USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 906 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 MET CE :methyl -106:sc= -1.81 (180deg=-4.36!) USER MOD Set 1.2: A 119 TYR OH : rot 61:sc= 2.64 USER MOD Set 2.1: A 90 THR OG1 : rot 117:sc= -2.62! USER MOD Set 2.2: A 92 THR OG1 : rot 18:sc= 0.213 USER MOD Set 2.3: A 96 GLN : amide:sc= -7.2! C(o=-9.6!,f=-8.7!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl 170:sc= -1.19 (180deg=-1.44) USER MOD Single : A 19 HIS : no HE2:sc= -1.52! C(o=-1.5!,f=-1.7!) USER MOD Single : A 20 GLN : amide:sc= -0.639 K(o=-0.64,f=0) USER MOD Single : A 26 ASN : amide:sc= -0.47 X(o=-0.47,f=-0.48) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0411 USER MOD Single : A 29 MET CE :methyl -153:sc= -4.32! (180deg=-5.57!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -32:sc= -3.81! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 139:sc= -3.39! (180deg=-4.94!) USER MOD Single : A 46 GLN : amide:sc=-0.00989 K(o=-0.0099,f=-1.2) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.978 X(o=-0.98,f=-0.58) USER MOD Single : A 83 MET CE :methyl -175:sc= -0.628 (180deg=-0.641) USER MOD Single : A 85 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.083) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -154:sc= -0.823 (180deg=-2.57!) USER MOD Single : A 99 HIS : no HD1:sc= -0.0725 X(o=-0.072,f=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.799 USER MOD Single : A 105 LYS NZ :NH3+ -144:sc= -1.09 (180deg=-3.14!) USER MOD Single : A 109 CYS SG : rot 97:sc= 0.352 USER MOD Single : A 110 GLN : amide:sc= -0.0284 K(o=-0.028,f=-1.5!) USER MOD Single : A 113 CYS SG : rot 78:sc= -0.666 USER MOD Single : A 116 GLN : amide:sc= -0.0233 X(o=-0.023,f=0) USER MOD Single : A 117 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.6) USER MOD Single : A 124 ASN : amide:sc= -5.86! C(o=-5.9!,f=-3.6!) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 102 N ILE A 11 15.842 -10.287 0.617 1.00 0.00 N ATOM 103 CA ILE A 11 15.631 -9.061 -0.142 1.00 0.00 C ATOM 104 C ILE A 11 16.039 -9.240 -1.600 1.00 0.00 C ATOM 105 O ILE A 11 15.269 -8.939 -2.511 1.00 0.00 O ATOM 106 CB ILE A 11 16.422 -7.884 0.460 1.00 0.00 C ATOM 107 CG1 ILE A 11 15.816 -7.466 1.801 1.00 0.00 C ATOM 108 CG2 ILE A 11 16.442 -6.710 -0.508 1.00 0.00 C ATOM 109 CD1 ILE A 11 16.484 -6.256 2.416 1.00 0.00 C ATOM 0 HA ILE A 11 14.566 -8.837 -0.090 1.00 0.00 H new ATOM 0 HB ILE A 11 17.449 -8.206 0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 11 14.756 -7.254 1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 11 15.884 -8.302 2.497 1.00 0.00 H new ATOM 0 HG21 ILE A 11 17.004 -5.886 -0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 11 16.915 -7.016 -1.441 1.00 0.00 H new ATOM 0 HG23 ILE A 11 15.421 -6.386 -0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 11 16.003 -6.017 3.364 1.00 0.00 H new ATOM 0 HD12 ILE A 11 17.539 -6.471 2.588 1.00 0.00 H new ATOM 0 HD13 ILE A 11 16.393 -5.407 1.739 1.00 0.00 H new ATOM 121 N GLU A 12 17.255 -9.735 -1.813 1.00 0.00 N ATOM 122 CA GLU A 12 17.764 -9.955 -3.161 1.00 0.00 C ATOM 123 C GLU A 12 16.719 -10.649 -4.031 1.00 0.00 C ATOM 124 O GLU A 12 16.533 -10.297 -5.195 1.00 0.00 O ATOM 125 CB GLU A 12 19.044 -10.793 -3.116 1.00 0.00 C ATOM 126 CG GLU A 12 20.264 -10.014 -2.655 1.00 0.00 C ATOM 127 CD GLU A 12 21.549 -10.807 -2.798 1.00 0.00 C ATOM 128 OE1 GLU A 12 21.677 -11.559 -3.786 1.00 0.00 O ATOM 129 OE2 GLU A 12 22.428 -10.673 -1.920 1.00 0.00 O ATOM 0 H GLU A 12 17.905 -9.991 -1.070 1.00 0.00 H new ATOM 0 HA GLU A 12 17.989 -8.983 -3.600 1.00 0.00 H new ATOM 0 HB2 GLU A 12 18.890 -11.640 -2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 12 19.237 -11.200 -4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 12 20.343 -9.093 -3.233 1.00 0.00 H new ATOM 0 HG3 GLU A 12 20.134 -9.725 -1.612 1.00 0.00 H new ATOM 136 N GLN A 13 16.042 -11.638 -3.456 1.00 0.00 N ATOM 137 CA GLN A 13 15.017 -12.382 -4.178 1.00 0.00 C ATOM 138 C GLN A 13 13.799 -11.506 -4.452 1.00 0.00 C ATOM 139 O GLN A 13 13.061 -11.732 -5.412 1.00 0.00 O ATOM 140 CB GLN A 13 14.601 -13.621 -3.383 1.00 0.00 C ATOM 141 CG GLN A 13 15.645 -14.725 -3.387 1.00 0.00 C ATOM 142 CD GLN A 13 15.095 -16.051 -2.898 1.00 0.00 C ATOM 143 OE1 GLN A 13 14.890 -16.247 -1.699 1.00 0.00 O ATOM 144 NE2 GLN A 13 14.852 -16.970 -3.825 1.00 0.00 N ATOM 0 H GLN A 13 16.185 -11.942 -2.493 1.00 0.00 H new ATOM 0 HA GLN A 13 15.437 -12.696 -5.133 1.00 0.00 H new ATOM 0 HB2 GLN A 13 14.396 -13.330 -2.353 1.00 0.00 H new ATOM 0 HB3 GLN A 13 13.670 -14.011 -3.795 1.00 0.00 H new ATOM 0 HG2 GLN A 13 16.034 -14.848 -4.398 1.00 0.00 H new ATOM 0 HG3 GLN A 13 16.483 -14.429 -2.756 1.00 0.00 H new ATOM 0 HE21 GLN A 13 15.037 -16.765 -4.807 1.00 0.00 H new ATOM 0 HE22 GLN A 13 14.481 -17.881 -3.555 1.00 0.00 H new ATOM 153 N LEU A 14 13.593 -10.506 -3.602 1.00 0.00 N ATOM 154 CA LEU A 14 12.463 -9.595 -3.752 1.00 0.00 C ATOM 155 C LEU A 14 12.739 -8.559 -4.837 1.00 0.00 C ATOM 156 O LEU A 14 11.898 -8.314 -5.704 1.00 0.00 O ATOM 157 CB LEU A 14 12.169 -8.893 -2.425 1.00 0.00 C ATOM 158 CG LEU A 14 11.182 -7.727 -2.486 1.00 0.00 C ATOM 159 CD1 LEU A 14 9.785 -8.228 -2.818 1.00 0.00 C ATOM 160 CD2 LEU A 14 11.178 -6.962 -1.171 1.00 0.00 C ATOM 0 H LEU A 14 14.193 -10.305 -2.802 1.00 0.00 H new ATOM 0 HA LEU A 14 11.593 -10.181 -4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.783 -9.633 -1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 14 13.110 -8.525 -2.015 1.00 0.00 H new ATOM 0 HG LEU A 14 11.500 -7.048 -3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.096 -7.385 -2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.799 -8.731 -3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.458 -8.929 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.470 -6.136 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.885 -7.631 -0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.176 -6.570 -0.975 1.00 0.00 H new ATOM 172 N LEU A 15 13.922 -7.957 -4.786 1.00 0.00 N ATOM 173 CA LEU A 15 14.310 -6.949 -5.767 1.00 0.00 C ATOM 174 C LEU A 15 14.060 -7.446 -7.187 1.00 0.00 C ATOM 175 O LEU A 15 13.388 -6.784 -7.976 1.00 0.00 O ATOM 176 CB LEU A 15 15.785 -6.583 -5.595 1.00 0.00 C ATOM 177 CG LEU A 15 16.233 -6.252 -4.171 1.00 0.00 C ATOM 178 CD1 LEU A 15 17.732 -5.996 -4.128 1.00 0.00 C ATOM 179 CD2 LEU A 15 15.469 -5.048 -3.638 1.00 0.00 C ATOM 0 H LEU A 15 14.629 -8.149 -4.076 1.00 0.00 H new ATOM 0 HA LEU A 15 13.700 -6.061 -5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.390 -7.413 -5.961 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.002 -5.725 -6.231 1.00 0.00 H new ATOM 0 HG LEU A 15 16.013 -7.108 -3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 15 18.032 -5.762 -3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 15 18.263 -6.885 -4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 15 17.977 -5.157 -4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 15 15.801 -4.827 -2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 15 15.657 -4.186 -4.278 1.00 0.00 H new ATOM 0 HD23 LEU A 15 14.402 -5.269 -3.631 1.00 0.00 H new ATOM 191 N GLU A 16 14.604 -8.617 -7.503 1.00 0.00 N ATOM 192 CA GLU A 16 14.438 -9.203 -8.828 1.00 0.00 C ATOM 193 C GLU A 16 12.991 -9.084 -9.298 1.00 0.00 C ATOM 194 O GLU A 16 12.724 -8.651 -10.419 1.00 0.00 O ATOM 195 CB GLU A 16 14.863 -10.673 -8.817 1.00 0.00 C ATOM 196 CG GLU A 16 16.296 -10.889 -8.359 1.00 0.00 C ATOM 197 CD GLU A 16 17.298 -10.731 -9.485 1.00 0.00 C ATOM 198 OE1 GLU A 16 16.967 -11.101 -10.631 1.00 0.00 O ATOM 199 OE2 GLU A 16 18.415 -10.237 -9.221 1.00 0.00 O ATOM 0 H GLU A 16 15.163 -9.178 -6.860 1.00 0.00 H new ATOM 0 HA GLU A 16 15.074 -8.654 -9.522 1.00 0.00 H new ATOM 0 HB2 GLU A 16 14.193 -11.231 -8.163 1.00 0.00 H new ATOM 0 HB3 GLU A 16 14.745 -11.084 -9.820 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.531 -10.179 -7.566 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.390 -11.887 -7.931 1.00 0.00 H new ATOM 206 N PHE A 17 12.060 -9.472 -8.433 1.00 0.00 N ATOM 207 CA PHE A 17 10.640 -9.411 -8.759 1.00 0.00 C ATOM 208 C PHE A 17 10.212 -7.978 -9.059 1.00 0.00 C ATOM 209 O PHE A 17 9.715 -7.682 -10.145 1.00 0.00 O ATOM 210 CB PHE A 17 9.806 -9.974 -7.606 1.00 0.00 C ATOM 211 CG PHE A 17 8.443 -9.353 -7.493 1.00 0.00 C ATOM 212 CD1 PHE A 17 7.523 -9.479 -8.521 1.00 0.00 C ATOM 213 CD2 PHE A 17 8.083 -8.642 -6.360 1.00 0.00 C ATOM 214 CE1 PHE A 17 6.267 -8.909 -8.420 1.00 0.00 C ATOM 215 CE2 PHE A 17 6.829 -8.070 -6.253 1.00 0.00 C ATOM 216 CZ PHE A 17 5.921 -8.202 -7.285 1.00 0.00 C ATOM 0 H PHE A 17 12.263 -9.832 -7.501 1.00 0.00 H new ATOM 0 HA PHE A 17 10.471 -10.016 -9.650 1.00 0.00 H new ATOM 0 HB2 PHE A 17 9.696 -11.050 -7.739 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.344 -9.822 -6.671 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.790 -10.029 -9.412 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.790 -8.533 -5.551 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.558 -9.017 -9.227 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.560 -7.520 -5.363 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.942 -7.753 -7.205 1.00 0.00 H new ATOM 226 N MET A 18 10.409 -7.092 -8.087 1.00 0.00 N ATOM 227 CA MET A 18 10.044 -5.689 -8.247 1.00 0.00 C ATOM 228 C MET A 18 10.435 -5.180 -9.631 1.00 0.00 C ATOM 229 O MET A 18 9.639 -4.535 -10.314 1.00 0.00 O ATOM 230 CB MET A 18 10.718 -4.839 -7.169 1.00 0.00 C ATOM 231 CG MET A 18 10.020 -4.903 -5.820 1.00 0.00 C ATOM 232 SD MET A 18 11.144 -4.604 -4.442 1.00 0.00 S ATOM 233 CE MET A 18 10.979 -2.831 -4.250 1.00 0.00 C ATOM 0 H MET A 18 10.819 -7.321 -7.181 1.00 0.00 H new ATOM 0 HA MET A 18 8.962 -5.606 -8.141 1.00 0.00 H new ATOM 0 HB2 MET A 18 11.750 -5.168 -7.051 1.00 0.00 H new ATOM 0 HB3 MET A 18 10.751 -3.802 -7.503 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.217 -4.166 -5.795 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.557 -5.883 -5.701 1.00 0.00 H new ATOM 0 HE1 MET A 18 11.471 -2.517 -3.330 1.00 0.00 H new ATOM 0 HE2 MET A 18 11.442 -2.328 -5.099 1.00 0.00 H new ATOM 0 HE3 MET A 18 9.923 -2.567 -4.204 1.00 0.00 H new ATOM 243 N HIS A 19 11.665 -5.474 -10.039 1.00 0.00 N ATOM 244 CA HIS A 19 12.161 -5.046 -11.342 1.00 0.00 C ATOM 245 C HIS A 19 11.129 -5.317 -12.432 1.00 0.00 C ATOM 246 O HIS A 19 10.911 -4.486 -13.313 1.00 0.00 O ATOM 247 CB HIS A 19 13.471 -5.763 -11.674 1.00 0.00 C ATOM 248 CG HIS A 19 14.317 -5.033 -12.672 1.00 0.00 C ATOM 249 ND1 HIS A 19 13.790 -4.346 -13.745 1.00 0.00 N ATOM 250 CD2 HIS A 19 15.660 -4.885 -12.754 1.00 0.00 C ATOM 251 CE1 HIS A 19 14.773 -3.808 -14.445 1.00 0.00 C ATOM 252 NE2 HIS A 19 15.918 -4.120 -13.864 1.00 0.00 N ATOM 0 H HIS A 19 12.337 -6.007 -9.486 1.00 0.00 H new ATOM 0 HA HIS A 19 12.344 -3.972 -11.298 1.00 0.00 H new ATOM 0 HB2 HIS A 19 14.043 -5.900 -10.756 1.00 0.00 H new ATOM 0 HB3 HIS A 19 13.244 -6.757 -12.060 1.00 0.00 H new ATOM 0 HD1 HIS A 19 12.797 -4.266 -13.964 1.00 0.00 H new ATOM 0 HD2 HIS A 19 16.392 -5.293 -12.073 1.00 0.00 H new ATOM 0 HE1 HIS A 19 14.660 -3.214 -15.340 1.00 0.00 H new ATOM 261 N GLN A 20 10.499 -6.485 -12.366 1.00 0.00 N ATOM 262 CA GLN A 20 9.491 -6.866 -13.349 1.00 0.00 C ATOM 263 C GLN A 20 8.355 -5.848 -13.386 1.00 0.00 C ATOM 264 O GLN A 20 7.899 -5.450 -14.459 1.00 0.00 O ATOM 265 CB GLN A 20 8.936 -8.255 -13.030 1.00 0.00 C ATOM 266 CG GLN A 20 9.987 -9.353 -13.066 1.00 0.00 C ATOM 267 CD GLN A 20 9.379 -10.742 -13.079 1.00 0.00 C ATOM 268 OE1 GLN A 20 8.845 -11.189 -14.094 1.00 0.00 O ATOM 269 NE2 GLN A 20 9.459 -11.434 -11.948 1.00 0.00 N ATOM 0 H GLN A 20 10.668 -7.184 -11.643 1.00 0.00 H new ATOM 0 HA GLN A 20 9.967 -6.889 -14.329 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.477 -8.235 -12.042 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.147 -8.495 -13.743 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.611 -9.225 -13.951 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.640 -9.254 -12.199 1.00 0.00 H new ATOM 0 HE21 GLN A 20 9.911 -11.024 -11.130 1.00 0.00 H new ATOM 0 HE22 GLN A 20 9.069 -12.375 -11.897 1.00 0.00 H new ATOM 278 N LEU A 21 7.903 -5.431 -12.209 1.00 0.00 N ATOM 279 CA LEU A 21 6.820 -4.459 -12.106 1.00 0.00 C ATOM 280 C LEU A 21 7.280 -3.080 -12.570 1.00 0.00 C ATOM 281 O LEU A 21 8.391 -2.638 -12.277 1.00 0.00 O ATOM 282 CB LEU A 21 6.312 -4.382 -10.665 1.00 0.00 C ATOM 283 CG LEU A 21 6.036 -5.720 -9.979 1.00 0.00 C ATOM 284 CD1 LEU A 21 5.234 -5.510 -8.704 1.00 0.00 C ATOM 285 CD2 LEU A 21 5.304 -6.663 -10.923 1.00 0.00 C ATOM 0 H LEU A 21 8.269 -5.751 -11.312 1.00 0.00 H new ATOM 0 HA LEU A 21 6.007 -4.788 -12.754 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.045 -3.836 -10.071 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.394 -3.795 -10.655 1.00 0.00 H new ATOM 0 HG LEU A 21 6.991 -6.174 -9.713 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.047 -6.473 -8.229 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.796 -4.872 -8.022 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.284 -5.034 -8.946 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.116 -7.610 -10.418 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.355 -6.216 -11.221 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.916 -6.839 -11.808 1.00 0.00 H new ATOM 297 N PRO A 22 6.405 -2.382 -13.309 1.00 0.00 N ATOM 298 CA PRO A 22 6.698 -1.042 -13.826 1.00 0.00 C ATOM 299 C PRO A 22 6.751 0.007 -12.720 1.00 0.00 C ATOM 300 O PRO A 22 7.565 0.929 -12.765 1.00 0.00 O ATOM 301 CB PRO A 22 5.527 -0.763 -14.771 1.00 0.00 C ATOM 302 CG PRO A 22 4.415 -1.611 -14.258 1.00 0.00 C ATOM 303 CD PRO A 22 5.062 -2.846 -13.696 1.00 0.00 C ATOM 0 HA PRO A 22 7.674 -0.996 -14.309 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.255 0.293 -14.764 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.779 -1.020 -15.800 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.845 -1.086 -13.492 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.717 -1.865 -15.056 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.510 -3.235 -12.841 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.111 -3.646 -14.435 1.00 0.00 H new ATOM 311 N ALA A 23 5.879 -0.140 -11.729 1.00 0.00 N ATOM 312 CA ALA A 23 5.829 0.794 -10.610 1.00 0.00 C ATOM 313 C ALA A 23 7.157 0.826 -9.862 1.00 0.00 C ATOM 314 O ALA A 23 7.598 1.881 -9.405 1.00 0.00 O ATOM 315 CB ALA A 23 4.697 0.424 -9.664 1.00 0.00 C ATOM 0 H ALA A 23 5.197 -0.897 -11.677 1.00 0.00 H new ATOM 0 HA ALA A 23 5.643 1.791 -11.009 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.672 1.130 -8.834 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.749 0.460 -10.200 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.859 -0.583 -9.280 1.00 0.00 H new ATOM 321 N PHE A 24 7.791 -0.336 -9.741 1.00 0.00 N ATOM 322 CA PHE A 24 9.069 -0.441 -9.046 1.00 0.00 C ATOM 323 C PHE A 24 10.231 -0.203 -10.006 1.00 0.00 C ATOM 324 O PHE A 24 11.216 0.447 -9.656 1.00 0.00 O ATOM 325 CB PHE A 24 9.206 -1.817 -8.392 1.00 0.00 C ATOM 326 CG PHE A 24 8.329 -1.998 -7.186 1.00 0.00 C ATOM 327 CD1 PHE A 24 8.297 -1.040 -6.186 1.00 0.00 C ATOM 328 CD2 PHE A 24 7.536 -3.127 -7.053 1.00 0.00 C ATOM 329 CE1 PHE A 24 7.492 -1.205 -5.075 1.00 0.00 C ATOM 330 CE2 PHE A 24 6.729 -3.297 -5.945 1.00 0.00 C ATOM 331 CZ PHE A 24 6.706 -2.334 -4.955 1.00 0.00 C ATOM 0 H PHE A 24 7.441 -1.218 -10.115 1.00 0.00 H new ATOM 0 HA PHE A 24 9.098 0.326 -8.272 1.00 0.00 H new ATOM 0 HB2 PHE A 24 8.963 -2.585 -9.126 1.00 0.00 H new ATOM 0 HB3 PHE A 24 10.245 -1.971 -8.102 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.908 -0.154 -6.276 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.549 -3.883 -7.825 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.478 -0.452 -4.301 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.117 -4.182 -5.853 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.074 -2.464 -4.089 1.00 0.00 H new ATOM 341 N ALA A 25 10.107 -0.734 -11.218 1.00 0.00 N ATOM 342 CA ALA A 25 11.145 -0.579 -12.229 1.00 0.00 C ATOM 343 C ALA A 25 11.594 0.875 -12.337 1.00 0.00 C ATOM 344 O ALA A 25 12.789 1.164 -12.364 1.00 0.00 O ATOM 345 CB ALA A 25 10.649 -1.081 -13.577 1.00 0.00 C ATOM 0 H ALA A 25 9.298 -1.275 -11.523 1.00 0.00 H new ATOM 0 HA ALA A 25 12.005 -1.176 -11.925 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.435 -0.959 -14.322 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.385 -2.135 -13.498 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.772 -0.509 -13.878 1.00 0.00 H new ATOM 351 N ASN A 26 10.628 1.785 -12.397 1.00 0.00 N ATOM 352 CA ASN A 26 10.924 3.209 -12.503 1.00 0.00 C ATOM 353 C ASN A 26 12.065 3.598 -11.568 1.00 0.00 C ATOM 354 O ASN A 26 12.983 4.319 -11.959 1.00 0.00 O ATOM 355 CB ASN A 26 9.679 4.036 -12.178 1.00 0.00 C ATOM 356 CG ASN A 26 8.529 3.746 -13.123 1.00 0.00 C ATOM 357 OD1 ASN A 26 8.727 3.583 -14.327 1.00 0.00 O ATOM 358 ND2 ASN A 26 7.319 3.682 -12.581 1.00 0.00 N ATOM 0 H ASN A 26 9.633 1.562 -12.374 1.00 0.00 H new ATOM 0 HA ASN A 26 11.231 3.415 -13.528 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.366 3.829 -11.155 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.927 5.096 -12.227 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.507 3.491 -13.168 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.201 3.824 -11.578 1.00 0.00 H new ATOM 365 N MET A 27 12.001 3.114 -10.332 1.00 0.00 N ATOM 366 CA MET A 27 13.030 3.410 -9.342 1.00 0.00 C ATOM 367 C MET A 27 14.290 2.591 -9.606 1.00 0.00 C ATOM 368 O MET A 27 14.251 1.582 -10.311 1.00 0.00 O ATOM 369 CB MET A 27 12.508 3.126 -7.932 1.00 0.00 C ATOM 370 CG MET A 27 11.097 3.636 -7.692 1.00 0.00 C ATOM 371 SD MET A 27 10.206 2.663 -6.463 1.00 0.00 S ATOM 372 CE MET A 27 8.657 3.558 -6.380 1.00 0.00 C ATOM 0 H MET A 27 11.248 2.516 -9.992 1.00 0.00 H new ATOM 0 HA MET A 27 13.283 4.467 -9.422 1.00 0.00 H new ATOM 0 HB2 MET A 27 12.532 2.051 -7.754 1.00 0.00 H new ATOM 0 HB3 MET A 27 13.179 3.584 -7.206 1.00 0.00 H new ATOM 0 HG2 MET A 27 11.141 4.675 -7.365 1.00 0.00 H new ATOM 0 HG3 MET A 27 10.545 3.621 -8.632 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.615 4.127 -5.451 1.00 0.00 H new ATOM 0 HE2 MET A 27 8.585 4.240 -7.227 1.00 0.00 H new ATOM 0 HE3 MET A 27 7.827 2.852 -6.411 1.00 0.00 H new ATOM 382 N THR A 28 15.407 3.031 -9.035 1.00 0.00 N ATOM 383 CA THR A 28 16.678 2.340 -9.209 1.00 0.00 C ATOM 384 C THR A 28 16.832 1.209 -8.199 1.00 0.00 C ATOM 385 O THR A 28 16.153 1.184 -7.173 1.00 0.00 O ATOM 386 CB THR A 28 17.868 3.307 -9.066 1.00 0.00 C ATOM 387 OG1 THR A 28 19.086 2.640 -9.413 1.00 0.00 O ATOM 388 CG2 THR A 28 17.963 3.840 -7.644 1.00 0.00 C ATOM 0 H THR A 28 15.457 3.863 -8.448 1.00 0.00 H new ATOM 0 HA THR A 28 16.676 1.925 -10.217 1.00 0.00 H new ATOM 0 HB THR A 28 17.709 4.147 -9.743 1.00 0.00 H new ATOM 0 HG1 THR A 28 19.837 3.262 -9.321 1.00 0.00 H new ATOM 0 HG21 THR A 28 18.811 4.521 -7.567 1.00 0.00 H new ATOM 0 HG22 THR A 28 17.046 4.373 -7.393 1.00 0.00 H new ATOM 0 HG23 THR A 28 18.101 3.009 -6.952 1.00 0.00 H new ATOM 396 N MET A 29 17.729 0.274 -8.496 1.00 0.00 N ATOM 397 CA MET A 29 17.973 -0.859 -7.611 1.00 0.00 C ATOM 398 C MET A 29 17.949 -0.423 -6.150 1.00 0.00 C ATOM 399 O MET A 29 17.220 -0.989 -5.335 1.00 0.00 O ATOM 400 CB MET A 29 19.318 -1.509 -7.939 1.00 0.00 C ATOM 401 CG MET A 29 19.595 -2.771 -7.138 1.00 0.00 C ATOM 402 SD MET A 29 20.444 -2.434 -5.583 1.00 0.00 S ATOM 403 CE MET A 29 19.390 -3.303 -4.426 1.00 0.00 C ATOM 0 H MET A 29 18.298 0.279 -9.342 1.00 0.00 H new ATOM 0 HA MET A 29 17.178 -1.588 -7.767 1.00 0.00 H new ATOM 0 HB2 MET A 29 19.346 -1.750 -9.002 1.00 0.00 H new ATOM 0 HB3 MET A 29 20.115 -0.789 -7.754 1.00 0.00 H new ATOM 0 HG2 MET A 29 18.653 -3.279 -6.931 1.00 0.00 H new ATOM 0 HG3 MET A 29 20.199 -3.452 -7.737 1.00 0.00 H new ATOM 0 HE1 MET A 29 19.462 -2.834 -3.445 1.00 0.00 H new ATOM 0 HE2 MET A 29 18.357 -3.262 -4.773 1.00 0.00 H new ATOM 0 HE3 MET A 29 19.708 -4.343 -4.355 1.00 0.00 H new ATOM 413 N SER A 30 18.751 0.586 -5.825 1.00 0.00 N ATOM 414 CA SER A 30 18.824 1.096 -4.460 1.00 0.00 C ATOM 415 C SER A 30 17.428 1.318 -3.887 1.00 0.00 C ATOM 416 O SER A 30 16.988 0.593 -2.995 1.00 0.00 O ATOM 417 CB SER A 30 19.617 2.403 -4.423 1.00 0.00 C ATOM 418 OG SER A 30 20.907 2.234 -4.985 1.00 0.00 O ATOM 0 H SER A 30 19.359 1.067 -6.488 1.00 0.00 H new ATOM 0 HA SER A 30 19.334 0.352 -3.848 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.077 3.175 -4.971 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.708 2.747 -3.393 1.00 0.00 H new ATOM 0 HG SER A 30 21.393 3.084 -4.951 1.00 0.00 H new ATOM 424 N VAL A 31 16.735 2.326 -4.408 1.00 0.00 N ATOM 425 CA VAL A 31 15.388 2.645 -3.950 1.00 0.00 C ATOM 426 C VAL A 31 14.610 1.379 -3.607 1.00 0.00 C ATOM 427 O VAL A 31 14.087 1.241 -2.501 1.00 0.00 O ATOM 428 CB VAL A 31 14.608 3.441 -5.013 1.00 0.00 C ATOM 429 CG1 VAL A 31 13.166 3.648 -4.574 1.00 0.00 C ATOM 430 CG2 VAL A 31 15.288 4.775 -5.284 1.00 0.00 C ATOM 0 H VAL A 31 17.084 2.936 -5.147 1.00 0.00 H new ATOM 0 HA VAL A 31 15.495 3.257 -3.054 1.00 0.00 H new ATOM 0 HB VAL A 31 14.602 2.867 -5.940 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.631 4.212 -5.338 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.685 2.680 -4.435 1.00 0.00 H new ATOM 0 HG13 VAL A 31 13.147 4.201 -3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.724 5.325 -6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.327 5.357 -4.363 1.00 0.00 H new ATOM 0 HG23 VAL A 31 16.301 4.600 -5.646 1.00 0.00 H new ATOM 440 N ARG A 32 14.539 0.458 -4.562 1.00 0.00 N ATOM 441 CA ARG A 32 13.825 -0.797 -4.362 1.00 0.00 C ATOM 442 C ARG A 32 14.172 -1.410 -3.009 1.00 0.00 C ATOM 443 O ARG A 32 13.287 -1.791 -2.243 1.00 0.00 O ATOM 444 CB ARG A 32 14.159 -1.783 -5.482 1.00 0.00 C ATOM 445 CG ARG A 32 13.822 -1.265 -6.871 1.00 0.00 C ATOM 446 CD ARG A 32 14.336 -2.200 -7.954 1.00 0.00 C ATOM 447 NE ARG A 32 14.261 -1.594 -9.281 1.00 0.00 N ATOM 448 CZ ARG A 32 14.900 -2.071 -10.344 1.00 0.00 C ATOM 449 NH1 ARG A 32 15.658 -3.153 -10.236 1.00 0.00 N ATOM 450 NH2 ARG A 32 14.781 -1.464 -11.518 1.00 0.00 N ATOM 0 H ARG A 32 14.967 0.557 -5.482 1.00 0.00 H new ATOM 0 HA ARG A 32 12.756 -0.585 -4.382 1.00 0.00 H new ATOM 0 HB2 ARG A 32 15.222 -2.021 -5.440 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.617 -2.713 -5.309 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.742 -1.154 -6.967 1.00 0.00 H new ATOM 0 HG3 ARG A 32 14.257 -0.275 -7.007 1.00 0.00 H new ATOM 0 HD2 ARG A 32 15.369 -2.472 -7.738 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.754 -3.122 -7.943 1.00 0.00 H new ATOM 0 HE ARG A 32 13.687 -0.759 -9.398 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.752 -3.622 -9.335 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.147 -3.517 -11.054 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.199 -0.631 -11.605 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.272 -1.830 -12.334 1.00 0.00 H new ATOM 464 N ARG A 33 15.467 -1.503 -2.722 1.00 0.00 N ATOM 465 CA ARG A 33 15.931 -2.072 -1.462 1.00 0.00 C ATOM 466 C ARG A 33 15.431 -1.251 -0.278 1.00 0.00 C ATOM 467 O ARG A 33 14.810 -1.784 0.641 1.00 0.00 O ATOM 468 CB ARG A 33 17.460 -2.138 -1.441 1.00 0.00 C ATOM 469 CG ARG A 33 18.017 -2.975 -0.302 1.00 0.00 C ATOM 470 CD ARG A 33 19.381 -2.471 0.144 1.00 0.00 C ATOM 471 NE ARG A 33 20.198 -3.537 0.718 1.00 0.00 N ATOM 472 CZ ARG A 33 21.273 -3.318 1.466 1.00 0.00 C ATOM 473 NH1 ARG A 33 21.659 -2.077 1.730 1.00 0.00 N ATOM 474 NH2 ARG A 33 21.964 -4.340 1.952 1.00 0.00 N ATOM 0 H ARG A 33 16.213 -1.192 -3.345 1.00 0.00 H new ATOM 0 HA ARG A 33 15.529 -3.081 -1.378 1.00 0.00 H new ATOM 0 HB2 ARG A 33 17.811 -2.549 -2.388 1.00 0.00 H new ATOM 0 HB3 ARG A 33 17.858 -1.126 -1.366 1.00 0.00 H new ATOM 0 HG2 ARG A 33 17.326 -2.951 0.540 1.00 0.00 H new ATOM 0 HG3 ARG A 33 18.098 -4.015 -0.619 1.00 0.00 H new ATOM 0 HD2 ARG A 33 19.902 -2.034 -0.708 1.00 0.00 H new ATOM 0 HD3 ARG A 33 19.251 -1.678 0.880 1.00 0.00 H new ATOM 0 HE ARG A 33 19.928 -4.503 0.534 1.00 0.00 H new ATOM 0 HH11 ARG A 33 21.130 -1.288 1.358 1.00 0.00 H new ATOM 0 HH12 ARG A 33 22.485 -1.911 2.305 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.670 -5.296 1.751 1.00 0.00 H new ATOM 0 HH22 ARG A 33 22.790 -4.170 2.526 1.00 0.00 H new ATOM 488 N GLU A 34 15.706 0.050 -0.307 1.00 0.00 N ATOM 489 CA GLU A 34 15.285 0.943 0.766 1.00 0.00 C ATOM 490 C GLU A 34 13.794 0.784 1.053 1.00 0.00 C ATOM 491 O GLU A 34 13.360 0.862 2.203 1.00 0.00 O ATOM 492 CB GLU A 34 15.592 2.397 0.399 1.00 0.00 C ATOM 493 CG GLU A 34 17.065 2.754 0.509 1.00 0.00 C ATOM 494 CD GLU A 34 17.951 1.828 -0.301 1.00 0.00 C ATOM 495 OE1 GLU A 34 18.055 0.638 0.061 1.00 0.00 O ATOM 496 OE2 GLU A 34 18.541 2.295 -1.298 1.00 0.00 O ATOM 0 H GLU A 34 16.218 0.508 -1.061 1.00 0.00 H new ATOM 0 HA GLU A 34 15.841 0.677 1.665 1.00 0.00 H new ATOM 0 HB2 GLU A 34 15.257 2.584 -0.621 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.017 3.056 1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.213 3.780 0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.367 2.716 1.556 1.00 0.00 H new ATOM 503 N LEU A 35 13.016 0.560 0.000 1.00 0.00 N ATOM 504 CA LEU A 35 11.574 0.390 0.137 1.00 0.00 C ATOM 505 C LEU A 35 11.248 -0.833 0.988 1.00 0.00 C ATOM 506 O LEU A 35 10.451 -0.756 1.924 1.00 0.00 O ATOM 507 CB LEU A 35 10.923 0.254 -1.241 1.00 0.00 C ATOM 508 CG LEU A 35 10.792 1.544 -2.051 1.00 0.00 C ATOM 509 CD1 LEU A 35 10.651 1.231 -3.533 1.00 0.00 C ATOM 510 CD2 LEU A 35 9.606 2.362 -1.562 1.00 0.00 C ATOM 0 H LEU A 35 13.360 0.492 -0.958 1.00 0.00 H new ATOM 0 HA LEU A 35 11.175 1.274 0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.502 -0.461 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.928 -0.172 -1.110 1.00 0.00 H new ATOM 0 HG LEU A 35 11.698 2.134 -1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.559 2.161 -4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.531 0.686 -3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.762 0.621 -3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.528 3.277 -2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.691 1.780 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.748 2.617 -0.512 1.00 0.00 H new ATOM 522 N CYS A 36 11.871 -1.959 0.660 1.00 0.00 N ATOM 523 CA CYS A 36 11.649 -3.199 1.395 1.00 0.00 C ATOM 524 C CYS A 36 12.026 -3.034 2.864 1.00 0.00 C ATOM 525 O CYS A 36 11.711 -3.886 3.695 1.00 0.00 O ATOM 526 CB CYS A 36 12.458 -4.338 0.773 1.00 0.00 C ATOM 527 SG CYS A 36 12.124 -5.961 1.495 1.00 0.00 S ATOM 0 H CYS A 36 12.534 -2.039 -0.111 1.00 0.00 H new ATOM 0 HA CYS A 36 10.588 -3.443 1.335 1.00 0.00 H new ATOM 0 HB2 CYS A 36 12.247 -4.377 -0.296 1.00 0.00 H new ATOM 0 HB3 CYS A 36 13.520 -4.116 0.881 1.00 0.00 H new ATOM 0 HG CYS A 36 11.822 -5.823 2.752 1.00 0.00 H new ATOM 533 N SER A 37 12.704 -1.935 3.176 1.00 0.00 N ATOM 534 CA SER A 37 13.130 -1.661 4.544 1.00 0.00 C ATOM 535 C SER A 37 12.154 -0.715 5.237 1.00 0.00 C ATOM 536 O SER A 37 12.229 -0.505 6.448 1.00 0.00 O ATOM 537 CB SER A 37 14.535 -1.057 4.552 1.00 0.00 C ATOM 538 OG SER A 37 15.218 -1.371 5.754 1.00 0.00 O ATOM 0 H SER A 37 12.971 -1.219 2.500 1.00 0.00 H new ATOM 0 HA SER A 37 13.145 -2.604 5.090 1.00 0.00 H new ATOM 0 HB2 SER A 37 15.101 -1.433 3.700 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.470 0.025 4.439 1.00 0.00 H new ATOM 0 HG SER A 37 16.114 -0.975 5.734 1.00 0.00 H new ATOM 544 N VAL A 38 11.237 -0.147 4.460 1.00 0.00 N ATOM 545 CA VAL A 38 10.245 0.776 4.998 1.00 0.00 C ATOM 546 C VAL A 38 8.846 0.429 4.502 1.00 0.00 C ATOM 547 O VAL A 38 7.947 1.270 4.511 1.00 0.00 O ATOM 548 CB VAL A 38 10.567 2.233 4.615 1.00 0.00 C ATOM 549 CG1 VAL A 38 11.955 2.619 5.103 1.00 0.00 C ATOM 550 CG2 VAL A 38 10.449 2.426 3.111 1.00 0.00 C ATOM 0 H VAL A 38 11.161 -0.310 3.456 1.00 0.00 H new ATOM 0 HA VAL A 38 10.278 0.678 6.083 1.00 0.00 H new ATOM 0 HB VAL A 38 9.843 2.887 5.100 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.165 3.651 4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.000 2.521 6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.696 1.962 4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.680 3.461 2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.150 1.763 2.603 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.433 2.193 2.793 1.00 0.00 H new ATOM 560 N MET A 39 8.669 -0.815 4.069 1.00 0.00 N ATOM 561 CA MET A 39 7.378 -1.274 3.570 1.00 0.00 C ATOM 562 C MET A 39 6.792 -2.347 4.483 1.00 0.00 C ATOM 563 O MET A 39 7.522 -3.021 5.211 1.00 0.00 O ATOM 564 CB MET A 39 7.521 -1.820 2.149 1.00 0.00 C ATOM 565 CG MET A 39 7.822 -3.309 2.097 1.00 0.00 C ATOM 566 SD MET A 39 7.795 -3.966 0.418 1.00 0.00 S ATOM 567 CE MET A 39 8.652 -2.666 -0.467 1.00 0.00 C ATOM 0 H MET A 39 9.403 -1.523 4.054 1.00 0.00 H new ATOM 0 HA MET A 39 6.698 -0.422 3.557 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.600 -1.624 1.599 1.00 0.00 H new ATOM 0 HB3 MET A 39 8.318 -1.279 1.639 1.00 0.00 H new ATOM 0 HG2 MET A 39 8.801 -3.493 2.539 1.00 0.00 H new ATOM 0 HG3 MET A 39 7.092 -3.845 2.704 1.00 0.00 H new ATOM 0 HE1 MET A 39 9.331 -3.109 -1.196 1.00 0.00 H new ATOM 0 HE2 MET A 39 7.926 -2.037 -0.982 1.00 0.00 H new ATOM 0 HE3 MET A 39 9.222 -2.060 0.238 1.00 0.00 H new ATOM 577 N ILE A 40 5.473 -2.498 4.440 1.00 0.00 N ATOM 578 CA ILE A 40 4.791 -3.490 5.263 1.00 0.00 C ATOM 579 C ILE A 40 4.327 -4.676 4.424 1.00 0.00 C ATOM 580 O ILE A 40 3.939 -4.516 3.266 1.00 0.00 O ATOM 581 CB ILE A 40 3.576 -2.881 5.987 1.00 0.00 C ATOM 582 CG1 ILE A 40 3.991 -1.628 6.762 1.00 0.00 C ATOM 583 CG2 ILE A 40 2.949 -3.905 6.921 1.00 0.00 C ATOM 584 CD1 ILE A 40 2.827 -0.745 7.150 1.00 0.00 C ATOM 0 H ILE A 40 4.855 -1.947 3.845 1.00 0.00 H new ATOM 0 HA ILE A 40 5.512 -3.833 6.005 1.00 0.00 H new ATOM 0 HB ILE A 40 2.834 -2.595 5.242 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.525 -1.928 7.663 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.689 -1.050 6.156 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.091 -3.460 7.426 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.622 -4.771 6.345 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.684 -4.219 7.663 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.195 0.124 7.696 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.306 -0.415 6.252 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.139 -1.306 7.783 1.00 0.00 H new ATOM 596 N PHE A 41 4.369 -5.865 5.015 1.00 0.00 N ATOM 597 CA PHE A 41 3.952 -7.078 4.323 1.00 0.00 C ATOM 598 C PHE A 41 2.559 -7.509 4.772 1.00 0.00 C ATOM 599 O PHE A 41 2.389 -8.061 5.859 1.00 0.00 O ATOM 600 CB PHE A 41 4.954 -8.206 4.578 1.00 0.00 C ATOM 601 CG PHE A 41 6.247 -8.040 3.831 1.00 0.00 C ATOM 602 CD1 PHE A 41 6.262 -8.003 2.446 1.00 0.00 C ATOM 603 CD2 PHE A 41 7.446 -7.921 4.514 1.00 0.00 C ATOM 604 CE1 PHE A 41 7.450 -7.850 1.755 1.00 0.00 C ATOM 605 CE2 PHE A 41 8.637 -7.767 3.829 1.00 0.00 C ATOM 606 CZ PHE A 41 8.639 -7.733 2.448 1.00 0.00 C ATOM 0 H PHE A 41 4.688 -6.014 5.972 1.00 0.00 H new ATOM 0 HA PHE A 41 3.920 -6.864 3.255 1.00 0.00 H new ATOM 0 HB2 PHE A 41 5.165 -8.259 5.646 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.500 -9.156 4.295 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.335 -8.095 1.900 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.451 -7.949 5.594 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.448 -7.822 0.675 1.00 0.00 H new ATOM 0 HE2 PHE A 41 9.565 -7.673 4.373 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.569 -7.615 1.911 1.00 0.00 H new ATOM 616 N GLU A 42 1.565 -7.253 3.927 1.00 0.00 N ATOM 617 CA GLU A 42 0.187 -7.613 4.237 1.00 0.00 C ATOM 618 C GLU A 42 -0.435 -8.418 3.100 1.00 0.00 C ATOM 619 O GLU A 42 0.007 -8.337 1.954 1.00 0.00 O ATOM 620 CB GLU A 42 -0.645 -6.356 4.501 1.00 0.00 C ATOM 621 CG GLU A 42 -0.642 -5.918 5.956 1.00 0.00 C ATOM 622 CD GLU A 42 -1.718 -4.893 6.259 1.00 0.00 C ATOM 623 OE1 GLU A 42 -1.478 -3.692 6.015 1.00 0.00 O ATOM 624 OE2 GLU A 42 -2.799 -5.292 6.740 1.00 0.00 O ATOM 0 H GLU A 42 1.689 -6.798 3.023 1.00 0.00 H new ATOM 0 HA GLU A 42 0.194 -8.231 5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.263 -5.542 3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.673 -6.538 4.187 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.786 -6.790 6.594 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.333 -5.499 6.203 1.00 0.00 H new ATOM 631 N VAL A 43 -1.462 -9.196 3.426 1.00 0.00 N ATOM 632 CA VAL A 43 -2.146 -10.016 2.433 1.00 0.00 C ATOM 633 C VAL A 43 -3.595 -10.267 2.831 1.00 0.00 C ATOM 634 O VAL A 43 -3.872 -10.780 3.915 1.00 0.00 O ATOM 635 CB VAL A 43 -1.436 -11.369 2.238 1.00 0.00 C ATOM 636 CG1 VAL A 43 -1.093 -11.991 3.583 1.00 0.00 C ATOM 637 CG2 VAL A 43 -2.300 -12.309 1.412 1.00 0.00 C ATOM 0 H VAL A 43 -1.839 -9.276 4.370 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.122 -9.463 1.494 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.506 -11.197 1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.592 -12.946 3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.433 -11.322 4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.008 -12.151 4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.783 -13.260 1.284 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.247 -12.477 1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.490 -11.865 0.435 1.00 0.00 H new ATOM 647 N VAL A 44 -4.518 -9.903 1.947 1.00 0.00 N ATOM 648 CA VAL A 44 -5.941 -10.090 2.205 1.00 0.00 C ATOM 649 C VAL A 44 -6.355 -11.539 1.974 1.00 0.00 C ATOM 650 O VAL A 44 -6.025 -12.133 0.948 1.00 0.00 O ATOM 651 CB VAL A 44 -6.799 -9.174 1.312 1.00 0.00 C ATOM 652 CG1 VAL A 44 -8.274 -9.516 1.457 1.00 0.00 C ATOM 653 CG2 VAL A 44 -6.546 -7.713 1.651 1.00 0.00 C ATOM 0 H VAL A 44 -4.306 -9.477 1.045 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.110 -9.828 3.249 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.514 -9.337 0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.864 -8.859 0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.438 -10.552 1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.578 -9.383 2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.160 -7.079 1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.803 -7.532 2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.494 -7.479 1.491 1.00 0.00 H new ATOM 663 N GLU A 45 -7.080 -12.102 2.935 1.00 0.00 N ATOM 664 CA GLU A 45 -7.539 -13.483 2.836 1.00 0.00 C ATOM 665 C GLU A 45 -8.963 -13.545 2.289 1.00 0.00 C ATOM 666 O GLU A 45 -9.296 -14.428 1.500 1.00 0.00 O ATOM 667 CB GLU A 45 -7.478 -14.164 4.205 1.00 0.00 C ATOM 668 CG GLU A 45 -6.128 -14.788 4.514 1.00 0.00 C ATOM 669 CD GLU A 45 -6.229 -15.946 5.488 1.00 0.00 C ATOM 670 OE1 GLU A 45 -7.161 -16.764 5.340 1.00 0.00 O ATOM 671 OE2 GLU A 45 -5.378 -16.034 6.397 1.00 0.00 O ATOM 0 H GLU A 45 -7.362 -11.624 3.791 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.879 -14.009 2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.716 -13.432 4.977 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.245 -14.937 4.252 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.673 -15.137 3.587 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.466 -14.027 4.928 1.00 0.00 H new ATOM 678 N GLN A 46 -9.796 -12.601 2.714 1.00 0.00 N ATOM 679 CA GLN A 46 -11.183 -12.549 2.268 1.00 0.00 C ATOM 680 C GLN A 46 -11.327 -11.651 1.043 1.00 0.00 C ATOM 681 O GLN A 46 -11.170 -10.434 1.132 1.00 0.00 O ATOM 682 CB GLN A 46 -12.085 -12.043 3.395 1.00 0.00 C ATOM 683 CG GLN A 46 -12.370 -13.089 4.461 1.00 0.00 C ATOM 684 CD GLN A 46 -13.078 -12.511 5.670 1.00 0.00 C ATOM 685 OE1 GLN A 46 -13.018 -11.308 5.923 1.00 0.00 O ATOM 686 NE2 GLN A 46 -13.756 -13.368 6.425 1.00 0.00 N ATOM 0 H GLN A 46 -9.535 -11.862 3.367 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.488 -13.559 1.994 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.617 -11.177 3.863 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.029 -11.703 2.969 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.981 -13.883 4.032 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.432 -13.545 4.777 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -13.779 -14.357 6.178 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -14.254 -13.037 7.251 1.00 0.00 H new ATOM 695 N ALA A 47 -11.628 -12.260 -0.099 1.00 0.00 N ATOM 696 CA ALA A 47 -11.796 -11.515 -1.341 1.00 0.00 C ATOM 697 C ALA A 47 -12.807 -10.386 -1.172 1.00 0.00 C ATOM 698 O ALA A 47 -13.336 -10.172 -0.082 1.00 0.00 O ATOM 699 CB ALA A 47 -12.227 -12.449 -2.462 1.00 0.00 C ATOM 0 H ALA A 47 -11.761 -13.267 -0.190 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.836 -11.071 -1.602 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.349 -11.880 -3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.468 -13.217 -2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.174 -12.920 -2.199 1.00 0.00 H new ATOM 705 N GLY A 48 -13.071 -9.667 -2.258 1.00 0.00 N ATOM 706 CA GLY A 48 -14.018 -8.568 -2.208 1.00 0.00 C ATOM 707 C GLY A 48 -13.843 -7.708 -0.972 1.00 0.00 C ATOM 708 O GLY A 48 -14.819 -7.212 -0.410 1.00 0.00 O ATOM 0 H GLY A 48 -12.646 -9.826 -3.172 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.899 -7.949 -3.097 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.033 -8.965 -2.230 1.00 0.00 H new ATOM 712 N ALA A 49 -12.596 -7.531 -0.548 1.00 0.00 N ATOM 713 CA ALA A 49 -12.296 -6.724 0.629 1.00 0.00 C ATOM 714 C ALA A 49 -11.994 -5.280 0.242 1.00 0.00 C ATOM 715 O ALA A 49 -11.307 -5.024 -0.746 1.00 0.00 O ATOM 716 CB ALA A 49 -11.127 -7.324 1.395 1.00 0.00 C ATOM 0 H ALA A 49 -11.777 -7.936 -1.002 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.175 -6.723 1.273 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.914 -6.712 2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -11.381 -8.336 1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -10.248 -7.355 0.751 1.00 0.00 H new ATOM 722 N ILE A 50 -12.513 -4.342 1.027 1.00 0.00 N ATOM 723 CA ILE A 50 -12.297 -2.924 0.767 1.00 0.00 C ATOM 724 C ILE A 50 -10.881 -2.505 1.144 1.00 0.00 C ATOM 725 O ILE A 50 -10.529 -2.463 2.323 1.00 0.00 O ATOM 726 CB ILE A 50 -13.303 -2.051 1.540 1.00 0.00 C ATOM 727 CG1 ILE A 50 -14.733 -2.370 1.100 1.00 0.00 C ATOM 728 CG2 ILE A 50 -12.994 -0.576 1.329 1.00 0.00 C ATOM 729 CD1 ILE A 50 -15.155 -3.791 1.400 1.00 0.00 C ATOM 0 H ILE A 50 -13.086 -4.538 1.848 1.00 0.00 H new ATOM 0 HA ILE A 50 -12.444 -2.773 -0.302 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.213 -2.273 2.603 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -15.419 -1.683 1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.823 -2.191 0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.713 0.029 1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -11.987 -0.360 1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -13.060 -0.339 0.267 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.179 -3.946 1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -14.493 -4.484 0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -15.098 -3.969 2.474 1.00 0.00 H new ATOM 741 N ILE A 51 -10.073 -2.194 0.136 1.00 0.00 N ATOM 742 CA ILE A 51 -8.696 -1.774 0.362 1.00 0.00 C ATOM 743 C ILE A 51 -8.633 -0.328 0.842 1.00 0.00 C ATOM 744 O ILE A 51 -7.872 0.003 1.752 1.00 0.00 O ATOM 745 CB ILE A 51 -7.847 -1.917 -0.915 1.00 0.00 C ATOM 746 CG1 ILE A 51 -8.235 -3.188 -1.672 1.00 0.00 C ATOM 747 CG2 ILE A 51 -6.366 -1.933 -0.567 1.00 0.00 C ATOM 748 CD1 ILE A 51 -8.143 -4.444 -0.833 1.00 0.00 C ATOM 0 H ILE A 51 -10.349 -2.225 -0.846 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.290 -2.428 1.134 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.040 -1.060 -1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.254 -3.083 -2.043 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.588 -3.294 -2.543 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.779 -2.035 -1.480 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.100 -1.002 -0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.157 -2.774 0.094 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.433 -5.306 -1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.119 -4.574 -0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.811 -4.359 0.024 1.00 0.00 H new ATOM 760 N LEU A 52 -9.439 0.529 0.225 1.00 0.00 N ATOM 761 CA LEU A 52 -9.478 1.941 0.590 1.00 0.00 C ATOM 762 C LEU A 52 -10.895 2.493 0.481 1.00 0.00 C ATOM 763 O LEU A 52 -11.722 1.964 -0.261 1.00 0.00 O ATOM 764 CB LEU A 52 -8.534 2.746 -0.306 1.00 0.00 C ATOM 765 CG LEU A 52 -7.064 2.325 -0.281 1.00 0.00 C ATOM 766 CD1 LEU A 52 -6.376 2.716 -1.580 1.00 0.00 C ATOM 767 CD2 LEU A 52 -6.351 2.947 0.910 1.00 0.00 C ATOM 0 H LEU A 52 -10.074 0.271 -0.530 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.152 2.032 1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.893 2.678 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.596 3.795 -0.016 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.018 1.241 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.331 2.409 -1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.871 2.223 -2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.432 3.797 -1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.306 2.636 0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.406 4.033 0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.829 2.618 1.833 1.00 0.00 H new ATOM 779 N GLU A 53 -11.168 3.561 1.225 1.00 0.00 N ATOM 780 CA GLU A 53 -12.485 4.186 1.209 1.00 0.00 C ATOM 781 C GLU A 53 -12.427 5.564 0.558 1.00 0.00 C ATOM 782 O GLU A 53 -11.402 6.245 0.612 1.00 0.00 O ATOM 783 CB GLU A 53 -13.034 4.305 2.633 1.00 0.00 C ATOM 784 CG GLU A 53 -13.616 3.009 3.171 1.00 0.00 C ATOM 785 CD GLU A 53 -14.663 3.241 4.244 1.00 0.00 C ATOM 786 OE1 GLU A 53 -14.284 3.337 5.430 1.00 0.00 O ATOM 787 OE2 GLU A 53 -15.859 3.325 3.898 1.00 0.00 O ATOM 0 H GLU A 53 -10.495 4.011 1.846 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.151 3.554 0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -12.234 4.637 3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -13.805 5.076 2.653 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.061 2.446 2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -12.812 2.396 3.579 1.00 0.00 H new ATOM 794 N ASP A 54 -13.532 5.969 -0.057 1.00 0.00 N ATOM 795 CA ASP A 54 -13.608 7.266 -0.719 1.00 0.00 C ATOM 796 C ASP A 54 -13.532 8.400 0.298 1.00 0.00 C ATOM 797 O ASP A 54 -14.134 8.329 1.368 1.00 0.00 O ATOM 798 CB ASP A 54 -14.902 7.375 -1.528 1.00 0.00 C ATOM 799 CG ASP A 54 -16.131 7.059 -0.699 1.00 0.00 C ATOM 800 OD1 ASP A 54 -16.434 7.835 0.232 1.00 0.00 O ATOM 801 OD2 ASP A 54 -16.790 6.036 -0.980 1.00 0.00 O ATOM 0 H ASP A 54 -14.388 5.418 -0.111 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.758 7.351 -1.396 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.990 8.383 -1.933 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.855 6.693 -2.377 1.00 0.00 H new ATOM 806 N GLY A 55 -12.787 9.447 -0.044 1.00 0.00 N ATOM 807 CA GLY A 55 -12.645 10.581 0.850 1.00 0.00 C ATOM 808 C GLY A 55 -11.800 10.258 2.066 1.00 0.00 C ATOM 809 O GLY A 55 -12.113 10.684 3.177 1.00 0.00 O ATOM 0 H GLY A 55 -12.279 9.530 -0.925 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.194 11.412 0.308 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -13.632 10.910 1.174 1.00 0.00 H new ATOM 813 N GLN A 56 -10.728 9.501 1.856 1.00 0.00 N ATOM 814 CA GLN A 56 -9.837 9.120 2.945 1.00 0.00 C ATOM 815 C GLN A 56 -8.433 9.673 2.720 1.00 0.00 C ATOM 816 O GLN A 56 -7.742 9.274 1.783 1.00 0.00 O ATOM 817 CB GLN A 56 -9.782 7.597 3.078 1.00 0.00 C ATOM 818 CG GLN A 56 -8.738 7.109 4.069 1.00 0.00 C ATOM 819 CD GLN A 56 -8.767 5.605 4.255 1.00 0.00 C ATOM 820 OE1 GLN A 56 -9.821 4.976 4.156 1.00 0.00 O ATOM 821 NE2 GLN A 56 -7.607 5.019 4.527 1.00 0.00 N ATOM 0 H GLN A 56 -10.456 9.140 0.942 1.00 0.00 H new ATOM 0 HA GLN A 56 -10.231 9.545 3.868 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.762 7.232 3.386 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -9.573 7.163 2.100 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.748 7.410 3.725 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.902 7.593 5.032 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.758 5.579 4.600 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.565 4.009 4.663 1.00 0.00 H new ATOM 830 N GLU A 57 -8.020 10.593 3.585 1.00 0.00 N ATOM 831 CA GLU A 57 -6.699 11.202 3.479 1.00 0.00 C ATOM 832 C GLU A 57 -5.617 10.134 3.343 1.00 0.00 C ATOM 833 O GLU A 57 -5.121 9.606 4.339 1.00 0.00 O ATOM 834 CB GLU A 57 -6.416 12.077 4.701 1.00 0.00 C ATOM 835 CG GLU A 57 -5.243 13.024 4.513 1.00 0.00 C ATOM 836 CD GLU A 57 -5.267 14.183 5.491 1.00 0.00 C ATOM 837 OE1 GLU A 57 -5.905 15.210 5.180 1.00 0.00 O ATOM 838 OE2 GLU A 57 -4.646 14.062 6.568 1.00 0.00 O ATOM 0 H GLU A 57 -8.580 10.933 4.367 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.685 11.825 2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.308 12.659 4.935 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.220 11.435 5.560 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.311 12.471 4.633 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.254 13.412 3.495 1.00 0.00 H new ATOM 845 N LEU A 58 -5.257 9.820 2.103 1.00 0.00 N ATOM 846 CA LEU A 58 -4.234 8.814 1.835 1.00 0.00 C ATOM 847 C LEU A 58 -2.857 9.311 2.261 1.00 0.00 C ATOM 848 O LEU A 58 -2.431 10.400 1.874 1.00 0.00 O ATOM 849 CB LEU A 58 -4.222 8.454 0.349 1.00 0.00 C ATOM 850 CG LEU A 58 -5.550 7.971 -0.236 1.00 0.00 C ATOM 851 CD1 LEU A 58 -5.624 8.285 -1.722 1.00 0.00 C ATOM 852 CD2 LEU A 58 -5.727 6.479 0.006 1.00 0.00 C ATOM 0 H LEU A 58 -5.658 10.247 1.268 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.474 7.924 2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.897 9.329 -0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.474 7.677 0.190 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.361 8.499 0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.576 7.934 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.543 9.362 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.806 7.785 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.677 6.152 -0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.912 5.934 -0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.719 6.281 1.078 1.00 0.00 H new ATOM 864 N ASP A 59 -2.164 8.506 3.059 1.00 0.00 N ATOM 865 CA ASP A 59 -0.832 8.863 3.535 1.00 0.00 C ATOM 866 C ASP A 59 0.176 7.767 3.202 1.00 0.00 C ATOM 867 O ASP A 59 1.363 8.036 3.020 1.00 0.00 O ATOM 868 CB ASP A 59 -0.856 9.109 5.045 1.00 0.00 C ATOM 869 CG ASP A 59 0.493 8.868 5.692 1.00 0.00 C ATOM 870 OD1 ASP A 59 1.504 9.378 5.164 1.00 0.00 O ATOM 871 OD2 ASP A 59 0.539 8.169 6.726 1.00 0.00 O ATOM 0 H ASP A 59 -2.502 7.602 3.390 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.526 9.779 3.030 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.170 10.135 5.238 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.598 8.456 5.505 1.00 0.00 H new ATOM 876 N SER A 60 -0.306 6.531 3.125 1.00 0.00 N ATOM 877 CA SER A 60 0.553 5.393 2.819 1.00 0.00 C ATOM 878 C SER A 60 0.350 4.931 1.379 1.00 0.00 C ATOM 879 O SER A 60 -0.718 5.126 0.798 1.00 0.00 O ATOM 880 CB SER A 60 0.270 4.239 3.782 1.00 0.00 C ATOM 881 OG SER A 60 0.402 4.656 5.130 1.00 0.00 O ATOM 0 H SER A 60 -1.287 6.292 3.270 1.00 0.00 H new ATOM 0 HA SER A 60 1.589 5.709 2.938 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.737 3.859 3.613 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.959 3.418 3.583 1.00 0.00 H new ATOM 0 HG SER A 60 0.214 3.901 5.726 1.00 0.00 H new ATOM 887 N TRP A 61 1.381 4.317 0.811 1.00 0.00 N ATOM 888 CA TRP A 61 1.317 3.826 -0.561 1.00 0.00 C ATOM 889 C TRP A 61 0.982 2.338 -0.592 1.00 0.00 C ATOM 890 O TRP A 61 1.399 1.580 0.284 1.00 0.00 O ATOM 891 CB TRP A 61 2.644 4.077 -1.277 1.00 0.00 C ATOM 892 CG TRP A 61 2.614 3.710 -2.730 1.00 0.00 C ATOM 893 CD1 TRP A 61 1.584 3.908 -3.604 1.00 0.00 C ATOM 894 CD2 TRP A 61 3.661 3.080 -3.476 1.00 0.00 C ATOM 895 NE1 TRP A 61 1.927 3.439 -4.849 1.00 0.00 N ATOM 896 CE2 TRP A 61 3.197 2.926 -4.797 1.00 0.00 C ATOM 897 CE3 TRP A 61 4.946 2.631 -3.158 1.00 0.00 C ATOM 898 CZ2 TRP A 61 3.972 2.343 -5.796 1.00 0.00 C ATOM 899 CZ3 TRP A 61 5.714 2.053 -4.150 1.00 0.00 C ATOM 900 CH2 TRP A 61 5.226 1.913 -5.456 1.00 0.00 C ATOM 0 H TRP A 61 2.271 4.147 1.279 1.00 0.00 H new ATOM 0 HA TRP A 61 0.525 4.369 -1.078 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.907 5.131 -1.181 1.00 0.00 H new ATOM 0 HB3 TRP A 61 3.429 3.506 -0.782 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.639 4.366 -3.354 1.00 0.00 H new ATOM 0 HE1 TRP A 61 1.333 3.468 -5.678 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.332 2.734 -2.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.597 2.234 -6.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 6.708 1.703 -3.915 1.00 0.00 H new ATOM 0 HH2 TRP A 61 5.852 1.457 -6.209 1.00 0.00 H new ATOM 911 N TYR A 62 0.228 1.927 -1.605 1.00 0.00 N ATOM 912 CA TYR A 62 -0.165 0.530 -1.748 1.00 0.00 C ATOM 913 C TYR A 62 0.163 0.013 -3.145 1.00 0.00 C ATOM 914 O TYR A 62 -0.203 0.624 -4.149 1.00 0.00 O ATOM 915 CB TYR A 62 -1.660 0.368 -1.470 1.00 0.00 C ATOM 916 CG TYR A 62 -2.087 0.902 -0.121 1.00 0.00 C ATOM 917 CD1 TYR A 62 -2.199 2.268 0.103 1.00 0.00 C ATOM 918 CD2 TYR A 62 -2.378 0.040 0.929 1.00 0.00 C ATOM 919 CE1 TYR A 62 -2.588 2.761 1.334 1.00 0.00 C ATOM 920 CE2 TYR A 62 -2.769 0.523 2.163 1.00 0.00 C ATOM 921 CZ TYR A 62 -2.872 1.884 2.360 1.00 0.00 C ATOM 922 OH TYR A 62 -3.261 2.371 3.587 1.00 0.00 O ATOM 0 H TYR A 62 -0.123 2.541 -2.340 1.00 0.00 H new ATOM 0 HA TYR A 62 0.398 -0.056 -1.022 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.224 0.881 -2.249 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.920 -0.689 -1.532 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.978 2.957 -0.699 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.297 -1.026 0.778 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.669 3.826 1.492 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.993 -0.161 2.968 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.424 1.623 4.199 1.00 0.00 H new ATOM 932 N VAL A 63 0.857 -1.120 -3.202 1.00 0.00 N ATOM 933 CA VAL A 63 1.234 -1.723 -4.475 1.00 0.00 C ATOM 934 C VAL A 63 0.708 -3.150 -4.584 1.00 0.00 C ATOM 935 O VAL A 63 0.823 -3.938 -3.645 1.00 0.00 O ATOM 936 CB VAL A 63 2.763 -1.735 -4.659 1.00 0.00 C ATOM 937 CG1 VAL A 63 3.140 -2.451 -5.947 1.00 0.00 C ATOM 938 CG2 VAL A 63 3.312 -0.317 -4.646 1.00 0.00 C ATOM 0 H VAL A 63 1.169 -1.639 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 63 0.786 -1.113 -5.260 1.00 0.00 H new ATOM 0 HB VAL A 63 3.208 -2.279 -3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.224 -2.450 -6.060 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.780 -3.479 -5.910 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.686 -1.938 -6.795 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.394 -0.344 -4.777 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.862 0.255 -5.458 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.074 0.157 -3.694 1.00 0.00 H new ATOM 948 N ILE A 64 0.131 -3.475 -5.736 1.00 0.00 N ATOM 949 CA ILE A 64 -0.411 -4.808 -5.968 1.00 0.00 C ATOM 950 C ILE A 64 0.705 -5.832 -6.148 1.00 0.00 C ATOM 951 O ILE A 64 1.352 -5.885 -7.195 1.00 0.00 O ATOM 952 CB ILE A 64 -1.322 -4.837 -7.209 1.00 0.00 C ATOM 953 CG1 ILE A 64 -2.429 -3.788 -7.080 1.00 0.00 C ATOM 954 CG2 ILE A 64 -1.919 -6.224 -7.397 1.00 0.00 C ATOM 955 CD1 ILE A 64 -2.947 -3.289 -8.411 1.00 0.00 C ATOM 0 H ILE A 64 0.027 -2.834 -6.523 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.000 -5.066 -5.088 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.722 -4.600 -8.087 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.257 -4.213 -6.513 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.051 -2.942 -6.506 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.560 -6.228 -8.278 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.117 -6.950 -7.529 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.508 -6.489 -6.519 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.729 -2.549 -8.243 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.131 -2.834 -8.972 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.355 -4.125 -8.979 1.00 0.00 H new ATOM 967 N LEU A 65 0.925 -6.645 -5.121 1.00 0.00 N ATOM 968 CA LEU A 65 1.962 -7.670 -5.165 1.00 0.00 C ATOM 969 C LEU A 65 1.453 -8.930 -5.856 1.00 0.00 C ATOM 970 O LEU A 65 2.163 -9.543 -6.653 1.00 0.00 O ATOM 971 CB LEU A 65 2.435 -8.006 -3.749 1.00 0.00 C ATOM 972 CG LEU A 65 3.155 -6.886 -2.998 1.00 0.00 C ATOM 973 CD1 LEU A 65 3.284 -7.230 -1.522 1.00 0.00 C ATOM 974 CD2 LEU A 65 4.525 -6.630 -3.609 1.00 0.00 C ATOM 0 H LEU A 65 0.399 -6.614 -4.247 1.00 0.00 H new ATOM 0 HA LEU A 65 2.802 -7.278 -5.738 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.569 -8.312 -3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.102 -8.866 -3.805 1.00 0.00 H new ATOM 0 HG LEU A 65 2.563 -5.975 -3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.799 -6.421 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.292 -7.363 -1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.854 -8.153 -1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.024 -5.830 -3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.125 -7.538 -3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.409 -6.339 -4.653 1.00 0.00 H new ATOM 986 N ASN A 66 0.218 -9.311 -5.547 1.00 0.00 N ATOM 987 CA ASN A 66 -0.388 -10.498 -6.140 1.00 0.00 C ATOM 988 C ASN A 66 -1.910 -10.404 -6.113 1.00 0.00 C ATOM 989 O ASN A 66 -2.497 -9.960 -5.126 1.00 0.00 O ATOM 990 CB ASN A 66 0.071 -11.754 -5.398 1.00 0.00 C ATOM 991 CG ASN A 66 -0.293 -13.028 -6.137 1.00 0.00 C ATOM 992 OD1 ASN A 66 0.431 -13.468 -7.030 1.00 0.00 O ATOM 993 ND2 ASN A 66 -1.420 -13.625 -5.768 1.00 0.00 N ATOM 0 H ASN A 66 -0.383 -8.815 -4.889 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.065 -10.560 -7.179 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.151 -11.715 -5.257 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.380 -11.771 -4.406 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.717 -14.484 -6.230 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.989 -13.224 -5.022 1.00 0.00 H new ATOM 1000 N GLY A 67 -2.544 -10.825 -7.203 1.00 0.00 N ATOM 1001 CA GLY A 67 -3.992 -10.780 -7.283 1.00 0.00 C ATOM 1002 C GLY A 67 -4.492 -9.608 -8.104 1.00 0.00 C ATOM 1003 O GLY A 67 -3.699 -8.847 -8.660 1.00 0.00 O ATOM 0 H GLY A 67 -2.080 -11.196 -8.032 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.357 -11.709 -7.721 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.406 -10.718 -6.277 1.00 0.00 H new ATOM 1007 N THR A 68 -5.811 -9.461 -8.182 1.00 0.00 N ATOM 1008 CA THR A 68 -6.415 -8.375 -8.943 1.00 0.00 C ATOM 1009 C THR A 68 -7.301 -7.509 -8.056 1.00 0.00 C ATOM 1010 O THR A 68 -8.044 -8.018 -7.216 1.00 0.00 O ATOM 1011 CB THR A 68 -7.254 -8.912 -10.118 1.00 0.00 C ATOM 1012 OG1 THR A 68 -6.416 -9.634 -11.028 1.00 0.00 O ATOM 1013 CG2 THR A 68 -7.947 -7.774 -10.853 1.00 0.00 C ATOM 0 H THR A 68 -6.481 -10.081 -7.727 1.00 0.00 H new ATOM 0 HA THR A 68 -5.597 -7.771 -9.336 1.00 0.00 H new ATOM 0 HB THR A 68 -8.015 -9.581 -9.717 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.957 -9.974 -11.771 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.533 -8.178 -11.678 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.606 -7.244 -10.165 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.199 -7.084 -11.243 1.00 0.00 H new ATOM 1021 N VAL A 69 -7.219 -6.196 -8.247 1.00 0.00 N ATOM 1022 CA VAL A 69 -8.015 -5.258 -7.464 1.00 0.00 C ATOM 1023 C VAL A 69 -8.874 -4.380 -8.367 1.00 0.00 C ATOM 1024 O VAL A 69 -8.406 -3.876 -9.387 1.00 0.00 O ATOM 1025 CB VAL A 69 -7.122 -4.357 -6.590 1.00 0.00 C ATOM 1026 CG1 VAL A 69 -6.436 -5.175 -5.506 1.00 0.00 C ATOM 1027 CG2 VAL A 69 -6.099 -3.628 -7.448 1.00 0.00 C ATOM 0 H VAL A 69 -6.609 -5.758 -8.937 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.661 -5.853 -6.818 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.752 -3.612 -6.105 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.810 -4.522 -4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.189 -5.646 -4.874 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.817 -5.945 -5.968 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.477 -2.996 -6.814 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.472 -4.355 -7.963 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.615 -3.009 -8.182 1.00 0.00 H new ATOM 1037 N GLU A 70 -10.135 -4.202 -7.983 1.00 0.00 N ATOM 1038 CA GLU A 70 -11.060 -3.385 -8.759 1.00 0.00 C ATOM 1039 C GLU A 70 -11.424 -2.109 -8.005 1.00 0.00 C ATOM 1040 O GLU A 70 -11.596 -2.125 -6.786 1.00 0.00 O ATOM 1041 CB GLU A 70 -12.328 -4.178 -9.083 1.00 0.00 C ATOM 1042 CG GLU A 70 -13.095 -3.638 -10.278 1.00 0.00 C ATOM 1043 CD GLU A 70 -14.433 -4.326 -10.472 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -15.239 -4.331 -9.518 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -14.673 -4.858 -11.575 1.00 0.00 O ATOM 0 H GLU A 70 -10.538 -4.612 -7.141 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.566 -3.108 -9.690 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.058 -5.216 -9.274 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.982 -4.174 -8.211 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.256 -2.568 -10.148 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.493 -3.762 -11.178 1.00 0.00 H new ATOM 1052 N ILE A 71 -11.539 -1.007 -8.738 1.00 0.00 N ATOM 1053 CA ILE A 71 -11.883 0.276 -8.139 1.00 0.00 C ATOM 1054 C ILE A 71 -13.241 0.766 -8.630 1.00 0.00 C ATOM 1055 O ILE A 71 -13.542 0.701 -9.821 1.00 0.00 O ATOM 1056 CB ILE A 71 -10.820 1.346 -8.452 1.00 0.00 C ATOM 1057 CG1 ILE A 71 -9.443 0.883 -7.974 1.00 0.00 C ATOM 1058 CG2 ILE A 71 -11.195 2.670 -7.802 1.00 0.00 C ATOM 1059 CD1 ILE A 71 -8.303 1.715 -8.519 1.00 0.00 C ATOM 0 H ILE A 71 -11.399 -0.977 -9.748 1.00 0.00 H new ATOM 0 HA ILE A 71 -11.924 0.120 -7.061 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.779 1.492 -9.531 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -9.416 0.914 -6.885 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.296 -0.156 -8.267 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -10.435 3.416 -8.032 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -12.159 3.004 -8.186 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -11.260 2.539 -6.722 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -7.357 1.330 -8.139 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.304 1.664 -9.608 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.426 2.751 -8.204 1.00 0.00 H new ATOM 1071 N SER A 72 -14.057 1.257 -7.702 1.00 0.00 N ATOM 1072 CA SER A 72 -15.385 1.756 -8.040 1.00 0.00 C ATOM 1073 C SER A 72 -15.512 3.237 -7.696 1.00 0.00 C ATOM 1074 O SER A 72 -15.159 3.663 -6.596 1.00 0.00 O ATOM 1075 CB SER A 72 -16.458 0.955 -7.300 1.00 0.00 C ATOM 1076 OG SER A 72 -17.662 0.905 -8.045 1.00 0.00 O ATOM 0 H SER A 72 -13.822 1.320 -6.711 1.00 0.00 H new ATOM 0 HA SER A 72 -15.529 1.636 -9.114 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.098 -0.057 -7.116 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.648 1.408 -6.327 1.00 0.00 H new ATOM 0 HG SER A 72 -18.331 0.386 -7.551 1.00 0.00 H new ATOM 1082 N HIS A 73 -16.019 4.017 -8.645 1.00 0.00 N ATOM 1083 CA HIS A 73 -16.194 5.451 -8.444 1.00 0.00 C ATOM 1084 C HIS A 73 -17.651 5.783 -8.136 1.00 0.00 C ATOM 1085 O HIS A 73 -18.576 5.124 -8.611 1.00 0.00 O ATOM 1086 CB HIS A 73 -15.734 6.222 -9.682 1.00 0.00 C ATOM 1087 CG HIS A 73 -14.275 6.058 -9.981 1.00 0.00 C ATOM 1088 ND1 HIS A 73 -13.304 6.895 -9.475 1.00 0.00 N ATOM 1089 CD2 HIS A 73 -13.624 5.145 -10.739 1.00 0.00 C ATOM 1090 CE1 HIS A 73 -12.119 6.506 -9.909 1.00 0.00 C ATOM 1091 NE2 HIS A 73 -12.286 5.445 -10.678 1.00 0.00 N ATOM 0 H HIS A 73 -16.316 3.680 -9.561 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.583 5.750 -7.592 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -16.313 5.889 -10.543 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -15.951 7.281 -9.542 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -14.074 4.332 -11.289 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -11.175 6.975 -9.675 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -11.541 4.932 -11.150 1.00 0.00 H new ATOM 1100 N PRO A 74 -17.862 6.829 -7.323 1.00 0.00 N ATOM 1101 CA PRO A 74 -19.204 7.271 -6.934 1.00 0.00 C ATOM 1102 C PRO A 74 -19.968 7.897 -8.096 1.00 0.00 C ATOM 1103 O PRO A 74 -21.188 8.048 -8.040 1.00 0.00 O ATOM 1104 CB PRO A 74 -18.932 8.316 -5.849 1.00 0.00 C ATOM 1105 CG PRO A 74 -17.564 8.824 -6.146 1.00 0.00 C ATOM 1106 CD PRO A 74 -16.806 7.660 -6.721 1.00 0.00 C ATOM 0 HA PRO A 74 -19.826 6.440 -6.600 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -19.668 9.119 -5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -18.983 7.875 -4.853 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -17.601 9.653 -6.852 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -17.081 9.196 -5.242 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -16.077 7.983 -7.464 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -16.258 7.117 -5.951 1.00 0.00 H new ATOM 1114 N ASP A 75 -19.242 8.258 -9.149 1.00 0.00 N ATOM 1115 CA ASP A 75 -19.852 8.865 -10.326 1.00 0.00 C ATOM 1116 C ASP A 75 -20.580 7.818 -11.163 1.00 0.00 C ATOM 1117 O ASP A 75 -21.711 8.032 -11.597 1.00 0.00 O ATOM 1118 CB ASP A 75 -18.789 9.565 -11.174 1.00 0.00 C ATOM 1119 CG ASP A 75 -19.371 10.208 -12.417 1.00 0.00 C ATOM 1120 OD1 ASP A 75 -20.569 10.557 -12.399 1.00 0.00 O ATOM 1121 OD2 ASP A 75 -18.628 10.360 -13.410 1.00 0.00 O ATOM 0 H ASP A 75 -18.231 8.141 -9.211 1.00 0.00 H new ATOM 0 HA ASP A 75 -20.580 9.603 -9.988 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -18.293 10.327 -10.573 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -18.027 8.842 -11.465 1.00 0.00 H new ATOM 1126 N GLY A 76 -19.922 6.684 -11.386 1.00 0.00 N ATOM 1127 CA GLY A 76 -20.521 5.621 -12.171 1.00 0.00 C ATOM 1128 C GLY A 76 -19.512 4.909 -13.049 1.00 0.00 C ATOM 1129 O GLY A 76 -19.839 4.463 -14.149 1.00 0.00 O ATOM 0 H GLY A 76 -18.985 6.483 -11.037 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -20.989 4.899 -11.502 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -21.312 6.036 -12.795 1.00 0.00 H new ATOM 1133 N LYS A 77 -18.279 4.803 -12.565 1.00 0.00 N ATOM 1134 CA LYS A 77 -17.217 4.141 -13.312 1.00 0.00 C ATOM 1135 C LYS A 77 -16.525 3.085 -12.455 1.00 0.00 C ATOM 1136 O LYS A 77 -16.650 3.086 -11.231 1.00 0.00 O ATOM 1137 CB LYS A 77 -16.192 5.168 -13.801 1.00 0.00 C ATOM 1138 CG LYS A 77 -15.489 4.762 -15.085 1.00 0.00 C ATOM 1139 CD LYS A 77 -14.442 5.784 -15.494 1.00 0.00 C ATOM 1140 CE LYS A 77 -15.068 6.956 -16.235 1.00 0.00 C ATOM 1141 NZ LYS A 77 -14.203 8.167 -16.187 1.00 0.00 N ATOM 0 H LYS A 77 -17.991 5.168 -11.657 1.00 0.00 H new ATOM 0 HA LYS A 77 -17.667 3.647 -14.173 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.693 6.123 -13.958 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.446 5.324 -13.022 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.016 3.789 -14.950 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -16.223 4.652 -15.884 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.922 6.148 -14.608 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.695 5.307 -16.129 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.245 6.677 -17.274 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -16.039 7.186 -15.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.664 8.944 -16.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.055 8.449 -15.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.285 7.956 -16.628 1.00 0.00 H new ATOM 1155 N VAL A 78 -15.794 2.187 -13.107 1.00 0.00 N ATOM 1156 CA VAL A 78 -15.080 1.127 -12.405 1.00 0.00 C ATOM 1157 C VAL A 78 -13.790 0.759 -13.130 1.00 0.00 C ATOM 1158 O VAL A 78 -13.816 0.338 -14.286 1.00 0.00 O ATOM 1159 CB VAL A 78 -15.951 -0.135 -12.257 1.00 0.00 C ATOM 1160 CG1 VAL A 78 -15.213 -1.204 -11.466 1.00 0.00 C ATOM 1161 CG2 VAL A 78 -17.278 0.209 -11.596 1.00 0.00 C ATOM 0 H VAL A 78 -15.681 2.172 -14.121 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.839 1.511 -11.414 1.00 0.00 H new ATOM 0 HB VAL A 78 -16.158 -0.531 -13.251 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.844 -2.088 -11.372 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -14.292 -1.470 -11.985 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -14.973 -0.822 -10.474 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -17.881 -0.694 -11.499 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -17.094 0.630 -10.608 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -17.811 0.937 -12.207 1.00 0.00 H new ATOM 1171 N GLU A 79 -12.664 0.920 -12.442 1.00 0.00 N ATOM 1172 CA GLU A 79 -11.364 0.605 -13.021 1.00 0.00 C ATOM 1173 C GLU A 79 -10.963 -0.834 -12.708 1.00 0.00 C ATOM 1174 O GLU A 79 -11.588 -1.497 -11.882 1.00 0.00 O ATOM 1175 CB GLU A 79 -10.299 1.569 -12.495 1.00 0.00 C ATOM 1176 CG GLU A 79 -10.137 2.819 -13.343 1.00 0.00 C ATOM 1177 CD GLU A 79 -10.065 2.513 -14.826 1.00 0.00 C ATOM 1178 OE1 GLU A 79 -9.243 1.657 -15.216 1.00 0.00 O ATOM 1179 OE2 GLU A 79 -10.830 3.129 -15.597 1.00 0.00 O ATOM 0 H GLU A 79 -12.626 1.267 -11.483 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.441 0.715 -14.103 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.557 1.862 -11.477 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.343 1.048 -12.444 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.974 3.492 -13.155 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.231 3.344 -13.040 1.00 0.00 H new ATOM 1186 N ASN A 80 -9.916 -1.309 -13.374 1.00 0.00 N ATOM 1187 CA ASN A 80 -9.431 -2.669 -13.168 1.00 0.00 C ATOM 1188 C ASN A 80 -7.910 -2.725 -13.270 1.00 0.00 C ATOM 1189 O ASN A 80 -7.345 -2.618 -14.359 1.00 0.00 O ATOM 1190 CB ASN A 80 -10.058 -3.616 -14.192 1.00 0.00 C ATOM 1191 CG ASN A 80 -11.443 -3.170 -14.621 1.00 0.00 C ATOM 1192 OD1 ASN A 80 -12.451 -3.688 -14.140 1.00 0.00 O ATOM 1193 ND2 ASN A 80 -11.497 -2.204 -15.531 1.00 0.00 N ATOM 0 H ASN A 80 -9.387 -0.772 -14.061 1.00 0.00 H new ATOM 0 HA ASN A 80 -9.722 -2.985 -12.166 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.412 -3.679 -15.068 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.117 -4.618 -13.767 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -12.400 -1.862 -15.859 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.635 -1.804 -15.902 1.00 0.00 H new ATOM 1200 N LEU A 81 -7.252 -2.895 -12.128 1.00 0.00 N ATOM 1201 CA LEU A 81 -5.795 -2.967 -12.088 1.00 0.00 C ATOM 1202 C LEU A 81 -5.324 -4.415 -11.993 1.00 0.00 C ATOM 1203 O LEU A 81 -6.057 -5.288 -11.527 1.00 0.00 O ATOM 1204 CB LEU A 81 -5.258 -2.165 -10.902 1.00 0.00 C ATOM 1205 CG LEU A 81 -5.659 -0.690 -10.852 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -5.652 -0.184 -9.418 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -4.727 0.145 -11.719 1.00 0.00 C ATOM 0 H LEU A 81 -7.704 -2.985 -11.218 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.409 -2.539 -13.013 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.595 -2.644 -9.983 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.170 -2.225 -10.912 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.671 -0.594 -11.244 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.940 0.867 -9.402 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.359 -0.763 -8.824 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.652 -0.293 -8.999 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.027 1.192 -11.672 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.704 0.044 -11.356 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.782 -0.202 -12.751 1.00 0.00 H new ATOM 1219 N PHE A 82 -4.096 -4.663 -12.437 1.00 0.00 N ATOM 1220 CA PHE A 82 -3.526 -6.004 -12.401 1.00 0.00 C ATOM 1221 C PHE A 82 -2.165 -5.999 -11.710 1.00 0.00 C ATOM 1222 O PHE A 82 -1.665 -4.948 -11.311 1.00 0.00 O ATOM 1223 CB PHE A 82 -3.389 -6.561 -13.819 1.00 0.00 C ATOM 1224 CG PHE A 82 -4.681 -6.577 -14.585 1.00 0.00 C ATOM 1225 CD1 PHE A 82 -5.789 -7.244 -14.087 1.00 0.00 C ATOM 1226 CD2 PHE A 82 -4.789 -5.923 -15.801 1.00 0.00 C ATOM 1227 CE1 PHE A 82 -6.979 -7.261 -14.790 1.00 0.00 C ATOM 1228 CE2 PHE A 82 -5.976 -5.935 -16.509 1.00 0.00 C ATOM 1229 CZ PHE A 82 -7.073 -6.604 -16.002 1.00 0.00 C ATOM 0 H PHE A 82 -3.477 -3.952 -12.826 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.200 -6.643 -11.831 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.659 -5.964 -14.366 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.995 -7.576 -13.765 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.722 -7.756 -13.139 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.935 -5.397 -16.201 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.834 -7.787 -14.392 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -6.046 -5.422 -17.457 1.00 0.00 H new ATOM 0 HZ PHE A 82 -8.002 -6.614 -16.552 1.00 0.00 H new ATOM 1239 N MET A 83 -1.573 -7.181 -11.574 1.00 0.00 N ATOM 1240 CA MET A 83 -0.270 -7.313 -10.932 1.00 0.00 C ATOM 1241 C MET A 83 0.751 -6.384 -11.581 1.00 0.00 C ATOM 1242 O MET A 83 1.055 -6.510 -12.767 1.00 0.00 O ATOM 1243 CB MET A 83 0.217 -8.761 -11.012 1.00 0.00 C ATOM 1244 CG MET A 83 1.588 -8.975 -10.392 1.00 0.00 C ATOM 1245 SD MET A 83 1.976 -10.720 -10.150 1.00 0.00 S ATOM 1246 CE MET A 83 3.674 -10.615 -9.592 1.00 0.00 C ATOM 0 H MET A 83 -1.974 -8.060 -11.899 1.00 0.00 H new ATOM 0 HA MET A 83 -0.378 -7.031 -9.885 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.504 -9.407 -10.511 1.00 0.00 H new ATOM 0 HB3 MET A 83 0.248 -9.068 -12.057 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.346 -8.523 -11.032 1.00 0.00 H new ATOM 0 HG3 MET A 83 1.633 -8.460 -9.432 1.00 0.00 H new ATOM 0 HE1 MET A 83 4.085 -11.619 -9.485 1.00 0.00 H new ATOM 0 HE2 MET A 83 4.263 -10.058 -10.321 1.00 0.00 H new ATOM 0 HE3 MET A 83 3.710 -10.104 -8.630 1.00 0.00 H new ATOM 1256 N GLY A 84 1.279 -5.450 -10.795 1.00 0.00 N ATOM 1257 CA GLY A 84 2.260 -4.514 -11.311 1.00 0.00 C ATOM 1258 C GLY A 84 1.849 -3.070 -11.104 1.00 0.00 C ATOM 1259 O GLY A 84 2.696 -2.195 -10.927 1.00 0.00 O ATOM 0 H GLY A 84 1.044 -5.325 -9.810 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.218 -4.690 -10.821 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.408 -4.697 -12.375 1.00 0.00 H new ATOM 1263 N ASN A 85 0.544 -2.818 -11.127 1.00 0.00 N ATOM 1264 CA ASN A 85 0.022 -1.469 -10.942 1.00 0.00 C ATOM 1265 C ASN A 85 0.244 -0.991 -9.511 1.00 0.00 C ATOM 1266 O ASN A 85 0.636 -1.768 -8.640 1.00 0.00 O ATOM 1267 CB ASN A 85 -1.470 -1.426 -11.280 1.00 0.00 C ATOM 1268 CG ASN A 85 -1.723 -1.352 -12.773 1.00 0.00 C ATOM 1269 OD1 ASN A 85 -1.687 -2.366 -13.471 1.00 0.00 O ATOM 1270 ND2 ASN A 85 -1.980 -0.148 -13.271 1.00 0.00 N ATOM 0 H ASN A 85 -0.171 -3.531 -11.272 1.00 0.00 H new ATOM 0 HA ASN A 85 0.560 -0.803 -11.616 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -1.957 -2.313 -10.875 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -1.925 -0.563 -10.794 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -2.158 -0.036 -14.269 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -2.000 0.665 -12.655 1.00 0.00 H new ATOM 1277 N SER A 86 -0.009 0.292 -9.275 1.00 0.00 N ATOM 1278 CA SER A 86 0.166 0.875 -7.950 1.00 0.00 C ATOM 1279 C SER A 86 -0.932 1.891 -7.654 1.00 0.00 C ATOM 1280 O SER A 86 -1.362 2.634 -8.537 1.00 0.00 O ATOM 1281 CB SER A 86 1.538 1.544 -7.841 1.00 0.00 C ATOM 1282 OG SER A 86 1.722 2.500 -8.871 1.00 0.00 O ATOM 0 H SER A 86 -0.336 0.948 -9.984 1.00 0.00 H new ATOM 0 HA SER A 86 0.102 0.072 -7.216 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.634 2.029 -6.869 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.321 0.788 -7.898 1.00 0.00 H new ATOM 0 HG SER A 86 2.605 2.915 -8.779 1.00 0.00 H new ATOM 1288 N PHE A 87 -1.383 1.919 -6.404 1.00 0.00 N ATOM 1289 CA PHE A 87 -2.432 2.843 -5.989 1.00 0.00 C ATOM 1290 C PHE A 87 -2.208 3.313 -4.555 1.00 0.00 C ATOM 1291 O PHE A 87 -1.684 2.574 -3.723 1.00 0.00 O ATOM 1292 CB PHE A 87 -3.805 2.177 -6.112 1.00 0.00 C ATOM 1293 CG PHE A 87 -3.980 0.995 -5.203 1.00 0.00 C ATOM 1294 CD1 PHE A 87 -4.139 1.171 -3.837 1.00 0.00 C ATOM 1295 CD2 PHE A 87 -3.988 -0.293 -5.713 1.00 0.00 C ATOM 1296 CE1 PHE A 87 -4.300 0.084 -2.999 1.00 0.00 C ATOM 1297 CE2 PHE A 87 -4.149 -1.384 -4.880 1.00 0.00 C ATOM 1298 CZ PHE A 87 -4.306 -1.195 -3.520 1.00 0.00 C ATOM 0 H PHE A 87 -1.038 1.312 -5.661 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.397 3.712 -6.646 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.578 2.913 -5.891 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.954 1.858 -7.143 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.137 2.169 -3.423 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.867 -0.447 -6.775 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.421 0.235 -1.936 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.152 -2.383 -5.291 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.433 -2.045 -2.866 1.00 0.00 H new ATOM 1308 N GLY A 88 -2.610 4.549 -4.274 1.00 0.00 N ATOM 1309 CA GLY A 88 -2.444 5.097 -2.940 1.00 0.00 C ATOM 1310 C GLY A 88 -2.033 6.556 -2.960 1.00 0.00 C ATOM 1311 O GLY A 88 -2.843 7.432 -3.263 1.00 0.00 O ATOM 0 H GLY A 88 -3.047 5.180 -4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.379 4.994 -2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.692 4.518 -2.404 1.00 0.00 H new ATOM 1315 N ILE A 89 -0.771 6.818 -2.636 1.00 0.00 N ATOM 1316 CA ILE A 89 -0.255 8.181 -2.617 1.00 0.00 C ATOM 1317 C ILE A 89 0.929 8.333 -3.566 1.00 0.00 C ATOM 1318 O ILE A 89 1.571 7.350 -3.939 1.00 0.00 O ATOM 1319 CB ILE A 89 0.180 8.599 -1.200 1.00 0.00 C ATOM 1320 CG1 ILE A 89 1.400 7.788 -0.758 1.00 0.00 C ATOM 1321 CG2 ILE A 89 -0.968 8.416 -0.218 1.00 0.00 C ATOM 1322 CD1 ILE A 89 2.309 8.535 0.193 1.00 0.00 C ATOM 0 H ILE A 89 -0.087 6.104 -2.383 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.067 8.831 -2.945 1.00 0.00 H new ATOM 0 HB ILE A 89 0.454 9.654 -1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.061 6.870 -0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.971 7.496 -1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.645 8.716 0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.812 9.032 -0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.270 7.369 -0.202 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.152 7.900 0.464 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.677 9.440 -0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.754 8.804 1.091 1.00 0.00 H new ATOM 1334 N THR A 90 1.216 9.572 -3.952 1.00 0.00 N ATOM 1335 CA THR A 90 2.323 9.854 -4.857 1.00 0.00 C ATOM 1336 C THR A 90 3.633 10.005 -4.092 1.00 0.00 C ATOM 1337 O THR A 90 3.651 10.275 -2.890 1.00 0.00 O ATOM 1338 CB THR A 90 2.069 11.135 -5.674 1.00 0.00 C ATOM 1339 OG1 THR A 90 1.331 12.078 -4.889 1.00 0.00 O ATOM 1340 CG2 THR A 90 1.303 10.819 -6.950 1.00 0.00 C ATOM 0 H THR A 90 0.697 10.397 -3.652 1.00 0.00 H new ATOM 0 HA THR A 90 2.398 9.006 -5.538 1.00 0.00 H new ATOM 0 HB THR A 90 3.033 11.565 -5.945 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.870 12.885 -4.755 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.135 11.738 -7.511 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.881 10.123 -7.558 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.343 10.368 -6.696 1.00 0.00 H new ATOM 1348 N PRO A 91 4.757 9.828 -4.802 1.00 0.00 N ATOM 1349 CA PRO A 91 6.093 9.942 -4.209 1.00 0.00 C ATOM 1350 C PRO A 91 6.441 11.378 -3.832 1.00 0.00 C ATOM 1351 O PRO A 91 7.546 11.659 -3.367 1.00 0.00 O ATOM 1352 CB PRO A 91 7.018 9.442 -5.322 1.00 0.00 C ATOM 1353 CG PRO A 91 6.263 9.690 -6.582 1.00 0.00 C ATOM 1354 CD PRO A 91 4.811 9.505 -6.237 1.00 0.00 C ATOM 0 HA PRO A 91 6.176 9.378 -3.280 1.00 0.00 H new ATOM 0 HB2 PRO A 91 7.968 9.977 -5.318 1.00 0.00 H new ATOM 0 HB3 PRO A 91 7.248 8.384 -5.200 1.00 0.00 H new ATOM 0 HG2 PRO A 91 6.450 10.696 -6.958 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.570 8.996 -7.364 1.00 0.00 H new ATOM 0 HD2 PRO A 91 4.172 10.166 -6.822 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.478 8.485 -6.432 1.00 0.00 H new ATOM 1362 N THR A 92 5.490 12.285 -4.035 1.00 0.00 N ATOM 1363 CA THR A 92 5.696 13.692 -3.717 1.00 0.00 C ATOM 1364 C THR A 92 5.076 14.048 -2.371 1.00 0.00 C ATOM 1365 O THR A 92 3.919 13.720 -2.102 1.00 0.00 O ATOM 1366 CB THR A 92 5.097 14.606 -4.802 1.00 0.00 C ATOM 1367 OG1 THR A 92 3.676 14.439 -4.856 1.00 0.00 O ATOM 1368 CG2 THR A 92 5.701 14.297 -6.164 1.00 0.00 C ATOM 0 H THR A 92 4.570 12.070 -4.418 1.00 0.00 H new ATOM 0 HA THR A 92 6.773 13.851 -3.671 1.00 0.00 H new ATOM 0 HB THR A 92 5.331 15.639 -4.544 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.364 14.021 -4.026 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.263 14.955 -6.914 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.779 14.455 -6.128 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.495 13.259 -6.427 1.00 0.00 H new ATOM 1376 N LEU A 93 5.851 14.720 -1.527 1.00 0.00 N ATOM 1377 CA LEU A 93 5.377 15.122 -0.207 1.00 0.00 C ATOM 1378 C LEU A 93 3.895 15.480 -0.246 1.00 0.00 C ATOM 1379 O LEU A 93 3.155 15.204 0.698 1.00 0.00 O ATOM 1380 CB LEU A 93 6.188 16.313 0.307 1.00 0.00 C ATOM 1381 CG LEU A 93 7.547 15.984 0.924 1.00 0.00 C ATOM 1382 CD1 LEU A 93 8.198 17.239 1.484 1.00 0.00 C ATOM 1383 CD2 LEU A 93 7.398 14.929 2.010 1.00 0.00 C ATOM 0 H LEU A 93 6.810 14.998 -1.733 1.00 0.00 H new ATOM 0 HA LEU A 93 5.510 14.280 0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.345 17.004 -0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.591 16.839 1.052 1.00 0.00 H new ATOM 0 HG LEU A 93 8.192 15.584 0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.164 16.984 1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.340 17.964 0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.556 17.670 2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 93 8.375 14.707 2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.736 15.302 2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.976 14.021 1.580 1.00 0.00 H new ATOM 1395 N ASP A 94 3.468 16.093 -1.344 1.00 0.00 N ATOM 1396 CA ASP A 94 2.074 16.485 -1.508 1.00 0.00 C ATOM 1397 C ASP A 94 1.138 15.367 -1.060 1.00 0.00 C ATOM 1398 O ASP A 94 1.403 14.188 -1.299 1.00 0.00 O ATOM 1399 CB ASP A 94 1.792 16.849 -2.967 1.00 0.00 C ATOM 1400 CG ASP A 94 2.463 18.144 -3.381 1.00 0.00 C ATOM 1401 OD1 ASP A 94 2.064 19.210 -2.866 1.00 0.00 O ATOM 1402 OD2 ASP A 94 3.387 18.092 -4.218 1.00 0.00 O ATOM 0 H ASP A 94 4.068 16.329 -2.134 1.00 0.00 H new ATOM 0 HA ASP A 94 1.893 17.359 -0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.137 16.042 -3.613 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.716 16.938 -3.115 1.00 0.00 H new ATOM 1407 N LYS A 95 0.043 15.744 -0.409 1.00 0.00 N ATOM 1408 CA LYS A 95 -0.933 14.773 0.074 1.00 0.00 C ATOM 1409 C LYS A 95 -1.830 14.293 -1.063 1.00 0.00 C ATOM 1410 O LYS A 95 -1.818 14.859 -2.156 1.00 0.00 O ATOM 1411 CB LYS A 95 -1.786 15.387 1.186 1.00 0.00 C ATOM 1412 CG LYS A 95 -1.111 15.375 2.547 1.00 0.00 C ATOM 1413 CD LYS A 95 -0.294 16.636 2.776 1.00 0.00 C ATOM 1414 CE LYS A 95 -0.193 16.973 4.255 1.00 0.00 C ATOM 1415 NZ LYS A 95 0.563 18.236 4.485 1.00 0.00 N ATOM 0 H LYS A 95 -0.191 16.715 -0.203 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.390 13.916 0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.030 16.415 0.920 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.728 14.843 1.252 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.866 15.283 3.328 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.463 14.502 2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.706 16.503 2.363 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.751 17.469 2.242 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.194 17.067 4.675 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.298 16.155 4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.610 18.432 5.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.527 18.138 4.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.081 19.022 4.004 1.00 0.00 H new ATOM 1429 N GLN A 96 -2.607 13.249 -0.796 1.00 0.00 N ATOM 1430 CA GLN A 96 -3.510 12.694 -1.797 1.00 0.00 C ATOM 1431 C GLN A 96 -4.788 12.172 -1.148 1.00 0.00 C ATOM 1432 O GLN A 96 -4.740 11.452 -0.150 1.00 0.00 O ATOM 1433 CB GLN A 96 -2.820 11.569 -2.570 1.00 0.00 C ATOM 1434 CG GLN A 96 -2.080 12.047 -3.809 1.00 0.00 C ATOM 1435 CD GLN A 96 -0.810 12.803 -3.474 1.00 0.00 C ATOM 1436 OE1 GLN A 96 -0.574 13.899 -3.983 1.00 0.00 O ATOM 1437 NE2 GLN A 96 0.017 12.221 -2.613 1.00 0.00 N ATOM 0 H GLN A 96 -2.630 12.770 0.105 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.776 13.491 -2.491 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.116 11.064 -1.909 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.566 10.831 -2.865 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -1.833 11.189 -4.434 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.737 12.690 -4.395 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.218 11.312 -2.215 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.887 12.683 -2.350 1.00 0.00 H new ATOM 1446 N TYR A 97 -5.929 12.539 -1.720 1.00 0.00 N ATOM 1447 CA TYR A 97 -7.220 12.110 -1.196 1.00 0.00 C ATOM 1448 C TYR A 97 -7.894 11.124 -2.145 1.00 0.00 C ATOM 1449 O TYR A 97 -7.845 11.288 -3.364 1.00 0.00 O ATOM 1450 CB TYR A 97 -8.129 13.319 -0.968 1.00 0.00 C ATOM 1451 CG TYR A 97 -7.432 14.483 -0.300 1.00 0.00 C ATOM 1452 CD1 TYR A 97 -7.004 14.398 1.018 1.00 0.00 C ATOM 1453 CD2 TYR A 97 -7.202 15.668 -0.989 1.00 0.00 C ATOM 1454 CE1 TYR A 97 -6.368 15.460 1.632 1.00 0.00 C ATOM 1455 CE2 TYR A 97 -6.566 16.734 -0.384 1.00 0.00 C ATOM 1456 CZ TYR A 97 -6.151 16.625 0.927 1.00 0.00 C ATOM 1457 OH TYR A 97 -5.516 17.685 1.535 1.00 0.00 O ATOM 0 H TYR A 97 -5.986 13.133 -2.547 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.048 11.609 -0.244 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.529 13.648 -1.927 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.978 13.015 -0.356 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.171 13.486 1.573 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.526 15.757 -2.015 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.043 15.378 2.659 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -6.395 17.648 -0.934 1.00 0.00 H new ATOM 0 HH TYR A 97 -5.441 18.428 0.901 1.00 0.00 H new ATOM 1467 N MET A 98 -8.523 10.101 -1.577 1.00 0.00 N ATOM 1468 CA MET A 98 -9.209 9.090 -2.372 1.00 0.00 C ATOM 1469 C MET A 98 -10.552 9.611 -2.874 1.00 0.00 C ATOM 1470 O MET A 98 -11.253 10.334 -2.165 1.00 0.00 O ATOM 1471 CB MET A 98 -9.419 7.818 -1.547 1.00 0.00 C ATOM 1472 CG MET A 98 -9.681 6.582 -2.392 1.00 0.00 C ATOM 1473 SD MET A 98 -8.172 5.888 -3.094 1.00 0.00 S ATOM 1474 CE MET A 98 -8.851 4.766 -4.314 1.00 0.00 C ATOM 0 H MET A 98 -8.572 9.950 -0.569 1.00 0.00 H new ATOM 0 HA MET A 98 -8.584 8.857 -3.234 1.00 0.00 H new ATOM 0 HB2 MET A 98 -8.538 7.646 -0.929 1.00 0.00 H new ATOM 0 HB3 MET A 98 -10.259 7.969 -0.869 1.00 0.00 H new ATOM 0 HG2 MET A 98 -10.174 5.826 -1.780 1.00 0.00 H new ATOM 0 HG3 MET A 98 -10.368 6.837 -3.198 1.00 0.00 H new ATOM 0 HE1 MET A 98 -8.143 3.958 -4.499 1.00 0.00 H new ATOM 0 HE2 MET A 98 -9.788 4.350 -3.944 1.00 0.00 H new ATOM 0 HE3 MET A 98 -9.036 5.307 -5.242 1.00 0.00 H new ATOM 1484 N HIS A 99 -10.905 9.240 -4.101 1.00 0.00 N ATOM 1485 CA HIS A 99 -12.164 9.670 -4.697 1.00 0.00 C ATOM 1486 C HIS A 99 -13.004 8.468 -5.121 1.00 0.00 C ATOM 1487 O HIS A 99 -13.752 8.534 -6.095 1.00 0.00 O ATOM 1488 CB HIS A 99 -11.900 10.572 -5.903 1.00 0.00 C ATOM 1489 CG HIS A 99 -11.211 11.855 -5.552 1.00 0.00 C ATOM 1490 ND1 HIS A 99 -11.888 13.029 -5.300 1.00 0.00 N ATOM 1491 CD2 HIS A 99 -9.896 12.143 -5.409 1.00 0.00 C ATOM 1492 CE1 HIS A 99 -11.020 13.984 -5.019 1.00 0.00 C ATOM 1493 NE2 HIS A 99 -9.804 13.473 -5.078 1.00 0.00 N ATOM 0 H HIS A 99 -10.337 8.643 -4.701 1.00 0.00 H new ATOM 0 HA HIS A 99 -12.719 10.232 -3.946 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -11.292 10.029 -6.626 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -12.848 10.800 -6.390 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.073 11.455 -5.532 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -11.264 15.009 -4.781 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -8.937 13.983 -4.906 1.00 0.00 H new ATOM 1502 N GLY A 100 -12.873 7.371 -4.381 1.00 0.00 N ATOM 1503 CA GLY A 100 -13.625 6.171 -4.696 1.00 0.00 C ATOM 1504 C GLY A 100 -13.392 5.060 -3.691 1.00 0.00 C ATOM 1505 O GLY A 100 -12.802 5.285 -2.634 1.00 0.00 O ATOM 0 H GLY A 100 -12.260 7.292 -3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.688 6.410 -4.729 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -13.346 5.822 -5.690 1.00 0.00 H new ATOM 1509 N ILE A 101 -13.858 3.860 -4.019 1.00 0.00 N ATOM 1510 CA ILE A 101 -13.698 2.711 -3.136 1.00 0.00 C ATOM 1511 C ILE A 101 -12.990 1.564 -3.849 1.00 0.00 C ATOM 1512 O ILE A 101 -13.386 1.160 -4.942 1.00 0.00 O ATOM 1513 CB ILE A 101 -15.056 2.213 -2.609 1.00 0.00 C ATOM 1514 CG1 ILE A 101 -15.766 3.324 -1.833 1.00 0.00 C ATOM 1515 CG2 ILE A 101 -14.865 0.985 -1.730 1.00 0.00 C ATOM 1516 CD1 ILE A 101 -17.240 3.064 -1.617 1.00 0.00 C ATOM 0 H ILE A 101 -14.349 3.658 -4.890 1.00 0.00 H new ATOM 0 HA ILE A 101 -13.090 3.042 -2.294 1.00 0.00 H new ATOM 0 HB ILE A 101 -15.679 1.935 -3.459 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -15.281 3.446 -0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -15.646 4.265 -2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -15.834 0.645 -1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -14.397 0.191 -2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -14.227 1.239 -0.883 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -17.678 3.893 -1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -17.738 2.971 -2.582 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -17.368 2.140 -1.053 1.00 0.00 H new ATOM 1528 N VAL A 102 -11.941 1.042 -3.222 1.00 0.00 N ATOM 1529 CA VAL A 102 -11.178 -0.061 -3.795 1.00 0.00 C ATOM 1530 C VAL A 102 -11.597 -1.393 -3.184 1.00 0.00 C ATOM 1531 O VAL A 102 -11.826 -1.491 -1.979 1.00 0.00 O ATOM 1532 CB VAL A 102 -9.665 0.134 -3.586 1.00 0.00 C ATOM 1533 CG1 VAL A 102 -8.883 -0.971 -4.279 1.00 0.00 C ATOM 1534 CG2 VAL A 102 -9.230 1.503 -4.088 1.00 0.00 C ATOM 0 H VAL A 102 -11.600 1.365 -2.317 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.390 -0.071 -4.864 1.00 0.00 H new ATOM 0 HB VAL A 102 -9.453 0.080 -2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.816 -0.816 -4.120 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.175 -1.937 -3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -9.097 -0.953 -5.348 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.158 1.624 -3.932 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.454 1.589 -5.151 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.766 2.278 -3.540 1.00 0.00 H new ATOM 1544 N ARG A 103 -11.695 -2.418 -4.025 1.00 0.00 N ATOM 1545 CA ARG A 103 -12.087 -3.746 -3.568 1.00 0.00 C ATOM 1546 C ARG A 103 -11.372 -4.830 -4.370 1.00 0.00 C ATOM 1547 O ARG A 103 -11.300 -4.764 -5.597 1.00 0.00 O ATOM 1548 CB ARG A 103 -13.602 -3.923 -3.688 1.00 0.00 C ATOM 1549 CG ARG A 103 -14.359 -3.571 -2.417 1.00 0.00 C ATOM 1550 CD ARG A 103 -15.717 -4.252 -2.371 1.00 0.00 C ATOM 1551 NE ARG A 103 -15.655 -5.631 -2.851 1.00 0.00 N ATOM 1552 CZ ARG A 103 -16.696 -6.279 -3.361 1.00 0.00 C ATOM 1553 NH1 ARG A 103 -17.873 -5.677 -3.458 1.00 0.00 N ATOM 1554 NH2 ARG A 103 -16.560 -7.532 -3.776 1.00 0.00 N ATOM 0 H ARG A 103 -11.508 -2.354 -5.026 1.00 0.00 H new ATOM 0 HA ARG A 103 -11.798 -3.843 -2.521 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -13.969 -3.300 -4.504 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.818 -4.957 -3.955 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -13.772 -3.869 -1.548 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -14.490 -2.491 -2.358 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -16.094 -4.241 -1.348 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -16.426 -3.689 -2.978 1.00 0.00 H new ATOM 0 HE ARG A 103 -14.763 -6.123 -2.791 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -17.981 -4.714 -3.141 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -18.671 -6.177 -3.850 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -15.656 -7.998 -3.703 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -17.360 -8.029 -4.168 1.00 0.00 H new ATOM 1568 N THR A 104 -10.844 -5.828 -3.667 1.00 0.00 N ATOM 1569 CA THR A 104 -10.134 -6.924 -4.312 1.00 0.00 C ATOM 1570 C THR A 104 -11.032 -7.653 -5.305 1.00 0.00 C ATOM 1571 O THR A 104 -12.252 -7.487 -5.292 1.00 0.00 O ATOM 1572 CB THR A 104 -9.604 -7.936 -3.278 1.00 0.00 C ATOM 1573 OG1 THR A 104 -10.627 -8.244 -2.325 1.00 0.00 O ATOM 1574 CG2 THR A 104 -8.383 -7.385 -2.559 1.00 0.00 C ATOM 0 H THR A 104 -10.895 -5.899 -2.651 1.00 0.00 H new ATOM 0 HA THR A 104 -9.291 -6.484 -4.844 1.00 0.00 H new ATOM 0 HB THR A 104 -9.315 -8.845 -3.806 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.283 -8.889 -1.672 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.027 -8.117 -1.834 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.596 -7.179 -3.284 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.650 -6.463 -2.042 1.00 0.00 H new ATOM 1582 N LYS A 105 -10.423 -8.462 -6.165 1.00 0.00 N ATOM 1583 CA LYS A 105 -11.167 -9.219 -7.164 1.00 0.00 C ATOM 1584 C LYS A 105 -11.191 -10.704 -6.816 1.00 0.00 C ATOM 1585 O LYS A 105 -12.118 -11.424 -7.187 1.00 0.00 O ATOM 1586 CB LYS A 105 -10.549 -9.019 -8.550 1.00 0.00 C ATOM 1587 CG LYS A 105 -10.867 -7.669 -9.168 1.00 0.00 C ATOM 1588 CD LYS A 105 -12.112 -7.732 -10.036 1.00 0.00 C ATOM 1589 CE LYS A 105 -13.376 -7.534 -9.213 1.00 0.00 C ATOM 1590 NZ LYS A 105 -14.544 -7.181 -10.067 1.00 0.00 N ATOM 0 H LYS A 105 -9.414 -8.610 -6.190 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.193 -8.850 -7.173 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.467 -9.129 -8.476 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -10.905 -9.806 -9.214 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.010 -6.931 -8.379 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.021 -7.334 -9.768 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.057 -6.966 -10.810 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.154 -8.696 -10.544 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.595 -8.446 -8.658 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.211 -6.746 -8.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.151 -6.504 -9.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.209 -6.752 -10.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.089 -8.040 -10.282 1.00 0.00 H new ATOM 1604 N VAL A 106 -10.167 -11.155 -6.099 1.00 0.00 N ATOM 1605 CA VAL A 106 -10.071 -12.554 -5.698 1.00 0.00 C ATOM 1606 C VAL A 106 -9.521 -12.684 -4.282 1.00 0.00 C ATOM 1607 O VAL A 106 -9.248 -11.684 -3.617 1.00 0.00 O ATOM 1608 CB VAL A 106 -9.174 -13.354 -6.661 1.00 0.00 C ATOM 1609 CG1 VAL A 106 -9.765 -13.359 -8.063 1.00 0.00 C ATOM 1610 CG2 VAL A 106 -7.763 -12.785 -6.670 1.00 0.00 C ATOM 0 H VAL A 106 -9.392 -10.572 -5.784 1.00 0.00 H new ATOM 0 HA VAL A 106 -11.081 -12.962 -5.731 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.124 -14.385 -6.311 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.117 -13.929 -8.729 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -10.754 -13.817 -8.039 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.848 -12.335 -8.427 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.142 -13.362 -7.356 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.792 -11.745 -6.995 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.342 -12.840 -5.666 1.00 0.00 H new ATOM 1620 N ASP A 107 -9.361 -13.921 -3.827 1.00 0.00 N ATOM 1621 CA ASP A 107 -8.842 -14.183 -2.490 1.00 0.00 C ATOM 1622 C ASP A 107 -7.333 -14.407 -2.527 1.00 0.00 C ATOM 1623 O ASP A 107 -6.761 -14.672 -3.584 1.00 0.00 O ATOM 1624 CB ASP A 107 -9.536 -15.401 -1.879 1.00 0.00 C ATOM 1625 CG ASP A 107 -10.956 -15.571 -2.382 1.00 0.00 C ATOM 1626 OD1 ASP A 107 -11.138 -15.700 -3.611 1.00 0.00 O ATOM 1627 OD2 ASP A 107 -11.886 -15.574 -1.548 1.00 0.00 O ATOM 0 H ASP A 107 -9.583 -14.759 -4.365 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.047 -13.310 -1.871 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -8.961 -16.298 -2.112 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.547 -15.302 -0.794 1.00 0.00 H new ATOM 1632 N ASP A 108 -6.696 -14.300 -1.366 1.00 0.00 N ATOM 1633 CA ASP A 108 -5.253 -14.491 -1.266 1.00 0.00 C ATOM 1634 C ASP A 108 -4.506 -13.390 -2.012 1.00 0.00 C ATOM 1635 O ASP A 108 -3.577 -13.663 -2.774 1.00 0.00 O ATOM 1636 CB ASP A 108 -4.859 -15.860 -1.822 1.00 0.00 C ATOM 1637 CG ASP A 108 -3.504 -16.320 -1.322 1.00 0.00 C ATOM 1638 OD1 ASP A 108 -3.211 -16.112 -0.126 1.00 0.00 O ATOM 1639 OD2 ASP A 108 -2.737 -16.889 -2.126 1.00 0.00 O ATOM 0 H ASP A 108 -7.155 -14.082 -0.482 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.977 -14.442 -0.213 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.615 -16.594 -1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -4.845 -15.816 -2.911 1.00 0.00 H new ATOM 1644 N CYS A 109 -4.918 -12.147 -1.790 1.00 0.00 N ATOM 1645 CA CYS A 109 -4.288 -11.005 -2.443 1.00 0.00 C ATOM 1646 C CYS A 109 -3.198 -10.406 -1.559 1.00 0.00 C ATOM 1647 O CYS A 109 -3.430 -10.110 -0.387 1.00 0.00 O ATOM 1648 CB CYS A 109 -5.335 -9.940 -2.774 1.00 0.00 C ATOM 1649 SG CYS A 109 -6.329 -10.313 -4.238 1.00 0.00 S ATOM 0 H CYS A 109 -5.685 -11.904 -1.163 1.00 0.00 H new ATOM 0 HA CYS A 109 -3.829 -11.354 -3.368 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -5.999 -9.820 -1.918 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -4.832 -8.985 -2.923 1.00 0.00 H new ATOM 0 HG CYS A 109 -7.455 -10.851 -3.873 1.00 0.00 H new ATOM 1655 N GLN A 110 -2.010 -10.233 -2.130 1.00 0.00 N ATOM 1656 CA GLN A 110 -0.884 -9.672 -1.392 1.00 0.00 C ATOM 1657 C GLN A 110 -0.735 -8.181 -1.678 1.00 0.00 C ATOM 1658 O GLN A 110 -0.969 -7.726 -2.798 1.00 0.00 O ATOM 1659 CB GLN A 110 0.408 -10.405 -1.758 1.00 0.00 C ATOM 1660 CG GLN A 110 0.630 -11.680 -0.960 1.00 0.00 C ATOM 1661 CD GLN A 110 1.724 -12.551 -1.545 1.00 0.00 C ATOM 1662 OE1 GLN A 110 2.159 -12.344 -2.679 1.00 0.00 O ATOM 1663 NE2 GLN A 110 2.177 -13.531 -0.773 1.00 0.00 N ATOM 0 H GLN A 110 -1.803 -10.473 -3.099 1.00 0.00 H new ATOM 0 HA GLN A 110 -1.078 -9.802 -0.327 1.00 0.00 H new ATOM 0 HB2 GLN A 110 0.389 -10.649 -2.820 1.00 0.00 H new ATOM 0 HB3 GLN A 110 1.253 -9.735 -1.600 1.00 0.00 H new ATOM 0 HG2 GLN A 110 0.887 -11.421 0.067 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -0.300 -12.247 -0.923 1.00 0.00 H new ATOM 0 HE21 GLN A 110 1.788 -13.666 0.160 1.00 0.00 H new ATOM 0 HE22 GLN A 110 2.914 -14.149 -1.113 1.00 0.00 H new ATOM 1672 N PHE A 111 -0.345 -7.424 -0.658 1.00 0.00 N ATOM 1673 CA PHE A 111 -0.166 -5.984 -0.799 1.00 0.00 C ATOM 1674 C PHE A 111 0.974 -5.488 0.086 1.00 0.00 C ATOM 1675 O PHE A 111 1.516 -6.239 0.898 1.00 0.00 O ATOM 1676 CB PHE A 111 -1.460 -5.250 -0.441 1.00 0.00 C ATOM 1677 CG PHE A 111 -2.613 -5.596 -1.339 1.00 0.00 C ATOM 1678 CD1 PHE A 111 -2.625 -5.186 -2.663 1.00 0.00 C ATOM 1679 CD2 PHE A 111 -3.685 -6.332 -0.860 1.00 0.00 C ATOM 1680 CE1 PHE A 111 -3.685 -5.503 -3.491 1.00 0.00 C ATOM 1681 CE2 PHE A 111 -4.748 -6.652 -1.684 1.00 0.00 C ATOM 1682 CZ PHE A 111 -4.747 -6.238 -3.001 1.00 0.00 C ATOM 0 H PHE A 111 -0.147 -7.784 0.276 1.00 0.00 H new ATOM 0 HA PHE A 111 0.087 -5.775 -1.839 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.729 -5.485 0.589 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.284 -4.175 -0.487 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -1.797 -4.612 -3.052 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.690 -6.659 0.169 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -3.683 -5.176 -4.520 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.578 -7.225 -1.298 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.575 -6.488 -3.647 1.00 0.00 H new ATOM 1692 N VAL A 112 1.334 -4.219 -0.077 1.00 0.00 N ATOM 1693 CA VAL A 112 2.409 -3.622 0.706 1.00 0.00 C ATOM 1694 C VAL A 112 2.080 -2.181 1.081 1.00 0.00 C ATOM 1695 O VAL A 112 1.526 -1.431 0.277 1.00 0.00 O ATOM 1696 CB VAL A 112 3.744 -3.650 -0.060 1.00 0.00 C ATOM 1697 CG1 VAL A 112 3.625 -2.883 -1.368 1.00 0.00 C ATOM 1698 CG2 VAL A 112 4.864 -3.083 0.800 1.00 0.00 C ATOM 0 H VAL A 112 0.896 -3.584 -0.745 1.00 0.00 H new ATOM 0 HA VAL A 112 2.508 -4.217 1.614 1.00 0.00 H new ATOM 0 HB VAL A 112 3.986 -4.686 -0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 112 4.578 -2.914 -1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 112 2.852 -3.338 -1.988 1.00 0.00 H new ATOM 0 HG13 VAL A 112 3.359 -1.847 -1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 112 5.800 -3.111 0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.631 -2.052 1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 112 4.964 -3.679 1.707 1.00 0.00 H new ATOM 1708 N CYS A 113 2.426 -1.801 2.306 1.00 0.00 N ATOM 1709 CA CYS A 113 2.168 -0.449 2.788 1.00 0.00 C ATOM 1710 C CYS A 113 3.475 0.291 3.058 1.00 0.00 C ATOM 1711 O CYS A 113 4.368 -0.231 3.727 1.00 0.00 O ATOM 1712 CB CYS A 113 1.320 -0.492 4.060 1.00 0.00 C ATOM 1713 SG CYS A 113 0.249 0.948 4.282 1.00 0.00 S ATOM 0 H CYS A 113 2.886 -2.410 2.983 1.00 0.00 H new ATOM 0 HA CYS A 113 1.621 0.088 2.013 1.00 0.00 H new ATOM 0 HB2 CYS A 113 0.703 -1.391 4.043 1.00 0.00 H new ATOM 0 HB3 CYS A 113 1.982 -0.576 4.922 1.00 0.00 H new ATOM 0 HG CYS A 113 -0.793 0.837 3.512 1.00 0.00 H new ATOM 1719 N ILE A 114 3.579 1.507 2.534 1.00 0.00 N ATOM 1720 CA ILE A 114 4.777 2.317 2.718 1.00 0.00 C ATOM 1721 C ILE A 114 4.418 3.746 3.114 1.00 0.00 C ATOM 1722 O ILE A 114 3.622 4.404 2.447 1.00 0.00 O ATOM 1723 CB ILE A 114 5.636 2.351 1.441 1.00 0.00 C ATOM 1724 CG1 ILE A 114 6.074 0.936 1.057 1.00 0.00 C ATOM 1725 CG2 ILE A 114 6.847 3.250 1.641 1.00 0.00 C ATOM 1726 CD1 ILE A 114 6.371 0.775 -0.418 1.00 0.00 C ATOM 0 H ILE A 114 2.849 1.953 1.979 1.00 0.00 H new ATOM 0 HA ILE A 114 5.352 1.853 3.520 1.00 0.00 H new ATOM 0 HB ILE A 114 5.036 2.759 0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.963 0.672 1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 114 5.291 0.232 1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.444 3.264 0.729 1.00 0.00 H new ATOM 0 HG22 ILE A 114 6.515 4.262 1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.451 2.869 2.465 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.675 -0.252 -0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.477 1.008 -0.997 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.175 1.454 -0.703 1.00 0.00 H new ATOM 1738 N ALA A 115 5.014 4.219 4.204 1.00 0.00 N ATOM 1739 CA ALA A 115 4.761 5.571 4.687 1.00 0.00 C ATOM 1740 C ALA A 115 5.176 6.610 3.652 1.00 0.00 C ATOM 1741 O ALA A 115 6.090 6.380 2.860 1.00 0.00 O ATOM 1742 CB ALA A 115 5.493 5.808 5.999 1.00 0.00 C ATOM 0 H ALA A 115 5.675 3.686 4.769 1.00 0.00 H new ATOM 0 HA ALA A 115 3.689 5.675 4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 115 5.295 6.821 6.348 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.145 5.093 6.744 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.565 5.680 5.846 1.00 0.00 H new ATOM 1748 N GLN A 116 4.498 7.754 3.663 1.00 0.00 N ATOM 1749 CA GLN A 116 4.797 8.828 2.723 1.00 0.00 C ATOM 1750 C GLN A 116 6.229 9.322 2.898 1.00 0.00 C ATOM 1751 O GLN A 116 7.050 9.206 1.989 1.00 0.00 O ATOM 1752 CB GLN A 116 3.817 9.987 2.913 1.00 0.00 C ATOM 1753 CG GLN A 116 4.193 11.235 2.130 1.00 0.00 C ATOM 1754 CD GLN A 116 3.076 12.260 2.095 1.00 0.00 C ATOM 1755 OE1 GLN A 116 2.790 12.918 3.095 1.00 0.00 O ATOM 1756 NE2 GLN A 116 2.438 12.400 0.939 1.00 0.00 N ATOM 0 H GLN A 116 3.739 7.960 4.312 1.00 0.00 H new ATOM 0 HA GLN A 116 4.690 8.433 1.713 1.00 0.00 H new ATOM 0 HB2 GLN A 116 2.821 9.664 2.609 1.00 0.00 H new ATOM 0 HB3 GLN A 116 3.762 10.236 3.973 1.00 0.00 H new ATOM 0 HG2 GLN A 116 5.080 11.685 2.575 1.00 0.00 H new ATOM 0 HG3 GLN A 116 4.456 10.954 1.110 1.00 0.00 H new ATOM 0 HE21 GLN A 116 2.709 11.833 0.135 1.00 0.00 H new ATOM 0 HE22 GLN A 116 1.677 13.074 0.855 1.00 0.00 H new ATOM 1765 N GLN A 117 6.520 9.873 4.072 1.00 0.00 N ATOM 1766 CA GLN A 117 7.853 10.386 4.365 1.00 0.00 C ATOM 1767 C GLN A 117 8.926 9.494 3.750 1.00 0.00 C ATOM 1768 O GLN A 117 9.774 9.960 2.989 1.00 0.00 O ATOM 1769 CB GLN A 117 8.062 10.488 5.877 1.00 0.00 C ATOM 1770 CG GLN A 117 7.619 11.818 6.464 1.00 0.00 C ATOM 1771 CD GLN A 117 6.299 12.297 5.893 1.00 0.00 C ATOM 1772 OE1 GLN A 117 5.235 11.782 6.240 1.00 0.00 O ATOM 1773 NE2 GLN A 117 6.360 13.288 5.011 1.00 0.00 N ATOM 0 H GLN A 117 5.851 9.976 4.835 1.00 0.00 H new ATOM 0 HA GLN A 117 7.937 11.380 3.926 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.513 9.683 6.366 1.00 0.00 H new ATOM 0 HB3 GLN A 117 9.118 10.335 6.101 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.529 11.721 7.546 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.386 12.568 6.274 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.263 13.685 4.752 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.504 13.652 4.593 1.00 0.00 H new ATOM 1782 N ASP A 118 8.885 8.209 4.086 1.00 0.00 N ATOM 1783 CA ASP A 118 9.854 7.251 3.566 1.00 0.00 C ATOM 1784 C ASP A 118 9.761 7.155 2.047 1.00 0.00 C ATOM 1785 O ASP A 118 10.770 6.979 1.363 1.00 0.00 O ATOM 1786 CB ASP A 118 9.627 5.874 4.192 1.00 0.00 C ATOM 1787 CG ASP A 118 9.950 5.851 5.673 1.00 0.00 C ATOM 1788 OD1 ASP A 118 11.141 5.702 6.019 1.00 0.00 O ATOM 1789 OD2 ASP A 118 9.012 5.982 6.487 1.00 0.00 O ATOM 0 H ASP A 118 8.191 7.807 4.716 1.00 0.00 H new ATOM 0 HA ASP A 118 10.852 7.601 3.829 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.588 5.578 4.045 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.244 5.138 3.677 1.00 0.00 H new ATOM 1794 N TYR A 119 8.545 7.270 1.525 1.00 0.00 N ATOM 1795 CA TYR A 119 8.320 7.193 0.086 1.00 0.00 C ATOM 1796 C TYR A 119 8.981 8.365 -0.632 1.00 0.00 C ATOM 1797 O TYR A 119 9.508 8.215 -1.735 1.00 0.00 O ATOM 1798 CB TYR A 119 6.821 7.173 -0.216 1.00 0.00 C ATOM 1799 CG TYR A 119 6.484 6.585 -1.568 1.00 0.00 C ATOM 1800 CD1 TYR A 119 7.072 5.403 -1.999 1.00 0.00 C ATOM 1801 CD2 TYR A 119 5.578 7.213 -2.414 1.00 0.00 C ATOM 1802 CE1 TYR A 119 6.768 4.862 -3.234 1.00 0.00 C ATOM 1803 CE2 TYR A 119 5.266 6.679 -3.649 1.00 0.00 C ATOM 1804 CZ TYR A 119 5.864 5.503 -4.055 1.00 0.00 C ATOM 1805 OH TYR A 119 5.557 4.969 -5.285 1.00 0.00 O ATOM 0 H TYR A 119 7.700 7.417 2.077 1.00 0.00 H new ATOM 0 HA TYR A 119 8.769 6.269 -0.278 1.00 0.00 H new ATOM 0 HB2 TYR A 119 6.311 6.600 0.558 1.00 0.00 H new ATOM 0 HB3 TYR A 119 6.435 8.191 -0.165 1.00 0.00 H new ATOM 0 HD1 TYR A 119 7.779 4.898 -1.358 1.00 0.00 H new ATOM 0 HD2 TYR A 119 5.110 8.134 -2.100 1.00 0.00 H new ATOM 0 HE1 TYR A 119 7.236 3.943 -3.554 1.00 0.00 H new ATOM 0 HE2 TYR A 119 4.558 7.179 -4.293 1.00 0.00 H new ATOM 0 HH TYR A 119 5.157 4.082 -5.166 1.00 0.00 H new ATOM 1815 N TRP A 120 8.949 9.532 0.001 1.00 0.00 N ATOM 1816 CA TRP A 120 9.544 10.732 -0.577 1.00 0.00 C ATOM 1817 C TRP A 120 10.973 10.923 -0.080 1.00 0.00 C ATOM 1818 O TRP A 120 11.627 11.913 -0.409 1.00 0.00 O ATOM 1819 CB TRP A 120 8.702 11.961 -0.233 1.00 0.00 C ATOM 1820 CG TRP A 120 9.412 13.257 -0.484 1.00 0.00 C ATOM 1821 CD1 TRP A 120 9.471 13.944 -1.662 1.00 0.00 C ATOM 1822 CD2 TRP A 120 10.165 14.019 0.466 1.00 0.00 C ATOM 1823 NE1 TRP A 120 10.216 15.088 -1.503 1.00 0.00 N ATOM 1824 CE2 TRP A 120 10.652 15.157 -0.206 1.00 0.00 C ATOM 1825 CE3 TRP A 120 10.473 13.852 1.818 1.00 0.00 C ATOM 1826 CZ2 TRP A 120 11.430 16.121 0.430 1.00 0.00 C ATOM 1827 CZ3 TRP A 120 11.247 14.809 2.448 1.00 0.00 C ATOM 1828 CH2 TRP A 120 11.717 15.932 1.754 1.00 0.00 C ATOM 0 H TRP A 120 8.518 9.673 0.914 1.00 0.00 H new ATOM 0 HA TRP A 120 9.569 10.610 -1.660 1.00 0.00 H new ATOM 0 HB2 TRP A 120 7.783 11.939 -0.819 1.00 0.00 H new ATOM 0 HB3 TRP A 120 8.412 11.911 0.816 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.001 13.634 -2.584 1.00 0.00 H new ATOM 0 HE1 TRP A 120 10.412 15.774 -2.232 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.113 12.991 2.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 11.794 16.987 -0.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 11.493 14.689 3.493 1.00 0.00 H new ATOM 0 HH2 TRP A 120 12.318 16.663 2.275 1.00 0.00 H new ATOM 1839 N ARG A 121 11.451 9.971 0.714 1.00 0.00 N ATOM 1840 CA ARG A 121 12.803 10.037 1.257 1.00 0.00 C ATOM 1841 C ARG A 121 13.747 9.125 0.478 1.00 0.00 C ATOM 1842 O ARG A 121 14.952 9.370 0.418 1.00 0.00 O ATOM 1843 CB ARG A 121 12.801 9.643 2.735 1.00 0.00 C ATOM 1844 CG ARG A 121 14.192 9.430 3.311 1.00 0.00 C ATOM 1845 CD ARG A 121 14.835 10.747 3.715 1.00 0.00 C ATOM 1846 NE ARG A 121 15.758 10.584 4.835 1.00 0.00 N ATOM 1847 CZ ARG A 121 16.888 9.890 4.762 1.00 0.00 C ATOM 1848 NH1 ARG A 121 17.233 9.297 3.627 1.00 0.00 N ATOM 1849 NH2 ARG A 121 17.676 9.788 5.825 1.00 0.00 N ATOM 0 H ARG A 121 10.923 9.145 0.996 1.00 0.00 H new ATOM 0 HA ARG A 121 13.156 11.064 1.162 1.00 0.00 H new ATOM 0 HB2 ARG A 121 12.295 10.419 3.308 1.00 0.00 H new ATOM 0 HB3 ARG A 121 12.222 8.727 2.857 1.00 0.00 H new ATOM 0 HG2 ARG A 121 14.131 8.772 4.178 1.00 0.00 H new ATOM 0 HG3 ARG A 121 14.819 8.928 2.574 1.00 0.00 H new ATOM 0 HD2 ARG A 121 15.370 11.166 2.863 1.00 0.00 H new ATOM 0 HD3 ARG A 121 14.058 11.462 3.986 1.00 0.00 H new ATOM 0 HE ARG A 121 15.522 11.028 5.722 1.00 0.00 H new ATOM 0 HH11 ARG A 121 16.630 9.373 2.808 1.00 0.00 H new ATOM 0 HH12 ARG A 121 18.101 8.765 3.573 1.00 0.00 H new ATOM 0 HH21 ARG A 121 17.414 10.243 6.700 1.00 0.00 H new ATOM 0 HH22 ARG A 121 18.544 9.255 5.767 1.00 0.00 H new ATOM 1863 N ILE A 122 13.191 8.075 -0.115 1.00 0.00 N ATOM 1864 CA ILE A 122 13.983 7.128 -0.890 1.00 0.00 C ATOM 1865 C ILE A 122 14.081 7.558 -2.350 1.00 0.00 C ATOM 1866 O ILE A 122 15.175 7.778 -2.872 1.00 0.00 O ATOM 1867 CB ILE A 122 13.387 5.709 -0.824 1.00 0.00 C ATOM 1868 CG1 ILE A 122 13.301 5.236 0.628 1.00 0.00 C ATOM 1869 CG2 ILE A 122 14.223 4.745 -1.653 1.00 0.00 C ATOM 1870 CD1 ILE A 122 12.383 4.049 0.823 1.00 0.00 C ATOM 0 H ILE A 122 12.195 7.858 -0.074 1.00 0.00 H new ATOM 0 HA ILE A 122 14.980 7.116 -0.449 1.00 0.00 H new ATOM 0 HB ILE A 122 12.379 5.734 -1.238 1.00 0.00 H new ATOM 0 HG12 ILE A 122 14.300 4.974 0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 122 12.953 6.060 1.250 1.00 0.00 H new ATOM 0 HG21 ILE A 122 13.790 3.746 -1.597 1.00 0.00 H new ATOM 0 HG22 ILE A 122 14.238 5.076 -2.691 1.00 0.00 H new ATOM 0 HG23 ILE A 122 15.242 4.721 -1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 122 12.371 3.768 1.876 1.00 0.00 H new ATOM 0 HD12 ILE A 122 11.374 4.313 0.506 1.00 0.00 H new ATOM 0 HD13 ILE A 122 12.742 3.210 0.228 1.00 0.00 H new ATOM 1882 N LEU A 123 12.931 7.679 -3.004 1.00 0.00 N ATOM 1883 CA LEU A 123 12.886 8.086 -4.404 1.00 0.00 C ATOM 1884 C LEU A 123 13.586 9.427 -4.604 1.00 0.00 C ATOM 1885 O LEU A 123 14.605 9.510 -5.288 1.00 0.00 O ATOM 1886 CB LEU A 123 11.436 8.178 -4.883 1.00 0.00 C ATOM 1887 CG LEU A 123 10.736 6.848 -5.163 1.00 0.00 C ATOM 1888 CD1 LEU A 123 10.050 6.331 -3.909 1.00 0.00 C ATOM 1889 CD2 LEU A 123 9.733 7.002 -6.297 1.00 0.00 C ATOM 0 H LEU A 123 12.017 7.501 -2.587 1.00 0.00 H new ATOM 0 HA LEU A 123 13.409 7.332 -4.993 1.00 0.00 H new ATOM 0 HB2 LEU A 123 10.860 8.718 -4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 123 11.412 8.777 -5.794 1.00 0.00 H new ATOM 0 HG LEU A 123 11.489 6.120 -5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 123 9.557 5.384 -4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 123 10.791 6.181 -3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 123 9.309 7.057 -3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.244 6.046 -6.483 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.984 7.745 -6.022 1.00 0.00 H new ATOM 0 HD23 LEU A 123 10.251 7.326 -7.200 1.00 0.00 H new ATOM 1901 N ASN A 124 13.032 10.473 -4.001 1.00 0.00 N ATOM 1902 CA ASN A 124 13.604 11.810 -4.111 1.00 0.00 C ATOM 1903 C ASN A 124 15.080 11.804 -3.726 1.00 0.00 C ATOM 1904 O ASN A 124 15.643 10.759 -3.399 1.00 0.00 O ATOM 1905 CB ASN A 124 12.837 12.791 -3.222 1.00 0.00 C ATOM 1906 CG ASN A 124 11.427 13.042 -3.720 1.00 0.00 C ATOM 1907 OD1 ASN A 124 11.153 14.062 -4.353 1.00 0.00 O ATOM 1908 ND2 ASN A 124 10.524 12.111 -3.435 1.00 0.00 N ATOM 0 H ASN A 124 12.188 10.421 -3.431 1.00 0.00 H new ATOM 0 HA ASN A 124 13.519 12.129 -5.150 1.00 0.00 H new ATOM 0 HB2 ASN A 124 12.796 12.400 -2.205 1.00 0.00 H new ATOM 0 HB3 ASN A 124 13.378 13.736 -3.178 1.00 0.00 H new ATOM 0 HD21 ASN A 124 9.559 12.226 -3.743 1.00 0.00 H new ATOM 0 HD22 ASN A 124 10.796 11.281 -2.908 1.00 0.00 H new ATOM 1915 N HIS A 125 15.701 12.979 -3.766 1.00 0.00 N ATOM 1916 CA HIS A 125 17.112 13.109 -3.419 1.00 0.00 C ATOM 1917 C HIS A 125 17.284 13.910 -2.132 1.00 0.00 C ATOM 1918 O HIS A 125 18.081 14.846 -2.073 1.00 0.00 O ATOM 1919 CB HIS A 125 17.879 13.782 -4.558 1.00 0.00 C ATOM 1920 CG HIS A 125 18.087 12.894 -5.747 1.00 0.00 C ATOM 1921 ND1 HIS A 125 18.977 11.842 -5.752 1.00 0.00 N ATOM 1922 CD2 HIS A 125 17.513 12.906 -6.972 1.00 0.00 C ATOM 1923 CE1 HIS A 125 18.943 11.245 -6.931 1.00 0.00 C ATOM 1924 NE2 HIS A 125 18.062 11.872 -7.689 1.00 0.00 N ATOM 0 H HIS A 125 15.250 13.854 -4.035 1.00 0.00 H new ATOM 0 HA HIS A 125 17.515 12.109 -3.260 1.00 0.00 H new ATOM 0 HB2 HIS A 125 17.338 14.675 -4.872 1.00 0.00 H new ATOM 0 HB3 HIS A 125 18.849 14.112 -4.187 1.00 0.00 H new ATOM 0 HD2 HIS A 125 16.763 13.600 -7.321 1.00 0.00 H new ATOM 0 HE1 HIS A 125 19.535 10.390 -7.224 1.00 0.00 H new ATOM 0 HE2 HIS A 125 17.827 11.628 -8.651 1.00 0.00 H new