899 -8.097 1.00 25.40 C ATOM 0 H VAL B 23 -6.065 1.672 -8.703 1.00 54.21 H new ATOM 0 HA VAL B 23 -8.196 0.963 -6.976 1.00 5.24 H new ATOM 0 HB VAL B 23 -7.269 -1.351 -7.101 1.00 63.43 H new ATOM 0 HG11 VAL B 23 -7.589 -1.609 -9.564 1.00 32.32 H new ATOM 0 HG12 VAL B 23 -8.795 -0.517 -8.843 1.00 32.32 H new ATOM 0 HG13 VAL B 23 -7.419 0.153 -9.750 1.00 32.32 H new ATOM 0 HG21 VAL B 23 -5.360 -1.868 -8.590 1.00 25.40 H new ATOM 0 HG22 VAL B 23 -5.026 -0.127 -8.749 1.00 25.40 H new ATOM 0 HG23 VAL B 23 -4.871 -0.922 -7.164 1.00 25.40 H new ATOM 1929 N MET B 24 -5.199 1.129 -5.619 1.00 63.33 N ATOM 1930 CA MET B 24 -4.459 1.276 -4.363 1.00 40.44 C ATOM 1931 C MET B 24 -5.000 2.475 -3.549 1.00 33.10 C ATOM 1932 O MET B 24 -4.989 2.452 -2.322 1.00 14.52 O ATOM 1933 CB MET B 24 -2.933 1.404 -4.633 1.00 50.21 C ATOM 1934 CG MET B 24 -2.493 2.594 -5.513 1.00 21.12 C ATOM 1935 SD MET B 24 -3.111 2.517 -7.214 1.00 32.43 S ATOM 1936 CE MET B 24 -2.296 3.932 -7.956 1.00 23.45 C ATOM 0 H MET B 24 -4.640 1.331 -6.448 1.00 63.33 H new ATOM 0 HA MET B 24 -4.609 0.378 -3.764 1.00 40.44 H new ATOM 0 HB2 MET B 24 -2.421 1.480 -3.674 1.00 50.21 H new ATOM 0 HB3 MET B 24 -2.590 0.483 -5.106 1.00 50.21 H new ATOM 0 HG2 MET B 24 -2.838 3.520 -5.053 1.00 21.12 H new ATOM 0 HG3 MET B 24 -1.404 2.635 -5.534 1.00 21.12 H new ATOM 0 HE1 MET B 24 -2.796 4.192 -8.889 1.00 23.45 H new ATOM 0 HE2 MET B 24 -2.342 4.779 -7.271 1.00 23.45 H new ATOM 0 HE3 MET B 24 -1.254 3.686 -8.160 1.00 23.45 H new ATOM 1946 N THR B 25 -5.508 3.504 -4.254 1.00 30.35 N ATOM 1947 CA THR B 25 -6.135 4.682 -3.624 1.00 50.30 C ATOM 1948 C THR B 25 -7.533 4.322 -3.060 1.00 4.03 C ATOM 1949 O THR B 25 -7.977 4.895 -2.060 1.00 71.10 O ATOM 1950 CB THR B 25 -6.248 5.855 -4.656 1.00 50.33 C ATOM 1951 OG1 THR B 25 -5.022 5.945 -5.407 1.00 41.14 O ATOM 1952 CG2 THR B 25 -6.530 7.211 -3.977 1.00 33.35 C ATOM 0 H THR B 25 -5.496 3.542 -5.273 1.00 30.35 H new ATOM 0 HA THR B 25 -5.505 5.005 -2.796 1.00 50.30 H new ATOM 0 HB THR B 25 -7.090 5.636 -5.313 1.00 50.33 H new ATOM 0 HG1 THR B 25 -5.024 6.768 -5.939 1.00 41.14 H new ATOM 0 HG21 THR B 25 -6.599 7.990 -4.736 1.00 33.35 H new ATOM 0 HG22 THR B 25 -7.470 7.155 -3.428 1.00 33.35 H new ATOM 0 HG23 THR B 25 -5.720 7.448 -3.287 1.00 33.35 H new ATOM 1960 N HIS B 26 -8.202 3.344 -3.717 1.00 1.12 N ATOM 1961 CA HIS B 26 -9.532 2.844 -3.304 1.00 4.12 C ATOM 1962 C HIS B 26 -9.424 2.033 -1.999 1.00 51.14 C ATOM 1963 O HIS B 26 -10.212 2.250 -1.072 1.00 64.55 O ATOM 1964 CB HIS B 26 -10.195 1.984 -4.432 1.00 62.23 C ATOM 1965 CG HIS B 26 -10.635 2.762 -5.655 1.00 11.31 C ATOM 1966 ND1 HIS B 26 -11.389 2.212 -6.672 1.00 41.13 N ATOM 1967 CD2 HIS B 26 -10.425 4.051 -6.022 1.00 21.33 C ATOM 1968 CE1 HIS B 26 -11.620 3.127 -7.591 1.00 32.43 C ATOM 1969 NE2 HIS B 26 -11.049 4.246 -7.218 1.00 45.32 N ATOM 0 H HIS B 26 -7.833 2.881 -4.548 1.00 1.12 H new ATOM 0 HA HIS B 26 -10.171 3.709 -3.126 1.00 4.12 H new ATOM 0 HB2 HIS B 26 -9.489 1.215 -4.744 1.00 62.23 H new ATOM 0 HB3 HIS B 26 -11.062 1.471 -4.015 1.00 62.23 H new ATOM 0 HD2 HIS B 26 -9.865 4.789 -5.467 1.00 21.33 H new ATOM 0 HE1 HIS B 26 -12.185 2.980 -8.499 1.00 32.43 H new ATOM 0 HE2 HIS B 26 -11.068 5.123 -7.739 1.00 45.32 H new ATOM 1978 N VAL B 27 -8.429 1.114 -1.925 1.00 64.21 N ATOM 1979 CA VAL B 27 -8.236 0.252 -0.734 1.00 31.02 C ATOM 1980 C VAL B 27 -7.804 1.090 0.486 1.00 24.30 C ATOM 1981 O VAL B 27 -8.290 0.880 1.594 1.00 52.13 O ATOM 1982 CB VAL B 27 -7.227 -0.943 -0.989 1.00 41.31 C ATOM 1983 CG1 VAL B 27 -7.699 -1.837 -2.163 1.00 43.24 C ATOM 1984 CG2 VAL B 27 -5.775 -0.464 -1.213 1.00 31.13 C ATOM 0 H VAL B 27 -7.753 0.952 -2.671 1.00 64.21 H new ATOM 0 HA VAL B 27 -9.203 -0.204 -0.522 1.00 31.02 H new ATOM 0 HB VAL B 27 -7.225 -1.541 -0.078 1.00 41.31 H new ATOM 0 HG11 VAL B 27 -6.986 -2.647 -2.313 1.00 43.24 H new ATOM 0 HG12 VAL B 27 -8.679 -2.254 -1.931 1.00 43.24 H new ATOM 0 HG13 VAL B 27 -7.765 -1.239 -3.072 1.00 43.24 H new ATOM 0 HG21 VAL B 27 -5.130 -1.326 -1.382 1.00 31.13 H new ATOM 0 HG22 VAL B 27 -5.739 0.193 -2.082 1.00 31.13 H new ATOM 0 HG23 VAL B 27 -5.431 0.079 -0.333 1.00 31.13 H new ATOM 1994 N CYS B 28 -6.922 2.070 0.249 1.00 34.13 N ATOM 1995 CA CYS B 28 -6.445 2.986 1.288 1.00 14.50 C ATOM 1996 C CYS B 28 -7.552 3.972 1.723 1.00 35.23 C ATOM 1997 O CYS B 28 -7.621 4.355 2.894 1.00 13.33 O ATOM 1998 CB CYS B 28 -5.207 3.731 0.767 1.00 23.41 C ATOM 1999 SG CYS B 28 -3.791 2.650 0.448 1.00 12.01 S ATOM 0 H CYS B 28 -6.520 2.248 -0.671 1.00 34.13 H new ATOM 0 HA CYS B 28 -6.172 2.411 2.173 1.00 14.50 H new ATOM 0 HB2 CYS B 28 -5.469 4.254 -0.153 1.00 23.41 H new ATOM 0 HB3 CYS B 28 -4.917 4.490 1.494 1.00 23.41 H new ATOM 0 HG CYS B 28 -3.740 2.364 -0.819 1.00 12.01 H new ATOM 2005 N GLY B 29 -8.423 4.345 0.762 1.00 21.44 N ATOM 2006 CA GLY B 29 -9.488 5.322 0.990 1.00 65.33 C ATOM 2007 C GLY B 29 -10.597 4.802 1.902 1.00 43.52 C ATOM 2008 O GLY B 29 -11.037 5.511 2.816 1.00 32.33 O ATOM 0 H GLY B 29 -8.401 3.974 -0.188 1.00 21.44 H new ATOM 0 HA2 GLY B 29 -9.058 6.222 1.429 1.00 65.33 H new ATOM 0 HA3 GLY B 29 -9.920 5.609 0.031 1.00 65.33 H new ATOM 2012 N LEU B 30 -11.031 3.554 1.659 1.00 53.12 N ATOM 2013 CA LEU B 30 -12.086 2.899 2.460 1.00 64.03 C ATOM 2014 C LEU B 30 -11.639 2.718 3.926 1.00 4.43 C ATOM 2015 O LEU B 30 -12.403 2.975 4.856 1.00 31.43 O ATOM 2016 CB LEU B 30 -12.502 1.528 1.819 1.00 52.12 C ATOM 2017 CG LEU B 30 -13.731 1.558 0.842 1.00 62.12 C ATOM 2018 CD1 LEU B 30 -15.016 2.043 1.558 1.00 74.31 C ATOM 2019 CD2 LEU B 30 -13.449 2.394 -0.428 1.00 73.02 C ATOM 0 H LEU B 30 -10.665 2.971 0.907 1.00 53.12 H new ATOM 0 HA LEU B 30 -12.962 3.548 2.461 1.00 64.03 H new ATOM 0 HB2 LEU B 30 -11.644 1.130 1.277 1.00 52.12 H new ATOM 0 HB3 LEU B 30 -12.723 0.827 2.624 1.00 52.12 H new ATOM 0 HG LEU B 30 -13.898 0.531 0.518 1.00 62.12 H new ATOM 0 HD11 LEU B 30 -15.846 2.051 0.851 1.00 74.31 H new ATOM 0 HD12 LEU B 30 -15.249 1.370 2.383 1.00 74.31 H new ATOM 0 HD13 LEU B 30 -14.859 3.050 1.944 1.00 74.31 H new ATOM 0 HD21 LEU B 30 -14.328 2.385 -1.072 1.00 73.02 H new ATOM 0 HD22 LEU B 30 -13.218 3.421 -0.144 1.00 73.02 H new ATOM 0 HD23 LEU B 30 -12.602 1.967 -0.964 1.00 73.02 H new ATOM 2031 N PHE B 31 -10.387 2.302 4.109 1.00 21.23 N ATOM 2032 CA PHE B 31 -9.819 2.024 5.443 1.00 61.03 C ATOM 2033 C PHE B 31 -9.527 3.330 6.217 1.00 3.22 C ATOM 2034 O PHE B 31 -9.583 3.353 7.452 1.00 3.23 O ATOM 2035 CB PHE B 31 -8.564 1.120 5.299 1.00 2.33 C ATOM 2036 CG PHE B 31 -8.896 -0.334 4.908 1.00 32.14 C ATOM 2037 CD1 PHE B 31 -9.661 -0.626 3.769 1.00 25.34 C ATOM 2038 CD2 PHE B 31 -8.458 -1.406 5.684 1.00 25.42 C ATOM 2039 CE1 PHE B 31 -9.973 -1.926 3.425 1.00 1.43 C ATOM 2040 CE2 PHE B 31 -8.772 -2.706 5.333 1.00 31.11 C ATOM 2041 CZ PHE B 31 -9.527 -2.965 4.206 1.00 50.01 C ATOM 0 H PHE B 31 -9.732 2.146 3.343 1.00 21.23 H new ATOM 0 HA PHE B 31 -10.554 1.482 6.038 1.00 61.03 H new ATOM 0 HB2 PHE B 31 -7.902 1.548 4.547 1.00 2.33 H new ATOM 0 HB3 PHE B 31 -8.017 1.119 6.242 1.00 2.33 H new ATOM 0 HD1 PHE B 31 -10.014 0.184 3.148 1.00 25.34 H new ATOM 0 HD2 PHE B 31 -7.867 -1.219 6.569 1.00 25.42 H new ATOM 0 HE1 PHE B 31 -10.566 -2.126 2.545 1.00 1.43 H new ATOM 0 HE2 PHE B 31 -8.424 -3.525 5.945 1.00 31.11 H new ATOM 0 HZ PHE B 31 -9.767 -3.984 3.939 1.00 50.01 H new ATOM 2051 N ALA B 32 -9.240 4.413 5.467 1.00 35.53 N ATOM 2052 CA ALA B 32 -9.013 5.755 6.035 1.00 41.02 C ATOM 2053 C ALA B 32 -10.305 6.350 6.624 1.00 44.43 C ATOM 2054 O ALA B 32 -10.270 7.001 7.674 1.00 61.24 O ATOM 2055 CB ALA B 32 -8.441 6.698 4.961 1.00 33.11 C ATOM 0 H ALA B 32 -9.159 4.381 4.451 1.00 35.53 H new ATOM 0 HA ALA B 32 -8.293 5.652 6.846 1.00 41.02 H new ATOM 0 HB1 ALA B 32 -8.278 7.685 5.393 1.00 33.11 H new ATOM 0 HB2 ALA B 32 -7.494 6.301 4.595 1.00 33.11 H new ATOM 0 HB3 ALA B 32 -9.145 6.776 4.133 1.00 33.11 H new ATOM 2061 N ARG B 33 -11.449 6.107 5.946 1.00 44.33 N ATOM 2062 CA ARG B 33 -12.745 6.730 6.315 1.00 64.10 C ATOM 2063 C ARG B 33 -13.410 6.020 7.510 1.00 2.44 C ATOM 2064 O ARG B 33 -14.404 6.526 8.048 1.00 25.21 O ATOM 2065 CB ARG B 33 -13.710 6.763 5.094 1.00 5.14 C ATOM 2066 CG ARG B 33 -14.343 5.401 4.726 1.00 33.23 C ATOM 2067 CD ARG B 33 -15.124 5.430 3.406 1.00 3.23 C ATOM 2068 NE ARG B 33 -16.257 6.376 3.432 1.00 55.33 N ATOM 2069 CZ ARG B 33 -16.848 6.903 2.344 1.00 2.34 C ATOM 2070 NH1 ARG B 33 -16.432 6.593 1.116 1.00 13.23 N ATOM 2071 NH2 ARG B 33 -17.861 7.741 2.490 1.00 33.22 N ATOM 0 H ARG B 33 -11.503 5.484 5.140 1.00 44.33 H new ATOM 0 HA ARG B 33 -12.532 7.754 6.622 1.00 64.10 H new ATOM 0 HB2 ARG B 33 -14.509 7.474 5.301 1.00 5.14 H new ATOM 0 HB3 ARG B 33 -13.164 7.139 4.229 1.00 5.14 H new ATOM 0 HG2 ARG B 33 -13.556 4.650 4.658 1.00 33.23 H new ATOM 0 HG3 ARG B 33 -15.012 5.091 5.529 1.00 33.23 H new ATOM 0 HD2 ARG B 33 -14.448 5.702 2.595 1.00 3.23 H new ATOM 0 HD3 ARG B 33 -15.497 4.429 3.188 1.00 3.23 H new ATOM 0 HE ARG B 33 -16.620 6.651 4.345 1.00 55.33 H new ATOM 0 HH11 ARG B 33 -15.653 5.946 0.989 1.00 13.23 H new ATOM 0 HH12 ARG B 33 -16.892 7.002 0.303 1.00 13.23 H new ATOM 0 HH21 ARG B 33 -18.191 7.985 3.424 1.00 33.22 H new ATOM 0 HH22 ARG B 33 -18.313 8.143 1.669 1.00 33.22 H new ATOM 2085 N ARG B 34 -12.854 4.863 7.921 1.00 3.41 N ATOM 2086 CA ARG B 34 -13.353 4.095 9.065 1.00 64.32 C ATOM 2087 C ARG B 34 -13.129 4.912 10.357 1.00 72.04 C ATOM 2088 O ARG B 34 -14.056 5.568 10.848 1.00 42.43 O ATOM 2089 CB ARG B 34 -12.636 2.707 9.139 1.00 32.25 C ATOM 2090 CG ARG B 34 -12.941 1.893 10.425 1.00 22.11 C ATOM 2091 CD ARG B 34 -12.025 0.668 10.604 1.00 70.23 C ATOM 2092 NE ARG B 34 -12.018 0.199 12.001 1.00 12.10 N ATOM 2093 CZ ARG B 34 -11.089 -0.599 12.546 1.00 23.21 C ATOM 2094 NH1 ARG B 34 -10.065 -1.057 11.829 1.00 72.24 N ATOM 2095 NH2 ARG B 34 -11.202 -0.942 13.818 1.00 73.04 N ATOM 0 H ARG B 34 -12.046 4.440 7.465 1.00 3.41 H new ATOM 0 HA ARG B 34 -14.420 3.908 8.949 1.00 64.32 H new ATOM 0 HB2 ARG B 34 -12.928 2.115 8.272 1.00 32.25 H new ATOM 0 HB3 ARG B 34 -11.560 2.864 9.070 1.00 32.25 H new ATOM 0 HG2 ARG B 34 -12.837 2.545 11.292 1.00 22.11 H new ATOM 0 HG3 ARG B 34 -13.979 1.561 10.398 1.00 22.11 H new ATOM 0 HD2 ARG B 34 -12.360 -0.137 9.950 1.00 70.23 H new ATOM 0 HD3 ARG B 34 -11.010 0.924 10.300 1.00 70.23 H new ATOM 0 HE ARG B 34 -12.782 0.507 12.602 1.00 12.10 H new ATOM 0 HH11 ARG B 34 -9.976 -0.802 10.845 1.00 72.24 H new ATOM 0 HH12 ARG B 34 -9.369 -1.663 12.263 1.00 72.24 H new ATOM 0 HH21 ARG B 34 -11.988 -0.600 14.371 1.00 73.04 H new ATOM 0 HH22 ARG B 34 -10.503 -1.549 14.247 1.00 73.04 H new ATOM 2109 N ALA B 35 -11.871 4.897 10.843 1.00 4.22 N ATOM 2110 CA ALA B 35 -11.456 5.508 12.121 1.00 34.32 C ATOM 2111 C ALA B 35 -9.986 5.162 12.366 1.00 42.14 C ATOM 2112 O ALA B 35 -9.139 6.036 12.559 1.00 74.54 O ATOM 2113 CB ALA B 35 -12.324 5.021 13.305 1.00 64.24 C ATOM 0 H ALA B 35 -11.100 4.450 10.347 1.00 4.22 H new ATOM 0 HA ALA B 35 -11.590 6.588 12.053 1.00 34.32 H new ATOM 0 HB1 ALA B 35 -11.984 5.496 14.225 1.00 64.24 H new ATOM 0 HB2 ALA B 35 -13.366 5.285 13.125 1.00 64.24 H new ATOM 0 HB3 ALA B 35 -12.235 3.939 13.401 1.00 64.24 H new ATOM 2119 N PHE B 36 -9.714 3.845 12.321 1.00 24.30 N ATOM 2120 CA PHE B 36 -8.396 3.268 12.628 1.00 74.25 C ATOM 2121 C PHE B 36 -7.644 3.015 11.313 1.00 13.20 C ATOM 2122 O PHE B 36 -8.236 2.520 10.344 1.00 32.44 O ATOM 2123 CB PHE B 36 -8.558 1.952 13.440 1.00 53.40 C ATOM 2124 CG PHE B 36 -7.236 1.310 13.886 1.00 32.23 C ATOM 2125 CD1 PHE B 36 -6.489 1.866 14.926 1.00 34.31 C ATOM 2126 CD2 PHE B 36 -6.737 0.163 13.262 1.00 44.33 C ATOM 2127 CE1 PHE B 36 -5.294 1.294 15.330 1.00 65.35 C ATOM 2128 CE2 PHE B 36 -5.540 -0.407 13.667 1.00 21.04 C ATOM 2129 CZ PHE B 36 -4.819 0.160 14.698 1.00 61.04 C ATOM 0 H PHE B 36 -10.412 3.146 12.068 1.00 24.30 H new ATOM 0 HA PHE B 36 -7.822 3.965 13.239 1.00 74.25 H new ATOM 0 HB2 PHE B 36 -9.163 2.157 14.323 1.00 53.40 H new ATOM 0 HB3 PHE B 36 -9.110 1.233 12.835 1.00 53.40 H new ATOM 0 HD1 PHE B 36 -6.848 2.755 15.423 1.00 34.31 H new ATOM 0 HD2 PHE B 36 -7.293 -0.286 12.452 1.00 44.33 H new ATOM 0 HE1 PHE B 36 -4.732 1.735 16.140 1.00 65.35 H new ATOM 0 HE2 PHE B 36 -5.172 -1.295 13.175 1.00 21.04 H new ATOM 0 HZ PHE B 36 -3.884 -0.282 15.011 1.00 61.04 H new ATOM 2139 N ASN B 37 -6.346 3.351 11.302 1.00 55.01 N ATOM 2140 CA ASN B 37 -5.491 3.252 10.102 1.00 13.12 C ATOM 2141 C ASN B 37 -4.984 1.819 9.905 1.00 21.44 C ATOM 2142 O ASN B 37 -5.099 0.977 10.797 1.00 31.42 O ATOM 2143 CB ASN B 37 -4.279 4.216 10.216 1.00 54.31 C ATOM 2144 CG ASN B 37 -4.665 5.654 10.539 1.00 52.11 C ATOM 2145 OD1 ASN B 37 -5.783 6.094 10.271 1.00 3.11 O ATOM 2146 ND2 ASN B 37 -3.729 6.403 11.100 1.00 34.32 N ATOM 0 H ASN B 37 -5.855 3.700 12.125 1.00 55.01 H new ATOM 0 HA ASN B 37 -6.097 3.533 9.240 1.00 13.12 H new ATOM 0 HB2 ASN B 37 -3.606 3.848 10.990 1.00 54.31 H new ATOM 0 HB3 ASN B 37 -3.725 4.200 9.278 1.00 54.31 H new ATOM 0 HD21 ASN B 37 -3.923 7.379 11.324 1.00 34.32 H new ATOM 0 HD22 ASN B 37 -2.813 6.004 11.308 1.00 34.32 H new ATOM 2153 N VAL B 38 -4.407 1.558 8.731 1.00 41.41 N ATOM 2154 CA VAL B 38 -3.763 0.275 8.433 1.00 54.43 C ATOM 2155 C VAL B 38 -2.358 0.262 9.064 1.00 74.34 C ATOM 2156 O VAL B 38 -1.612 1.244 8.937 1.00 12.30 O ATOM 2157 CB VAL B 38 -3.673 0.016 6.883 1.00 53.42 C ATOM 2158 CG1 VAL B 38 -3.122 -1.394 6.579 1.00 61.11 C ATOM 2159 CG2 VAL B 38 -5.044 0.220 6.203 1.00 63.13 C ATOM 0 H VAL B 38 -4.372 2.227 7.961 1.00 41.41 H new ATOM 0 HA VAL B 38 -4.368 -0.526 8.857 1.00 54.43 H new ATOM 0 HB VAL B 38 -2.976 0.746 6.472 1.00 53.42 H new ATOM 0 HG11 VAL B 38 -3.073 -1.541 5.500 1.00 61.11 H new ATOM 0 HG12 VAL B 38 -2.124 -1.494 7.005 1.00 61.11 H new ATOM 0 HG13 VAL B 38 -3.780 -2.144 7.017 1.00 61.11 H new ATOM 0 HG21 VAL B 38 -4.951 0.034 5.133 1.00 63.13 H new ATOM 0 HG22 VAL B 38 -5.769 -0.473 6.630 1.00 63.13 H new ATOM 0 HG23 VAL B 38 -5.382 1.243 6.365 1.00 63.13 H new ATOM 2169 N GLU B 39 -2.037 -0.833 9.769 1.00 22.41 N ATOM 2170 CA GLU B 39 -0.735 -1.023 10.437 1.00 51.41 C ATOM 2171 C GLU B 39 0.338 -1.263 9.355 1.00 13.40 C ATOM 2172 O GLU B 39 1.290 -0.492 9.231 1.00 24.13 O ATOM 2173 CB GLU B 39 -0.837 -2.220 11.453 1.00 4.34 C ATOM 2174 CG GLU B 39 -0.089 -2.056 12.811 1.00 2.14 C ATOM 2175 CD GLU B 39 1.429 -2.348 12.780 1.00 41.04 C ATOM 2176 OE1 GLU B 39 1.817 -3.521 12.554 1.00 64.23 O ATOM 2177 OE2 GLU B 39 2.243 -1.440 13.062 1.00 75.21 O ATOM 0 H GLU B 39 -2.676 -1.618 9.894 1.00 22.41 H new ATOM 0 HA GLU B 39 -0.452 -0.138 11.008 1.00 51.41 H new ATOM 0 HB2 GLU B 39 -1.891 -2.396 11.665 1.00 4.34 H new ATOM 0 HB3 GLU B 39 -0.457 -3.116 10.962 1.00 4.34 H new ATOM 0 HG2 GLU B 39 -0.237 -1.036 13.165 1.00 2.14 H new ATOM 0 HG3 GLU B 39 -0.553 -2.718 13.542 1.00 2.14 H new ATOM 2184 N GLY B 40 0.100 -2.288 8.513 1.00 60.41 N ATOM 2185 CA GLY B 40 1.056 -2.702 7.475 1.00 54.11 C ATOM 2186 C GLY B 40 0.362 -3.006 6.158 1.00 63.24 C ATOM 2187 O GLY B 40 -0.794 -3.415 6.152 1.00 41.11 O ATOM 0 H GLY B 40 -0.754 -2.846 8.535 1.00 60.41 H new ATOM 0 HA2 GLY B 40 1.793 -1.913 7.324 1.00 54.11 H new ATOM 0 HA3 GLY B 40 1.599 -3.585 7.812 1.00 54.11 H new ATOM 2191 N ILE B 41 1.064 -2.804 5.030 1.00 45.23 N ATOM 2192 CA ILE B 41 0.514 -3.037 3.666 1.00 1.31 C ATOM 2193 C ILE B 41 1.525 -3.860 2.854 1.00 60.40 C ATOM 2194 O ILE B 41 2.731 -3.679 3.015 1.00 62.31 O ATOM 2195 CB ILE B 41 0.218 -1.675 2.912 1.00 55.43 C ATOM 2196 CG1 ILE B 41 -0.748 -0.770 3.743 1.00 15.41 C ATOM 2197 CG2 ILE B 41 -0.332 -1.907 1.484 1.00 41.21 C ATOM 2198 CD1 ILE B 41 -1.015 0.601 3.144 1.00 2.15 C ATOM 0 H ILE B 41 2.029 -2.475 5.029 1.00 45.23 H new ATOM 0 HA ILE B 41 -0.429 -3.575 3.765 1.00 1.31 H new ATOM 0 HB ILE B 41 1.170 -1.154 2.809 1.00 55.43 H new ATOM 0 HG12 ILE B 41 -1.699 -1.290 3.861 1.00 15.41 H new ATOM 0 HG13 ILE B 41 -0.331 -0.639 4.741 1.00 15.41 H new ATOM 0 HG21 ILE B 41 -0.520 -0.946 1.006 1.00 41.21 H new ATOM 0 HG22 ILE B 41 0.398 -2.466 0.899 1.00 41.21 H new ATOM 0 HG23 ILE B 41 -1.262 -2.473 1.540 1.00 41.21 H new ATOM 0 HD11 ILE B 41 -1.695 1.155 3.791 1.00 2.15 H new ATOM 0 HD12 ILE B 41 -0.076 1.147 3.053 1.00 2.15 H new ATOM 0 HD13 ILE B 41 -1.465 0.486 2.158 1.00 2.15 H new ATOM 2210 N LEU B 42 1.029 -4.762 1.994 1.00 35.25 N ATOM 2211 CA LEU B 42 1.873 -5.516 1.057 1.00 51.22 C ATOM 2212 C LEU B 42 1.080 -5.877 -0.212 1.00 41.13 C ATOM 2213 O LEU B 42 0.329 -6.847 -0.243 1.00 11.52 O ATOM 2214 CB LEU B 42 2.473 -6.778 1.735 1.00 20.50 C ATOM 2215 CG LEU B 42 3.338 -7.719 0.822 1.00 52.40 C ATOM 2216 CD1 LEU B 42 4.436 -6.951 0.056 1.00 2.22 C ATOM 2217 CD2 LEU B 42 3.925 -8.874 1.651 1.00 70.00 C ATOM 0 H LEU B 42 0.037 -4.988 1.929 1.00 35.25 H new ATOM 0 HA LEU B 42 2.708 -4.882 0.760 1.00 51.22 H new ATOM 0 HB2 LEU B 42 3.090 -6.454 2.573 1.00 20.50 H new ATOM 0 HB3 LEU B 42 1.653 -7.365 2.150 1.00 20.50 H new ATOM 0 HG LEU B 42 2.678 -8.140 0.063 1.00 52.40 H new ATOM 0 HD11 LEU B 42 5.005 -7.647 -0.560 1.00 2.22 H new ATOM 0 HD12 LEU B 42 3.975 -6.196 -0.581 1.00 2.22 H new ATOM 0 HD13 LEU B 42 5.105 -6.466 0.767 1.00 2.22 H new ATOM 0 HD21 LEU B 42 4.522 -9.518 1.006 1.00 70.00 H new ATOM 0 HD22 LEU B 42 4.555 -8.470 2.443 1.00 70.00 H new ATOM 0 HD23 LEU B 42 3.114 -9.454 2.092 1.00 70.00 H new ATOM 2229 N CYS B 43 1.278 -5.083 -1.262 1.00 42.04 N ATOM 2230 CA CYS B 43 0.718 -5.336 -2.586 1.00 75.43 C ATOM 2231 C CYS B 43 1.679 -6.251 -3.336 1.00 70.31 C ATOM 2232 O CYS B 43 2.751 -5.800 -3.767 1.00 53.11 O ATOM 2233 CB CYS B 43 0.537 -4.005 -3.343 1.00 20.20 C ATOM 2234 SG CYS B 43 -0.043 -4.152 -5.047 1.00 54.12 S ATOM 0 H CYS B 43 1.840 -4.233 -1.215 1.00 42.04 H new ATOM 0 HA CYS B 43 -0.259 -5.811 -2.503 1.00 75.43 H new ATOM 0 HB2 CYS B 43 -0.169 -3.386 -2.790 1.00 20.20 H new ATOM 0 HB3 CYS B 43 1.490 -3.477 -3.346 1.00 20.20 H new ATOM 0 HG CYS B 43 -0.424 -5.374 -5.272 1.00 54.12 H new ATOM 2240 N LEU B 44 1.324 -7.550 -3.391 1.00 14.32 N ATOM 2241 CA LEU B 44 2.062 -8.559 -4.156 1.00 33.43 C ATOM 2242 C LEU B 44 1.410 -8.687 -5.549 1.00 45.32 C ATOM 2243 O LEU B 44 0.343 -9.320 -5.677 1.00 70.11 O ATOM 2244 CB LEU B 44 2.058 -9.931 -3.431 1.00 65.24 C ATOM 2245 CG LEU B 44 2.992 -11.033 -4.052 1.00 11.23 C ATOM 2246 CD1 LEU B 44 4.482 -10.673 -3.867 1.00 20.40 C ATOM 2247 CD2 LEU B 44 2.680 -12.427 -3.478 1.00 32.13 C ATOM 0 H LEU B 44 0.512 -7.925 -2.901 1.00 14.32 H new ATOM 0 HA LEU B 44 3.102 -8.247 -4.253 1.00 33.43 H new ATOM 0 HB2 LEU B 44 2.353 -9.774 -2.393 1.00 65.24 H new ATOM 0 HB3 LEU B 44 1.037 -10.312 -3.418 1.00 65.24 H new ATOM 0 HG LEU B 44 2.789 -11.067 -5.122 1.00 11.23 H new ATOM 0 HD11 LEU B 44 5.102 -11.454 -4.307 1.00 20.40 H new ATOM 0 HD12 LEU B 44 4.691 -9.723 -4.360 1.00 20.40 H new ATOM 0 HD13 LEU B 44 4.706 -10.587 -2.804 1.00 20.40 H new ATOM 0 HD21 LEU B 44 3.344 -13.164 -3.930 1.00 32.13 H new ATOM 0 HD22 LEU B 44 2.829 -12.418 -2.398 1.00 32.13 H new ATOM 0 HD23 LEU B 44 1.645 -12.688 -3.699 1.00 32.13 H new ATOM 2259 N PRO B 45 2.009 -8.047 -6.598 1.00 75.33 N ATOM 2260 CA PRO B 45 1.461 -8.086 -7.962 1.00 55.23 C ATOM 2261 C PRO B 45 1.823 -9.387 -8.702 1.00 53.43 C ATOM 2262 O PRO B 45 2.979 -9.840 -8.671 1.00 73.02 O ATOM 2263 CB PRO B 45 2.093 -6.845 -8.623 1.00 41.52 C ATOM 2264 CG PRO B 45 3.413 -6.662 -7.923 1.00 24.24 C ATOM 2265 CD PRO B 45 3.249 -7.222 -6.527 1.00 21.22 C ATOM 0 HA PRO B 45 0.371 -8.072 -7.982 1.00 55.23 H new ATOM 0 HB2 PRO B 45 2.231 -6.995 -9.694 1.00 41.52 H new ATOM 0 HB3 PRO B 45 1.458 -5.967 -8.504 1.00 41.52 H new ATOM 0 HG2 PRO B 45 4.209 -7.181 -8.457 1.00 24.24 H new ATOM 0 HG3 PRO B 45 3.689 -5.608 -7.887 1.00 24.24 H new ATOM 0 HD2 PRO B 45 4.110 -7.824 -6.237 1.00 21.22 H new ATOM 0 HD3 PRO B 45 3.154 -6.426 -5.789 1.00 21.22 H new ATOM 2273 N ILE B 46 0.818 -9.976 -9.353 1.00 52.00 N ATOM 2274 CA ILE B 46 0.976 -11.189 -10.156 1.00 44.54 C ATOM 2275 C ILE B 46 1.303 -10.757 -11.598 1.00 11.52 C ATOM 2276 O ILE B 46 0.571 -9.955 -12.179 1.00 42.04 O ATOM 2277 CB ILE B 46 -0.322 -12.101 -10.133 1.00 35.22 C ATOM 2278 CG1 ILE B 46 -0.711 -12.542 -8.673 1.00 31.24 C ATOM 2279 CG2 ILE B 46 -0.148 -13.342 -11.040 1.00 71.10 C ATOM 2280 CD1 ILE B 46 -1.380 -11.478 -7.830 1.00 45.24 C ATOM 0 H ILE B 46 -0.138 -9.620 -9.337 1.00 52.00 H new ATOM 0 HA ILE B 46 1.781 -11.792 -9.736 1.00 44.54 H new ATOM 0 HB ILE B 46 -1.139 -11.494 -10.524 1.00 35.22 H new ATOM 0 HG12 ILE B 46 -1.377 -13.403 -8.737 1.00 31.24 H new ATOM 0 HG13 ILE B 46 0.191 -12.874 -8.160 1.00 31.24 H new ATOM 0 HG21 ILE B 46 -1.053 -13.948 -11.004 1.00 71.10 H new ATOM 0 HG22 ILE B 46 0.033 -13.021 -12.066 1.00 71.10 H new ATOM 0 HG23 ILE B 46 0.699 -13.933 -10.690 1.00 71.10 H new ATOM 0 HD11 ILE B 46 -1.606 -11.884 -6.844 1.00 45.24 H new ATOM 0 HD12 ILE B 46 -0.712 -10.623 -7.726 1.00 45.24 H new ATOM 0 HD13 ILE B 46 -2.304 -11.160 -8.312 1.00 45.24 H new ATOM 2292 N GLN B 47 2.423 -11.255 -12.150 1.00 44.33 N ATOM 2293 CA GLN B 47 2.823 -10.963 -13.549 1.00 10.15 C ATOM 2294 C GLN B 47 2.105 -11.888 -14.541 1.00 51.34 C ATOM 2295 O GLN B 47 2.037 -11.590 -15.732 1.00 12.11 O ATOM 2296 CB GLN B 47 4.358 -11.084 -13.718 1.00 23.12 C ATOM 2297 CG GLN B 47 4.959 -12.457 -13.341 1.00 75.24 C ATOM 2298 CD GLN B 47 6.490 -12.515 -13.473 1.00 65.54 C ATOM 2299 OE1 GLN B 47 7.192 -11.520 -13.283 1.00 4.22 O ATOM 2300 NE2 GLN B 47 7.017 -13.682 -13.799 1.00 20.22 N ATOM 0 H GLN B 47 3.073 -11.864 -11.652 1.00 44.33 H new ATOM 0 HA GLN B 47 2.527 -9.937 -13.768 1.00 10.15 H new ATOM 0 HB2 GLN B 47 4.611 -10.868 -14.756 1.00 23.12 H new ATOM 0 HB3 GLN B 47 4.835 -10.317 -13.108 1.00 23.12 H new ATOM 0 HG2 GLN B 47 4.682 -12.696 -12.314 1.00 75.24 H new ATOM 0 HG3 GLN B 47 4.518 -13.224 -13.977 1.00 75.24 H new ATOM 0 HE21 GLN B 47 6.413 -14.490 -13.951 1.00 20.22 H new ATOM 0 HE22 GLN B 47 8.028 -13.775 -13.899 1.00 20.22 H new ATOM 2309 N ASP B 48 1.573 -13.009 -14.028 1.00 30.01 N ATOM 2310 CA ASP B 48 0.913 -14.041 -14.846 1.00 62.22 C ATOM 2311 C ASP B 48 -0.392 -13.505 -15.483 1.00 50.40 C ATOM 2312 O ASP B 48 -0.730 -13.860 -16.617 1.00 75.52 O ATOM 2313 CB ASP B 48 0.646 -15.298 -13.975 1.00 72.25 C ATOM 2314 CG ASP B 48 -0.051 -16.442 -14.730 1.00 54.01 C ATOM 2315 OD1 ASP B 48 0.629 -17.168 -15.484 1.00 74.31 O ATOM 2316 OD2 ASP B 48 -1.278 -16.627 -14.562 1.00 45.00 O ATOM 0 H ASP B 48 1.588 -13.226 -13.032 1.00 30.01 H new ATOM 0 HA ASP B 48 1.574 -14.317 -15.668 1.00 62.22 H new ATOM 0 HB2 ASP B 48 1.594 -15.662 -13.579 1.00 72.25 H new ATOM 0 HB3 ASP B 48 0.032 -15.012 -13.121 1.00 72.25 H new ATOM 2321 N SER B 49 -1.109 -12.649 -14.738 1.00 41.43 N ATOM 2322 CA SER B 49 -2.331 -11.963 -15.218 1.00 31.01 C ATOM 2323 C SER B 49 -2.426 -10.566 -14.580 1.00 52.01 C ATOM 2324 O SER B 49 -1.731 -10.290 -13.599 1.00 14.51 O ATOM 2325 CB SER B 49 -3.598 -12.792 -14.880 1.00 21.33 C ATOM 2326 OG SER B 49 -3.530 -14.100 -15.425 1.00 21.14 O ATOM 0 H SER B 49 -0.860 -12.408 -13.779 1.00 41.43 H new ATOM 0 HA SER B 49 -2.270 -11.862 -16.302 1.00 31.01 H new ATOM 0 HB2 SER B 49 -3.714 -12.854 -13.798 1.00 21.33 H new ATOM 0 HB3 SER B 49 -4.480 -12.282 -15.267 1.00 21.33 H new ATOM 0 HG SER B 49 -4.343 -14.594 -15.191 1.00 21.14 H new ATOM 2332 N ASP B 50 -3.303 -9.699 -15.133 1.00 51.50 N ATOM 2333 CA ASP B 50 -3.528 -8.335 -14.605 1.00 3.20 C ATOM 2334 C ASP B 50 -4.356 -8.415 -13.306 1.00 4.13 C ATOM 2335 O ASP B 50 -5.587 -8.296 -13.324 1.00 23.04 O ATOM 2336 CB ASP B 50 -4.236 -7.430 -15.657 1.00 32.40 C ATOM 2337 CG ASP B 50 -3.436 -7.288 -16.959 1.00 21.01 C ATOM 2338 OD1 ASP B 50 -2.604 -6.366 -17.058 1.00 62.14 O ATOM 2339 OD2 ASP B 50 -3.628 -8.106 -17.889 1.00 70.24 O ATOM 0 H ASP B 50 -3.870 -9.922 -15.951 1.00 51.50 H new ATOM 0 HA ASP B 50 -2.561 -7.882 -14.386 1.00 3.20 H new ATOM 0 HB2 ASP B 50 -5.218 -7.845 -15.884 1.00 32.40 H new ATOM 0 HB3 ASP B 50 -4.399 -6.442 -15.227 1.00 32.40 H new ATOM 2344 N LYS B 51 -3.658 -8.695 -12.201 1.00 41.45 N ATOM 2345 CA LYS B 51 -4.248 -8.861 -10.867 1.00 35.45 C ATOM 2346 C LYS B 51 -3.140 -8.728 -9.813 1.00 12.15 C ATOM 2347 O LYS B 51 -1.968 -9.014 -10.090 1.00 51.00 O ATOM 2348 CB LYS B 51 -4.984 -10.233 -10.755 1.00 4.51 C ATOM 2349 CG LYS B 51 -4.096 -11.478 -11.016 1.00 34.21 C ATOM 2350 CD LYS B 51 -4.915 -12.778 -11.202 1.00 11.30 C ATOM 2351 CE LYS B 51 -5.719 -13.189 -9.954 1.00 72.35 C ATOM 2352 NZ LYS B 51 -4.845 -13.603 -8.825 1.00 3.13 N ATOM 0 H LYS B 51 -2.645 -8.815 -12.208 1.00 41.45 H new ATOM 0 HA LYS B 51 -4.994 -8.085 -10.695 1.00 35.45 H new ATOM 0 HB2 LYS B 51 -5.415 -10.316 -9.758 1.00 4.51 H new ATOM 0 HB3 LYS B 51 -5.813 -10.242 -11.463 1.00 4.51 H new ATOM 0 HG2 LYS B 51 -3.491 -11.306 -11.906 1.00 34.21 H new ATOM 0 HG3 LYS B 51 -3.406 -11.606 -10.182 1.00 34.21 H new ATOM 0 HD2 LYS B 51 -5.602 -12.648 -12.039 1.00 11.30 H new ATOM 0 HD3 LYS B 51 -4.237 -13.589 -11.469 1.00 11.30 H new ATOM 0 HE2 LYS B 51 -6.345 -12.354 -9.638 1.00 72.35 H new ATOM 0 HE3 LYS B 51 -6.388 -14.010 -10.211 1.00 72.35 H new ATOM 0 HZ1 LYS B 51 -5.434 -13.870 -8.010 1.00 3.13 H new ATOM 0 HZ2 LYS B 51 -4.266 -14.417 -9.115 1.00 3.13 H new ATOM 0 HZ3 LYS B 51 -4.223 -12.813 -8.559 1.00 3.13 H new ATOM 2366 N SER B 52 -3.522 -8.291 -8.613 1.00 52.03 N ATOM 2367 CA SER B 52 -2.590 -7.994 -7.521 1.00 0.32 C ATOM 2368 C SER B 52 -3.347 -8.064 -6.199 1.00 51.12 C ATOM 2369 O SER B 52 -4.381 -7.415 -6.067 1.00 50.21 O ATOM 2370 CB SER B 52 -1.989 -6.582 -7.714 1.00 62.44 C ATOM 2371 OG SER B 52 -1.068 -6.273 -6.687 1.00 63.10 O ATOM 0 H SER B 52 -4.499 -8.131 -8.367 1.00 52.03 H new ATOM 0 HA SER B 52 -1.777 -8.720 -7.518 1.00 0.32 H new ATOM 0 HB2 SER B 52 -1.491 -6.525 -8.682 1.00 62.44 H new ATOM 0 HB3 SER B 52 -2.789 -5.842 -7.723 1.00 62.44 H new ATOM 0 HG SER B 52 -0.835 -5.322 -6.732 1.00 63.10 H new ATOM 2377 N HIS B 53 -2.849 -8.842 -5.224 1.00 35.42 N ATOM 2378 CA HIS B 53 -3.497 -8.953 -3.902 1.00 55.24 C ATOM 2379 C HIS B 53 -2.718 -8.150 -2.846 1.00 24.24 C ATOM 2380 O HIS B 53 -1.535 -8.412 -2.583 1.00 3.13 O ATOM 2381 CB HIS B 53 -3.707 -10.430 -3.482 1.00 2.30 C ATOM 2382 CG HIS B 53 -2.466 -11.282 -3.477 1.00 45.23 C ATOM 2383 ND1 HIS B 53 -1.988 -11.910 -4.599 1.00 50.43 N ATOM 2384 CD2 HIS B 53 -1.641 -11.643 -2.477 1.00 73.35 C ATOM 2385 CE1 HIS B 53 -0.921 -12.609 -4.290 1.00 64.34 C ATOM 2386 NE2 HIS B 53 -0.689 -12.469 -3.010 1.00 21.53 N ATOM 0 H HIS B 53 -2.003 -9.403 -5.323 1.00 35.42 H new ATOM 0 HA HIS B 53 -4.492 -8.516 -3.978 1.00 55.24 H new ATOM 0 HB2 HIS B 53 -4.143 -10.448 -2.483 1.00 2.30 H new ATOM 0 HB3 HIS B 53 -4.435 -10.882 -4.156 1.00 2.30 H new ATOM 0 HD2 HIS B 53 -1.716 -11.337 -1.444 1.00 73.35 H new ATOM 0 HE1 HIS B 53 -0.333 -13.200 -4.977 1.00 64.34 H new ATOM 0 HE2 HIS B 53 0.076 -12.904 -2.494 1.00 21.53 H new ATOM 2395 N ILE B 54 -3.402 -7.153 -2.272 1.00 74.30 N ATOM 2396 CA ILE B 54 -2.848 -6.232 -1.284 1.00 3.24 C ATOM 2397 C ILE B 54 -3.247 -6.725 0.112 1.00 55.45 C ATOM 2398 O ILE B 54 -4.434 -6.770 0.414 1.00 0.41 O ATOM 2399 CB ILE B 54 -3.381 -4.746 -1.477 1.00 43.13 C ATOM 2400 CG1 ILE B 54 -3.058 -4.156 -2.896 1.00 64.13 C ATOM 2401 CG2 ILE B 54 -2.807 -3.813 -0.384 1.00 1.54 C ATOM 2402 CD1 ILE B 54 -3.848 -4.731 -4.049 1.00 33.43 C ATOM 0 H ILE B 54 -4.380 -6.963 -2.490 1.00 74.30 H new ATOM 0 HA ILE B 54 -1.765 -6.212 -1.409 1.00 3.24 H new ATOM 0 HB ILE B 54 -4.466 -4.799 -1.387 1.00 43.13 H new ATOM 0 HG12 ILE B 54 -3.227 -3.080 -2.867 1.00 64.13 H new ATOM 0 HG13 ILE B 54 -1.997 -4.307 -3.097 1.00 64.13 H new ATOM 0 HG21 ILE B 54 -3.184 -2.801 -0.534 1.00 1.54 H new ATOM 0 HG22 ILE B 54 -3.113 -4.172 0.599 1.00 1.54 H new ATOM 0 HG23 ILE B 54 -1.719 -3.807 -0.445 1.00 1.54 H new ATOM 0 HD11 ILE B 54 -3.541 -4.249 -4.977 1.00 33.43 H new ATOM 0 HD12 ILE B 54 -3.663 -5.803 -4.118 1.00 33.43 H new ATOM 0 HD13 ILE B 54 -4.911 -4.557 -3.884 1.00 33.43 H new ATOM 2414 N TRP B 55 -2.259 -7.065 0.953 1.00 30.35 N ATOM 2415 CA TRP B 55 -2.495 -7.447 2.346 1.00 24.31 C ATOM 2416 C TRP B 55 -2.574 -6.178 3.191 1.00 60.34 C ATOM 2417 O TRP B 55 -1.575 -5.479 3.374 1.00 62.23 O ATOM 2418 CB TRP B 55 -1.359 -8.349 2.894 1.00 24.54 C ATOM 2419 CG TRP B 55 -1.395 -9.774 2.412 1.00 71.54 C ATOM 2420 CD1 TRP B 55 -2.257 -10.739 2.805 1.00 70.24 C ATOM 2421 CD2 TRP B 55 -0.519 -10.392 1.477 1.00 72.00 C ATOM 2422 NE1 TRP B 55 -1.953 -11.927 2.200 1.00 30.10 N ATOM 2423 CE2 TRP B 55 -0.892 -11.739 1.375 1.00 71.02 C ATOM 2424 CE3 TRP B 55 0.544 -9.932 0.731 1.00 13.44 C ATOM 2425 CZ2 TRP B 55 -0.227 -12.629 0.547 1.00 44.31 C ATOM 2426 CZ3 TRP B 55 1.199 -10.806 -0.088 1.00 43.42 C ATOM 2427 CH2 TRP B 55 0.816 -12.144 -0.174 1.00 13.45 C ATOM 0 H TRP B 55 -1.276 -7.082 0.683 1.00 30.35 H new ATOM 0 HA TRP B 55 -3.426 -8.011 2.396 1.00 24.31 H new ATOM 0 HB2 TRP B 55 -0.400 -7.911 2.616 1.00 24.54 H new ATOM 0 HB3 TRP B 55 -1.407 -8.347 3.983 1.00 24.54 H new ATOM 0 HD1 TRP B 55 -3.071 -10.592 3.499 1.00 70.24 H new ATOM 0 HE1 TRP B 55 -2.443 -12.810 2.345 1.00 30.10 H new ATOM 0 HE3 TRP B 55 0.853 -8.899 0.793 1.00 13.44 H new ATOM 0 HZ2 TRP B 55 -0.526 -13.665 0.478 1.00 44.31 H new ATOM 0 HZ3 TRP B 55 2.030 -10.454 -0.681 1.00 43.42 H new ATOM 0 HH2 TRP B 55 1.361 -12.809 -0.828 1.00 13.45 H new ATOM 2438 N LEU B 56 -3.782 -5.862 3.643 1.00 33.22 N ATOM 2439 CA LEU B 56 -4.037 -4.773 4.575 1.00 1.24 C ATOM 2440 C LEU B 56 -4.146 -5.364 5.984 1.00 5.20 C ATOM 2441 O LEU B 56 -5.130 -6.036 6.326 1.00 45.32 O ATOM 2442 CB LEU B 56 -5.317 -4.010 4.143 1.00 41.53 C ATOM 2443 CG LEU B 56 -5.213 -3.317 2.744 1.00 10.35 C ATOM 2444 CD1 LEU B 56 -6.552 -2.720 2.297 1.00 55.45 C ATOM 2445 CD2 LEU B 56 -4.099 -2.246 2.741 1.00 65.12 C ATOM 0 H LEU B 56 -4.625 -6.365 3.367 1.00 33.22 H new ATOM 0 HA LEU B 56 -3.223 -4.048 4.574 1.00 1.24 H new ATOM 0 HB2 LEU B 56 -6.154 -4.708 4.128 1.00 41.53 H new ATOM 0 HB3 LEU B 56 -5.546 -3.254 4.894 1.00 41.53 H new ATOM 0 HG LEU B 56 -4.949 -4.088 2.020 1.00 10.35 H new ATOM 0 HD11 LEU B 56 -6.433 -2.249 1.321 1.00 55.45 H new ATOM 0 HD12 LEU B 56 -7.299 -3.511 2.230 1.00 55.45 H new ATOM 0 HD13 LEU B 56 -6.878 -1.974 3.022 1.00 55.45 H new ATOM 0 HD21 LEU B 56 -4.046 -1.779 1.758 1.00 65.12 H new ATOM 0 HD22 LEU B 56 -4.321 -1.488 3.492 1.00 65.12 H new ATOM 0 HD23 LEU B 56 -3.143 -2.715 2.971 1.00 65.12 H new ATOM 2457 N LEU B 57 -3.084 -5.145 6.771 1.00 12.41 N ATOM 2458 CA LEU B 57 -2.976 -5.621 8.147 1.00 12.41 C ATOM 2459 C LEU B 57 -3.620 -4.570 9.049 1.00 22.43 C ATOM 2460 O LEU B 57 -3.024 -3.533 9.342 1.00 42.31 O ATOM 2461 CB LEU B 57 -1.482 -5.864 8.554 1.00 3.30 C ATOM 2462 CG LEU B 57 -0.710 -7.000 7.791 1.00 2.24 C ATOM 2463 CD1 LEU B 57 -1.500 -8.315 7.793 1.00 64.22 C ATOM 2464 CD2 LEU B 57 -0.315 -6.591 6.357 1.00 12.22 C ATOM 0 H LEU B 57 -2.265 -4.623 6.459 1.00 12.41 H new ATOM 0 HA LEU B 57 -3.486 -6.579 8.250 1.00 12.41 H new ATOM 0 HB2 LEU B 57 -0.937 -4.931 8.414 1.00 3.30 H new ATOM 0 HB3 LEU B 57 -1.454 -6.092 9.619 1.00 3.30 H new ATOM 0 HG LEU B 57 0.218 -7.162 8.339 1.00 2.24 H new ATOM 0 HD11 LEU B 57 -0.937 -9.079 7.257 1.00 64.22 H new ATOM 0 HD12 LEU B 57 -1.664 -8.639 8.821 1.00 64.22 H new ATOM 0 HD13 LEU B 57 -2.462 -8.162 7.303 1.00 64.22 H new ATOM 0 HD21 LEU B 57 0.215 -7.413 5.877 1.00 12.22 H new ATOM 0 HD22 LEU B 57 -1.213 -6.356 5.785 1.00 12.22 H new ATOM 0 HD23 LEU B 57 0.332 -5.714 6.394 1.00 12.22 H new ATOM 2476 N VAL B 58 -4.869 -4.834 9.419 1.00 11.12 N ATOM 2477 CA VAL B 58 -5.701 -3.914 10.209 1.00 74.31 C ATOM 2478 C VAL B 58 -6.535 -4.743 11.185 1.00 23.22 C ATOM 2479 O VAL B 58 -6.815 -5.895 10.900 1.00 51.24 O ATOM 2480 CB VAL B 58 -6.643 -3.058 9.269 1.00 74.33 C ATOM 2481 CG1 VAL B 58 -7.724 -3.930 8.577 1.00 14.24 C ATOM 2482 CG2 VAL B 58 -7.269 -1.852 10.018 1.00 54.40 C ATOM 0 H VAL B 58 -5.345 -5.704 9.178 1.00 11.12 H new ATOM 0 HA VAL B 58 -5.063 -3.219 10.755 1.00 74.31 H new ATOM 0 HB VAL B 58 -6.011 -2.651 8.480 1.00 74.33 H new ATOM 0 HG11 VAL B 58 -8.347 -3.301 7.942 1.00 14.24 H new ATOM 0 HG12 VAL B 58 -7.240 -4.694 7.968 1.00 14.24 H new ATOM 0 HG13 VAL B 58 -8.345 -4.409 9.334 1.00 14.24 H new ATOM 0 HG21 VAL B 58 -7.908 -1.292 9.336 1.00 54.40 H new ATOM 0 HG22 VAL B 58 -7.863 -2.214 10.857 1.00 54.40 H new ATOM 0 HG23 VAL B 58 -6.476 -1.202 10.388 1.00 54.40 H new ATOM 2492 N ASN B 59 -6.908 -4.190 12.341 1.00 55.40 N ATOM 2493 CA ASN B 59 -7.829 -4.892 13.263 1.00 74.32 C ATOM 2494 C ASN B 59 -9.276 -4.836 12.717 1.00 64.20 C ATOM 2495 O ASN B 59 -9.644 -3.888 12.008 1.00 43.13 O ATOM 2496 CB ASN B 59 -7.732 -4.330 14.708 1.00 41.25 C ATOM 2497 CG ASN B 59 -7.991 -2.829 14.854 1.00 24.42 C ATOM 2498 OD1 ASN B 59 -8.721 -2.216 14.085 1.00 62.15 O ATOM 2499 ND2 ASN B 59 -7.395 -2.222 15.863 1.00 11.23 N ATOM 0 H ASN B 59 -6.598 -3.274 12.665 1.00 55.40 H new ATOM 0 HA ASN B 59 -7.529 -5.938 13.318 1.00 74.32 H new ATOM 0 HB2 ASN B 59 -8.444 -4.866 15.335 1.00 41.25 H new ATOM 0 HB3 ASN B 59 -6.737 -4.548 15.097 1.00 41.25 H new ATOM 0 HD21 ASN B 59 -7.538 -1.224 16.014 1.00 11.23 H new ATOM 0 HD22 ASN B 59 -6.791 -2.751 16.492 1.00 11.23 H new ATOM 2506 N ASP B 60 -10.073 -5.870 13.032 1.00 71.41 N ATOM 2507 CA ASP B 60 -11.476 -5.984 12.581 1.00 24.34 C ATOM 2508 C ASP B 60 -12.384 -4.997 13.342 1.00 71.40 C ATOM 2509 O ASP B 60 -12.054 -4.562 14.453 1.00 63.14 O ATOM 2510 CB ASP B 60 -11.960 -7.450 12.751 1.00 53.21 C ATOM 2511 CG ASP B 60 -13.441 -7.687 12.382 1.00 60.20 C ATOM 2512 OD1 ASP B 60 -13.813 -7.472 11.204 1.00 65.12 O ATOM 2513 OD2 ASP B 60 -14.239 -8.063 13.276 1.00 4.24 O ATOM 0 H ASP B 60 -9.765 -6.654 13.608 1.00 71.41 H new ATOM 0 HA ASP B 60 -11.533 -5.720 11.525 1.00 24.34 H new ATOM 0 HB2 ASP B 60 -11.338 -8.098 12.134 1.00 53.21 H new ATOM 0 HB3 ASP B 60 -11.805 -7.752 13.787 1.00 53.21 H new ATOM 2518 N ASP B 61 -13.514 -4.645 12.715 1.00 4.13 N ATOM 2519 CA ASP B 61 -14.516 -3.712 13.250 1.00 61.00 C ATOM 2520 C ASP B 61 -15.919 -4.201 12.829 1.00 31.33 C ATOM 2521 O ASP B 61 -16.037 -5.077 11.964 1.00 11.10 O ATOM 2522 CB ASP B 61 -14.238 -2.281 12.709 1.00 61.12 C ATOM 2523 CG ASP B 61 -14.940 -1.179 13.514 1.00 0.21 C ATOM 2524 OD1 ASP B 61 -14.388 -0.752 14.541 1.00 60.44 O ATOM 2525 OD2 ASP B 61 -16.040 -0.741 13.130 1.00 4.21 O ATOM 0 H ASP B 61 -13.764 -5.011 11.796 1.00 4.13 H new ATOM 0 HA ASP B 61 -14.463 -3.678 14.338 1.00 61.00 H new ATOM 0 HB2 ASP B 61 -13.163 -2.099 12.718 1.00 61.12 H new ATOM 0 HB3 ASP B 61 -14.562 -2.224 11.670 1.00 61.12 H new ATOM 2530 N GLN B 62 -16.975 -3.615 13.405 1.00 55.04 N ATOM 2531 CA GLN B 62 -18.370 -3.910 13.002 1.00 33.14 C ATOM 2532 C GLN B 62 -18.670 -3.299 11.619 1.00 31.24 C ATOM 2533 O GLN B 62 -19.389 -3.884 10.806 1.00 71.43 O ATOM 2534 CB GLN B 62 -19.367 -3.384 14.067 1.00 42.24 C ATOM 2535 CG GLN B 62 -19.226 -4.080 15.435 1.00 1.31 C ATOM 2536 CD GLN B 62 -20.182 -3.563 16.513 1.00 53.33 C ATOM 2537 OE1 GLN B 62 -21.293 -3.119 16.227 1.00 23.23 O ATOM 2538 NE2 GLN B 62 -19.759 -3.624 17.764 1.00 71.10 N ATOM 0 H GLN B 62 -16.897 -2.929 14.156 1.00 55.04 H new ATOM 0 HA GLN B 62 -18.490 -4.991 12.931 1.00 33.14 H new ATOM 0 HB2 GLN B 62 -19.217 -2.312 14.196 1.00 42.24 H new ATOM 0 HB3 GLN B 62 -20.384 -3.522 13.701 1.00 42.24 H new ATOM 0 HG2 GLN B 62 -19.392 -5.149 15.303 1.00 1.31 H new ATOM 0 HG3 GLN B 62 -18.202 -3.957 15.787 1.00 1.31 H new ATOM 0 HE21 GLN B 62 -18.833 -3.997 17.972 1.00 71.10 H new ATOM 0 HE22 GLN B 62 -20.359 -3.298 18.522 1.00 71.10 H new ATOM 2547 N ARG B 63 -18.076 -2.126 11.368 1.00 1.43 N ATOM 2548 CA ARG B 63 -18.203 -1.391 10.100 1.00 64.10 C ATOM 2549 C ARG B 63 -17.252 -1.971 9.037 1.00 53.53 C ATOM 2550 O ARG B 63 -17.490 -1.799 7.847 1.00 32.14 O ATOM 2551 CB ARG B 63 -17.940 0.122 10.319 1.00 32.21 C ATOM 2552 CG ARG B 63 -18.183 1.006 9.067 1.00 35.00 C ATOM 2553 CD ARG B 63 -18.077 2.501 9.379 1.00 50.01 C ATOM 2554 NE ARG B 63 -19.049 2.919 10.413 1.00 72.53 N ATOM 2555 CZ ARG B 63 -18.955 4.024 11.163 1.00 24.45 C ATOM 2556 NH1 ARG B 63 -17.937 4.869 11.010 1.00 72.13 N ATOM 2557 NH2 ARG B 63 -19.882 4.271 12.072 1.00 52.54 N ATOM 0 H ARG B 63 -17.484 -1.652 12.050 1.00 1.43 H new ATOM 0 HA ARG B 63 -19.223 -1.507 9.735 1.00 64.10 H new ATOM 0 HB2 ARG B 63 -18.580 0.476 11.127 1.00 32.21 H new ATOM 0 HB3 ARG B 63 -16.909 0.255 10.647 1.00 32.21 H new ATOM 0 HG2 ARG B 63 -17.458 0.746 8.296 1.00 35.00 H new ATOM 0 HG3 ARG B 63 -19.171 0.792 8.660 1.00 35.00 H new ATOM 0 HD2 ARG B 63 -17.066 2.731 9.717 1.00 50.01 H new ATOM 0 HD3 ARG B 63 -18.247 3.075 8.468 1.00 50.01 H new ATOM 0 HE ARG B 63 -19.857 2.316 10.567 1.00 72.53 H new ATOM 0 HH11 ARG B 63 -17.216 4.678 10.314 1.00 72.13 H new ATOM 0 HH12 ARG B 63 -17.878 5.707 11.589 1.00 72.13 H new ATOM 0 HH21 ARG B 63 -20.659 3.623 12.197 1.00 52.54 H new ATOM 0 HH22 ARG B 63 -19.820 5.110 12.649 1.00 52.54 H new ATOM 2571 N LEU B 64 -16.157 -2.618 9.505 1.00 22.41 N ATOM 2572 CA LEU B 64 -15.105 -3.246 8.653 1.00 52.10 C ATOM 2573 C LEU B 64 -15.721 -4.036 7.472 1.00 2.43 C ATOM 2574 O LEU B 64 -15.309 -3.866 6.333 1.00 72.41 O ATOM 2575 CB LEU B 64 -14.225 -4.204 9.533 1.00 31.55 C ATOM 2576 CG LEU B 64 -12.678 -4.234 9.300 1.00 62.02 C ATOM 2577 CD1 LEU B 64 -12.308 -4.732 7.906 1.00 63.12 C ATOM 2578 CD2 LEU B 64 -12.029 -2.867 9.602 1.00 51.24 C ATOM 0 H LEU B 64 -15.972 -2.723 10.503 1.00 22.41 H new ATOM 0 HA LEU B 64 -14.488 -2.451 8.234 1.00 52.10 H new ATOM 0 HB2 LEU B 64 -14.396 -3.943 10.577 1.00 31.55 H new ATOM 0 HB3 LEU B 64 -14.600 -5.218 9.392 1.00 31.55 H new ATOM 0 HG LEU B 64 -12.272 -4.955 10.009 1.00 62.02 H new ATOM 0 HD11 LEU B 64 -11.224 -4.733 7.796 1.00 63.12 H new ATOM 0 HD12 LEU B 64 -12.688 -5.744 7.769 1.00 63.12 H new ATOM 0 HD13 LEU B 64 -12.748 -4.074 7.156 1.00 63.12 H new ATOM 0 HD21 LEU B 64 -10.955 -2.928 9.429 1.00 51.24 H new ATOM 0 HD22 LEU B 64 -12.459 -2.108 8.949 1.00 51.24 H new ATOM 0 HD23 LEU B 64 -12.214 -2.598 10.642 1.00 51.24 H new ATOM 2590 N GLU B 65 -16.745 -4.851 7.783 1.00 21.20 N ATOM 2591 CA GLU B 65 -17.406 -5.745 6.812 1.00 42.31 C ATOM 2592 C GLU B 65 -18.270 -4.957 5.799 1.00 44.25 C ATOM 2593 O GLU B 65 -18.344 -5.320 4.624 1.00 65.12 O ATOM 2594 CB GLU B 65 -18.268 -6.777 7.567 1.00 4.54 C ATOM 2595 CG GLU B 65 -17.508 -7.535 8.675 1.00 40.51 C ATOM 2596 CD GLU B 65 -18.369 -8.610 9.346 1.00 34.35 C ATOM 2597 OE1 GLU B 65 -18.399 -9.757 8.848 1.00 4.12 O ATOM 2598 OE2 GLU B 65 -19.052 -8.306 10.339 1.00 25.13 O ATOM 0 H GLU B 65 -17.141 -4.909 8.721 1.00 21.20 H new ATOM 0 HA GLU B 65 -16.632 -6.260 6.243 1.00 42.31 H new ATOM 0 HB2 GLU B 65 -19.123 -6.267 8.010 1.00 4.54 H new ATOM 0 HB3 GLU B 65 -18.663 -7.499 6.852 1.00 4.54 H new ATOM 0 HG2 GLU B 65 -16.619 -8.000 8.249 1.00 40.51 H new ATOM 0 HG3 GLU B 65 -17.167 -6.825 9.428 1.00 40.51 H new ATOM 2605 N GLN B 66 -18.918 -3.879 6.284 1.00 70.25 N ATOM 2606 CA GLN B 66 -19.686 -2.927 5.444 1.00 54.22 C ATOM 2607 C GLN B 66 -18.744 -2.237 4.429 1.00 5.10 C ATOM 2608 O GLN B 66 -19.041 -2.141 3.237 1.00 0.52 O ATOM 2609 CB GLN B 66 -20.363 -1.871 6.366 1.00 20.22 C ATOM 2610 CG GLN B 66 -21.084 -0.717 5.641 1.00 22.55 C ATOM 2611 CD GLN B 66 -21.607 0.350 6.603 1.00 4.01 C ATOM 2612 OE1 GLN B 66 -20.913 1.319 6.918 1.00 71.31 O ATOM 2613 NE2 GLN B 66 -22.817 0.168 7.100 1.00 51.13 N ATOM 0 H GLN B 66 -18.926 -3.639 7.275 1.00 70.25 H new ATOM 0 HA GLN B 66 -20.454 -3.463 4.886 1.00 54.22 H new ATOM 0 HB2 GLN B 66 -21.084 -2.382 7.005 1.00 20.22 H new ATOM 0 HB3 GLN B 66 -19.602 -1.446 7.021 1.00 20.22 H new ATOM 0 HG2 GLN B 66 -20.398 -0.255 4.931 1.00 22.55 H new ATOM 0 HG3 GLN B 66 -21.917 -1.120 5.064 1.00 22.55 H new ATOM 0 HE21 GLN B 66 -23.367 -0.644 6.820 1.00 51.13 H new ATOM 0 HE22 GLN B 66 -23.202 0.840 7.764 1.00 51.13 H new ATOM 2622 N MET B 67 -17.586 -1.818 4.951 1.00 32.43 N ATOM 2623 CA MET B 67 -16.513 -1.127 4.215 1.00 32.33 C ATOM 2624 C MET B 67 -15.900 -2.060 3.140 1.00 24.51 C ATOM 2625 O MET B 67 -15.606 -1.631 2.016 1.00 31.14 O ATOM 2626 CB MET B 67 -15.448 -0.699 5.257 1.00 63.02 C ATOM 2627 CG MET B 67 -14.255 0.082 4.717 1.00 14.11 C ATOM 2628 SD MET B 67 -12.966 0.293 5.962 1.00 30.05 S ATOM 2629 CE MET B 67 -12.446 -1.401 6.211 1.00 24.22 C ATOM 0 H MET B 67 -17.358 -1.955 5.936 1.00 32.43 H new ATOM 0 HA MET B 67 -16.902 -0.254 3.690 1.00 32.33 H new ATOM 0 HB2 MET B 67 -15.938 -0.093 6.019 1.00 63.02 H new ATOM 0 HB3 MET B 67 -15.075 -1.595 5.754 1.00 63.02 H new ATOM 0 HG2 MET B 67 -13.842 -0.438 3.853 1.00 14.11 H new ATOM 0 HG3 MET B 67 -14.589 1.060 4.371 1.00 14.11 H new ATOM 0 HE1 MET B 67 -11.502 -1.415 6.755 1.00 24.22 H new ATOM 0 HE2 MET B 67 -13.204 -1.934 6.785 1.00 24.22 H new ATOM 0 HE3 MET B 67 -12.315 -1.887 5.244 1.00 24.22 H new ATOM 2639 N ILE B 68 -15.748 -3.343 3.522 1.00 64.21 N ATOM 2640 CA ILE B 68 -15.254 -4.421 2.648 1.00 45.25 C ATOM 2641 C ILE B 68 -16.230 -4.667 1.483 1.00 44.34 C ATOM 2642 O ILE B 68 -15.804 -4.730 0.327 1.00 21.13 O ATOM 2643 CB ILE B 68 -15.015 -5.753 3.476 1.00 4.32 C ATOM 2644 CG1 ILE B 68 -13.687 -5.659 4.295 1.00 54.32 C ATOM 2645 CG2 ILE B 68 -15.038 -7.025 2.592 1.00 62.12 C ATOM 2646 CD1 ILE B 68 -13.418 -6.845 5.205 1.00 25.55 C ATOM 0 H ILE B 68 -15.970 -3.663 4.465 1.00 64.21 H new ATOM 0 HA ILE B 68 -14.298 -4.108 2.229 1.00 45.25 H new ATOM 0 HB ILE B 68 -15.850 -5.849 4.170 1.00 4.32 H new ATOM 0 HG12 ILE B 68 -12.854 -5.555 3.600 1.00 54.32 H new ATOM 0 HG13 ILE B 68 -13.712 -4.753 4.900 1.00 54.32 H new ATOM 0 HG21 ILE B 68 -14.869 -7.904 3.214 1.00 62.12 H new ATOM 0 HG22 ILE B 68 -16.007 -7.109 2.101 1.00 62.12 H new ATOM 0 HG23 ILE B 68 -14.254 -6.958 1.838 1.00 62.12 H new ATOM 0 HD11 ILE B 68 -12.476 -6.693 5.733 1.00 25.55 H new ATOM 0 HD12 ILE B 68 -14.228 -6.940 5.928 1.00 25.55 H new ATOM 0 HD13 ILE B 68 -13.356 -7.755 4.608 1.00 25.55 H new ATOM 2658 N SER B 69 -17.537 -4.787 1.804 1.00 12.24 N ATOM 2659 CA SER B 69 -18.587 -5.030 0.802 1.00 61.41 C ATOM 2660 C SER B 69 -18.661 -3.861 -0.185 1.00 63.15 C ATOM 2661 O SER B 69 -18.785 -4.082 -1.383 1.00 64.45 O ATOM 2662 CB SER B 69 -19.963 -5.248 1.473 1.00 71.35 C ATOM 2663 OG SER B 69 -20.970 -5.584 0.524 1.00 64.34 O ATOM 0 H SER B 69 -17.888 -4.718 2.759 1.00 12.24 H new ATOM 0 HA SER B 69 -18.328 -5.939 0.259 1.00 61.41 H new ATOM 0 HB2 SER B 69 -19.883 -6.043 2.214 1.00 71.35 H new ATOM 0 HB3 SER B 69 -20.254 -4.343 2.006 1.00 71.35 H new ATOM 0 HG SER B 69 -21.824 -5.715 0.986 1.00 64.34 H new ATOM 2669 N GLN B 70 -18.512 -2.624 0.345 1.00 11.44 N ATOM 2670 CA GLN B 70 -18.616 -1.380 -0.432 1.00 65.32 C ATOM 2671 C GLN B 70 -17.581 -1.397 -1.568 1.00 0.44 C ATOM 2672 O GLN B 70 -17.929 -1.221 -2.737 1.00 32.25 O ATOM 2673 CB GLN B 70 -18.405 -0.149 0.513 1.00 3.41 C ATOM 2674 CG GLN B 70 -18.943 1.217 -0.008 1.00 41.30 C ATOM 2675 CD GLN B 70 -18.183 1.842 -1.196 1.00 55.51 C ATOM 2676 OE1 GLN B 70 -18.777 2.525 -2.034 1.00 52.43 O ATOM 2677 NE2 GLN B 70 -16.867 1.651 -1.270 1.00 53.11 N ATOM 0 H GLN B 70 -18.315 -2.467 1.333 1.00 11.44 H new ATOM 0 HA GLN B 70 -19.608 -1.300 -0.875 1.00 65.32 H new ATOM 0 HB2 GLN B 70 -18.884 -0.364 1.468 1.00 3.41 H new ATOM 0 HB3 GLN B 70 -17.338 -0.045 0.708 1.00 3.41 H new ATOM 0 HG2 GLN B 70 -19.985 1.086 -0.299 1.00 41.30 H new ATOM 0 HG3 GLN B 70 -18.930 1.928 0.818 1.00 41.30 H new ATOM 0 HE21 GLN B 70 -16.394 1.083 -0.567 1.00 53.11 H new ATOM 0 HE22 GLN B 70 -16.332 2.073 -2.029 1.00 53.11 H new ATOM 2686 N ILE B 71 -16.315 -1.657 -1.200 1.00 41.10 N ATOM 2687 CA ILE B 71 -15.201 -1.652 -2.154 1.00 21.51 C ATOM 2688 C ILE B 71 -15.222 -2.911 -3.059 1.00 14.14 C ATOM 2689 O ILE B 71 -14.773 -2.860 -4.202 1.00 11.44 O ATOM 2690 CB ILE B 71 -13.815 -1.497 -1.434 1.00 52.21 C ATOM 2691 CG1 ILE B 71 -12.692 -1.199 -2.479 1.00 2.15 C ATOM 2692 CG2 ILE B 71 -13.474 -2.723 -0.549 1.00 30.20 C ATOM 2693 CD1 ILE B 71 -11.298 -1.154 -1.915 1.00 70.42 C ATOM 0 H ILE B 71 -16.040 -1.874 -0.242 1.00 41.10 H new ATOM 0 HA ILE B 71 -15.335 -0.780 -2.794 1.00 21.51 H new ATOM 0 HB ILE B 71 -13.883 -0.646 -0.756 1.00 52.21 H new ATOM 0 HG12 ILE B 71 -12.729 -1.961 -3.258 1.00 2.15 H new ATOM 0 HG13 ILE B 71 -12.906 -0.243 -2.958 1.00 2.15 H new ATOM 0 HG21 ILE B 71 -12.506 -2.569 -0.072 1.00 30.20 H new ATOM 0 HG22 ILE B 71 -14.241 -2.844 0.216 1.00 30.20 H new ATOM 0 HG23 ILE B 71 -13.435 -3.619 -1.168 1.00 30.20 H new ATOM 0 HD11 ILE B 71 -10.589 -0.941 -2.715 1.00 70.42 H new ATOM 0 HD12 ILE B 71 -11.237 -0.372 -1.158 1.00 70.42 H new ATOM 0 HD13 ILE B 71 -11.057 -2.116 -1.463 1.00 70.42 H new ATOM 2705 N ASP B 72 -15.759 -4.030 -2.534 1.00 14.11 N ATOM 2706 CA ASP B 72 -15.884 -5.297 -3.284 1.00 71.33 C ATOM 2707 C ASP B 72 -16.835 -5.146 -4.495 1.00 73.14 C ATOM 2708 O ASP B 72 -16.639 -5.782 -5.537 1.00 12.24 O ATOM 2709 CB ASP B 72 -16.367 -6.430 -2.336 1.00 20.32 C ATOM 2710 CG ASP B 72 -16.633 -7.771 -3.049 1.00 35.51 C ATOM 2711 OD1 ASP B 72 -15.701 -8.324 -3.674 1.00 54.23 O ATOM 2712 OD2 ASP B 72 -17.774 -8.287 -2.978 1.00 43.12 O ATOM 0 H ASP B 72 -16.118 -4.082 -1.581 1.00 14.11 H new ATOM 0 HA ASP B 72 -14.902 -5.561 -3.675 1.00 71.33 H new ATOM 0 HB2 ASP B 72 -15.618 -6.585 -1.560 1.00 20.32 H new ATOM 0 HB3 ASP B 72 -17.281 -6.108 -1.837 1.00 20.32 H new ATOM 2717 N LYS B 73 -17.846 -4.268 -4.344 1.00 71.33 N ATOM 2718 CA LYS B 73 -18.830 -3.973 -5.410 1.00 4.21 C ATOM 2719 C LYS B 73 -18.187 -3.210 -6.590 1.00 15.11 C ATOM 2720 O LYS B 73 -18.758 -3.169 -7.684 1.00 51.43 O ATOM 2721 CB LYS B 73 -20.019 -3.173 -4.829 1.00 14.14 C ATOM 2722 CG LYS B 73 -20.786 -3.911 -3.711 1.00 73.32 C ATOM 2723 CD LYS B 73 -21.865 -3.045 -3.033 1.00 13.21 C ATOM 2724 CE LYS B 73 -22.955 -2.567 -3.999 1.00 33.43 C ATOM 2725 NZ LYS B 73 -23.991 -1.764 -3.299 1.00 72.52 N ATOM 0 H LYS B 73 -18.005 -3.744 -3.484 1.00 71.33 H new ATOM 0 HA LYS B 73 -19.195 -4.924 -5.799 1.00 4.21 H new ATOM 0 HB2 LYS B 73 -19.649 -2.225 -4.437 1.00 14.14 H new ATOM 0 HB3 LYS B 73 -20.713 -2.936 -5.636 1.00 14.14 H new ATOM 0 HG2 LYS B 73 -21.256 -4.801 -4.130 1.00 73.32 H new ATOM 0 HG3 LYS B 73 -20.076 -4.250 -2.957 1.00 73.32 H new ATOM 0 HD2 LYS B 73 -22.328 -3.617 -2.229 1.00 13.21 H new ATOM 0 HD3 LYS B 73 -21.390 -2.178 -2.575 1.00 13.21 H new ATOM 0 HE2 LYS B 73 -22.504 -1.969 -4.791 1.00 33.43 H new ATOM 0 HE3 LYS B 73 -23.422 -3.428 -4.477 1.00 33.43 H new ATOM 0 HZ1 LYS B 73 -24.713 -1.457 -3.982 1.00 72.52 H new ATOM 0 HZ2 LYS B 73 -24.438 -2.343 -2.560 1.00 72.52 H new ATOM 0 HZ3 LYS B 73 -23.548 -0.929 -2.864 1.00 72.52 H new ATOM 2739 N LEU B 74 -17.004 -2.605 -6.353 1.00 23.31 N ATOM 2740 CA LEU B 74 -16.212 -1.918 -7.396 1.00 73.21 C ATOM 2741 C LEU B 74 -15.663 -2.926 -8.425 1.00 1.44 C ATOM 2742 O LEU B 74 -15.434 -4.099 -8.111 1.00 71.24 O ATOM 2743 CB LEU B 74 -15.032 -1.090 -6.780 1.00 35.52 C ATOM 2744 CG LEU B 74 -15.362 0.339 -6.223 1.00 45.54 C ATOM 2745 CD1 LEU B 74 -15.783 1.303 -7.356 1.00 3.21 C ATOM 2746 CD2 LEU B 74 -16.423 0.284 -5.110 1.00 62.01 C ATOM 0 H LEU B 74 -16.570 -2.579 -5.430 1.00 23.31 H new ATOM 0 HA LEU B 74 -16.885 -1.225 -7.901 1.00 73.21 H new ATOM 0 HB2 LEU B 74 -14.598 -1.675 -5.969 1.00 35.52 H new ATOM 0 HB3 LEU B 74 -14.262 -0.983 -7.544 1.00 35.52 H new ATOM 0 HG LEU B 74 -14.447 0.732 -5.779 1.00 45.54 H new ATOM 0 HD11 LEU B 74 -16.005 2.284 -6.936 1.00 3.21 H new ATOM 0 HD12 LEU B 74 -14.971 1.393 -8.078 1.00 3.21 H new ATOM 0 HD13 LEU B 74 -16.670 0.913 -7.854 1.00 3.21 H new ATOM 0 HD21 LEU B 74 -16.625 1.293 -4.750 1.00 62.01 H new ATOM 0 HD22 LEU B 74 -17.341 -0.151 -5.504 1.00 62.01 H new ATOM 0 HD23 LEU B 74 -16.055 -0.329 -4.287 1.00 62.01 H new ATOM 2758 N GLU B 75 -15.435 -2.422 -9.646 1.00 14.25 N ATOM 2759 CA GLU B 75 -14.834 -3.185 -10.762 1.00 31.11 C ATOM 2760 C GLU B 75 -13.349 -3.503 -10.472 1.00 11.33 C ATOM 2761 O GLU B 75 -12.754 -4.392 -11.092 1.00 64.15 O ATOM 2762 CB GLU B 75 -14.933 -2.353 -12.062 1.00 32.11 C ATOM 2763 CG GLU B 75 -16.333 -1.778 -12.364 1.00 40.45 C ATOM 2764 CD GLU B 75 -16.326 -0.805 -13.551 1.00 70.12 C ATOM 2765 OE1 GLU B 75 -15.578 0.198 -13.491 1.00 24.43 O ATOM 2766 OE2 GLU B 75 -17.032 -1.040 -14.552 1.00 0.04 O ATOM 0 H GLU B 75 -15.664 -1.460 -9.895 1.00 14.25 H new ATOM 0 HA GLU B 75 -15.377 -4.124 -10.874 1.00 31.11 H new ATOM 0 HB2 GLU B 75 -14.223 -1.528 -12.002 1.00 32.11 H new ATOM 0 HB3 GLU B 75 -14.625 -2.978 -12.900 1.00 32.11 H new ATOM 0 HG2 GLU B 75 -17.021 -2.597 -12.574 1.00 40.45 H new ATOM 0 HG3 GLU B 75 -16.710 -1.264 -11.480 1.00 40.45 H new ATOM 2773 N ASP B 76 -12.777 -2.720 -9.545 1.00 34.12 N ATOM 2774 CA ASP B 76 -11.373 -2.784 -9.133 1.00 42.00 C ATOM 2775 C ASP B 76 -11.094 -4.102 -8.399 1.00 41.30 C ATOM 2776 O ASP B 76 -10.230 -4.880 -8.811 1.00 65.31 O ATOM 2777 CB ASP B 76 -11.082 -1.565 -8.215 1.00 11.45 C ATOM 2778 CG ASP B 76 -11.511 -0.230 -8.863 1.00 60.41 C ATOM 2779 OD1 ASP B 76 -10.744 0.345 -9.656 1.00 2.50 O ATOM 2780 OD2 ASP B 76 -12.637 0.235 -8.595 1.00 63.51 O ATOM 0 H ASP B 76 -13.301 -2.001 -9.046 1.00 34.12 H new ATOM 0 HA ASP B 76 -10.720 -2.750 -10.005 1.00 42.00 H new ATOM 0 HB2 ASP B 76 -11.607 -1.692 -7.268 1.00 11.45 H new ATOM 0 HB3 ASP B 76 -10.017 -1.530 -7.987 1.00 11.45 H new ATOM 2785 N VAL B 77 -11.895 -4.369 -7.352 1.00 52.41 N ATOM 2786 CA VAL B 77 -11.776 -5.581 -6.534 1.00 63.41 C ATOM 2787 C VAL B 77 -12.449 -6.753 -7.260 1.00 31.55 C ATOM 2788 O VAL B 77 -13.678 -6.799 -7.376 1.00 52.40 O ATOM 2789 CB VAL B 77 -12.405 -5.381 -5.105 1.00 4.33 C ATOM 2790 CG1 VAL B 77 -12.349 -6.683 -4.265 1.00 71.20 C ATOM 2791 CG2 VAL B 77 -11.708 -4.221 -4.359 1.00 65.53 C ATOM 0 H VAL B 77 -12.644 -3.746 -7.052 1.00 52.41 H new ATOM 0 HA VAL B 77 -10.717 -5.799 -6.392 1.00 63.41 H new ATOM 0 HB VAL B 77 -13.455 -5.125 -5.243 1.00 4.33 H new ATOM 0 HG11 VAL B 77 -12.793 -6.504 -3.286 1.00 71.20 H new ATOM 0 HG12 VAL B 77 -12.904 -7.470 -4.776 1.00 71.20 H new ATOM 0 HG13 VAL B 77 -11.311 -6.992 -4.142 1.00 71.20 H new ATOM 0 HG21 VAL B 77 -12.158 -4.100 -3.374 1.00 65.53 H new ATOM 0 HG22 VAL B 77 -10.647 -4.445 -4.248 1.00 65.53 H new ATOM 0 HG23 VAL B 77 -11.827 -3.299 -4.928 1.00 65.53 H new ATOM 2801 N VAL B 78 -11.615 -7.656 -7.790 1.00 4.10 N ATOM 2802 CA VAL B 78 -12.064 -8.901 -8.434 1.00 15.33 C ATOM 2803 C VAL B 78 -12.578 -9.867 -7.353 1.00 31.33 C ATOM 2804 O VAL B 78 -13.674 -10.433 -7.463 1.00 53.43 O ATOM 2805 CB VAL B 78 -10.895 -9.593 -9.241 1.00 73.42 C ATOM 2806 CG1 VAL B 78 -11.418 -10.778 -10.097 1.00 10.22 C ATOM 2807 CG2 VAL B 78 -10.123 -8.561 -10.100 1.00 71.45 C ATOM 0 H VAL B 78 -10.601 -7.544 -7.785 1.00 4.10 H new ATOM 0 HA VAL B 78 -12.859 -8.655 -9.138 1.00 15.33 H new ATOM 0 HB VAL B 78 -10.192 -10.007 -8.518 1.00 73.42 H new ATOM 0 HG11 VAL B 78 -10.587 -11.230 -10.638 1.00 10.22 H new ATOM 0 HG12 VAL B 78 -11.875 -11.523 -9.446 1.00 10.22 H new ATOM 0 HG13 VAL B 78 -12.159 -10.414 -10.808 1.00 10.22 H new ATOM 0 HG21 VAL B 78 -9.325 -9.065 -10.644 1.00 71.45 H new ATOM 0 HG22 VAL B 78 -10.806 -8.094 -10.809 1.00 71.45 H new ATOM 0 HG23 VAL B 78 -9.694 -7.797 -9.452 1.00 71.45 H new ATOM 2817 N LYS B 79 -11.751 -10.034 -6.301 1.00 43.32 N ATOM 2818 CA LYS B 79 -12.032 -10.913 -5.160 1.00 30.04 C ATOM 2819 C LYS B 79 -11.516 -10.261 -3.883 1.00 3.30 C ATOM 2820 O LYS B 79 -10.379 -9.792 -3.843 1.00 72.43 O ATOM 2821 CB LYS B 79 -11.369 -12.318 -5.331 1.00 42.21 C ATOM 2822 CG LYS B 79 -12.002 -13.199 -6.423 1.00 33.13 C ATOM 2823 CD LYS B 79 -11.360 -14.604 -6.519 1.00 1.43 C ATOM 2824 CE LYS B 79 -12.027 -15.491 -7.588 1.00 52.11 C ATOM 2825 NZ LYS B 79 -13.483 -15.686 -7.332 1.00 61.30 N ATOM 0 H LYS B 79 -10.856 -9.551 -6.224 1.00 43.32 H new ATOM 0 HA LYS B 79 -13.111 -11.058 -5.105 1.00 30.04 H new ATOM 0 HB2 LYS B 79 -10.312 -12.181 -5.561 1.00 42.21 H new ATOM 0 HB3 LYS B 79 -11.422 -12.848 -4.380 1.00 42.21 H new ATOM 0 HG2 LYS B 79 -13.068 -13.306 -6.222 1.00 33.13 H new ATOM 0 HG3 LYS B 79 -11.908 -12.697 -7.386 1.00 33.13 H new ATOM 0 HD2 LYS B 79 -10.300 -14.499 -6.749 1.00 1.43 H new ATOM 0 HD3 LYS B 79 -11.428 -15.097 -5.549 1.00 1.43 H new ATOM 0 HE2 LYS B 79 -11.890 -15.038 -8.570 1.00 52.11 H new ATOM 0 HE3 LYS B 79 -11.531 -16.461 -7.613 1.00 52.11 H new ATOM 0 HZ1 LYS B 79 -13.853 -16.419 -7.971 1.00 61.30 H new ATOM 0 HZ2 LYS B 79 -13.625 -15.983 -6.346 1.00 61.30 H new ATOM 0 HZ3 LYS B 79 -13.988 -14.793 -7.501 1.00 61.30 H new ATOM 2839 N VAL B 80 -12.361 -10.215 -2.854 1.00 24.02 N ATOM 2840 CA VAL B 80 -11.940 -9.817 -1.503 1.00 13.32 C ATOM 2841 C VAL B 80 -11.741 -11.087 -0.663 1.00 51.02 C ATOM 2842 O VAL B 80 -12.644 -11.928 -0.561 1.00 1.12 O ATOM 2843 CB VAL B 80 -12.957 -8.830 -0.808 1.00 63.13 C ATOM 2844 CG1 VAL B 80 -14.389 -9.408 -0.721 1.00 12.14 C ATOM 2845 CG2 VAL B 80 -12.436 -8.401 0.585 1.00 63.11 C ATOM 0 H VAL B 80 -13.351 -10.450 -2.928 1.00 24.02 H new ATOM 0 HA VAL B 80 -11.004 -9.265 -1.583 1.00 13.32 H new ATOM 0 HB VAL B 80 -13.025 -7.945 -1.441 1.00 63.13 H new ATOM 0 HG11 VAL B 80 -15.044 -8.686 -0.234 1.00 12.14 H new ATOM 0 HG12 VAL B 80 -14.760 -9.615 -1.725 1.00 12.14 H new ATOM 0 HG13 VAL B 80 -14.374 -10.332 -0.143 1.00 12.14 H new ATOM 0 HG21 VAL B 80 -13.151 -7.721 1.047 1.00 63.11 H new ATOM 0 HG22 VAL B 80 -12.314 -9.282 1.215 1.00 63.11 H new ATOM 0 HG23 VAL B 80 -11.476 -7.897 0.475 1.00 63.11 H new ATOM 2855 N GLN B 81 -10.547 -11.252 -0.095 1.00 65.44 N ATOM 2856 CA GLN B 81 -10.192 -12.455 0.676 1.00 24.31 C ATOM 2857 C GLN B 81 -9.933 -12.068 2.134 1.00 41.02 C ATOM 2858 O GLN B 81 -8.997 -11.323 2.436 1.00 2.11 O ATOM 2859 CB GLN B 81 -8.975 -13.149 0.031 1.00 63.12 C ATOM 2860 CG GLN B 81 -9.274 -13.791 -1.342 1.00 63.14 C ATOM 2861 CD GLN B 81 -8.018 -14.200 -2.102 1.00 60.51 C ATOM 2862 OE1 GLN B 81 -7.491 -13.431 -2.902 1.00 43.23 O ATOM 2863 NE2 GLN B 81 -7.509 -15.394 -1.838 1.00 53.32 N ATOM 0 H GLN B 81 -9.798 -10.562 -0.153 1.00 65.44 H new ATOM 0 HA GLN B 81 -11.017 -13.168 0.664 1.00 24.31 H new ATOM 0 HB2 GLN B 81 -8.174 -12.419 -0.087 1.00 63.12 H new ATOM 0 HB3 GLN B 81 -8.607 -13.919 0.709 1.00 63.12 H new ATOM 0 HG2 GLN B 81 -9.904 -14.669 -1.196 1.00 63.14 H new ATOM 0 HG3 GLN B 81 -9.844 -13.087 -1.948 1.00 63.14 H new ATOM 0 HE21 GLN B 81 -7.971 -16.009 -1.168 1.00 53.32 H new ATOM 0 HE22 GLN B 81 -6.655 -15.699 -2.305 1.00 53.32 H new ATOM 2872 N ARG B 82 -10.806 -12.568 3.019 1.00 13.41 N ATOM 2873 CA ARG B 82 -10.827 -12.230 4.442 1.00 21.43 C ATOM 2874 C ARG B 82 -10.393 -13.449 5.267 1.00 22.43 C ATOM 2875 O ARG B 82 -11.144 -14.425 5.364 1.00 1.54 O ATOM 2876 CB ARG B 82 -12.263 -11.820 4.858 1.00 13.14 C ATOM 2877 CG ARG B 82 -12.850 -10.598 4.124 1.00 72.22 C ATOM 2878 CD ARG B 82 -14.306 -10.329 4.542 1.00 32.04 C ATOM 2879 NE ARG B 82 -14.457 -10.282 6.013 1.00 53.33 N ATOM 2880 CZ ARG B 82 -15.620 -10.203 6.678 1.00 62.11 C ATOM 2881 NH1 ARG B 82 -16.783 -10.157 6.032 1.00 52.24 N ATOM 2882 NH2 ARG B 82 -15.615 -10.232 8.001 1.00 63.14 N ATOM 0 H ARG B 82 -11.533 -13.234 2.756 1.00 13.41 H new ATOM 0 HA ARG B 82 -10.142 -11.402 4.624 1.00 21.43 H new ATOM 0 HB2 ARG B 82 -12.925 -12.671 4.695 1.00 13.14 H new ATOM 0 HB3 ARG B 82 -12.266 -11.614 5.928 1.00 13.14 H new ATOM 0 HG2 ARG B 82 -12.242 -9.719 4.337 1.00 72.22 H new ATOM 0 HG3 ARG B 82 -12.805 -10.764 3.048 1.00 72.22 H new ATOM 0 HD2 ARG B 82 -14.639 -9.384 4.112 1.00 32.04 H new ATOM 0 HD3 ARG B 82 -14.951 -11.108 4.135 1.00 32.04 H new ATOM 0 HE ARG B 82 -13.603 -10.312 6.570 1.00 53.33 H new ATOM 0 HH11 ARG B 82 -16.801 -10.182 5.012 1.00 52.24 H new ATOM 0 HH12 ARG B 82 -17.656 -10.097 6.557 1.00 52.24 H new ATOM 0 HH21 ARG B 82 -14.733 -10.314 8.506 1.00 63.14 H new ATOM 0 HH22 ARG B 82 -16.494 -10.173 8.516 1.00 63.14 H new ATOM 2896 N ASN B 83 -9.177 -13.403 5.818 1.00 1.34 N ATOM 2897 CA ASN B 83 -8.643 -14.460 6.706 1.00 10.34 C ATOM 2898 C ASN B 83 -8.123 -13.814 7.987 1.00 55.13 C ATOM 2899 O ASN B 83 -7.312 -12.920 7.911 1.00 33.54 O ATOM 2900 CB ASN B 83 -7.489 -15.229 6.000 1.00 22.33 C ATOM 2901 CG ASN B 83 -7.956 -15.985 4.759 1.00 14.45 C ATOM 2902 OD1 ASN B 83 -7.968 -15.442 3.656 1.00 31.24 O ATOM 2903 ND2 ASN B 83 -8.364 -17.235 4.929 1.00 2.33 N ATOM 0 H ASN B 83 -8.527 -12.632 5.665 1.00 1.34 H new ATOM 0 HA ASN B 83 -9.437 -15.168 6.942 1.00 10.34 H new ATOM 0 HB2 ASN B 83 -6.708 -14.524 5.718 1.00 22.33 H new ATOM 0 HB3 ASN B 83 -7.044 -15.933 6.703 1.00 22.33 H new ATOM 0 HD21 ASN B 83 -8.700 -17.775 4.131 1.00 2.33 H new ATOM 0 HD22 ASN B 83 -8.342 -17.657 5.857 1.00 2.33 H new ATOM 2910 N GLN B 84 -8.605 -14.241 9.163 1.00 5.50 N ATOM 2911 CA GLN B 84 -8.069 -13.762 10.457 1.00 35.23 C ATOM 2912 C GLN B 84 -6.922 -14.700 10.901 1.00 21.33 C ATOM 2913 O GLN B 84 -7.149 -15.824 11.359 1.00 50.34 O ATOM 2914 CB GLN B 84 -9.206 -13.628 11.512 1.00 20.25 C ATOM 2915 CG GLN B 84 -10.040 -14.899 11.791 1.00 73.01 C ATOM 2916 CD GLN B 84 -11.199 -14.688 12.778 1.00 63.32 C ATOM 2917 OE1 GLN B 84 -12.230 -15.358 12.694 1.00 62.52 O ATOM 2918 NE2 GLN B 84 -11.051 -13.776 13.732 1.00 54.41 N ATOM 0 H GLN B 84 -9.364 -14.916 9.251 1.00 5.50 H new ATOM 0 HA GLN B 84 -7.653 -12.760 10.350 1.00 35.23 H new ATOM 0 HB2 GLN B 84 -8.763 -13.298 12.451 1.00 20.25 H new ATOM 0 HB3 GLN B 84 -9.884 -12.840 11.185 1.00 20.25 H new ATOM 0 HG2 GLN B 84 -10.443 -15.270 10.849 1.00 73.01 H new ATOM 0 HG3 GLN B 84 -9.381 -15.674 12.182 1.00 73.01 H new ATOM 0 HE21 GLN B 84 -10.191 -13.230 13.787 1.00 54.41 H new ATOM 0 HE22 GLN B 84 -11.797 -13.621 14.410 1.00 54.41 H new ATOM 2927 N SER B 85 -5.682 -14.234 10.704 1.00 42.33 N ATOM 2928 CA SER B 85 -4.463 -15.054 10.857 1.00 74.25 C ATOM 2929 C SER B 85 -3.261 -14.142 11.186 1.00 44.34 C ATOM 2930 O SER B 85 -3.429 -12.934 11.409 1.00 50.32 O ATOM 2931 CB SER B 85 -4.222 -15.879 9.555 1.00 24.12 C ATOM 2932 OG SER B 85 -3.169 -16.826 9.702 1.00 25.33 O ATOM 0 H SER B 85 -5.490 -13.270 10.432 1.00 42.33 H new ATOM 0 HA SER B 85 -4.585 -15.756 11.682 1.00 74.25 H new ATOM 0 HB2 SER B 85 -5.140 -16.399 9.282 1.00 24.12 H new ATOM 0 HB3 SER B 85 -3.985 -15.200 8.736 1.00 24.12 H new ATOM 0 HG SER B 85 -3.054 -17.321 8.864 1.00 25.33 H new ATOM 2938 N ASP B 86 -2.064 -14.743 11.263 1.00 4.15 N ATOM 2939 CA ASP B 86 -0.793 -14.016 11.470 1.00 71.35 C ATOM 2940 C ASP B 86 -0.373 -13.272 10.179 1.00 75.24 C ATOM 2941 O ASP B 86 -0.671 -13.738 9.074 1.00 64.21 O ATOM 2942 CB ASP B 86 0.332 -15.007 11.869 1.00 73.52 C ATOM 2943 CG ASP B 86 -0.039 -15.876 13.072 1.00 14.44 C ATOM 2944 OD1 ASP B 86 0.194 -15.460 14.217 1.00 15.00 O ATOM 2945 OD2 ASP B 86 -0.580 -16.985 12.874 1.00 40.40 O ATOM 0 H ASP B 86 -1.945 -15.753 11.183 1.00 4.15 H new ATOM 0 HA ASP B 86 -0.946 -13.291 12.270 1.00 71.35 H new ATOM 0 HB2 ASP B 86 0.561 -15.650 11.019 1.00 73.52 H new ATOM 0 HB3 ASP B 86 1.239 -14.447 12.098 1.00 73.52 H new ATOM 2950 N PRO B 87 0.346 -12.104 10.287 1.00 4.21 N ATOM 2951 CA PRO B 87 0.952 -11.391 9.117 1.00 4.32 C ATOM 2952 C PRO B 87 2.192 -12.097 8.523 1.00 45.41 C ATOM 2953 O PRO B 87 2.893 -11.521 7.682 1.00 2.42 O ATOM 2954 CB PRO B 87 1.334 -9.995 9.695 1.00 65.10 C ATOM 2955 CG PRO B 87 0.610 -9.917 11.002 1.00 12.23 C ATOM 2956 CD PRO B 87 0.569 -11.330 11.530 1.00 13.34 C ATOM 0 HA PRO B 87 0.253 -11.351 8.282 1.00 4.32 H new ATOM 0 HB2 PRO B 87 2.411 -9.904 9.833 1.00 65.10 H new ATOM 0 HB3 PRO B 87 1.029 -9.191 9.024 1.00 65.10 H new ATOM 0 HG2 PRO B 87 1.126 -9.254 11.697 1.00 12.23 H new ATOM 0 HG3 PRO B 87 -0.396 -9.519 10.869 1.00 12.23 H new ATOM 0 HD2 PRO B 87 1.498 -11.610 12.026 1.00 13.34 H new ATOM 0 HD3 PRO B 87 -0.234 -11.475 12.253 1.00 13.34 H new ATOM 2964 N THR B 88 2.434 -13.353 8.942 1.00 14.23 N ATOM 2965 CA THR B 88 3.546 -14.179 8.449 1.00 74.13 C ATOM 2966 C THR B 88 3.396 -14.542 6.953 1.00 65.54 C ATOM 2967 O THR B 88 4.320 -15.115 6.381 1.00 44.33 O ATOM 2968 CB THR B 88 3.679 -15.475 9.307 1.00 25.45 C ATOM 2969 OG1 THR B 88 2.444 -16.200 9.278 1.00 53.04 O ATOM 2970 CG2 THR B 88 4.037 -15.148 10.764 1.00 12.22 C ATOM 0 H THR B 88 1.857 -13.825 9.638 1.00 14.23 H new ATOM 0 HA THR B 88 4.454 -13.584 8.546 1.00 74.13 H new ATOM 0 HB THR B 88 4.481 -16.079 8.882 1.00 25.45 H new ATOM 0 HG1 THR B 88 2.530 -17.015 9.816 1.00 53.04 H new ATOM 0 HG21 THR B 88 4.122 -16.073 11.334 1.00 12.22 H new ATOM 0 HG22 THR B 88 4.987 -14.614 10.794 1.00 12.22 H new ATOM 0 HG23 THR B 88 3.256 -14.524 11.199 1.00 12.22 H new ATOM 2978 N MET B 89 2.233 -14.184 6.336 1.00 3.12 N ATOM 2979 CA MET B 89 1.999 -14.269 4.868 1.00 43.21 C ATOM 2980 C MET B 89 3.139 -13.586 4.076 1.00 42.42 C ATOM 2981 O MET B 89 3.483 -14.015 2.976 1.00 61.20 O ATOM 2982 CB MET B 89 0.636 -13.612 4.498 1.00 5.03 C ATOM 2983 CG MET B 89 -0.585 -14.255 5.170 1.00 24.34 C ATOM 2984 SD MET B 89 -0.803 -15.994 4.717 1.00 22.43 S ATOM 2985 CE MET B 89 -2.325 -16.407 5.580 1.00 41.54 C ATOM 0 H MET B 89 1.428 -13.826 6.849 1.00 3.12 H new ATOM 0 HA MET B 89 1.977 -15.325 4.597 1.00 43.21 H new ATOM 0 HB2 MET B 89 0.670 -12.557 4.769 1.00 5.03 H new ATOM 0 HB3 MET B 89 0.506 -13.659 3.417 1.00 5.03 H new ATOM 0 HG2 MET B 89 -0.481 -14.177 6.252 1.00 24.34 H new ATOM 0 HG3 MET B 89 -1.481 -13.698 4.895 1.00 24.34 H new ATOM 0 HE1 MET B 89 -2.579 -17.450 5.390 1.00 41.54 H new ATOM 0 HE2 MET B 89 -2.189 -16.256 6.651 1.00 41.54 H new ATOM 0 HE3 MET B 89 -3.131 -15.766 5.223 1.00 41.54 H new ATOM 2995 N PHE B 90 3.699 -12.527 4.691 1.00 24.53 N ATOM 2996 CA PHE B 90 4.893 -11.803 4.222 1.00 12.12 C ATOM 2997 C PHE B 90 6.096 -12.760 4.004 1.00 54.14 C ATOM 2998 O PHE B 90 6.705 -12.773 2.935 1.00 43.34 O ATOM 2999 CB PHE B 90 5.231 -10.710 5.284 1.00 75.15 C ATOM 3000 CG PHE B 90 6.526 -9.939 5.042 1.00 74.41 C ATOM 3001 CD1 PHE B 90 6.577 -8.900 4.115 1.00 53.42 C ATOM 3002 CD2 PHE B 90 7.696 -10.258 5.739 1.00 0.03 C ATOM 3003 CE1 PHE B 90 7.745 -8.205 3.895 1.00 15.43 C ATOM 3004 CE2 PHE B 90 8.859 -9.559 5.516 1.00 64.22 C ATOM 3005 CZ PHE B 90 8.885 -8.538 4.591 1.00 11.43 C ATOM 0 H PHE B 90 3.320 -12.141 5.555 1.00 24.53 H new ATOM 0 HA PHE B 90 4.689 -11.344 3.255 1.00 12.12 H new ATOM 0 HB2 PHE B 90 4.406 -9.998 5.323 1.00 75.15 H new ATOM 0 HB3 PHE B 90 5.289 -11.185 6.263 1.00 75.15 H new ATOM 0 HD1 PHE B 90 5.688 -8.636 3.561 1.00 53.42 H new ATOM 0 HD2 PHE B 90 7.686 -11.062 6.460 1.00 0.03 H new ATOM 0 HE1 PHE B 90 7.767 -7.399 3.177 1.00 15.43 H new ATOM 0 HE2 PHE B 90 9.753 -9.811 6.067 1.00 64.22 H new ATOM 0 HZ PHE B 90 9.803 -7.997 4.412 1.00 11.43 H new ATOM 3015 N ASN B 91 6.409 -13.555 5.042 1.00 61.53 N ATOM 3016 CA ASN B 91 7.531 -14.521 5.026 1.00 71.03 C ATOM 3017 C ASN B 91 7.204 -15.739 4.139 1.00 50.43 C ATOM 3018 O ASN B 91 8.082 -16.259 3.431 1.00 31.43 O ATOM 3019 CB ASN B 91 7.847 -14.979 6.475 1.00 33.53 C ATOM 3020 CG ASN B 91 8.948 -16.046 6.545 1.00 61.42 C ATOM 3021 OD1 ASN B 91 8.673 -17.248 6.553 1.00 44.13 O ATOM 3022 ND2 ASN B 91 10.196 -15.620 6.582 1.00 73.01 N ATOM 0 H ASN B 91 5.891 -13.549 5.921 1.00 61.53 H new ATOM 0 HA ASN B 91 8.406 -14.027 4.604 1.00 71.03 H new ATOM 0 HB2 ASN B 91 8.150 -14.114 7.065 1.00 33.53 H new ATOM 0 HB3 ASN B 91 6.939 -15.373 6.931 1.00 33.53 H new ATOM 0 HD21 ASN B 91 10.963 -16.291 6.618 1.00 73.01 H new ATOM 0 HD22 ASN B 91 10.394 -14.619 6.574 1.00 73.01 H new ATOM 3029 N LYS B 92 5.922 -16.158 4.181 1.00 54.35 N ATOM 3030 CA LYS B 92 5.414 -17.345 3.468 1.00 22.34 C ATOM 3031 C LYS B 92 5.611 -17.221 1.954 1.00 21.32 C ATOM 3032 O LYS B 92 5.986 -18.186 1.299 1.00 23.42 O ATOM 3033 CB LYS B 92 3.916 -17.567 3.805 1.00 70.01 C ATOM 3034 CG LYS B 92 3.652 -18.049 5.254 1.00 41.35 C ATOM 3035 CD LYS B 92 2.150 -18.039 5.630 1.00 23.55 C ATOM 3036 CE LYS B 92 1.267 -18.836 4.650 1.00 14.34 C ATOM 3037 NZ LYS B 92 1.708 -20.250 4.512 1.00 44.02 N ATOM 0 H LYS B 92 5.203 -15.674 4.718 1.00 54.35 H new ATOM 0 HA LYS B 92 5.987 -18.209 3.803 1.00 22.34 H new ATOM 0 HB2 LYS B 92 3.377 -16.634 3.641 1.00 70.01 H new ATOM 0 HB3 LYS B 92 3.504 -18.299 3.110 1.00 70.01 H new ATOM 0 HG2 LYS B 92 4.044 -19.059 5.372 1.00 41.35 H new ATOM 0 HG3 LYS B 92 4.199 -17.412 5.949 1.00 41.35 H new ATOM 0 HD2 LYS B 92 2.031 -18.452 6.632 1.00 23.55 H new ATOM 0 HD3 LYS B 92 1.799 -17.008 5.667 1.00 23.55 H new ATOM 0 HE2 LYS B 92 0.233 -18.813 4.995 1.00 14.34 H new ATOM 0 HE3 LYS B 92 1.288 -18.355 3.672 1.00 14.34 H new ATOM 0 HZ1 LYS B 92 1.064 -20.753 3.869 1.00 44.02 H new ATOM 0 HZ2 LYS B 92 2.673 -20.276 4.125 1.00 44.02 H new ATOM 0 HZ3 LYS B 92 1.696 -20.710 5.445 1.00 44.02 H new ATOM 3051 N ILE B 93 5.360 -16.023 1.413 1.00 65.04 N ATOM 3052 CA ILE B 93 5.555 -15.758 -0.021 1.00 75.14 C ATOM 3053 C ILE B 93 7.035 -15.488 -0.339 1.00 61.43 C ATOM 3054 O ILE B 93 7.480 -15.808 -1.425 1.00 30.22 O ATOM 3055 CB ILE B 93 4.691 -14.545 -0.517 1.00 23.21 C ATOM 3056 CG1 ILE B 93 5.167 -13.220 0.156 1.00 12.14 C ATOM 3057 CG2 ILE B 93 3.191 -14.810 -0.262 1.00 34.43 C ATOM 3058 CD1 ILE B 93 4.453 -11.968 -0.280 1.00 43.31 C ATOM 0 H ILE B 93 5.022 -15.221 1.945 1.00 65.04 H new ATOM 0 HA ILE B 93 5.229 -16.654 -0.548 1.00 75.14 H new ATOM 0 HB ILE B 93 4.827 -14.433 -1.593 1.00 23.21 H new ATOM 0 HG12 ILE B 93 5.054 -13.322 1.235 1.00 12.14 H new ATOM 0 HG13 ILE B 93 6.232 -13.096 -0.043 1.00 12.14 H new ATOM 0 HG21 ILE B 93 2.607 -13.959 -0.612 1.00 34.43 H new ATOM 0 HG22 ILE B 93 2.883 -15.707 -0.800 1.00 34.43 H new ATOM 0 HG23 ILE B 93 3.023 -14.951 0.806 1.00 34.43 H new ATOM 0 HD11 ILE B 93 4.865 -11.110 0.252 1.00 43.31 H new ATOM 0 HD12 ILE B 93 4.586 -11.828 -1.353 1.00 43.31 H new ATOM 0 HD13 ILE B 93 3.390 -12.058 -0.055 1.00 43.31 H new ATOM 3070 N ALA B 94 7.774 -14.891 0.624 1.00 35.30 N ATOM 3071 CA ALA B 94 9.173 -14.459 0.427 1.00 12.04 C ATOM 3072 C ALA B 94 10.084 -15.639 0.052 1.00 13.44 C ATOM 3073 O ALA B 94 10.888 -15.538 -0.867 1.00 61.22 O ATOM 3074 CB ALA B 94 9.685 -13.740 1.683 1.00 24.44 C ATOM 0 H ALA B 94 7.415 -14.696 1.559 1.00 35.30 H new ATOM 0 HA ALA B 94 9.198 -13.760 -0.409 1.00 12.04 H new ATOM 0 HB1 ALA B 94 10.717 -13.426 1.527 1.00 24.44 H new ATOM 0 HB2 ALA B 94 9.065 -12.865 1.880 1.00 24.44 H new ATOM 0 HB3 ALA B 94 9.637 -14.418 2.535 1.00 24.44 H new ATOM 3080 N VAL B 95 9.892 -16.777 0.736 1.00 52.15 N ATOM 3081 CA VAL B 95 10.682 -17.998 0.500 1.00 11.21 C ATOM 3082 C VAL B 95 10.447 -18.564 -0.933 1.00 60.33 C ATOM 3083 O VAL B 95 11.324 -19.221 -1.494 1.00 63.45 O ATOM 3084 CB VAL B 95 10.375 -19.085 1.606 1.00 62.43 C ATOM 3085 CG1 VAL B 95 8.896 -19.539 1.578 1.00 5.42 C ATOM 3086 CG2 VAL B 95 11.341 -20.290 1.510 1.00 42.31 C ATOM 0 H VAL B 95 9.187 -16.878 1.466 1.00 52.15 H new ATOM 0 HA VAL B 95 11.737 -17.732 0.571 1.00 11.21 H new ATOM 0 HB VAL B 95 10.545 -18.609 2.572 1.00 62.43 H new ATOM 0 HG11 VAL B 95 8.730 -20.286 2.354 1.00 5.42 H new ATOM 0 HG12 VAL B 95 8.248 -18.680 1.756 1.00 5.42 H new ATOM 0 HG13 VAL B 95 8.666 -19.971 0.604 1.00 5.42 H new ATOM 0 HG21 VAL B 95 11.097 -21.015 2.287 1.00 42.31 H new ATOM 0 HG22 VAL B 95 11.241 -20.760 0.531 1.00 42.31 H new ATOM 0 HG23 VAL B 95 12.367 -19.946 1.644 1.00 42.31 H new ATOM 3096 N PHE B 96 9.269 -18.276 -1.523 1.00 31.42 N ATOM 3097 CA PHE B 96 8.906 -18.752 -2.880 1.00 43.43 C ATOM 3098 C PHE B 96 9.276 -17.742 -3.990 1.00 21.21 C ATOM 3099 O PHE B 96 9.878 -18.116 -4.999 1.00 3.43 O ATOM 3100 CB PHE B 96 7.392 -19.077 -2.943 1.00 10.04 C ATOM 3101 CG PHE B 96 6.959 -20.188 -1.984 1.00 44.31 C ATOM 3102 CD1 PHE B 96 7.665 -21.394 -1.928 1.00 35.24 C ATOM 3103 CD2 PHE B 96 5.853 -20.035 -1.150 1.00 61.41 C ATOM 3104 CE1 PHE B 96 7.282 -22.401 -1.064 1.00 73.03 C ATOM 3105 CE2 PHE B 96 5.471 -21.044 -0.287 1.00 73.24 C ATOM 3106 CZ PHE B 96 6.185 -22.225 -0.244 1.00 44.23 C ATOM 0 H PHE B 96 8.545 -17.711 -1.079 1.00 31.42 H new ATOM 0 HA PHE B 96 9.488 -19.655 -3.064 1.00 43.43 H new ATOM 0 HB2 PHE B 96 6.826 -18.173 -2.717 1.00 10.04 H new ATOM 0 HB3 PHE B 96 7.134 -19.368 -3.961 1.00 10.04 H new ATOM 0 HD1 PHE B 96 8.522 -21.540 -2.569 1.00 35.24 H new ATOM 0 HD2 PHE B 96 5.287 -19.116 -1.179 1.00 61.41 H new ATOM 0 HE1 PHE B 96 7.840 -23.325 -1.030 1.00 73.03 H new ATOM 0 HE2 PHE B 96 4.613 -20.909 0.355 1.00 73.24 H new ATOM 0 HZ PHE B 96 5.885 -23.012 0.432 1.00 44.23 H new