USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 970 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 89 TYR OH : rot 167:sc= -1.11 USER MOD Set 1.2: A 99 TYR OH : rot 150:sc= 0.116 USER MOD Set 2.1: A 43 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 52 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.33) USER MOD Single : A 10 ASN : amide:sc= -1.12 K(o=-1.1,f=0) USER MOD Single : A 12 TYR OH : rot -169:sc= 1.17 USER MOD Single : A 14 TYR OH : rot -30:sc= 0.857 USER MOD Single : A 17 ASN : amide:sc= -0.269 X(o=-0.27,f=-0.26) USER MOD Single : A 19 ASN : amide:sc= -0.937 X(o=-0.94,f=-0.61) USER MOD Single : A 23 THR OG1 : rot 56:sc= 0.614 USER MOD Single : A 29 THR OG1 : rot 71:sc= 1.23 USER MOD Single : A 32 SER OG : rot 97:sc= 1.25 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.692 K(o=0.69,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 139:sc= 0.149 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot -164:sc= 1.05 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 176:sc= 1.47 USER MOD Single : A 65 THR OG1 : rot 101:sc= -0.0806 USER MOD Single : A 71 ASN : amide:sc= -1.84! K(o=-1.8!,f=-0.0069) USER MOD Single : A 73 ASN : amide:sc= -1.73! C(o=-1.7!,f=-3.5!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HE2:sc= 0.748 K(o=0.75,f=-3.4!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.028) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 1.18 K(o=1.2,f=-0.00029) USER MOD Single : A 97 LYS NZ :NH3+ 152:sc= 1.27 (180deg=1.15) USER MOD Single : A 98 TYR OH : rot 130:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 209 MET CE :methyl 137:sc= -0.555 (180deg=-2.73!) USER MOD Single : B 213 SER OG : rot 113:sc= 1.25 USER MOD Single : B 215 SER OG : rot -90:sc= 1.28 USER MOD Single : C 317 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 128 N ASN A 10 3.666 3.866 -6.947 1.00 0.00 N ATOM 129 CA ASN A 10 4.844 4.735 -6.874 1.00 0.00 C ATOM 130 C ASN A 10 4.409 6.133 -6.440 1.00 0.00 C ATOM 131 O ASN A 10 3.910 6.930 -7.253 1.00 0.00 O ATOM 132 CB ASN A 10 5.617 4.821 -8.211 1.00 0.00 C ATOM 133 CG ASN A 10 6.262 3.512 -8.668 1.00 0.00 C ATOM 134 OD1 ASN A 10 6.417 3.277 -9.866 1.00 0.00 O ATOM 135 ND2 ASN A 10 6.645 2.664 -7.743 1.00 0.00 N ATOM 0 HA ASN A 10 5.526 4.297 -6.145 1.00 0.00 H new ATOM 0 HB2 ASN A 10 4.933 5.162 -8.988 1.00 0.00 H new ATOM 0 HB3 ASN A 10 6.395 5.578 -8.116 1.00 0.00 H new ATOM 0 HD21 ASN A 10 7.084 1.783 -8.009 1.00 0.00 H new ATOM 0 HD22 ASN A 10 6.504 2.886 -6.758 1.00 0.00 H new ATOM 142 N ALA A 11 4.543 6.402 -5.151 1.00 0.00 N ATOM 143 CA ALA A 11 4.117 7.672 -4.564 1.00 0.00 C ATOM 144 C ALA A 11 5.158 8.772 -4.732 1.00 0.00 C ATOM 145 O ALA A 11 4.888 9.932 -4.453 1.00 0.00 O ATOM 146 CB ALA A 11 3.773 7.481 -3.093 1.00 0.00 C ATOM 0 H ALA A 11 4.949 5.750 -4.479 1.00 0.00 H new ATOM 0 HA ALA A 11 3.227 7.995 -5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.457 8.433 -2.667 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.965 6.756 -3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.650 7.117 -2.558 1.00 0.00 H new ATOM 152 N TYR A 12 6.335 8.404 -5.171 1.00 0.00 N ATOM 153 CA TYR A 12 7.379 9.373 -5.384 1.00 0.00 C ATOM 154 C TYR A 12 7.337 9.895 -6.785 1.00 0.00 C ATOM 155 O TYR A 12 7.302 9.131 -7.754 1.00 0.00 O ATOM 156 CB TYR A 12 8.767 8.811 -5.064 1.00 0.00 C ATOM 157 CG TYR A 12 9.106 8.803 -3.602 1.00 0.00 C ATOM 158 CD1 TYR A 12 8.591 7.846 -2.737 1.00 0.00 C ATOM 159 CD2 TYR A 12 9.947 9.772 -3.083 1.00 0.00 C ATOM 160 CE1 TYR A 12 8.907 7.864 -1.392 1.00 0.00 C ATOM 161 CE2 TYR A 12 10.269 9.794 -1.754 1.00 0.00 C ATOM 162 CZ TYR A 12 9.745 8.845 -0.908 1.00 0.00 C ATOM 163 OH TYR A 12 10.063 8.880 0.424 1.00 0.00 O ATOM 0 H TYR A 12 6.594 7.441 -5.388 1.00 0.00 H new ATOM 0 HA TYR A 12 7.196 10.196 -4.693 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.831 7.792 -5.446 1.00 0.00 H new ATOM 0 HB3 TYR A 12 9.516 9.398 -5.596 1.00 0.00 H new ATOM 0 HD1 TYR A 12 7.935 7.078 -3.121 1.00 0.00 H new ATOM 0 HD2 TYR A 12 10.357 10.525 -3.740 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.501 7.116 -0.727 1.00 0.00 H new ATOM 0 HE2 TYR A 12 10.933 10.554 -1.370 1.00 0.00 H new ATOM 0 HH TYR A 12 10.516 9.724 0.630 1.00 0.00 H new ATOM 173 N ILE A 13 7.305 11.168 -6.898 1.00 0.00 N ATOM 174 CA ILE A 13 7.328 11.791 -8.160 1.00 0.00 C ATOM 175 C ILE A 13 8.685 12.383 -8.432 1.00 0.00 C ATOM 176 O ILE A 13 9.307 13.018 -7.565 1.00 0.00 O ATOM 177 CB ILE A 13 6.194 12.831 -8.371 1.00 0.00 C ATOM 178 CG1 ILE A 13 6.158 13.886 -7.249 1.00 0.00 C ATOM 179 CG2 ILE A 13 4.857 12.120 -8.517 1.00 0.00 C ATOM 180 CD1 ILE A 13 5.076 14.940 -7.408 1.00 0.00 C ATOM 0 H ILE A 13 7.262 11.812 -6.108 1.00 0.00 H new ATOM 0 HA ILE A 13 7.132 11.008 -8.892 1.00 0.00 H new ATOM 0 HB ILE A 13 6.401 13.374 -9.293 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.015 13.378 -6.295 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.127 14.383 -7.204 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.067 12.857 -8.665 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.893 11.450 -9.376 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.651 11.543 -7.615 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.125 15.640 -6.574 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.227 15.479 -8.344 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.098 14.459 -7.421 1.00 0.00 H new ATOM 192 N TYR A 14 9.152 12.103 -9.597 1.00 0.00 N ATOM 193 CA TYR A 14 10.401 12.567 -10.102 1.00 0.00 C ATOM 194 C TYR A 14 10.225 13.966 -10.599 1.00 0.00 C ATOM 195 O TYR A 14 9.318 14.229 -11.367 1.00 0.00 O ATOM 196 CB TYR A 14 10.845 11.642 -11.253 1.00 0.00 C ATOM 197 CG TYR A 14 11.930 12.198 -12.158 1.00 0.00 C ATOM 198 CD1 TYR A 14 13.265 12.196 -11.782 1.00 0.00 C ATOM 199 CD2 TYR A 14 11.599 12.721 -13.407 1.00 0.00 C ATOM 200 CE1 TYR A 14 14.237 12.697 -12.623 1.00 0.00 C ATOM 201 CE2 TYR A 14 12.557 13.224 -14.250 1.00 0.00 C ATOM 202 CZ TYR A 14 13.880 13.211 -13.855 1.00 0.00 C ATOM 203 OH TYR A 14 14.855 13.707 -14.697 1.00 0.00 O ATOM 0 H TYR A 14 8.649 11.514 -10.260 1.00 0.00 H new ATOM 0 HA TYR A 14 11.162 12.556 -9.322 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.198 10.704 -10.826 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.973 11.406 -11.863 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.547 11.797 -10.819 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.565 12.730 -13.718 1.00 0.00 H new ATOM 0 HE1 TYR A 14 15.273 12.688 -12.320 1.00 0.00 H new ATOM 0 HE2 TYR A 14 12.279 13.626 -15.213 1.00 0.00 H new ATOM 0 HH TYR A 14 15.596 14.065 -14.165 1.00 0.00 H new ATOM 213 N ILE A 15 11.047 14.851 -10.143 1.00 0.00 N ATOM 214 CA ILE A 15 11.021 16.198 -10.609 1.00 0.00 C ATOM 215 C ILE A 15 12.327 16.417 -11.345 1.00 0.00 C ATOM 216 O ILE A 15 13.401 16.434 -10.743 1.00 0.00 O ATOM 217 CB ILE A 15 10.898 17.220 -9.455 1.00 0.00 C ATOM 218 CG1 ILE A 15 9.779 16.808 -8.484 1.00 0.00 C ATOM 219 CG2 ILE A 15 10.593 18.606 -10.032 1.00 0.00 C ATOM 220 CD1 ILE A 15 9.663 17.701 -7.266 1.00 0.00 C ATOM 0 H ILE A 15 11.757 14.661 -9.436 1.00 0.00 H new ATOM 0 HA ILE A 15 10.151 16.350 -11.247 1.00 0.00 H new ATOM 0 HB ILE A 15 11.841 17.247 -8.908 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.829 16.813 -9.018 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.955 15.784 -8.156 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.506 19.327 -9.219 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.400 18.908 -10.700 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.656 18.571 -10.588 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.852 17.346 -6.630 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.599 17.678 -6.707 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.455 18.723 -7.583 1.00 0.00 H new ATOM 232 N GLY A 16 12.241 16.533 -12.620 1.00 0.00 N ATOM 233 CA GLY A 16 13.409 16.652 -13.419 1.00 0.00 C ATOM 234 C GLY A 16 13.561 18.008 -14.014 1.00 0.00 C ATOM 235 O GLY A 16 12.572 18.763 -14.126 1.00 0.00 O ATOM 0 H GLY A 16 11.363 16.548 -13.139 1.00 0.00 H new ATOM 0 HA2 GLY A 16 14.285 16.426 -12.811 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.375 15.911 -14.217 1.00 0.00 H new ATOM 239 N ASN A 17 14.793 18.309 -14.385 1.00 0.00 N ATOM 240 CA ASN A 17 15.204 19.560 -15.007 1.00 0.00 C ATOM 241 C ASN A 17 14.972 20.730 -14.082 1.00 0.00 C ATOM 242 O ASN A 17 13.909 21.343 -14.116 1.00 0.00 O ATOM 243 CB ASN A 17 14.479 19.852 -16.325 1.00 0.00 C ATOM 244 CG ASN A 17 15.103 21.048 -17.045 1.00 0.00 C ATOM 245 OD1 ASN A 17 16.320 21.164 -17.128 1.00 0.00 O ATOM 246 ND2 ASN A 17 14.301 22.004 -17.432 1.00 0.00 N ATOM 0 H ASN A 17 15.570 17.661 -14.256 1.00 0.00 H new ATOM 0 HA ASN A 17 16.266 19.435 -15.217 1.00 0.00 H new ATOM 0 HB2 ASN A 17 14.521 18.974 -16.969 1.00 0.00 H new ATOM 0 HB3 ASN A 17 13.426 20.052 -16.127 1.00 0.00 H new ATOM 0 HD21 ASN A 17 14.685 22.869 -17.813 1.00 0.00 H new ATOM 0 HD22 ASN A 17 13.291 21.885 -17.354 1.00 0.00 H new ATOM 253 N LEU A 18 15.900 20.998 -13.222 1.00 0.00 N ATOM 254 CA LEU A 18 15.821 22.164 -12.376 1.00 0.00 C ATOM 255 C LEU A 18 17.017 23.041 -12.585 1.00 0.00 C ATOM 256 O LEU A 18 18.027 22.607 -13.129 1.00 0.00 O ATOM 257 CB LEU A 18 15.632 21.856 -10.869 1.00 0.00 C ATOM 258 CG LEU A 18 14.269 21.304 -10.418 1.00 0.00 C ATOM 259 CD1 LEU A 18 14.091 19.850 -10.787 1.00 0.00 C ATOM 260 CD2 LEU A 18 14.064 21.517 -8.931 1.00 0.00 C ATOM 0 H LEU A 18 16.732 20.425 -13.080 1.00 0.00 H new ATOM 0 HA LEU A 18 14.914 22.686 -12.682 1.00 0.00 H new ATOM 0 HB2 LEU A 18 16.398 21.139 -10.574 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.823 22.774 -10.313 1.00 0.00 H new ATOM 0 HG LEU A 18 13.503 21.864 -10.954 1.00 0.00 H new ATOM 0 HD11 LEU A 18 13.114 19.506 -10.448 1.00 0.00 H new ATOM 0 HD12 LEU A 18 14.160 19.738 -11.869 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.871 19.256 -10.311 1.00 0.00 H new ATOM 0 HD21 LEU A 18 13.093 21.118 -8.637 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.850 21.003 -8.378 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.101 22.583 -8.708 1.00 0.00 H new ATOM 272 N ASN A 19 16.887 24.255 -12.161 1.00 0.00 N ATOM 273 CA ASN A 19 17.907 25.263 -12.302 1.00 0.00 C ATOM 274 C ASN A 19 18.609 25.344 -10.955 1.00 0.00 C ATOM 275 O ASN A 19 17.947 25.210 -9.925 1.00 0.00 O ATOM 276 CB ASN A 19 17.198 26.566 -12.718 1.00 0.00 C ATOM 277 CG ASN A 19 18.056 27.718 -13.126 1.00 0.00 C ATOM 278 OD1 ASN A 19 19.200 27.553 -13.529 1.00 0.00 O ATOM 279 ND2 ASN A 19 17.435 28.877 -13.169 1.00 0.00 N ATOM 0 H ASN A 19 16.046 24.591 -11.692 1.00 0.00 H new ATOM 0 HA ASN A 19 18.659 25.051 -13.062 1.00 0.00 H new ATOM 0 HB2 ASN A 19 16.529 26.335 -13.547 1.00 0.00 H new ATOM 0 HB3 ASN A 19 16.574 26.890 -11.885 1.00 0.00 H new ATOM 0 HD21 ASN A 19 17.908 29.695 -13.553 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.480 28.957 -12.819 1.00 0.00 H new ATOM 286 N ARG A 20 19.915 25.522 -10.972 1.00 0.00 N ATOM 287 CA ARG A 20 20.806 25.394 -9.790 1.00 0.00 C ATOM 288 C ARG A 20 20.312 26.158 -8.533 1.00 0.00 C ATOM 289 O ARG A 20 20.404 25.650 -7.417 1.00 0.00 O ATOM 290 CB ARG A 20 22.208 25.870 -10.158 1.00 0.00 C ATOM 291 CG ARG A 20 23.320 25.359 -9.248 1.00 0.00 C ATOM 292 CD ARG A 20 23.623 23.897 -9.529 1.00 0.00 C ATOM 293 NE ARG A 20 23.992 23.683 -10.934 1.00 0.00 N ATOM 294 CZ ARG A 20 24.314 22.514 -11.507 1.00 0.00 C ATOM 295 NH1 ARG A 20 24.368 21.396 -10.802 1.00 0.00 N1+ ATOM 296 NH2 ARG A 20 24.586 22.482 -12.796 1.00 0.00 N ATOM 0 H ARG A 20 20.420 25.767 -11.824 1.00 0.00 H new ATOM 0 HA ARG A 20 20.805 24.338 -9.521 1.00 0.00 H new ATOM 0 HB2 ARG A 20 22.424 25.560 -11.180 1.00 0.00 H new ATOM 0 HB3 ARG A 20 22.221 26.960 -10.146 1.00 0.00 H new ATOM 0 HG2 ARG A 20 24.220 25.956 -9.397 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.026 25.480 -8.205 1.00 0.00 H new ATOM 0 HD2 ARG A 20 24.435 23.562 -8.884 1.00 0.00 H new ATOM 0 HD3 ARG A 20 22.751 23.290 -9.285 1.00 0.00 H new ATOM 0 HE ARG A 20 24.005 24.507 -11.535 1.00 0.00 H new ATOM 0 HH11 ARG A 20 24.163 21.413 -9.803 1.00 0.00 H new ATOM 0 HH12 ARG A 20 24.615 20.517 -11.257 1.00 0.00 H new ATOM 0 HH21 ARG A 20 24.550 23.340 -13.346 1.00 0.00 H new ATOM 0 HH22 ARG A 20 24.832 21.599 -13.243 1.00 0.00 H new ATOM 310 N GLU A 21 19.802 27.353 -8.728 1.00 0.00 N ATOM 311 CA GLU A 21 19.314 28.201 -7.634 1.00 0.00 C ATOM 312 C GLU A 21 18.037 27.673 -6.941 1.00 0.00 C ATOM 313 O GLU A 21 17.677 28.137 -5.848 1.00 0.00 O ATOM 314 CB GLU A 21 19.148 29.687 -8.068 1.00 0.00 C ATOM 315 CG GLU A 21 18.570 29.918 -9.462 1.00 0.00 C ATOM 316 CD GLU A 21 19.612 29.824 -10.563 1.00 0.00 C ATOM 317 OE1 GLU A 21 19.975 28.720 -10.968 1.00 0.00 O1- ATOM 318 OE2 GLU A 21 20.101 30.868 -11.027 1.00 0.00 O ATOM 0 H GLU A 21 19.708 27.778 -9.651 1.00 0.00 H new ATOM 0 HA GLU A 21 20.100 28.155 -6.880 1.00 0.00 H new ATOM 0 HB2 GLU A 21 18.506 30.187 -7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.123 30.171 -8.016 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.785 29.185 -9.649 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.102 30.902 -9.496 1.00 0.00 H new ATOM 325 N LEU A 22 17.363 26.731 -7.560 1.00 0.00 N ATOM 326 CA LEU A 22 16.161 26.146 -6.989 1.00 0.00 C ATOM 327 C LEU A 22 16.501 25.123 -5.897 1.00 0.00 C ATOM 328 O LEU A 22 17.213 24.134 -6.132 1.00 0.00 O ATOM 329 CB LEU A 22 15.304 25.506 -8.088 1.00 0.00 C ATOM 330 CG LEU A 22 14.862 26.459 -9.204 1.00 0.00 C ATOM 331 CD1 LEU A 22 14.065 25.753 -10.259 1.00 0.00 C ATOM 332 CD2 LEU A 22 14.058 27.590 -8.645 1.00 0.00 C ATOM 0 H LEU A 22 17.626 26.347 -8.468 1.00 0.00 H new ATOM 0 HA LEU A 22 15.586 26.946 -6.522 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.866 24.685 -8.534 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.416 25.072 -7.629 1.00 0.00 H new ATOM 0 HG LEU A 22 15.768 26.850 -9.666 1.00 0.00 H new ATOM 0 HD11 LEU A 22 13.772 26.465 -11.031 1.00 0.00 H new ATOM 0 HD12 LEU A 22 14.670 24.963 -10.705 1.00 0.00 H new ATOM 0 HD13 LEU A 22 13.173 25.317 -9.810 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.754 28.255 -9.454 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.172 27.196 -8.147 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.661 28.145 -7.926 1.00 0.00 H new ATOM 344 N THR A 23 16.030 25.407 -4.713 1.00 0.00 N ATOM 345 CA THR A 23 16.201 24.554 -3.549 1.00 0.00 C ATOM 346 C THR A 23 14.833 23.940 -3.131 1.00 0.00 C ATOM 347 O THR A 23 13.794 24.331 -3.656 1.00 0.00 O ATOM 348 CB THR A 23 16.870 25.362 -2.378 1.00 0.00 C ATOM 349 OG1 THR A 23 16.912 24.628 -1.148 1.00 0.00 O ATOM 350 CG2 THR A 23 16.152 26.654 -2.143 1.00 0.00 C ATOM 0 H THR A 23 15.502 26.258 -4.517 1.00 0.00 H new ATOM 0 HA THR A 23 16.868 23.728 -3.797 1.00 0.00 H new ATOM 0 HB THR A 23 17.895 25.553 -2.695 1.00 0.00 H new ATOM 0 HG1 THR A 23 17.369 23.773 -1.293 1.00 0.00 H new ATOM 0 HG21 THR A 23 16.633 27.195 -1.328 1.00 0.00 H new ATOM 0 HG22 THR A 23 16.185 27.259 -3.049 1.00 0.00 H new ATOM 0 HG23 THR A 23 15.114 26.451 -1.880 1.00 0.00 H new ATOM 358 N GLU A 24 14.860 23.004 -2.178 1.00 0.00 N ATOM 359 CA GLU A 24 13.683 22.284 -1.656 1.00 0.00 C ATOM 360 C GLU A 24 12.559 23.246 -1.257 1.00 0.00 C ATOM 361 O GLU A 24 11.391 22.991 -1.517 1.00 0.00 O ATOM 362 CB GLU A 24 14.037 21.443 -0.405 1.00 0.00 C ATOM 363 CG GLU A 24 15.357 20.681 -0.450 1.00 0.00 C ATOM 364 CD GLU A 24 16.551 21.596 -0.204 1.00 0.00 C ATOM 365 OE1 GLU A 24 16.801 21.978 0.939 1.00 0.00 O1- ATOM 366 OE2 GLU A 24 17.192 22.019 -1.186 1.00 0.00 O ATOM 0 H GLU A 24 15.729 22.713 -1.730 1.00 0.00 H new ATOM 0 HA GLU A 24 13.351 21.635 -2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.056 22.107 0.459 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.234 20.725 -0.238 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.345 19.890 0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 24 15.464 20.198 -1.421 1.00 0.00 H new ATOM 373 N GLY A 25 12.938 24.364 -0.644 1.00 0.00 N ATOM 374 CA GLY A 25 11.963 25.343 -0.170 1.00 0.00 C ATOM 375 C GLY A 25 11.188 25.990 -1.297 1.00 0.00 C ATOM 376 O GLY A 25 10.012 26.330 -1.143 1.00 0.00 O ATOM 0 H GLY A 25 13.910 24.615 -0.464 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.266 24.855 0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.478 26.115 0.401 1.00 0.00 H new ATOM 380 N ASP A 26 11.832 26.118 -2.429 1.00 0.00 N ATOM 381 CA ASP A 26 11.252 26.719 -3.610 1.00 0.00 C ATOM 382 C ASP A 26 10.213 25.767 -4.164 1.00 0.00 C ATOM 383 O ASP A 26 9.060 26.134 -4.433 1.00 0.00 O ATOM 384 CB ASP A 26 12.368 26.937 -4.620 1.00 0.00 C ATOM 385 CG ASP A 26 11.906 27.625 -5.835 1.00 0.00 C ATOM 386 OD1 ASP A 26 11.856 28.875 -5.815 1.00 0.00 O1- ATOM 387 OD2 ASP A 26 11.618 26.952 -6.818 1.00 0.00 O ATOM 0 H ASP A 26 12.793 25.802 -2.561 1.00 0.00 H new ATOM 0 HA ASP A 26 10.777 27.673 -3.384 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.163 27.521 -4.157 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.798 25.974 -4.894 1.00 0.00 H new ATOM 392 N ILE A 27 10.621 24.522 -4.221 1.00 0.00 N ATOM 393 CA ILE A 27 9.797 23.418 -4.661 1.00 0.00 C ATOM 394 C ILE A 27 8.552 23.301 -3.762 1.00 0.00 C ATOM 395 O ILE A 27 7.432 23.110 -4.251 1.00 0.00 O ATOM 396 CB ILE A 27 10.634 22.116 -4.614 1.00 0.00 C ATOM 397 CG1 ILE A 27 11.881 22.298 -5.488 1.00 0.00 C ATOM 398 CG2 ILE A 27 9.814 20.918 -5.091 1.00 0.00 C ATOM 399 CD1 ILE A 27 12.929 21.231 -5.319 1.00 0.00 C ATOM 0 H ILE A 27 11.564 24.239 -3.955 1.00 0.00 H new ATOM 0 HA ILE A 27 9.461 23.589 -5.684 1.00 0.00 H new ATOM 0 HB ILE A 27 10.932 21.918 -3.584 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.574 22.324 -6.534 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.328 23.266 -5.262 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.426 20.017 -5.048 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.942 20.795 -4.449 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.488 21.086 -6.117 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.773 21.442 -5.976 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.270 21.216 -4.284 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.504 20.260 -5.575 1.00 0.00 H new ATOM 411 N LEU A 28 8.747 23.457 -2.451 1.00 0.00 N ATOM 412 CA LEU A 28 7.648 23.442 -1.497 1.00 0.00 C ATOM 413 C LEU A 28 6.689 24.577 -1.774 1.00 0.00 C ATOM 414 O LEU A 28 5.480 24.387 -1.752 1.00 0.00 O ATOM 415 CB LEU A 28 8.154 23.546 -0.062 1.00 0.00 C ATOM 416 CG LEU A 28 8.987 22.381 0.445 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.487 22.672 1.838 1.00 0.00 C ATOM 418 CD2 LEU A 28 8.165 21.108 0.441 1.00 0.00 C ATOM 0 H LEU A 28 9.665 23.596 -2.028 1.00 0.00 H new ATOM 0 HA LEU A 28 7.129 22.491 -1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.749 24.455 0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.293 23.663 0.596 1.00 0.00 H new ATOM 0 HG LEU A 28 9.843 22.246 -0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.083 21.832 2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.101 23.572 1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.638 22.823 2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.774 20.281 0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.297 21.233 1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.832 20.893 -0.574 1.00 0.00 H new ATOM 430 N THR A 29 7.233 25.734 -2.074 1.00 0.00 N ATOM 431 CA THR A 29 6.447 26.915 -2.364 1.00 0.00 C ATOM 432 C THR A 29 5.502 26.661 -3.564 1.00 0.00 C ATOM 433 O THR A 29 4.362 27.126 -3.583 1.00 0.00 O ATOM 434 CB THR A 29 7.376 28.130 -2.640 1.00 0.00 C ATOM 435 OG1 THR A 29 8.231 28.350 -1.492 1.00 0.00 O ATOM 436 CG2 THR A 29 6.568 29.391 -2.908 1.00 0.00 C ATOM 0 H THR A 29 8.241 25.885 -2.124 1.00 0.00 H new ATOM 0 HA THR A 29 5.833 27.144 -1.493 1.00 0.00 H new ATOM 0 HB THR A 29 7.975 27.909 -3.523 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.897 27.633 -1.438 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.245 30.224 -3.098 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.930 29.236 -3.778 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.949 29.618 -2.040 1.00 0.00 H new ATOM 444 N VAL A 30 5.971 25.898 -4.532 1.00 0.00 N ATOM 445 CA VAL A 30 5.163 25.556 -5.686 1.00 0.00 C ATOM 446 C VAL A 30 4.180 24.400 -5.374 1.00 0.00 C ATOM 447 O VAL A 30 2.959 24.550 -5.518 1.00 0.00 O ATOM 448 CB VAL A 30 6.046 25.171 -6.911 1.00 0.00 C ATOM 449 CG1 VAL A 30 5.191 24.855 -8.135 1.00 0.00 C ATOM 450 CG2 VAL A 30 7.026 26.279 -7.234 1.00 0.00 C ATOM 0 H VAL A 30 6.911 25.502 -4.542 1.00 0.00 H new ATOM 0 HA VAL A 30 4.587 26.447 -5.935 1.00 0.00 H new ATOM 0 HB VAL A 30 6.604 24.273 -6.644 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.837 24.590 -8.972 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.528 24.019 -7.910 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.596 25.729 -8.399 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.632 25.990 -8.092 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.479 27.192 -7.468 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.673 26.454 -6.375 1.00 0.00 H new ATOM 460 N PHE A 31 4.719 23.291 -4.905 1.00 0.00 N ATOM 461 CA PHE A 31 3.963 22.043 -4.723 1.00 0.00 C ATOM 462 C PHE A 31 2.948 22.045 -3.561 1.00 0.00 C ATOM 463 O PHE A 31 1.969 21.303 -3.615 1.00 0.00 O ATOM 464 CB PHE A 31 4.912 20.834 -4.609 1.00 0.00 C ATOM 465 CG PHE A 31 5.545 20.389 -5.917 1.00 0.00 C ATOM 466 CD1 PHE A 31 6.408 21.215 -6.620 1.00 0.00 C ATOM 467 CD2 PHE A 31 5.278 19.124 -6.430 1.00 0.00 C ATOM 468 CE1 PHE A 31 6.986 20.798 -7.805 1.00 0.00 C ATOM 469 CE2 PHE A 31 5.854 18.702 -7.614 1.00 0.00 C ATOM 470 CZ PHE A 31 6.709 19.539 -8.303 1.00 0.00 C ATOM 0 H PHE A 31 5.700 23.219 -4.634 1.00 0.00 H new ATOM 0 HA PHE A 31 3.357 21.959 -5.625 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.706 21.080 -3.904 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.359 19.995 -4.187 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.632 22.199 -6.236 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.612 18.462 -5.896 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.654 21.456 -8.341 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.635 17.717 -8.000 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.160 19.211 -9.228 1.00 0.00 H new ATOM 480 N SER A 32 3.144 22.887 -2.545 1.00 0.00 N ATOM 481 CA SER A 32 2.241 22.909 -1.357 1.00 0.00 C ATOM 482 C SER A 32 0.788 23.326 -1.682 1.00 0.00 C ATOM 483 O SER A 32 -0.094 23.269 -0.823 1.00 0.00 O ATOM 484 CB SER A 32 2.810 23.765 -0.224 1.00 0.00 C ATOM 485 OG SER A 32 4.078 23.286 0.188 1.00 0.00 O ATOM 0 H SER A 32 3.907 23.562 -2.505 1.00 0.00 H new ATOM 0 HA SER A 32 2.194 21.874 -1.019 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.898 24.800 -0.555 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.123 23.758 0.622 1.00 0.00 H new ATOM 0 HG SER A 32 4.783 23.804 -0.254 1.00 0.00 H new ATOM 491 N GLU A 33 0.556 23.773 -2.894 1.00 0.00 N ATOM 492 CA GLU A 33 -0.767 24.169 -3.321 1.00 0.00 C ATOM 493 C GLU A 33 -1.680 22.940 -3.515 1.00 0.00 C ATOM 494 O GLU A 33 -2.884 22.991 -3.247 1.00 0.00 O ATOM 495 CB GLU A 33 -0.675 24.927 -4.623 1.00 0.00 C ATOM 496 CG GLU A 33 -2.010 25.394 -5.153 1.00 0.00 C ATOM 497 CD GLU A 33 -1.906 25.839 -6.561 1.00 0.00 C ATOM 498 OE1 GLU A 33 -1.619 24.984 -7.423 1.00 0.00 O ATOM 499 OE2 GLU A 33 -2.125 27.010 -6.847 1.00 0.00 O1- ATOM 0 H GLU A 33 1.276 23.872 -3.610 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.197 24.804 -2.546 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.027 25.792 -4.484 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.201 24.291 -5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.736 24.585 -5.078 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.381 26.213 -4.537 1.00 0.00 H new ATOM 506 N TYR A 34 -1.097 21.833 -3.948 1.00 0.00 N ATOM 507 CA TYR A 34 -1.877 20.637 -4.268 1.00 0.00 C ATOM 508 C TYR A 34 -1.950 19.687 -3.090 1.00 0.00 C ATOM 509 O TYR A 34 -2.550 18.616 -3.172 1.00 0.00 O ATOM 510 CB TYR A 34 -1.299 19.919 -5.492 1.00 0.00 C ATOM 511 CG TYR A 34 -1.324 20.746 -6.756 1.00 0.00 C ATOM 512 CD1 TYR A 34 -2.494 20.897 -7.478 1.00 0.00 C ATOM 513 CD2 TYR A 34 -0.181 21.378 -7.225 1.00 0.00 C ATOM 514 CE1 TYR A 34 -2.534 21.647 -8.630 1.00 0.00 C ATOM 515 CE2 TYR A 34 -0.213 22.136 -8.378 1.00 0.00 C ATOM 516 CZ TYR A 34 -1.391 22.264 -9.079 1.00 0.00 C ATOM 517 OH TYR A 34 -1.433 23.024 -10.223 1.00 0.00 O ATOM 0 H TYR A 34 -0.091 21.733 -4.087 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.891 20.964 -4.500 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.270 19.630 -5.279 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.860 19.000 -5.660 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.396 20.415 -7.130 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.746 21.275 -6.680 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.458 21.751 -9.179 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.683 22.627 -8.729 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.543 23.392 -10.404 1.00 0.00 H new ATOM 527 N GLY A 35 -1.357 20.073 -2.016 1.00 0.00 N ATOM 528 CA GLY A 35 -1.346 19.260 -0.854 1.00 0.00 C ATOM 529 C GLY A 35 -0.082 19.469 -0.126 1.00 0.00 C ATOM 530 O GLY A 35 0.661 20.390 -0.456 1.00 0.00 O ATOM 0 H GLY A 35 -0.866 20.962 -1.919 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.193 19.508 -0.214 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.451 18.211 -1.129 1.00 0.00 H new ATOM 534 N VAL A 36 0.198 18.639 0.811 1.00 0.00 N ATOM 535 CA VAL A 36 1.377 18.804 1.594 1.00 0.00 C ATOM 536 C VAL A 36 2.446 17.825 1.133 1.00 0.00 C ATOM 537 O VAL A 36 2.218 16.604 1.121 1.00 0.00 O ATOM 538 CB VAL A 36 1.099 18.596 3.106 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.334 18.939 3.929 1.00 0.00 C ATOM 540 CG2 VAL A 36 -0.091 19.424 3.561 1.00 0.00 C ATOM 0 H VAL A 36 -0.374 17.832 1.059 1.00 0.00 H new ATOM 0 HA VAL A 36 1.725 19.827 1.454 1.00 0.00 H new ATOM 0 HB VAL A 36 0.859 17.544 3.263 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.120 18.787 4.987 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.161 18.295 3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.606 19.981 3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.264 19.259 4.625 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.113 20.480 3.386 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.977 19.127 2.999 1.00 0.00 H new ATOM 550 N PRO A 37 3.593 18.334 0.662 1.00 0.00 N ATOM 551 CA PRO A 37 4.732 17.504 0.352 1.00 0.00 C ATOM 552 C PRO A 37 5.320 16.979 1.651 1.00 0.00 C ATOM 553 O PRO A 37 6.026 17.693 2.365 1.00 0.00 O ATOM 554 CB PRO A 37 5.718 18.457 -0.341 1.00 0.00 C ATOM 555 CG PRO A 37 4.915 19.666 -0.678 1.00 0.00 C ATOM 556 CD PRO A 37 3.860 19.750 0.375 1.00 0.00 C ATOM 0 HA PRO A 37 4.490 16.645 -0.273 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.552 18.707 0.315 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.142 18.003 -1.237 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.537 20.561 -0.683 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.473 19.579 -1.671 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.208 20.286 1.258 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.970 20.268 0.019 1.00 0.00 H new ATOM 564 N VAL A 38 4.979 15.757 1.977 1.00 0.00 N ATOM 565 CA VAL A 38 5.379 15.167 3.238 1.00 0.00 C ATOM 566 C VAL A 38 6.795 14.652 3.174 1.00 0.00 C ATOM 567 O VAL A 38 7.429 14.391 4.203 1.00 0.00 O ATOM 568 CB VAL A 38 4.416 14.036 3.689 1.00 0.00 C ATOM 569 CG1 VAL A 38 3.003 14.565 3.815 1.00 0.00 C ATOM 570 CG2 VAL A 38 4.451 12.857 2.737 1.00 0.00 C ATOM 0 H VAL A 38 4.420 15.144 1.383 1.00 0.00 H new ATOM 0 HA VAL A 38 5.328 15.961 3.983 1.00 0.00 H new ATOM 0 HB VAL A 38 4.754 13.686 4.664 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.340 13.760 4.132 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.979 15.367 4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.671 14.950 2.851 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.764 12.086 3.087 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.153 13.184 1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.462 12.451 2.698 1.00 0.00 H new ATOM 580 N ASP A 39 7.289 14.499 1.972 1.00 0.00 N ATOM 581 CA ASP A 39 8.633 14.045 1.768 1.00 0.00 C ATOM 582 C ASP A 39 9.135 14.687 0.499 1.00 0.00 C ATOM 583 O ASP A 39 8.479 14.601 -0.528 1.00 0.00 O ATOM 584 CB ASP A 39 8.633 12.525 1.638 1.00 0.00 C ATOM 585 CG ASP A 39 9.986 11.896 1.793 1.00 0.00 C ATOM 586 OD1 ASP A 39 10.408 11.678 2.948 1.00 0.00 O ATOM 587 OD2 ASP A 39 10.592 11.518 0.794 1.00 0.00 O1- ATOM 0 H ASP A 39 6.771 14.686 1.114 1.00 0.00 H new ATOM 0 HA ASP A 39 9.278 14.316 2.604 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.962 12.107 2.388 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.228 12.255 0.663 1.00 0.00 H new ATOM 592 N VAL A 40 10.223 15.391 0.576 1.00 0.00 N ATOM 593 CA VAL A 40 10.790 16.031 -0.586 1.00 0.00 C ATOM 594 C VAL A 40 12.284 16.013 -0.463 1.00 0.00 C ATOM 595 O VAL A 40 12.822 16.202 0.610 1.00 0.00 O ATOM 596 CB VAL A 40 10.280 17.510 -0.806 1.00 0.00 C ATOM 597 CG1 VAL A 40 10.651 18.425 0.349 1.00 0.00 C ATOM 598 CG2 VAL A 40 10.800 18.089 -2.120 1.00 0.00 C ATOM 0 H VAL A 40 10.746 15.542 1.439 1.00 0.00 H new ATOM 0 HA VAL A 40 10.462 15.469 -1.461 1.00 0.00 H new ATOM 0 HB VAL A 40 9.192 17.456 -0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.279 19.430 0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.206 18.048 1.270 1.00 0.00 H new ATOM 0 HG13 VAL A 40 11.735 18.454 0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.431 19.107 -2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.890 18.097 -2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.451 17.476 -2.951 1.00 0.00 H new ATOM 608 N ILE A 41 12.938 15.745 -1.530 1.00 0.00 N ATOM 609 CA ILE A 41 14.368 15.713 -1.549 1.00 0.00 C ATOM 610 C ILE A 41 14.882 16.253 -2.842 1.00 0.00 C ATOM 611 O ILE A 41 14.444 15.860 -3.920 1.00 0.00 O ATOM 612 CB ILE A 41 15.026 14.307 -1.249 1.00 0.00 C ATOM 613 CG1 ILE A 41 14.461 13.149 -2.118 1.00 0.00 C ATOM 614 CG2 ILE A 41 14.978 13.960 0.231 1.00 0.00 C ATOM 615 CD1 ILE A 41 13.046 12.687 -1.775 1.00 0.00 C ATOM 0 H ILE A 41 12.501 15.538 -2.428 1.00 0.00 H new ATOM 0 HA ILE A 41 14.668 16.348 -0.715 1.00 0.00 H new ATOM 0 HB ILE A 41 16.071 14.415 -1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.477 13.463 -3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 41 15.132 12.295 -2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 41 15.441 12.986 0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.518 14.717 0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 41 13.941 13.928 0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.756 11.877 -2.444 1.00 0.00 H new ATOM 0 HD12 ILE A 41 13.018 12.334 -0.744 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.353 13.520 -1.892 1.00 0.00 H new ATOM 627 N LEU A 42 15.765 17.176 -2.733 1.00 0.00 N ATOM 628 CA LEU A 42 16.389 17.768 -3.861 1.00 0.00 C ATOM 629 C LEU A 42 17.703 17.051 -3.997 1.00 0.00 C ATOM 630 O LEU A 42 18.426 16.895 -3.012 1.00 0.00 O ATOM 631 CB LEU A 42 16.540 19.304 -3.613 1.00 0.00 C ATOM 632 CG LEU A 42 17.093 20.226 -4.741 1.00 0.00 C ATOM 633 CD1 LEU A 42 18.568 20.048 -4.963 1.00 0.00 C ATOM 634 CD2 LEU A 42 16.347 20.018 -6.039 1.00 0.00 C ATOM 0 H LEU A 42 16.082 17.550 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 42 15.820 17.673 -4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 42 15.557 19.685 -3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 42 17.187 19.430 -2.745 1.00 0.00 H new ATOM 0 HG LEU A 42 16.932 21.249 -4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 42 18.899 20.715 -5.759 1.00 0.00 H new ATOM 0 HD12 LEU A 42 19.105 20.285 -4.045 1.00 0.00 H new ATOM 0 HD13 LEU A 42 18.771 19.015 -5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.758 20.676 -6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 42 16.453 18.981 -6.357 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.291 20.246 -5.893 1.00 0.00 H new ATOM 646 N SER A 43 17.988 16.559 -5.170 1.00 0.00 N ATOM 647 CA SER A 43 19.192 15.828 -5.387 1.00 0.00 C ATOM 648 C SER A 43 20.342 16.816 -5.422 1.00 0.00 C ATOM 649 O SER A 43 20.579 17.484 -6.432 1.00 0.00 O ATOM 650 CB SER A 43 19.099 15.006 -6.692 1.00 0.00 C ATOM 651 OG SER A 43 20.182 14.092 -6.837 1.00 0.00 O ATOM 0 H SER A 43 17.393 16.655 -5.993 1.00 0.00 H new ATOM 0 HA SER A 43 19.358 15.114 -4.580 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.158 14.455 -6.705 1.00 0.00 H new ATOM 0 HB3 SER A 43 19.083 15.684 -7.545 1.00 0.00 H new ATOM 0 HG SER A 43 20.080 13.594 -7.675 1.00 0.00 H new ATOM 657 N ARG A 44 20.968 16.987 -4.299 1.00 0.00 N ATOM 658 CA ARG A 44 22.079 17.859 -4.177 1.00 0.00 C ATOM 659 C ARG A 44 23.270 17.091 -3.644 1.00 0.00 C ATOM 660 O ARG A 44 23.128 16.245 -2.769 1.00 0.00 O ATOM 661 CB ARG A 44 21.710 19.140 -3.387 1.00 0.00 C ATOM 662 CG ARG A 44 21.119 18.938 -2.004 1.00 0.00 C ATOM 663 CD ARG A 44 20.453 20.225 -1.488 1.00 0.00 C ATOM 664 NE ARG A 44 21.332 21.404 -1.581 1.00 0.00 N ATOM 665 CZ ARG A 44 20.961 22.682 -1.351 1.00 0.00 C ATOM 666 NH1 ARG A 44 19.703 22.988 -1.025 1.00 0.00 N1+ ATOM 667 NH2 ARG A 44 21.848 23.652 -1.499 1.00 0.00 N ATOM 0 H ARG A 44 20.712 16.514 -3.432 1.00 0.00 H new ATOM 0 HA ARG A 44 22.376 18.233 -5.157 1.00 0.00 H new ATOM 0 HB2 ARG A 44 22.608 19.750 -3.288 1.00 0.00 H new ATOM 0 HB3 ARG A 44 20.999 19.714 -3.981 1.00 0.00 H new ATOM 0 HG2 ARG A 44 20.385 18.133 -2.034 1.00 0.00 H new ATOM 0 HG3 ARG A 44 21.903 18.629 -1.313 1.00 0.00 H new ATOM 0 HD2 ARG A 44 19.543 20.411 -2.059 1.00 0.00 H new ATOM 0 HD3 ARG A 44 20.154 20.082 -0.450 1.00 0.00 H new ATOM 0 HE ARG A 44 22.305 21.241 -1.842 1.00 0.00 H new ATOM 0 HH11 ARG A 44 19.003 22.250 -0.946 1.00 0.00 H new ATOM 0 HH12 ARG A 44 19.442 23.959 -0.855 1.00 0.00 H new ATOM 0 HH21 ARG A 44 22.802 23.431 -1.784 1.00 0.00 H new ATOM 0 HH22 ARG A 44 21.578 24.621 -1.328 1.00 0.00 H new ATOM 681 N ASP A 45 24.417 17.348 -4.246 1.00 0.00 N ATOM 682 CA ASP A 45 25.664 16.582 -4.015 1.00 0.00 C ATOM 683 C ASP A 45 26.111 16.543 -2.541 1.00 0.00 C ATOM 684 O ASP A 45 25.995 17.526 -1.829 1.00 0.00 O ATOM 685 CB ASP A 45 26.781 17.131 -4.903 1.00 0.00 C ATOM 686 CG ASP A 45 28.072 16.380 -4.737 1.00 0.00 C ATOM 687 OD1 ASP A 45 28.253 15.323 -5.379 1.00 0.00 O1- ATOM 688 OD2 ASP A 45 28.916 16.812 -3.952 1.00 0.00 O ATOM 0 H ASP A 45 24.527 18.103 -4.923 1.00 0.00 H new ATOM 0 HA ASP A 45 25.446 15.548 -4.282 1.00 0.00 H new ATOM 0 HB2 ASP A 45 26.468 17.083 -5.946 1.00 0.00 H new ATOM 0 HB3 ASP A 45 26.944 18.183 -4.668 1.00 0.00 H new ATOM 693 N GLU A 46 26.658 15.401 -2.123 1.00 0.00 N ATOM 694 CA GLU A 46 27.074 15.162 -0.732 1.00 0.00 C ATOM 695 C GLU A 46 28.308 15.994 -0.322 1.00 0.00 C ATOM 696 O GLU A 46 28.514 16.284 0.863 1.00 0.00 O ATOM 697 CB GLU A 46 27.370 13.661 -0.525 1.00 0.00 C ATOM 698 CG GLU A 46 27.574 13.248 0.934 1.00 0.00 C ATOM 699 CD GLU A 46 28.008 11.810 1.093 1.00 0.00 C ATOM 700 OE1 GLU A 46 27.185 10.887 0.900 1.00 0.00 O ATOM 701 OE2 GLU A 46 29.196 11.561 1.425 1.00 0.00 O1- ATOM 0 H GLU A 46 26.828 14.608 -2.741 1.00 0.00 H new ATOM 0 HA GLU A 46 26.248 15.478 -0.095 1.00 0.00 H new ATOM 0 HB2 GLU A 46 26.547 13.081 -0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 46 28.263 13.399 -1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 46 28.322 13.898 1.387 1.00 0.00 H new ATOM 0 HG3 GLU A 46 26.644 13.402 1.481 1.00 0.00 H new ATOM 708 N ASN A 47 29.096 16.391 -1.282 1.00 0.00 N ATOM 709 CA ASN A 47 30.357 17.062 -1.003 1.00 0.00 C ATOM 710 C ASN A 47 30.167 18.554 -0.940 1.00 0.00 C ATOM 711 O ASN A 47 30.520 19.197 0.053 1.00 0.00 O ATOM 712 CB ASN A 47 31.395 16.775 -2.101 1.00 0.00 C ATOM 713 CG ASN A 47 31.609 15.309 -2.386 1.00 0.00 C ATOM 714 OD1 ASN A 47 32.466 14.655 -1.784 1.00 0.00 O ATOM 715 ND2 ASN A 47 30.843 14.787 -3.311 1.00 0.00 N ATOM 0 H ASN A 47 28.895 16.265 -2.274 1.00 0.00 H new ATOM 0 HA ASN A 47 30.710 16.681 -0.045 1.00 0.00 H new ATOM 0 HB2 ASN A 47 31.080 17.270 -3.020 1.00 0.00 H new ATOM 0 HB3 ASN A 47 32.347 17.219 -1.810 1.00 0.00 H new ATOM 0 HD21 ASN A 47 30.942 13.803 -3.559 1.00 0.00 H new ATOM 0 HD22 ASN A 47 30.147 15.365 -3.783 1.00 0.00 H new ATOM 722 N THR A 48 29.596 19.101 -1.993 1.00 0.00 N ATOM 723 CA THR A 48 29.499 20.540 -2.140 1.00 0.00 C ATOM 724 C THR A 48 28.057 21.053 -1.919 1.00 0.00 C ATOM 725 O THR A 48 27.832 22.248 -1.705 1.00 0.00 O ATOM 726 CB THR A 48 30.071 20.975 -3.531 1.00 0.00 C ATOM 727 OG1 THR A 48 30.056 22.396 -3.698 1.00 0.00 O ATOM 728 CG2 THR A 48 29.315 20.319 -4.665 1.00 0.00 C ATOM 0 H THR A 48 29.190 18.569 -2.763 1.00 0.00 H new ATOM 0 HA THR A 48 30.104 21.003 -1.361 1.00 0.00 H new ATOM 0 HB THR A 48 31.108 20.641 -3.557 1.00 0.00 H new ATOM 0 HG1 THR A 48 30.422 22.626 -4.577 1.00 0.00 H new ATOM 0 HG21 THR A 48 29.736 20.641 -5.617 1.00 0.00 H new ATOM 0 HG22 THR A 48 29.399 19.236 -4.579 1.00 0.00 H new ATOM 0 HG23 THR A 48 28.265 20.607 -4.617 1.00 0.00 H new ATOM 736 N GLY A 49 27.093 20.147 -1.954 1.00 0.00 N ATOM 737 CA GLY A 49 25.711 20.518 -1.701 1.00 0.00 C ATOM 738 C GLY A 49 25.043 21.248 -2.846 1.00 0.00 C ATOM 739 O GLY A 49 24.012 21.893 -2.647 1.00 0.00 O ATOM 0 H GLY A 49 27.240 19.158 -2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 49 25.140 19.617 -1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 49 25.673 21.148 -0.812 1.00 0.00 H new ATOM 743 N GLU A 50 25.592 21.123 -4.041 1.00 0.00 N ATOM 744 CA GLU A 50 25.044 21.809 -5.201 1.00 0.00 C ATOM 745 C GLU A 50 23.829 21.069 -5.730 1.00 0.00 C ATOM 746 O GLU A 50 23.784 19.827 -5.694 1.00 0.00 O ATOM 747 CB GLU A 50 26.124 22.003 -6.297 1.00 0.00 C ATOM 748 CG GLU A 50 26.700 20.713 -6.886 1.00 0.00 C ATOM 749 CD GLU A 50 26.206 20.412 -8.286 1.00 0.00 C ATOM 750 OE1 GLU A 50 25.074 19.952 -8.454 1.00 0.00 O ATOM 751 OE2 GLU A 50 26.976 20.608 -9.248 1.00 0.00 O1- ATOM 0 H GLU A 50 26.416 20.554 -4.235 1.00 0.00 H new ATOM 0 HA GLU A 50 24.719 22.803 -4.894 1.00 0.00 H new ATOM 0 HB2 GLU A 50 25.694 22.592 -7.107 1.00 0.00 H new ATOM 0 HB3 GLU A 50 26.942 22.588 -5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 50 27.788 20.784 -6.901 1.00 0.00 H new ATOM 0 HG3 GLU A 50 26.444 19.879 -6.232 1.00 0.00 H new ATOM 758 N SER A 51 22.838 21.823 -6.143 1.00 0.00 N ATOM 759 CA SER A 51 21.622 21.287 -6.706 1.00 0.00 C ATOM 760 C SER A 51 21.920 20.642 -8.055 1.00 0.00 C ATOM 761 O SER A 51 22.268 21.322 -8.991 1.00 0.00 O ATOM 762 CB SER A 51 20.616 22.425 -6.895 1.00 0.00 C ATOM 763 OG SER A 51 20.420 23.141 -5.681 1.00 0.00 O ATOM 0 H SER A 51 22.854 22.842 -6.096 1.00 0.00 H new ATOM 0 HA SER A 51 21.208 20.535 -6.034 1.00 0.00 H new ATOM 0 HB2 SER A 51 20.972 23.105 -7.669 1.00 0.00 H new ATOM 0 HB3 SER A 51 19.665 22.020 -7.240 1.00 0.00 H new ATOM 0 HG SER A 51 20.379 24.102 -5.871 1.00 0.00 H new ATOM 769 N GLN A 52 21.750 19.341 -8.156 1.00 0.00 N ATOM 770 CA GLN A 52 22.056 18.609 -9.395 1.00 0.00 C ATOM 771 C GLN A 52 21.016 18.883 -10.483 1.00 0.00 C ATOM 772 O GLN A 52 21.181 18.480 -11.632 1.00 0.00 O ATOM 773 CB GLN A 52 22.141 17.115 -9.118 1.00 0.00 C ATOM 774 CG GLN A 52 23.241 16.732 -8.142 1.00 0.00 C ATOM 775 CD GLN A 52 23.142 15.290 -7.701 1.00 0.00 C ATOM 776 OE1 GLN A 52 22.668 14.422 -8.442 1.00 0.00 O ATOM 777 NE2 GLN A 52 23.547 15.019 -6.488 1.00 0.00 N ATOM 0 H GLN A 52 21.400 18.754 -7.398 1.00 0.00 H new ATOM 0 HA GLN A 52 23.021 18.963 -9.758 1.00 0.00 H new ATOM 0 HB2 GLN A 52 21.184 16.773 -8.724 1.00 0.00 H new ATOM 0 HB3 GLN A 52 22.304 16.590 -10.059 1.00 0.00 H new ATOM 0 HG2 GLN A 52 24.212 16.901 -8.608 1.00 0.00 H new ATOM 0 HG3 GLN A 52 23.190 17.381 -7.268 1.00 0.00 H new ATOM 0 HE21 GLN A 52 23.934 15.759 -5.902 1.00 0.00 H new ATOM 0 HE22 GLN A 52 23.476 14.067 -6.127 1.00 0.00 H new ATOM 786 N GLY A 53 19.962 19.577 -10.112 1.00 0.00 N ATOM 787 CA GLY A 53 18.925 19.900 -11.056 1.00 0.00 C ATOM 788 C GLY A 53 17.859 18.833 -11.140 1.00 0.00 C ATOM 789 O GLY A 53 17.131 18.753 -12.125 1.00 0.00 O ATOM 0 H GLY A 53 19.805 19.925 -9.166 1.00 0.00 H new ATOM 0 HA2 GLY A 53 18.464 20.846 -10.773 1.00 0.00 H new ATOM 0 HA3 GLY A 53 19.368 20.043 -12.041 1.00 0.00 H new ATOM 793 N PHE A 54 17.766 18.007 -10.115 1.00 0.00 N ATOM 794 CA PHE A 54 16.769 16.944 -10.055 1.00 0.00 C ATOM 795 C PHE A 54 16.241 16.860 -8.647 1.00 0.00 C ATOM 796 O PHE A 54 16.976 17.148 -7.696 1.00 0.00 O ATOM 797 CB PHE A 54 17.372 15.580 -10.457 1.00 0.00 C ATOM 798 CG PHE A 54 17.937 15.549 -11.847 1.00 0.00 C ATOM 799 CD1 PHE A 54 17.108 15.375 -12.934 1.00 0.00 C ATOM 800 CD2 PHE A 54 19.296 15.713 -12.062 1.00 0.00 C ATOM 801 CE1 PHE A 54 17.616 15.364 -14.213 1.00 0.00 C ATOM 802 CE2 PHE A 54 19.809 15.707 -13.339 1.00 0.00 C ATOM 803 CZ PHE A 54 18.966 15.531 -14.415 1.00 0.00 C ATOM 0 H PHE A 54 18.377 18.050 -9.299 1.00 0.00 H new ATOM 0 HA PHE A 54 15.968 17.177 -10.757 1.00 0.00 H new ATOM 0 HB2 PHE A 54 18.159 15.320 -9.750 1.00 0.00 H new ATOM 0 HB3 PHE A 54 16.601 14.814 -10.372 1.00 0.00 H new ATOM 0 HD1 PHE A 54 16.047 15.246 -12.780 1.00 0.00 H new ATOM 0 HD2 PHE A 54 19.959 15.847 -11.220 1.00 0.00 H new ATOM 0 HE1 PHE A 54 16.956 15.225 -15.056 1.00 0.00 H new ATOM 0 HE2 PHE A 54 20.869 15.840 -13.497 1.00 0.00 H new ATOM 0 HZ PHE A 54 19.366 15.524 -15.418 1.00 0.00 H new ATOM 813 N ALA A 55 15.001 16.497 -8.499 1.00 0.00 N ATOM 814 CA ALA A 55 14.390 16.365 -7.202 1.00 0.00 C ATOM 815 C ALA A 55 13.400 15.222 -7.207 1.00 0.00 C ATOM 816 O ALA A 55 13.063 14.686 -8.263 1.00 0.00 O ATOM 817 CB ALA A 55 13.701 17.664 -6.791 1.00 0.00 C ATOM 0 H ALA A 55 14.378 16.282 -9.278 1.00 0.00 H new ATOM 0 HA ALA A 55 15.172 16.151 -6.474 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.247 17.540 -5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.435 18.469 -6.752 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.928 17.912 -7.519 1.00 0.00 H new ATOM 823 N TYR A 56 12.974 14.834 -6.043 1.00 0.00 N ATOM 824 CA TYR A 56 11.996 13.793 -5.861 1.00 0.00 C ATOM 825 C TYR A 56 11.049 14.304 -4.790 1.00 0.00 C ATOM 826 O TYR A 56 11.503 14.963 -3.841 1.00 0.00 O ATOM 827 CB TYR A 56 12.659 12.491 -5.355 1.00 0.00 C ATOM 828 CG TYR A 56 13.893 12.023 -6.123 1.00 0.00 C ATOM 829 CD1 TYR A 56 15.163 12.482 -5.774 1.00 0.00 C ATOM 830 CD2 TYR A 56 13.794 11.118 -7.169 1.00 0.00 C ATOM 831 CE1 TYR A 56 16.287 12.058 -6.440 1.00 0.00 C ATOM 832 CE2 TYR A 56 14.924 10.688 -7.848 1.00 0.00 C ATOM 833 CZ TYR A 56 16.168 11.165 -7.476 1.00 0.00 C ATOM 834 OH TYR A 56 17.304 10.732 -8.135 1.00 0.00 O ATOM 0 H TYR A 56 13.303 15.241 -5.167 1.00 0.00 H new ATOM 0 HA TYR A 56 11.493 13.567 -6.802 1.00 0.00 H new ATOM 0 HB2 TYR A 56 12.938 12.631 -4.311 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.915 11.694 -5.382 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.265 13.187 -4.962 1.00 0.00 H new ATOM 0 HD2 TYR A 56 12.824 10.743 -7.459 1.00 0.00 H new ATOM 0 HE1 TYR A 56 17.260 12.426 -6.150 1.00 0.00 H new ATOM 0 HE2 TYR A 56 14.833 9.985 -8.663 1.00 0.00 H new ATOM 0 HH TYR A 56 17.052 10.102 -8.842 1.00 0.00 H new ATOM 844 N LEU A 57 9.776 14.069 -4.931 1.00 0.00 N ATOM 845 CA LEU A 57 8.832 14.540 -3.945 1.00 0.00 C ATOM 846 C LEU A 57 7.711 13.522 -3.767 1.00 0.00 C ATOM 847 O LEU A 57 7.435 12.747 -4.661 1.00 0.00 O ATOM 848 CB LEU A 57 8.319 15.945 -4.375 1.00 0.00 C ATOM 849 CG LEU A 57 7.429 16.745 -3.407 1.00 0.00 C ATOM 850 CD1 LEU A 57 7.544 18.219 -3.729 1.00 0.00 C ATOM 851 CD2 LEU A 57 5.977 16.336 -3.542 1.00 0.00 C ATOM 0 H LEU A 57 9.365 13.558 -5.712 1.00 0.00 H new ATOM 0 HA LEU A 57 9.308 14.645 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.191 16.558 -4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.765 15.822 -5.305 1.00 0.00 H new ATOM 0 HG LEU A 57 7.762 16.543 -2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.915 18.791 -3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.581 18.536 -3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.218 18.394 -4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.370 16.916 -2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.640 16.522 -4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.875 15.275 -3.314 1.00 0.00 H new ATOM 863 N LYS A 58 7.131 13.496 -2.600 1.00 0.00 N ATOM 864 CA LYS A 58 6.019 12.637 -2.292 1.00 0.00 C ATOM 865 C LYS A 58 5.004 13.450 -1.491 1.00 0.00 C ATOM 866 O LYS A 58 5.370 14.098 -0.480 1.00 0.00 O ATOM 867 CB LYS A 58 6.494 11.460 -1.435 1.00 0.00 C ATOM 868 CG LYS A 58 5.435 10.393 -1.168 1.00 0.00 C ATOM 869 CD LYS A 58 5.893 9.385 -0.110 1.00 0.00 C ATOM 870 CE LYS A 58 5.980 10.033 1.268 1.00 0.00 C ATOM 871 NZ LYS A 58 6.451 9.106 2.317 1.00 0.00 N1+ ATOM 0 H LYS A 58 7.423 14.083 -1.819 1.00 0.00 H new ATOM 0 HA LYS A 58 5.576 12.255 -3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.346 10.991 -1.927 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.850 11.845 -0.480 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.513 10.871 -0.838 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.207 9.867 -2.095 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.197 8.547 -0.077 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.867 8.980 -0.387 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.654 10.888 1.218 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.998 10.416 1.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.489 9.604 3.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.796 8.301 2.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.400 8.759 2.073 1.00 0.00 H new ATOM 885 N TYR A 59 3.771 13.465 -1.946 1.00 0.00 N ATOM 886 CA TYR A 59 2.692 14.119 -1.220 1.00 0.00 C ATOM 887 C TYR A 59 2.189 13.222 -0.115 1.00 0.00 C ATOM 888 O TYR A 59 2.674 12.095 0.049 1.00 0.00 O ATOM 889 CB TYR A 59 1.531 14.476 -2.136 1.00 0.00 C ATOM 890 CG TYR A 59 1.723 15.705 -2.969 1.00 0.00 C ATOM 891 CD1 TYR A 59 2.391 15.666 -4.182 1.00 0.00 C ATOM 892 CD2 TYR A 59 1.200 16.913 -2.548 1.00 0.00 C ATOM 893 CE1 TYR A 59 2.529 16.802 -4.947 1.00 0.00 C ATOM 894 CE2 TYR A 59 1.336 18.048 -3.302 1.00 0.00 C ATOM 895 CZ TYR A 59 1.999 17.990 -4.497 1.00 0.00 C ATOM 896 OH TYR A 59 2.116 19.123 -5.253 1.00 0.00 O ATOM 0 H TYR A 59 3.484 13.029 -2.822 1.00 0.00 H new ATOM 0 HA TYR A 59 3.096 15.040 -0.800 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.343 13.633 -2.801 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.637 14.607 -1.527 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.808 14.733 -4.532 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.674 16.963 -1.606 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.049 16.762 -5.893 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.922 18.983 -2.955 1.00 0.00 H new ATOM 0 HH TYR A 59 1.924 19.908 -4.698 1.00 0.00 H new ATOM 906 N GLU A 60 1.211 13.701 0.625 1.00 0.00 N ATOM 907 CA GLU A 60 0.646 12.941 1.715 1.00 0.00 C ATOM 908 C GLU A 60 -0.159 11.756 1.189 1.00 0.00 C ATOM 909 O GLU A 60 -0.319 10.750 1.870 1.00 0.00 O ATOM 910 CB GLU A 60 -0.190 13.825 2.668 1.00 0.00 C ATOM 911 CG GLU A 60 -1.519 14.313 2.139 1.00 0.00 C ATOM 912 CD GLU A 60 -1.447 15.259 0.954 1.00 0.00 C ATOM 913 OE1 GLU A 60 -1.403 16.479 1.160 1.00 0.00 O ATOM 914 OE2 GLU A 60 -1.503 14.791 -0.201 1.00 0.00 O1- ATOM 0 H GLU A 60 0.790 14.620 0.488 1.00 0.00 H new ATOM 0 HA GLU A 60 1.474 12.548 2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.372 13.263 3.584 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.409 14.694 2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.116 13.447 1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.050 14.814 2.949 1.00 0.00 H new ATOM 921 N ASP A 61 -0.641 11.883 -0.021 1.00 0.00 N ATOM 922 CA ASP A 61 -1.374 10.826 -0.671 1.00 0.00 C ATOM 923 C ASP A 61 -1.026 10.852 -2.151 1.00 0.00 C ATOM 924 O ASP A 61 -0.439 11.828 -2.634 1.00 0.00 O ATOM 925 CB ASP A 61 -2.878 11.023 -0.457 1.00 0.00 C ATOM 926 CG ASP A 61 -3.719 9.889 -0.975 1.00 0.00 C ATOM 927 OD1 ASP A 61 -3.904 8.895 -0.257 1.00 0.00 O1- ATOM 928 OD2 ASP A 61 -4.211 9.975 -2.114 1.00 0.00 O ATOM 0 H ASP A 61 -0.536 12.726 -0.586 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.105 9.858 -0.250 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.070 11.148 0.609 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.187 11.946 -0.948 1.00 0.00 H new ATOM 933 N GLN A 62 -1.365 9.817 -2.881 1.00 0.00 N ATOM 934 CA GLN A 62 -1.035 9.777 -4.281 1.00 0.00 C ATOM 935 C GLN A 62 -1.998 10.577 -5.145 1.00 0.00 C ATOM 936 O GLN A 62 -1.693 10.875 -6.285 1.00 0.00 O ATOM 937 CB GLN A 62 -0.909 8.368 -4.808 1.00 0.00 C ATOM 938 CG GLN A 62 0.258 7.604 -4.254 1.00 0.00 C ATOM 939 CD GLN A 62 0.396 6.282 -4.938 1.00 0.00 C ATOM 940 OE1 GLN A 62 -0.159 5.280 -4.512 1.00 0.00 O ATOM 941 NE2 GLN A 62 1.123 6.273 -6.009 1.00 0.00 N ATOM 0 H GLN A 62 -1.865 8.999 -2.531 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.057 10.254 -4.351 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.826 7.824 -4.580 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.822 8.405 -5.894 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.172 8.183 -4.383 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.125 7.453 -3.183 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.569 7.132 -6.330 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.250 5.406 -6.532 1.00 0.00 H new ATOM 950 N ARG A 63 -3.135 10.950 -4.601 1.00 0.00 N ATOM 951 CA ARG A 63 -4.142 11.701 -5.365 1.00 0.00 C ATOM 952 C ARG A 63 -3.587 13.079 -5.790 1.00 0.00 C ATOM 953 O ARG A 63 -3.701 13.498 -6.952 1.00 0.00 O ATOM 954 CB ARG A 63 -5.410 11.874 -4.518 1.00 0.00 C ATOM 955 CG ARG A 63 -6.619 12.429 -5.256 1.00 0.00 C ATOM 956 CD ARG A 63 -7.774 12.719 -4.297 1.00 0.00 C ATOM 957 NE ARG A 63 -8.134 11.553 -3.469 1.00 0.00 N ATOM 958 CZ ARG A 63 -9.206 11.474 -2.659 1.00 0.00 C ATOM 959 NH1 ARG A 63 -10.115 12.432 -2.644 1.00 0.00 N1+ ATOM 960 NH2 ARG A 63 -9.366 10.420 -1.883 1.00 0.00 N ATOM 0 H ARG A 63 -3.398 10.753 -3.635 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.389 11.142 -6.267 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.678 10.906 -4.094 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.181 12.536 -3.683 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.340 13.344 -5.778 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.944 11.716 -6.014 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.501 13.550 -3.647 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.646 13.035 -4.870 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.520 10.740 -3.514 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.010 13.245 -3.251 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.923 12.359 -2.025 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.678 9.667 -1.897 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.178 10.358 -1.268 1.00 0.00 H new ATOM 974 N SER A 64 -2.911 13.714 -4.872 1.00 0.00 N ATOM 975 CA SER A 64 -2.362 15.036 -5.061 1.00 0.00 C ATOM 976 C SER A 64 -1.101 14.925 -5.904 1.00 0.00 C ATOM 977 O SER A 64 -0.761 15.797 -6.697 1.00 0.00 O ATOM 978 CB SER A 64 -2.076 15.563 -3.672 1.00 0.00 C ATOM 979 OG SER A 64 -1.703 14.463 -2.834 1.00 0.00 O ATOM 0 H SER A 64 -2.720 13.321 -3.950 1.00 0.00 H new ATOM 0 HA SER A 64 -3.037 15.713 -5.584 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.275 16.302 -3.705 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.956 16.064 -3.269 1.00 0.00 H new ATOM 0 HG SER A 64 -1.444 14.798 -1.950 1.00 0.00 H new ATOM 985 N THR A 65 -0.481 13.805 -5.735 1.00 0.00 N ATOM 986 CA THR A 65 0.679 13.377 -6.440 1.00 0.00 C ATOM 987 C THR A 65 0.396 13.264 -7.976 1.00 0.00 C ATOM 988 O THR A 65 1.147 13.808 -8.802 1.00 0.00 O ATOM 989 CB THR A 65 1.057 12.032 -5.807 1.00 0.00 C ATOM 990 OG1 THR A 65 1.636 12.204 -4.501 1.00 0.00 O ATOM 991 CG2 THR A 65 1.877 11.142 -6.670 1.00 0.00 C ATOM 0 H THR A 65 -0.795 13.116 -5.051 1.00 0.00 H new ATOM 0 HA THR A 65 1.501 14.088 -6.360 1.00 0.00 H new ATOM 0 HB THR A 65 0.112 11.501 -5.693 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.959 12.020 -3.816 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.094 10.217 -6.136 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.328 10.914 -7.584 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.812 11.642 -6.924 1.00 0.00 H new ATOM 999 N ILE A 66 -0.712 12.601 -8.333 1.00 0.00 N ATOM 1000 CA ILE A 66 -1.105 12.439 -9.738 1.00 0.00 C ATOM 1001 C ILE A 66 -1.481 13.799 -10.325 1.00 0.00 C ATOM 1002 O ILE A 66 -1.142 14.128 -11.476 1.00 0.00 O ATOM 1003 CB ILE A 66 -2.319 11.480 -9.888 1.00 0.00 C ATOM 1004 CG1 ILE A 66 -2.016 10.123 -9.250 1.00 0.00 C ATOM 1005 CG2 ILE A 66 -2.671 11.292 -11.370 1.00 0.00 C ATOM 1006 CD1 ILE A 66 -3.223 9.219 -9.145 1.00 0.00 C ATOM 0 H ILE A 66 -1.352 12.168 -7.667 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.256 12.010 -10.271 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.171 11.926 -9.374 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.246 9.620 -9.835 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.605 10.283 -8.253 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.523 10.618 -11.459 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.924 12.257 -11.809 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.816 10.867 -11.896 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.932 8.276 -8.683 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.987 9.701 -8.535 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.622 9.027 -10.141 1.00 0.00 H new ATOM 1018 N LEU A 67 -2.170 14.593 -9.523 1.00 0.00 N ATOM 1019 CA LEU A 67 -2.573 15.914 -9.948 1.00 0.00 C ATOM 1020 C LEU A 67 -1.338 16.775 -10.258 1.00 0.00 C ATOM 1021 O LEU A 67 -1.291 17.452 -11.282 1.00 0.00 O ATOM 1022 CB LEU A 67 -3.455 16.571 -8.883 1.00 0.00 C ATOM 1023 CG LEU A 67 -4.096 17.907 -9.265 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -4.987 17.743 -10.483 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -4.901 18.450 -8.110 1.00 0.00 C ATOM 0 H LEU A 67 -2.459 14.343 -8.577 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.160 15.827 -10.862 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.250 15.873 -8.619 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.854 16.724 -7.987 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.300 18.612 -9.506 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.434 18.704 -10.739 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.392 17.384 -11.323 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.776 17.023 -10.263 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.351 19.401 -8.395 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.686 17.741 -7.848 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.248 18.602 -7.251 1.00 0.00 H new ATOM 1037 N ALA A 68 -0.331 16.688 -9.402 1.00 0.00 N ATOM 1038 CA ALA A 68 0.906 17.433 -9.574 1.00 0.00 C ATOM 1039 C ALA A 68 1.606 17.091 -10.887 1.00 0.00 C ATOM 1040 O ALA A 68 1.957 17.994 -11.647 1.00 0.00 O ATOM 1041 CB ALA A 68 1.841 17.206 -8.403 1.00 0.00 C ATOM 0 H ALA A 68 -0.349 16.099 -8.569 1.00 0.00 H new ATOM 0 HA ALA A 68 0.638 18.489 -9.611 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.759 17.774 -8.555 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.359 17.536 -7.483 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.079 16.145 -8.328 1.00 0.00 H new ATOM 1047 N VAL A 69 1.772 15.795 -11.178 1.00 0.00 N ATOM 1048 CA VAL A 69 2.474 15.377 -12.400 1.00 0.00 C ATOM 1049 C VAL A 69 1.772 15.854 -13.678 1.00 0.00 C ATOM 1050 O VAL A 69 2.416 16.384 -14.584 1.00 0.00 O ATOM 1051 CB VAL A 69 2.830 13.829 -12.448 1.00 0.00 C ATOM 1052 CG1 VAL A 69 1.630 12.938 -12.245 1.00 0.00 C ATOM 1053 CG2 VAL A 69 3.529 13.453 -13.748 1.00 0.00 C ATOM 0 H VAL A 69 1.436 15.028 -10.595 1.00 0.00 H new ATOM 0 HA VAL A 69 3.435 15.889 -12.357 1.00 0.00 H new ATOM 0 HB VAL A 69 3.510 13.663 -11.613 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.940 11.894 -12.289 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.185 13.144 -11.272 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.896 13.132 -13.028 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.756 12.387 -13.744 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.877 13.682 -14.591 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.455 14.021 -13.841 1.00 0.00 H new ATOM 1063 N ASP A 70 0.464 15.736 -13.718 1.00 0.00 N ATOM 1064 CA ASP A 70 -0.291 16.147 -14.904 1.00 0.00 C ATOM 1065 C ASP A 70 -0.360 17.673 -15.035 1.00 0.00 C ATOM 1066 O ASP A 70 -0.271 18.221 -16.135 1.00 0.00 O ATOM 1067 CB ASP A 70 -1.716 15.564 -14.869 1.00 0.00 C ATOM 1068 CG ASP A 70 -2.580 15.993 -16.052 1.00 0.00 C ATOM 1069 OD1 ASP A 70 -2.597 15.300 -17.084 1.00 0.00 O ATOM 1070 OD2 ASP A 70 -3.287 17.014 -15.955 1.00 0.00 O1- ATOM 0 H ASP A 70 -0.104 15.364 -12.957 1.00 0.00 H new ATOM 0 HA ASP A 70 0.238 15.756 -15.773 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.654 14.476 -14.850 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.203 15.871 -13.944 1.00 0.00 H new ATOM 1075 N ASN A 71 -0.456 18.354 -13.911 1.00 0.00 N ATOM 1076 CA ASN A 71 -0.729 19.797 -13.914 1.00 0.00 C ATOM 1077 C ASN A 71 0.518 20.656 -13.941 1.00 0.00 C ATOM 1078 O ASN A 71 0.589 21.618 -14.710 1.00 0.00 O ATOM 1079 CB ASN A 71 -1.638 20.219 -12.737 1.00 0.00 C ATOM 1080 CG ASN A 71 -3.094 19.743 -12.853 1.00 0.00 C ATOM 1081 OD1 ASN A 71 -4.009 20.386 -12.348 1.00 0.00 O ATOM 1082 ND2 ASN A 71 -3.333 18.638 -13.519 1.00 0.00 N ATOM 0 H ASN A 71 -0.351 17.944 -12.983 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.258 19.976 -14.850 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.215 19.831 -11.811 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.630 21.306 -12.660 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.290 18.302 -13.623 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.561 18.115 -13.933 1.00 0.00 H new ATOM 1089 N LEU A 72 1.508 20.313 -13.142 1.00 0.00 N ATOM 1090 CA LEU A 72 2.703 21.142 -13.036 1.00 0.00 C ATOM 1091 C LEU A 72 3.720 20.881 -14.126 1.00 0.00 C ATOM 1092 O LEU A 72 4.626 21.680 -14.311 1.00 0.00 O ATOM 1093 CB LEU A 72 3.371 21.034 -11.653 1.00 0.00 C ATOM 1094 CG LEU A 72 2.659 21.719 -10.478 1.00 0.00 C ATOM 1095 CD1 LEU A 72 3.416 21.460 -9.188 1.00 0.00 C ATOM 1096 CD2 LEU A 72 2.545 23.223 -10.725 1.00 0.00 C ATOM 0 H LEU A 72 1.515 19.476 -12.560 1.00 0.00 H new ATOM 0 HA LEU A 72 2.343 22.162 -13.169 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.481 19.977 -11.412 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.376 21.450 -11.729 1.00 0.00 H new ATOM 0 HG LEU A 72 1.655 21.304 -10.391 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.903 21.950 -8.360 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.462 20.387 -9.002 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.428 21.857 -9.274 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.038 23.693 -9.882 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.542 23.651 -10.833 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.974 23.400 -11.636 1.00 0.00 H new ATOM 1108 N ASN A 73 3.595 19.784 -14.852 1.00 0.00 N ATOM 1109 CA ASN A 73 4.585 19.494 -15.891 1.00 0.00 C ATOM 1110 C ASN A 73 4.512 20.540 -16.987 1.00 0.00 C ATOM 1111 O ASN A 73 3.458 20.744 -17.605 1.00 0.00 O ATOM 1112 CB ASN A 73 4.437 18.087 -16.478 1.00 0.00 C ATOM 1113 CG ASN A 73 5.596 17.739 -17.409 1.00 0.00 C ATOM 1114 OD1 ASN A 73 6.716 18.201 -17.225 1.00 0.00 O ATOM 1115 ND2 ASN A 73 5.350 16.925 -18.383 1.00 0.00 N ATOM 0 H ASN A 73 2.848 19.097 -14.753 1.00 0.00 H new ATOM 0 HA ASN A 73 5.566 19.531 -15.418 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.389 17.358 -15.669 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.497 18.018 -17.026 1.00 0.00 H new ATOM 0 HD21 ASN A 73 6.098 16.653 -19.021 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.408 16.555 -18.513 1.00 0.00 H new ATOM 1122 N GLY A 74 5.604 21.230 -17.192 1.00 0.00 N ATOM 1123 CA GLY A 74 5.628 22.294 -18.161 1.00 0.00 C ATOM 1124 C GLY A 74 5.506 23.660 -17.506 1.00 0.00 C ATOM 1125 O GLY A 74 5.406 24.674 -18.193 1.00 0.00 O ATOM 0 H GLY A 74 6.485 21.075 -16.703 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.556 22.246 -18.730 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.812 22.157 -18.870 1.00 0.00 H new ATOM 1129 N PHE A 75 5.486 23.686 -16.173 1.00 0.00 N ATOM 1130 CA PHE A 75 5.427 24.942 -15.426 1.00 0.00 C ATOM 1131 C PHE A 75 6.773 25.658 -15.573 1.00 0.00 C ATOM 1132 O PHE A 75 7.828 25.104 -15.213 1.00 0.00 O ATOM 1133 CB PHE A 75 5.104 24.664 -13.948 1.00 0.00 C ATOM 1134 CG PHE A 75 4.715 25.870 -13.143 1.00 0.00 C ATOM 1135 CD1 PHE A 75 3.423 26.351 -13.193 1.00 0.00 C ATOM 1136 CD2 PHE A 75 5.625 26.507 -12.328 1.00 0.00 C ATOM 1137 CE1 PHE A 75 3.046 27.445 -12.448 1.00 0.00 C ATOM 1138 CE2 PHE A 75 5.258 27.609 -11.578 1.00 0.00 C ATOM 1139 CZ PHE A 75 3.963 28.078 -11.638 1.00 0.00 C ATOM 0 H PHE A 75 5.510 22.851 -15.588 1.00 0.00 H new ATOM 0 HA PHE A 75 4.636 25.580 -15.821 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.293 23.937 -13.900 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.974 24.201 -13.483 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.697 25.862 -13.826 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.639 26.140 -12.274 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.030 27.808 -12.498 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.984 28.101 -10.947 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.669 28.937 -11.053 1.00 0.00 H new ATOM 1149 N LYS A 76 6.728 26.853 -16.107 1.00 0.00 N ATOM 1150 CA LYS A 76 7.913 27.614 -16.452 1.00 0.00 C ATOM 1151 C LYS A 76 8.465 28.391 -15.251 1.00 0.00 C ATOM 1152 O LYS A 76 7.785 29.254 -14.691 1.00 0.00 O ATOM 1153 CB LYS A 76 7.562 28.572 -17.602 1.00 0.00 C ATOM 1154 CG LYS A 76 8.734 29.363 -18.190 1.00 0.00 C ATOM 1155 CD LYS A 76 9.795 28.463 -18.825 1.00 0.00 C ATOM 1156 CE LYS A 76 9.226 27.519 -19.894 1.00 0.00 C ATOM 1157 NZ LYS A 76 8.562 28.228 -21.009 1.00 0.00 N1+ ATOM 0 H LYS A 76 5.855 27.336 -16.319 1.00 0.00 H new ATOM 0 HA LYS A 76 8.696 26.923 -16.764 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.099 27.995 -18.403 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.813 29.279 -17.245 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.357 30.059 -18.940 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.194 29.961 -17.403 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.569 29.086 -19.274 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.274 27.871 -18.045 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.033 26.905 -20.293 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.511 26.842 -19.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.201 27.535 -21.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.772 28.794 -20.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.246 28.855 -21.478 1.00 0.00 H new ATOM 1171 N ILE A 77 9.696 28.067 -14.875 1.00 0.00 N ATOM 1172 CA ILE A 77 10.393 28.720 -13.783 1.00 0.00 C ATOM 1173 C ILE A 77 11.846 29.010 -14.198 1.00 0.00 C ATOM 1174 O ILE A 77 12.689 28.091 -14.237 1.00 0.00 O ATOM 1175 CB ILE A 77 10.430 27.855 -12.476 1.00 0.00 C ATOM 1176 CG1 ILE A 77 9.014 27.501 -12.001 1.00 0.00 C ATOM 1177 CG2 ILE A 77 11.197 28.595 -11.363 1.00 0.00 C ATOM 1178 CD1 ILE A 77 8.971 26.550 -10.814 1.00 0.00 C ATOM 0 H ILE A 77 10.242 27.334 -15.328 1.00 0.00 H new ATOM 0 HA ILE A 77 9.843 29.637 -13.570 1.00 0.00 H new ATOM 0 HB ILE A 77 10.950 26.925 -12.706 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.493 28.420 -11.734 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.467 27.053 -12.830 1.00 0.00 H new ATOM 0 HG21 ILE A 77 11.214 27.981 -10.462 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.219 28.786 -11.691 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.702 29.542 -11.148 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.934 26.353 -10.543 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.461 25.613 -11.080 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.487 27.002 -9.967 1.00 0.00 H new ATOM 1190 N GLY A 78 12.116 30.237 -14.554 1.00 0.00 N ATOM 1191 CA GLY A 78 13.468 30.668 -14.844 1.00 0.00 C ATOM 1192 C GLY A 78 14.028 30.108 -16.132 1.00 0.00 C ATOM 1193 O GLY A 78 15.058 29.424 -16.126 1.00 0.00 O ATOM 0 H GLY A 78 11.412 30.968 -14.653 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.489 31.757 -14.894 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.117 30.374 -14.019 1.00 0.00 H new ATOM 1197 N GLY A 79 13.325 30.345 -17.228 1.00 0.00 N ATOM 1198 CA GLY A 79 13.800 29.953 -18.549 1.00 0.00 C ATOM 1199 C GLY A 79 13.634 28.475 -18.855 1.00 0.00 C ATOM 1200 O GLY A 79 13.912 28.028 -19.966 1.00 0.00 O ATOM 0 H GLY A 79 12.417 30.810 -17.230 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.264 30.531 -19.302 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.854 30.215 -18.636 1.00 0.00 H new ATOM 1204 N ARG A 80 13.188 27.725 -17.892 1.00 0.00 N ATOM 1205 CA ARG A 80 12.997 26.295 -18.041 1.00 0.00 C ATOM 1206 C ARG A 80 11.730 25.865 -17.347 1.00 0.00 C ATOM 1207 O ARG A 80 11.176 26.605 -16.554 1.00 0.00 O ATOM 1208 CB ARG A 80 14.158 25.547 -17.417 1.00 0.00 C ATOM 1209 CG ARG A 80 14.485 26.077 -16.050 1.00 0.00 C ATOM 1210 CD ARG A 80 14.930 25.013 -15.108 1.00 0.00 C ATOM 1211 NE ARG A 80 13.867 24.086 -14.743 1.00 0.00 N ATOM 1212 CZ ARG A 80 12.992 24.300 -13.738 1.00 0.00 C ATOM 1213 NH1 ARG A 80 12.721 25.529 -13.313 1.00 0.00 N1+ ATOM 1214 NH2 ARG A 80 12.351 23.292 -13.215 1.00 0.00 N ATOM 0 H ARG A 80 12.941 28.082 -16.969 1.00 0.00 H new ATOM 0 HA ARG A 80 12.935 26.069 -19.105 1.00 0.00 H new ATOM 0 HB2 ARG A 80 13.914 24.487 -17.348 1.00 0.00 H new ATOM 0 HB3 ARG A 80 15.034 25.631 -18.060 1.00 0.00 H new ATOM 0 HG2 ARG A 80 15.268 26.830 -16.136 1.00 0.00 H new ATOM 0 HG3 ARG A 80 13.607 26.575 -15.639 1.00 0.00 H new ATOM 0 HD2 ARG A 80 15.749 24.455 -15.561 1.00 0.00 H new ATOM 0 HD3 ARG A 80 15.323 25.479 -14.204 1.00 0.00 H new ATOM 0 HE ARG A 80 13.779 23.223 -15.279 1.00 0.00 H new ATOM 0 HH11 ARG A 80 13.177 26.331 -13.748 1.00 0.00 H new ATOM 0 HH12 ARG A 80 12.057 25.671 -12.552 1.00 0.00 H new ATOM 0 HH21 ARG A 80 12.512 22.348 -13.566 1.00 0.00 H new ATOM 0 HH22 ARG A 80 11.689 23.448 -12.455 1.00 0.00 H new ATOM 1228 N ALA A 81 11.301 24.682 -17.620 1.00 0.00 N ATOM 1229 CA ALA A 81 10.128 24.130 -17.017 1.00 0.00 C ATOM 1230 C ALA A 81 10.511 22.883 -16.256 1.00 0.00 C ATOM 1231 O ALA A 81 11.568 22.282 -16.535 1.00 0.00 O ATOM 1232 CB ALA A 81 9.098 23.807 -18.086 1.00 0.00 C ATOM 0 H ALA A 81 11.761 24.056 -18.281 1.00 0.00 H new ATOM 0 HA ALA A 81 9.689 24.852 -16.329 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.208 23.387 -17.618 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.831 24.718 -18.621 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.515 23.084 -18.787 1.00 0.00 H new ATOM 1238 N LEU A 82 9.723 22.512 -15.283 1.00 0.00 N ATOM 1239 CA LEU A 82 9.980 21.287 -14.559 1.00 0.00 C ATOM 1240 C LEU A 82 9.208 20.104 -15.102 1.00 0.00 C ATOM 1241 O LEU A 82 8.104 20.254 -15.650 1.00 0.00 O ATOM 1242 CB LEU A 82 9.870 21.442 -13.015 1.00 0.00 C ATOM 1243 CG LEU A 82 8.710 22.270 -12.438 1.00 0.00 C ATOM 1244 CD1 LEU A 82 7.376 21.616 -12.680 1.00 0.00 C ATOM 1245 CD2 LEU A 82 8.923 22.512 -10.953 1.00 0.00 C ATOM 0 H LEU A 82 8.903 23.033 -14.972 1.00 0.00 H new ATOM 0 HA LEU A 82 11.030 21.058 -14.743 1.00 0.00 H new ATOM 0 HB2 LEU A 82 9.808 20.442 -12.586 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.801 21.884 -12.660 1.00 0.00 H new ATOM 0 HG LEU A 82 8.700 23.228 -12.958 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.585 22.235 -12.256 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.214 21.505 -13.752 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.361 20.634 -12.207 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.094 23.099 -10.558 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.971 21.556 -10.432 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.856 23.055 -10.803 1.00 0.00 H new ATOM 1257 N LYS A 83 9.829 18.965 -14.981 1.00 0.00 N ATOM 1258 CA LYS A 83 9.322 17.692 -15.429 1.00 0.00 C ATOM 1259 C LYS A 83 8.911 16.884 -14.222 1.00 0.00 C ATOM 1260 O LYS A 83 9.630 16.863 -13.244 1.00 0.00 O ATOM 1261 CB LYS A 83 10.468 16.962 -16.183 1.00 0.00 C ATOM 1262 CG LYS A 83 10.249 15.477 -16.489 1.00 0.00 C ATOM 1263 CD LYS A 83 9.034 15.246 -17.361 1.00 0.00 C ATOM 1264 CE LYS A 83 8.805 13.769 -17.644 1.00 0.00 C ATOM 1265 NZ LYS A 83 7.611 13.550 -18.489 1.00 0.00 N1+ ATOM 0 H LYS A 83 10.749 18.892 -14.546 1.00 0.00 H new ATOM 0 HA LYS A 83 8.462 17.820 -16.087 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.642 17.482 -17.125 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.380 17.058 -15.593 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.132 15.076 -16.986 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.133 14.928 -15.554 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.153 15.662 -16.872 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.158 15.780 -18.303 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.682 13.354 -18.140 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.687 13.233 -16.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.489 12.531 -18.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.770 13.924 -18.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.734 14.041 -19.398 1.00 0.00 H new ATOM 1279 N ILE A 84 7.765 16.258 -14.271 1.00 0.00 N ATOM 1280 CA ILE A 84 7.363 15.373 -13.200 1.00 0.00 C ATOM 1281 C ILE A 84 7.054 14.011 -13.820 1.00 0.00 C ATOM 1282 O ILE A 84 6.624 13.950 -14.980 1.00 0.00 O ATOM 1283 CB ILE A 84 6.115 15.863 -12.357 1.00 0.00 C ATOM 1284 CG1 ILE A 84 6.245 17.302 -11.853 1.00 0.00 C ATOM 1285 CG2 ILE A 84 5.895 14.968 -11.153 1.00 0.00 C ATOM 1286 CD1 ILE A 84 5.831 18.338 -12.852 1.00 0.00 C ATOM 0 H ILE A 84 7.094 16.341 -15.035 1.00 0.00 H new ATOM 0 HA ILE A 84 8.188 15.338 -12.489 1.00 0.00 H new ATOM 0 HB ILE A 84 5.270 15.816 -13.044 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.640 17.417 -10.954 1.00 0.00 H new ATOM 0 HG13 ILE A 84 7.281 17.483 -11.565 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.033 15.323 -10.588 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.714 13.946 -11.487 1.00 0.00 H new ATOM 0 HG23 ILE A 84 6.780 14.990 -10.517 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.953 19.331 -12.418 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.452 18.253 -13.743 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.786 18.186 -13.122 1.00 0.00 H new ATOM 1298 N ASP A 85 7.314 12.947 -13.086 1.00 0.00 N ATOM 1299 CA ASP A 85 7.053 11.580 -13.532 1.00 0.00 C ATOM 1300 C ASP A 85 6.949 10.725 -12.258 1.00 0.00 C ATOM 1301 O ASP A 85 7.125 11.263 -11.180 1.00 0.00 O ATOM 1302 CB ASP A 85 8.227 11.108 -14.406 1.00 0.00 C ATOM 1303 CG ASP A 85 7.905 9.917 -15.270 1.00 0.00 C ATOM 1304 OD1 ASP A 85 7.943 8.779 -14.783 1.00 0.00 O1- ATOM 1305 OD2 ASP A 85 7.655 10.097 -16.483 1.00 0.00 O ATOM 0 H ASP A 85 7.717 13.001 -12.151 1.00 0.00 H new ATOM 0 HA ASP A 85 6.140 11.504 -14.122 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.546 11.932 -15.044 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.070 10.859 -13.761 1.00 0.00 H new ATOM 1310 N HIS A 86 6.685 9.439 -12.353 1.00 0.00 N ATOM 1311 CA HIS A 86 6.594 8.587 -11.148 1.00 0.00 C ATOM 1312 C HIS A 86 7.823 7.702 -11.009 1.00 0.00 C ATOM 1313 O HIS A 86 8.175 6.967 -11.925 1.00 0.00 O ATOM 1314 CB HIS A 86 5.337 7.713 -11.141 1.00 0.00 C ATOM 1315 CG HIS A 86 4.042 8.439 -10.893 1.00 0.00 C ATOM 1316 ND1 HIS A 86 3.353 8.385 -9.698 1.00 0.00 N ATOM 1317 CD2 HIS A 86 3.278 9.192 -11.725 1.00 0.00 C ATOM 1318 CE1 HIS A 86 2.223 9.080 -9.838 1.00 0.00 C ATOM 1319 NE2 HIS A 86 2.128 9.592 -11.051 1.00 0.00 N ATOM 0 H HIS A 86 6.529 8.949 -13.234 1.00 0.00 H new ATOM 0 HA HIS A 86 6.537 9.268 -10.299 1.00 0.00 H new ATOM 0 HB2 HIS A 86 5.267 7.200 -12.100 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.454 6.945 -10.377 1.00 0.00 H new ATOM 0 HD1 HIS A 86 3.655 7.898 -8.854 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.523 9.441 -12.747 1.00 0.00 H new ATOM 0 HE1 HIS A 86 1.483 9.207 -9.061 1.00 0.00 H new ATOM 1327 N THR A 87 8.438 7.731 -9.861 1.00 0.00 N ATOM 1328 CA THR A 87 9.664 7.016 -9.627 1.00 0.00 C ATOM 1329 C THR A 87 9.648 6.414 -8.216 1.00 0.00 C ATOM 1330 O THR A 87 8.805 6.772 -7.397 1.00 0.00 O ATOM 1331 CB THR A 87 10.899 7.963 -9.803 1.00 0.00 C ATOM 1332 OG1 THR A 87 12.126 7.216 -9.749 1.00 0.00 O ATOM 1333 CG2 THR A 87 10.927 9.045 -8.725 1.00 0.00 C ATOM 0 H THR A 87 8.101 8.255 -9.053 1.00 0.00 H new ATOM 0 HA THR A 87 9.748 6.212 -10.358 1.00 0.00 H new ATOM 0 HB THR A 87 10.804 8.438 -10.780 1.00 0.00 H new ATOM 0 HG1 THR A 87 12.885 7.825 -9.863 1.00 0.00 H new ATOM 0 HG21 THR A 87 11.796 9.686 -8.875 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.019 9.645 -8.788 1.00 0.00 H new ATOM 0 HG23 THR A 87 10.986 8.578 -7.742 1.00 0.00 H new ATOM 1341 N PHE A 88 10.498 5.451 -7.969 1.00 0.00 N ATOM 1342 CA PHE A 88 10.624 4.892 -6.653 1.00 0.00 C ATOM 1343 C PHE A 88 12.075 4.514 -6.439 1.00 0.00 C ATOM 1344 O PHE A 88 12.718 3.989 -7.354 1.00 0.00 O ATOM 1345 CB PHE A 88 9.711 3.673 -6.474 1.00 0.00 C ATOM 1346 CG PHE A 88 9.579 3.241 -5.043 1.00 0.00 C ATOM 1347 CD1 PHE A 88 8.655 3.860 -4.215 1.00 0.00 C ATOM 1348 CD2 PHE A 88 10.372 2.233 -4.520 1.00 0.00 C ATOM 1349 CE1 PHE A 88 8.525 3.485 -2.896 1.00 0.00 C ATOM 1350 CE2 PHE A 88 10.246 1.852 -3.201 1.00 0.00 C ATOM 1351 CZ PHE A 88 9.320 2.481 -2.387 1.00 0.00 C ATOM 0 H PHE A 88 11.115 5.037 -8.668 1.00 0.00 H new ATOM 0 HA PHE A 88 10.315 5.629 -5.912 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.722 3.906 -6.870 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.103 2.844 -7.063 1.00 0.00 H new ATOM 0 HD1 PHE A 88 8.029 4.647 -4.609 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.096 1.741 -5.152 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.802 3.977 -2.262 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.869 1.064 -2.804 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.221 2.185 -1.353 1.00 0.00 H new ATOM 1361 N TYR A 89 12.606 4.837 -5.284 1.00 0.00 N ATOM 1362 CA TYR A 89 13.970 4.510 -4.952 1.00 0.00 C ATOM 1363 C TYR A 89 14.045 4.332 -3.450 1.00 0.00 C ATOM 1364 O TYR A 89 13.148 4.791 -2.735 1.00 0.00 O ATOM 1365 CB TYR A 89 14.947 5.632 -5.408 1.00 0.00 C ATOM 1366 CG TYR A 89 15.029 6.855 -4.495 1.00 0.00 C ATOM 1367 CD1 TYR A 89 13.973 7.756 -4.363 1.00 0.00 C ATOM 1368 CD2 TYR A 89 16.176 7.084 -3.746 1.00 0.00 C ATOM 1369 CE1 TYR A 89 14.076 8.847 -3.511 1.00 0.00 C ATOM 1370 CE2 TYR A 89 16.280 8.158 -2.900 1.00 0.00 C ATOM 1371 CZ TYR A 89 15.237 9.033 -2.781 1.00 0.00 C ATOM 1372 OH TYR A 89 15.352 10.096 -1.925 1.00 0.00 O ATOM 0 H TYR A 89 12.104 5.334 -4.548 1.00 0.00 H new ATOM 0 HA TYR A 89 14.266 3.596 -5.467 1.00 0.00 H new ATOM 0 HB2 TYR A 89 15.945 5.203 -5.500 1.00 0.00 H new ATOM 0 HB3 TYR A 89 14.650 5.964 -6.403 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.066 7.603 -4.929 1.00 0.00 H new ATOM 0 HD2 TYR A 89 17.007 6.399 -3.832 1.00 0.00 H new ATOM 0 HE1 TYR A 89 13.257 9.545 -3.419 1.00 0.00 H new ATOM 0 HE2 TYR A 89 17.184 8.312 -2.329 1.00 0.00 H new ATOM 0 HH TYR A 89 16.135 9.969 -1.349 1.00 0.00 H new ATOM 1382 N ARG A 90 15.060 3.666 -2.978 1.00 0.00 N ATOM 1383 CA ARG A 90 15.279 3.543 -1.558 1.00 0.00 C ATOM 1384 C ARG A 90 16.169 4.683 -1.086 1.00 0.00 C ATOM 1385 O ARG A 90 17.262 4.872 -1.629 1.00 0.00 O ATOM 1386 CB ARG A 90 15.921 2.196 -1.203 1.00 0.00 C ATOM 1387 CG ARG A 90 15.020 0.988 -1.404 1.00 0.00 C ATOM 1388 CD ARG A 90 13.796 1.047 -0.500 1.00 0.00 C ATOM 1389 NE ARG A 90 14.162 1.159 0.922 1.00 0.00 N ATOM 1390 CZ ARG A 90 13.286 1.279 1.935 1.00 0.00 C ATOM 1391 NH1 ARG A 90 11.969 1.185 1.709 1.00 0.00 N1+ ATOM 1392 NH2 ARG A 90 13.730 1.467 3.172 1.00 0.00 N ATOM 0 H ARG A 90 15.755 3.196 -3.557 1.00 0.00 H new ATOM 0 HA ARG A 90 14.313 3.592 -1.056 1.00 0.00 H new ATOM 0 HB2 ARG A 90 16.819 2.067 -1.808 1.00 0.00 H new ATOM 0 HB3 ARG A 90 16.240 2.225 -0.161 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.702 0.939 -2.445 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.581 0.076 -1.199 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.178 1.899 -0.783 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.192 0.152 -0.649 1.00 0.00 H new ATOM 0 HE ARG A 90 15.155 1.144 1.156 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.624 1.021 0.763 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.311 1.277 2.483 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.733 1.520 3.351 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.068 1.558 3.943 1.00 0.00 H new ATOM 1406 N PRO A 91 15.700 5.486 -0.117 1.00 0.00 N ATOM 1407 CA PRO A 91 16.487 6.586 0.444 1.00 0.00 C ATOM 1408 C PRO A 91 17.722 6.052 1.168 1.00 0.00 C ATOM 1409 O PRO A 91 17.682 4.956 1.745 1.00 0.00 O ATOM 1410 CB PRO A 91 15.524 7.260 1.436 1.00 0.00 C ATOM 1411 CG PRO A 91 14.460 6.259 1.710 1.00 0.00 C ATOM 1412 CD PRO A 91 14.357 5.396 0.494 1.00 0.00 C ATOM 0 HA PRO A 91 16.855 7.273 -0.318 1.00 0.00 H new ATOM 0 HB2 PRO A 91 16.041 7.542 2.353 1.00 0.00 H new ATOM 0 HB3 PRO A 91 15.103 8.173 1.014 1.00 0.00 H new ATOM 0 HG2 PRO A 91 14.707 5.662 2.588 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.510 6.751 1.917 1.00 0.00 H new ATOM 0 HD2 PRO A 91 14.104 4.368 0.753 1.00 0.00 H new ATOM 0 HD3 PRO A 91 13.583 5.753 -0.186 1.00 0.00 H new ATOM 1420 N LYS A 92 18.805 6.800 1.139 1.00 0.00 N ATOM 1421 CA LYS A 92 20.052 6.338 1.736 1.00 0.00 C ATOM 1422 C LYS A 92 20.008 6.517 3.252 1.00 0.00 C ATOM 1423 O LYS A 92 19.601 7.572 3.736 1.00 0.00 O ATOM 1424 CB LYS A 92 21.226 7.152 1.168 1.00 0.00 C ATOM 1425 CG LYS A 92 21.399 7.058 -0.347 1.00 0.00 C ATOM 1426 CD LYS A 92 22.577 7.901 -0.846 1.00 0.00 C ATOM 1427 CE LYS A 92 23.922 7.449 -0.257 1.00 0.00 C ATOM 1428 NZ LYS A 92 24.269 6.052 -0.608 1.00 0.00 N1+ ATOM 0 H LYS A 92 18.853 7.725 0.713 1.00 0.00 H new ATOM 0 HA LYS A 92 20.184 5.282 1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 92 21.089 8.199 1.439 1.00 0.00 H new ATOM 0 HB3 LYS A 92 22.147 6.817 1.646 1.00 0.00 H new ATOM 0 HG2 LYS A 92 21.553 6.017 -0.630 1.00 0.00 H new ATOM 0 HG3 LYS A 92 20.483 7.389 -0.837 1.00 0.00 H new ATOM 0 HD2 LYS A 92 22.624 7.844 -1.934 1.00 0.00 H new ATOM 0 HD3 LYS A 92 22.405 8.946 -0.588 1.00 0.00 H new ATOM 0 HE2 LYS A 92 24.710 8.113 -0.613 1.00 0.00 H new ATOM 0 HE3 LYS A 92 23.888 7.547 0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 25.229 5.837 -0.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 23.591 5.403 -0.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 24.231 5.934 -1.641 1.00 0.00 H new ATOM 1442 N ARG A 93 20.486 5.525 4.000 1.00 0.00 N ATOM 1443 CA ARG A 93 20.470 5.623 5.452 1.00 0.00 C ATOM 1444 C ARG A 93 21.632 6.449 5.954 1.00 0.00 C ATOM 1445 O ARG A 93 21.562 7.060 6.992 1.00 0.00 O ATOM 1446 CB ARG A 93 20.355 4.239 6.169 1.00 0.00 C ATOM 1447 CG ARG A 93 21.552 3.269 6.075 1.00 0.00 C ATOM 1448 CD ARG A 93 22.695 3.660 7.011 1.00 0.00 C ATOM 1449 NE ARG A 93 22.250 3.738 8.416 1.00 0.00 N ATOM 1450 CZ ARG A 93 22.767 4.570 9.347 1.00 0.00 C ATOM 1451 NH1 ARG A 93 23.745 5.413 9.033 1.00 0.00 N1+ ATOM 1452 NH2 ARG A 93 22.310 4.549 10.590 1.00 0.00 N ATOM 0 H ARG A 93 20.882 4.660 3.631 1.00 0.00 H new ATOM 0 HA ARG A 93 19.554 6.150 5.720 1.00 0.00 H new ATOM 0 HB2 ARG A 93 20.160 4.426 7.225 1.00 0.00 H new ATOM 0 HB3 ARG A 93 19.480 3.728 5.768 1.00 0.00 H new ATOM 0 HG2 ARG A 93 21.218 2.260 6.316 1.00 0.00 H new ATOM 0 HG3 ARG A 93 21.918 3.247 5.049 1.00 0.00 H new ATOM 0 HD2 ARG A 93 23.501 2.931 6.925 1.00 0.00 H new ATOM 0 HD3 ARG A 93 23.102 4.623 6.705 1.00 0.00 H new ATOM 0 HE ARG A 93 21.495 3.117 8.706 1.00 0.00 H new ATOM 0 HH11 ARG A 93 24.112 5.436 8.082 1.00 0.00 H new ATOM 0 HH12 ARG A 93 24.128 6.037 9.743 1.00 0.00 H new ATOM 0 HH21 ARG A 93 21.564 3.903 10.848 1.00 0.00 H new ATOM 0 HH22 ARG A 93 22.704 5.179 11.289 1.00 0.00 H new ATOM 1466 N SER A 94 22.706 6.474 5.197 1.00 0.00 N ATOM 1467 CA SER A 94 23.863 7.261 5.570 1.00 0.00 C ATOM 1468 C SER A 94 23.561 8.736 5.379 1.00 0.00 C ATOM 1469 O SER A 94 24.173 9.602 5.989 1.00 0.00 O ATOM 1470 CB SER A 94 25.060 6.853 4.729 1.00 0.00 C ATOM 1471 OG SER A 94 25.258 5.443 4.790 1.00 0.00 O ATOM 0 H SER A 94 22.804 5.960 4.321 1.00 0.00 H new ATOM 0 HA SER A 94 24.098 7.082 6.619 1.00 0.00 H new ATOM 0 HB2 SER A 94 24.906 7.160 3.694 1.00 0.00 H new ATOM 0 HB3 SER A 94 25.953 7.367 5.084 1.00 0.00 H new ATOM 0 HG SER A 94 26.032 5.197 4.241 1.00 0.00 H new ATOM 1477 N LEU A 95 22.561 9.003 4.588 1.00 0.00 N ATOM 1478 CA LEU A 95 22.208 10.343 4.281 1.00 0.00 C ATOM 1479 C LEU A 95 20.937 10.709 5.045 1.00 0.00 C ATOM 1480 O LEU A 95 20.319 11.756 4.791 1.00 0.00 O ATOM 1481 CB LEU A 95 22.002 10.463 2.773 1.00 0.00 C ATOM 1482 CG LEU A 95 21.959 11.869 2.202 1.00 0.00 C ATOM 1483 CD1 LEU A 95 23.281 12.555 2.450 1.00 0.00 C ATOM 1484 CD2 LEU A 95 21.641 11.829 0.716 1.00 0.00 C ATOM 0 H LEU A 95 21.975 8.296 4.144 1.00 0.00 H new ATOM 0 HA LEU A 95 22.998 11.032 4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 95 22.804 9.918 2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 95 21.069 9.962 2.516 1.00 0.00 H new ATOM 0 HG LEU A 95 21.170 12.435 2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 95 23.250 13.564 2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 95 23.470 12.605 3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 95 24.079 11.992 1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 95 21.614 12.845 0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 95 22.409 11.258 0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 95 20.671 11.355 0.564 1.00 0.00 H new ATOM 1496 N GLN A 96 20.593 9.860 6.036 1.00 0.00 N ATOM 1497 CA GLN A 96 19.362 9.988 6.833 1.00 0.00 C ATOM 1498 C GLN A 96 19.195 11.378 7.413 1.00 0.00 C ATOM 1499 O GLN A 96 18.090 11.891 7.468 1.00 0.00 O ATOM 1500 CB GLN A 96 19.310 8.963 7.979 1.00 0.00 C ATOM 1501 CG GLN A 96 20.379 9.156 9.050 1.00 0.00 C ATOM 1502 CD GLN A 96 20.169 8.275 10.245 1.00 0.00 C ATOM 1503 OE1 GLN A 96 20.675 7.164 10.317 1.00 0.00 O ATOM 1504 NE2 GLN A 96 19.405 8.750 11.186 1.00 0.00 N ATOM 0 H GLN A 96 21.168 9.062 6.305 1.00 0.00 H new ATOM 0 HA GLN A 96 18.543 9.794 6.140 1.00 0.00 H new ATOM 0 HB2 GLN A 96 18.328 9.013 8.450 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.411 7.962 7.559 1.00 0.00 H new ATOM 0 HG2 GLN A 96 21.359 8.950 8.620 1.00 0.00 H new ATOM 0 HG3 GLN A 96 20.384 10.198 9.369 1.00 0.00 H new ATOM 0 HE21 GLN A 96 19.000 9.681 11.092 1.00 0.00 H new ATOM 0 HE22 GLN A 96 19.212 8.191 12.017 1.00 0.00 H new ATOM 1513 N LYS A 97 20.317 12.004 7.791 1.00 0.00 N ATOM 1514 CA LYS A 97 20.301 13.315 8.428 1.00 0.00 C ATOM 1515 C LYS A 97 19.717 14.372 7.531 1.00 0.00 C ATOM 1516 O LYS A 97 19.105 15.310 8.006 1.00 0.00 O ATOM 1517 CB LYS A 97 21.692 13.730 8.904 1.00 0.00 C ATOM 1518 CG LYS A 97 22.320 12.770 9.900 1.00 0.00 C ATOM 1519 CD LYS A 97 21.443 12.520 11.131 1.00 0.00 C ATOM 1520 CE LYS A 97 21.153 13.791 11.925 1.00 0.00 C ATOM 1521 NZ LYS A 97 20.348 13.501 13.132 1.00 0.00 N1+ ATOM 0 H LYS A 97 21.251 11.615 7.663 1.00 0.00 H new ATOM 0 HA LYS A 97 19.655 13.224 9.302 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.349 13.819 8.039 1.00 0.00 H new ATOM 0 HB3 LYS A 97 21.628 14.718 9.359 1.00 0.00 H new ATOM 0 HG2 LYS A 97 22.518 11.820 9.404 1.00 0.00 H new ATOM 0 HG3 LYS A 97 23.282 13.168 10.222 1.00 0.00 H new ATOM 0 HD2 LYS A 97 20.501 12.073 10.814 1.00 0.00 H new ATOM 0 HD3 LYS A 97 21.936 11.797 11.781 1.00 0.00 H new ATOM 0 HE2 LYS A 97 22.092 14.262 12.216 1.00 0.00 H new ATOM 0 HE3 LYS A 97 20.622 14.503 11.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 20.553 14.210 13.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.337 13.534 12.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 20.588 12.554 13.490 1.00 0.00 H new ATOM 1535 N TYR A 98 19.888 14.211 6.235 1.00 0.00 N ATOM 1536 CA TYR A 98 19.328 15.146 5.298 1.00 0.00 C ATOM 1537 C TYR A 98 17.819 14.930 5.241 1.00 0.00 C ATOM 1538 O TYR A 98 17.059 15.868 5.350 1.00 0.00 O ATOM 1539 CB TYR A 98 19.983 14.986 3.903 1.00 0.00 C ATOM 1540 CG TYR A 98 19.439 15.917 2.827 1.00 0.00 C ATOM 1541 CD1 TYR A 98 19.990 17.174 2.628 1.00 0.00 C ATOM 1542 CD2 TYR A 98 18.372 15.535 2.016 1.00 0.00 C ATOM 1543 CE1 TYR A 98 19.494 18.027 1.658 1.00 0.00 C ATOM 1544 CE2 TYR A 98 17.875 16.382 1.043 1.00 0.00 C ATOM 1545 CZ TYR A 98 18.438 17.624 0.869 1.00 0.00 C ATOM 1546 OH TYR A 98 17.930 18.474 -0.084 1.00 0.00 O ATOM 0 H TYR A 98 20.409 13.442 5.813 1.00 0.00 H new ATOM 0 HA TYR A 98 19.530 16.166 5.624 1.00 0.00 H new ATOM 0 HB2 TYR A 98 21.055 15.155 4.000 1.00 0.00 H new ATOM 0 HB3 TYR A 98 19.851 13.956 3.572 1.00 0.00 H new ATOM 0 HD1 TYR A 98 20.820 17.493 3.241 1.00 0.00 H new ATOM 0 HD2 TYR A 98 17.926 14.561 2.150 1.00 0.00 H new ATOM 0 HE1 TYR A 98 19.932 19.004 1.520 1.00 0.00 H new ATOM 0 HE2 TYR A 98 17.048 16.069 0.422 1.00 0.00 H new ATOM 0 HH TYR A 98 17.866 18.004 -0.941 1.00 0.00 H new ATOM 1556 N TYR A 99 17.421 13.670 5.163 1.00 0.00 N ATOM 1557 CA TYR A 99 16.010 13.277 5.060 1.00 0.00 C ATOM 1558 C TYR A 99 15.217 13.698 6.288 1.00 0.00 C ATOM 1559 O TYR A 99 14.143 14.300 6.174 1.00 0.00 O ATOM 1560 CB TYR A 99 15.880 11.766 4.881 1.00 0.00 C ATOM 1561 CG TYR A 99 16.440 11.223 3.580 1.00 0.00 C ATOM 1562 CD1 TYR A 99 15.699 11.272 2.414 1.00 0.00 C ATOM 1563 CD2 TYR A 99 17.692 10.643 3.523 1.00 0.00 C ATOM 1564 CE1 TYR A 99 16.192 10.755 1.230 1.00 0.00 C ATOM 1565 CE2 TYR A 99 18.191 10.133 2.346 1.00 0.00 C ATOM 1566 CZ TYR A 99 17.439 10.185 1.207 1.00 0.00 C ATOM 1567 OH TYR A 99 17.937 9.656 0.034 1.00 0.00 O ATOM 0 H TYR A 99 18.066 12.880 5.169 1.00 0.00 H new ATOM 0 HA TYR A 99 15.603 13.788 4.187 1.00 0.00 H new ATOM 0 HB2 TYR A 99 16.386 11.272 5.711 1.00 0.00 H new ATOM 0 HB3 TYR A 99 14.826 11.497 4.945 1.00 0.00 H new ATOM 0 HD1 TYR A 99 14.717 11.722 2.428 1.00 0.00 H new ATOM 0 HD2 TYR A 99 18.291 10.589 4.420 1.00 0.00 H new ATOM 0 HE1 TYR A 99 15.598 10.800 0.329 1.00 0.00 H new ATOM 0 HE2 TYR A 99 19.177 9.692 2.323 1.00 0.00 H new ATOM 0 HH TYR A 99 18.914 9.730 0.031 1.00 0.00 H new ATOM 1577 N GLU A 100 15.742 13.383 7.458 1.00 0.00 N ATOM 1578 CA GLU A 100 15.072 13.727 8.695 1.00 0.00 C ATOM 1579 C GLU A 100 15.010 15.234 8.896 1.00 0.00 C ATOM 1580 O GLU A 100 13.969 15.758 9.256 1.00 0.00 O ATOM 1581 CB GLU A 100 15.672 12.996 9.902 1.00 0.00 C ATOM 1582 CG GLU A 100 17.159 13.174 10.064 1.00 0.00 C ATOM 1583 CD GLU A 100 17.718 12.389 11.208 1.00 0.00 C ATOM 1584 OE1 GLU A 100 18.014 11.185 11.022 1.00 0.00 O1- ATOM 1585 OE2 GLU A 100 17.886 12.953 12.303 1.00 0.00 O ATOM 0 H GLU A 100 16.628 12.891 7.576 1.00 0.00 H new ATOM 0 HA GLU A 100 14.043 13.378 8.613 1.00 0.00 H new ATOM 0 HB2 GLU A 100 15.176 13.347 10.807 1.00 0.00 H new ATOM 0 HB3 GLU A 100 15.454 11.932 9.812 1.00 0.00 H new ATOM 0 HG2 GLU A 100 17.658 12.871 9.144 1.00 0.00 H new ATOM 0 HG3 GLU A 100 17.379 14.231 10.213 1.00 0.00 H new ATOM 1592 N ALA A 101 16.105 15.937 8.582 1.00 0.00 N ATOM 1593 CA ALA A 101 16.143 17.398 8.702 1.00 0.00 C ATOM 1594 C ALA A 101 15.132 18.031 7.748 1.00 0.00 C ATOM 1595 O ALA A 101 14.552 19.084 8.037 1.00 0.00 O ATOM 1596 CB ALA A 101 17.543 17.927 8.426 1.00 0.00 C ATOM 0 H ALA A 101 16.972 15.519 8.245 1.00 0.00 H new ATOM 0 HA ALA A 101 15.876 17.668 9.724 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.547 19.013 8.521 1.00 0.00 H new ATOM 0 HB2 ALA A 101 18.242 17.498 9.144 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.844 17.650 7.416 1.00 0.00 H new ATOM 1602 N VAL A 102 14.927 17.379 6.618 1.00 0.00 N ATOM 1603 CA VAL A 102 13.933 17.792 5.656 1.00 0.00 C ATOM 1604 C VAL A 102 12.525 17.627 6.231 1.00 0.00 C ATOM 1605 O VAL A 102 11.741 18.591 6.267 1.00 0.00 O ATOM 1606 CB VAL A 102 14.061 17.009 4.306 1.00 0.00 C ATOM 1607 CG1 VAL A 102 12.815 17.158 3.462 1.00 0.00 C ATOM 1608 CG2 VAL A 102 15.249 17.509 3.506 1.00 0.00 C ATOM 0 H VAL A 102 15.449 16.546 6.345 1.00 0.00 H new ATOM 0 HA VAL A 102 14.110 18.846 5.444 1.00 0.00 H new ATOM 0 HB VAL A 102 14.200 15.958 4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.937 16.602 2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.957 16.767 4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 102 12.652 18.212 3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 102 15.319 16.951 2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 102 15.120 18.569 3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 102 16.162 17.366 4.083 1.00 0.00 H new ATOM 1618 N LYS A 103 12.214 16.424 6.729 1.00 0.00 N ATOM 1619 CA LYS A 103 10.873 16.153 7.220 1.00 0.00 C ATOM 1620 C LYS A 103 10.547 17.004 8.430 1.00 0.00 C ATOM 1621 O LYS A 103 9.400 17.270 8.672 1.00 0.00 O ATOM 1622 CB LYS A 103 10.619 14.677 7.527 1.00 0.00 C ATOM 1623 CG LYS A 103 11.255 14.182 8.809 1.00 0.00 C ATOM 1624 CD LYS A 103 10.920 12.736 9.082 1.00 0.00 C ATOM 1625 CE LYS A 103 11.436 11.802 7.992 1.00 0.00 C ATOM 1626 NZ LYS A 103 11.081 10.404 8.269 1.00 0.00 N1+ ATOM 0 H LYS A 103 12.864 15.641 6.799 1.00 0.00 H new ATOM 0 HA LYS A 103 10.204 16.421 6.402 1.00 0.00 H new ATOM 0 HB2 LYS A 103 9.543 14.511 7.583 1.00 0.00 H new ATOM 0 HB3 LYS A 103 10.992 14.077 6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 103 12.337 14.298 8.746 1.00 0.00 H new ATOM 0 HG3 LYS A 103 10.916 14.797 9.643 1.00 0.00 H new ATOM 0 HD2 LYS A 103 11.348 12.442 10.041 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.839 12.627 9.168 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.021 12.100 7.029 1.00 0.00 H new ATOM 0 HE3 LYS A 103 12.519 11.895 7.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 11.447 9.796 7.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.498 10.113 9.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 10.046 10.312 8.318 1.00 0.00 H new ATOM 1640 N GLU A 104 11.576 17.438 9.175 1.00 0.00 N ATOM 1641 CA GLU A 104 11.397 18.347 10.313 1.00 0.00 C ATOM 1642 C GLU A 104 10.580 19.564 9.894 1.00 0.00 C ATOM 1643 O GLU A 104 9.716 20.024 10.626 1.00 0.00 O ATOM 1644 CB GLU A 104 12.754 18.819 10.860 1.00 0.00 C ATOM 1645 CG GLU A 104 13.585 17.745 11.535 1.00 0.00 C ATOM 1646 CD GLU A 104 12.958 17.234 12.804 1.00 0.00 C ATOM 1647 OE1 GLU A 104 12.140 16.298 12.749 1.00 0.00 O1- ATOM 1648 OE2 GLU A 104 13.284 17.765 13.887 1.00 0.00 O ATOM 0 H GLU A 104 12.546 17.171 9.006 1.00 0.00 H new ATOM 0 HA GLU A 104 10.869 17.800 11.095 1.00 0.00 H new ATOM 0 HB2 GLU A 104 13.332 19.241 10.038 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.580 19.624 11.574 1.00 0.00 H new ATOM 0 HG2 GLU A 104 13.726 16.914 10.844 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.574 18.145 11.759 1.00 0.00 H new ATOM 1655 N GLU A 105 10.857 20.059 8.706 1.00 0.00 N ATOM 1656 CA GLU A 105 10.177 21.211 8.146 1.00 0.00 C ATOM 1657 C GLU A 105 8.842 20.855 7.564 1.00 0.00 C ATOM 1658 O GLU A 105 7.872 21.589 7.722 1.00 0.00 O ATOM 1659 CB GLU A 105 11.021 21.838 7.062 1.00 0.00 C ATOM 1660 CG GLU A 105 12.186 22.595 7.592 1.00 0.00 C ATOM 1661 CD GLU A 105 11.718 23.714 8.465 1.00 0.00 C ATOM 1662 OE1 GLU A 105 11.100 24.665 7.925 1.00 0.00 O1- ATOM 1663 OE2 GLU A 105 11.884 23.635 9.702 1.00 0.00 O ATOM 0 H GLU A 105 11.571 19.667 8.092 1.00 0.00 H new ATOM 0 HA GLU A 105 10.021 21.913 8.965 1.00 0.00 H new ATOM 0 HB2 GLU A 105 11.378 21.057 6.391 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.400 22.509 6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 105 12.835 21.928 8.159 1.00 0.00 H new ATOM 0 HG3 GLU A 105 12.778 22.991 6.767 1.00 0.00 H new ATOM 1670 N LEU A 106 8.797 19.742 6.898 1.00 0.00 N ATOM 1671 CA LEU A 106 7.599 19.313 6.198 1.00 0.00 C ATOM 1672 C LEU A 106 6.530 18.951 7.195 1.00 0.00 C ATOM 1673 O LEU A 106 5.368 19.330 7.052 1.00 0.00 O ATOM 1674 CB LEU A 106 7.915 18.118 5.318 1.00 0.00 C ATOM 1675 CG LEU A 106 9.168 18.246 4.455 1.00 0.00 C ATOM 1676 CD1 LEU A 106 9.305 17.064 3.546 1.00 0.00 C ATOM 1677 CD2 LEU A 106 9.191 19.553 3.676 1.00 0.00 C ATOM 0 H LEU A 106 9.583 19.097 6.817 1.00 0.00 H new ATOM 0 HA LEU A 106 7.239 20.128 5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.022 17.239 5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.062 17.936 4.664 1.00 0.00 H new ATOM 0 HG LEU A 106 10.029 18.263 5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.204 17.174 2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.378 16.154 4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.433 17.003 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.099 19.603 3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.320 19.602 3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.170 20.392 4.372 1.00 0.00 H new ATOM 1689 N ASP A 107 6.953 18.280 8.247 1.00 0.00 N ATOM 1690 CA ASP A 107 6.080 17.847 9.318 1.00 0.00 C ATOM 1691 C ASP A 107 5.424 19.042 9.995 1.00 0.00 C ATOM 1692 O ASP A 107 4.325 18.935 10.478 1.00 0.00 O ATOM 1693 CB ASP A 107 6.852 16.957 10.322 1.00 0.00 C ATOM 1694 CG ASP A 107 6.014 16.462 11.476 1.00 0.00 C ATOM 1695 OD1 ASP A 107 5.130 15.608 11.262 1.00 0.00 O ATOM 1696 OD2 ASP A 107 6.275 16.871 12.633 1.00 0.00 O1- ATOM 0 H ASP A 107 7.929 18.016 8.384 1.00 0.00 H new ATOM 0 HA ASP A 107 5.280 17.239 8.896 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.262 16.099 9.790 1.00 0.00 H new ATOM 0 HB3 ASP A 107 7.697 17.521 10.716 1.00 0.00 H new ATOM 1701 N ARG A 108 6.071 20.216 9.920 1.00 0.00 N ATOM 1702 CA ARG A 108 5.522 21.445 10.514 1.00 0.00 C ATOM 1703 C ARG A 108 4.295 21.926 9.750 1.00 0.00 C ATOM 1704 O ARG A 108 3.476 22.674 10.287 1.00 0.00 O ATOM 1705 CB ARG A 108 6.539 22.597 10.548 1.00 0.00 C ATOM 1706 CG ARG A 108 7.840 22.311 11.274 1.00 0.00 C ATOM 1707 CD ARG A 108 7.613 21.702 12.636 1.00 0.00 C ATOM 1708 NE ARG A 108 6.752 22.514 13.491 1.00 0.00 N ATOM 1709 CZ ARG A 108 6.240 22.104 14.656 1.00 0.00 C ATOM 1710 NH1 ARG A 108 6.504 20.869 15.112 1.00 0.00 N1+ ATOM 1711 NH2 ARG A 108 5.459 22.920 15.352 1.00 0.00 N ATOM 0 H ARG A 108 6.971 20.340 9.456 1.00 0.00 H new ATOM 0 HA ARG A 108 5.256 21.179 11.537 1.00 0.00 H new ATOM 0 HB2 ARG A 108 6.773 22.880 9.522 1.00 0.00 H new ATOM 0 HB3 ARG A 108 6.066 23.460 11.017 1.00 0.00 H new ATOM 0 HG2 ARG A 108 8.448 21.635 10.673 1.00 0.00 H new ATOM 0 HG3 ARG A 108 8.405 23.237 11.382 1.00 0.00 H new ATOM 0 HD2 ARG A 108 7.168 20.714 12.516 1.00 0.00 H new ATOM 0 HD3 ARG A 108 8.575 21.561 13.129 1.00 0.00 H new ATOM 0 HE ARG A 108 6.526 23.458 13.178 1.00 0.00 H new ATOM 0 HH11 ARG A 108 7.097 20.241 14.569 1.00 0.00 H new ATOM 0 HH12 ARG A 108 6.112 20.559 16.001 1.00 0.00 H new ATOM 0 HH21 ARG A 108 5.252 23.854 14.998 1.00 0.00 H new ATOM 0 HH22 ARG A 108 5.065 22.613 16.242 1.00 0.00 H new ATOM 1725 N ASP A 109 4.178 21.529 8.500 1.00 0.00 N ATOM 1726 CA ASP A 109 3.039 21.944 7.693 1.00 0.00 C ATOM 1727 C ASP A 109 1.940 20.902 7.845 1.00 0.00 C ATOM 1728 O ASP A 109 0.751 21.216 7.802 1.00 0.00 O ATOM 1729 CB ASP A 109 3.439 22.101 6.210 1.00 0.00 C ATOM 1730 CG ASP A 109 2.502 23.021 5.420 1.00 0.00 C ATOM 1731 OD1 ASP A 109 1.430 22.594 4.972 1.00 0.00 O1- ATOM 1732 OD2 ASP A 109 2.847 24.215 5.240 1.00 0.00 O ATOM 0 H ASP A 109 4.847 20.926 8.021 1.00 0.00 H new ATOM 0 HA ASP A 109 2.682 22.915 8.036 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.454 22.495 6.155 1.00 0.00 H new ATOM 0 HB3 ASP A 109 3.453 21.118 5.739 1.00 0.00 H new ATOM 1737 N ILE A 110 2.359 19.668 8.102 1.00 0.00 N ATOM 1738 CA ILE A 110 1.451 18.527 8.259 1.00 0.00 C ATOM 1739 C ILE A 110 0.782 18.555 9.633 1.00 0.00 C ATOM 1740 O ILE A 110 -0.451 18.602 9.742 1.00 0.00 O ATOM 1741 CB ILE A 110 2.201 17.167 8.164 1.00 0.00 C ATOM 1742 CG1 ILE A 110 3.084 17.098 6.925 1.00 0.00 C ATOM 1743 CG2 ILE A 110 1.192 16.013 8.148 1.00 0.00 C ATOM 1744 CD1 ILE A 110 3.932 15.847 6.857 1.00 0.00 C ATOM 0 H ILE A 110 3.344 19.425 8.209 1.00 0.00 H new ATOM 0 HA ILE A 110 0.721 18.613 7.454 1.00 0.00 H new ATOM 0 HB ILE A 110 2.844 17.080 9.040 1.00 0.00 H new ATOM 0 HG12 ILE A 110 2.454 17.149 6.037 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.736 17.971 6.904 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.725 15.065 8.081 1.00 0.00 H new ATOM 0 HG22 ILE A 110 0.601 16.034 9.064 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.531 16.119 7.288 1.00 0.00 H new ATOM 0 HD11 ILE A 110 4.535 15.865 5.949 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.587 15.804 7.727 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.286 14.969 6.846 1.00 0.00 H new ATOM 1973 N ILE B 206 26.356 15.549 7.839 1.00 0.00 N ATOM 1974 CA ILE B 206 26.569 15.513 6.419 1.00 0.00 C ATOM 1975 C ILE B 206 26.619 16.969 6.032 1.00 0.00 C ATOM 1976 O ILE B 206 25.774 17.736 6.482 1.00 0.00 O ATOM 1977 CB ILE B 206 25.375 14.918 5.653 1.00 0.00 C ATOM 1978 CG1 ILE B 206 24.698 13.752 6.409 1.00 0.00 C ATOM 1979 CG2 ILE B 206 25.835 14.463 4.269 1.00 0.00 C ATOM 1980 CD1 ILE B 206 25.540 12.498 6.572 1.00 0.00 C ATOM 0 HA ILE B 206 27.451 14.915 6.188 1.00 0.00 H new ATOM 0 HB ILE B 206 24.623 15.701 5.558 1.00 0.00 H new ATOM 0 HG12 ILE B 206 24.408 14.104 7.399 1.00 0.00 H new ATOM 0 HG13 ILE B 206 23.781 13.486 5.884 1.00 0.00 H new ATOM 0 HG21 ILE B 206 24.990 14.041 3.725 1.00 0.00 H new ATOM 0 HG22 ILE B 206 26.231 15.316 3.719 1.00 0.00 H new ATOM 0 HG23 ILE B 206 26.613 13.706 4.375 1.00 0.00 H new ATOM 0 HD11 ILE B 206 24.970 11.745 7.115 1.00 0.00 H new ATOM 0 HD12 ILE B 206 25.809 12.110 5.590 1.00 0.00 H new ATOM 0 HD13 ILE B 206 26.446 12.738 7.128 1.00 0.00 H new ATOM 1992 N ASP B 207 27.492 17.336 5.162 1.00 0.00 N ATOM 1993 CA ASP B 207 27.755 18.752 4.885 1.00 0.00 C ATOM 1994 C ASP B 207 26.731 19.343 3.929 1.00 0.00 C ATOM 1995 O ASP B 207 26.830 20.488 3.531 1.00 0.00 O ATOM 1996 CB ASP B 207 29.144 18.895 4.294 1.00 0.00 C ATOM 1997 CG ASP B 207 29.750 20.284 4.492 1.00 0.00 C ATOM 1998 OD1 ASP B 207 29.534 21.187 3.663 1.00 0.00 O ATOM 1999 OD2 ASP B 207 30.473 20.484 5.486 1.00 0.00 O1- ATOM 0 H ASP B 207 28.055 16.687 4.611 1.00 0.00 H new ATOM 0 HA ASP B 207 27.683 19.299 5.825 1.00 0.00 H new ATOM 0 HB2 ASP B 207 29.801 18.153 4.747 1.00 0.00 H new ATOM 0 HB3 ASP B 207 29.101 18.675 3.227 1.00 0.00 H new ATOM 2004 N ILE B 208 25.736 18.575 3.569 1.00 0.00 N ATOM 2005 CA ILE B 208 24.762 19.071 2.644 1.00 0.00 C ATOM 2006 C ILE B 208 23.775 19.927 3.402 1.00 0.00 C ATOM 2007 O ILE B 208 23.833 21.156 3.342 1.00 0.00 O ATOM 2008 CB ILE B 208 23.963 17.959 1.940 1.00 0.00 C ATOM 2009 CG1 ILE B 208 24.849 16.790 1.545 1.00 0.00 C ATOM 2010 CG2 ILE B 208 23.299 18.530 0.705 1.00 0.00 C ATOM 2011 CD1 ILE B 208 24.076 15.681 0.849 1.00 0.00 C ATOM 0 H ILE B 208 25.583 17.621 3.897 1.00 0.00 H new ATOM 0 HA ILE B 208 25.306 19.626 1.880 1.00 0.00 H new ATOM 0 HB ILE B 208 23.214 17.587 2.638 1.00 0.00 H new ATOM 0 HG12 ILE B 208 25.641 17.145 0.886 1.00 0.00 H new ATOM 0 HG13 ILE B 208 25.332 16.388 2.435 1.00 0.00 H new ATOM 0 HG21 ILE B 208 22.732 17.747 0.202 1.00 0.00 H new ATOM 0 HG22 ILE B 208 22.626 19.337 0.994 1.00 0.00 H new ATOM 0 HG23 ILE B 208 24.061 18.917 0.029 1.00 0.00 H new ATOM 0 HD11 ILE B 208 24.757 14.871 0.589 1.00 0.00 H new ATOM 0 HD12 ILE B 208 23.301 15.303 1.516 1.00 0.00 H new ATOM 0 HD13 ILE B 208 23.615 16.073 -0.058 1.00 0.00 H new ATOM 2023 N MET B 209 22.933 19.240 4.191 1.00 0.00 N ATOM 2024 CA MET B 209 21.817 19.838 4.956 1.00 0.00 C ATOM 2025 C MET B 209 20.791 20.557 4.041 1.00 0.00 C ATOM 2026 O MET B 209 21.143 21.170 3.041 1.00 0.00 O ATOM 2027 CB MET B 209 22.316 20.769 6.072 1.00 0.00 C ATOM 2028 CG MET B 209 23.129 20.107 7.198 1.00 0.00 C ATOM 2029 SD MET B 209 22.169 19.127 8.410 1.00 0.00 S ATOM 2030 CE MET B 209 21.869 17.577 7.561 1.00 0.00 C ATOM 0 H MET B 209 23.007 18.231 4.320 1.00 0.00 H new ATOM 0 HA MET B 209 21.295 19.007 5.431 1.00 0.00 H new ATOM 0 HB2 MET B 209 22.930 21.548 5.619 1.00 0.00 H new ATOM 0 HB3 MET B 209 21.452 21.262 6.518 1.00 0.00 H new ATOM 0 HG2 MET B 209 23.877 19.456 6.745 1.00 0.00 H new ATOM 0 HG3 MET B 209 23.669 20.886 7.736 1.00 0.00 H new ATOM 0 HE1 MET B 209 22.029 16.748 8.250 1.00 0.00 H new ATOM 0 HE2 MET B 209 20.842 17.554 7.198 1.00 0.00 H new ATOM 0 HE3 MET B 209 22.554 17.485 6.718 1.00 0.00 H new ATOM 2040 N PRO B 210 19.503 20.439 4.343 1.00 0.00 N ATOM 2041 CA PRO B 210 18.470 21.117 3.563 1.00 0.00 C ATOM 2042 C PRO B 210 18.473 22.626 3.834 1.00 0.00 C ATOM 2043 O PRO B 210 18.767 23.071 4.965 1.00 0.00 O ATOM 2044 CB PRO B 210 17.187 20.477 4.057 1.00 0.00 C ATOM 2045 CG PRO B 210 17.487 20.042 5.445 1.00 0.00 C ATOM 2046 CD PRO B 210 18.933 19.645 5.448 1.00 0.00 C ATOM 0 HA PRO B 210 18.612 21.015 2.487 1.00 0.00 H new ATOM 0 HB2 PRO B 210 16.358 21.185 4.035 1.00 0.00 H new ATOM 0 HB3 PRO B 210 16.901 19.632 3.431 1.00 0.00 H new ATOM 0 HG2 PRO B 210 17.302 20.848 6.155 1.00 0.00 H new ATOM 0 HG3 PRO B 210 16.852 19.206 5.738 1.00 0.00 H new ATOM 0 HD2 PRO B 210 19.412 19.877 6.399 1.00 0.00 H new ATOM 0 HD3 PRO B 210 19.057 18.575 5.281 1.00 0.00 H new ATOM 2054 N ASP B 211 18.141 23.397 2.833 1.00 0.00 N ATOM 2055 CA ASP B 211 18.193 24.855 2.936 1.00 0.00 C ATOM 2056 C ASP B 211 16.825 25.432 3.235 1.00 0.00 C ATOM 2057 O ASP B 211 16.619 26.078 4.275 1.00 0.00 O ATOM 2058 CB ASP B 211 18.741 25.476 1.647 1.00 0.00 C ATOM 2059 CG ASP B 211 18.769 26.989 1.696 1.00 0.00 C ATOM 2060 OD1 ASP B 211 19.672 27.566 2.330 1.00 0.00 O1- ATOM 2061 OD2 ASP B 211 17.892 27.627 1.100 1.00 0.00 O ATOM 0 H ASP B 211 17.828 23.050 1.926 1.00 0.00 H new ATOM 0 HA ASP B 211 18.864 25.098 3.760 1.00 0.00 H new ATOM 0 HB2 ASP B 211 19.750 25.103 1.469 1.00 0.00 H new ATOM 0 HB3 ASP B 211 18.129 25.155 0.804 1.00 0.00 H new ATOM 2066 N PHE B 212 15.897 25.162 2.332 1.00 0.00 N ATOM 2067 CA PHE B 212 14.517 25.648 2.386 1.00 0.00 C ATOM 2068 C PHE B 212 14.413 27.172 2.314 1.00 0.00 C ATOM 2069 O PHE B 212 14.345 27.855 3.340 1.00 0.00 O ATOM 2070 CB PHE B 212 13.729 25.131 3.598 1.00 0.00 C ATOM 2071 CG PHE B 212 13.613 23.647 3.689 1.00 0.00 C ATOM 2072 CD1 PHE B 212 12.850 22.944 2.784 1.00 0.00 C ATOM 2073 CD2 PHE B 212 14.243 22.960 4.702 1.00 0.00 C ATOM 2074 CE1 PHE B 212 12.722 21.578 2.886 1.00 0.00 C ATOM 2075 CE2 PHE B 212 14.121 21.597 4.806 1.00 0.00 C ATOM 2076 CZ PHE B 212 13.358 20.908 3.897 1.00 0.00 C ATOM 0 H PHE B 212 16.083 24.582 1.514 1.00 0.00 H new ATOM 0 HA PHE B 212 14.058 25.231 1.490 1.00 0.00 H new ATOM 0 HB2 PHE B 212 14.206 25.499 4.506 1.00 0.00 H new ATOM 0 HB3 PHE B 212 12.726 25.558 3.569 1.00 0.00 H new ATOM 0 HD1 PHE B 212 12.347 23.470 1.986 1.00 0.00 H new ATOM 0 HD2 PHE B 212 14.840 23.499 5.423 1.00 0.00 H new ATOM 0 HE1 PHE B 212 12.122 21.036 2.171 1.00 0.00 H new ATOM 0 HE2 PHE B 212 14.624 21.068 5.602 1.00 0.00 H new ATOM 0 HZ PHE B 212 13.259 19.836 3.979 1.00 0.00 H new ATOM 2086 N SER B 213 14.442 27.680 1.114 1.00 0.00 N ATOM 2087 CA SER B 213 14.245 29.084 0.822 1.00 0.00 C ATOM 2088 C SER B 213 13.595 29.120 -0.553 1.00 0.00 C ATOM 2089 O SER B 213 13.654 28.108 -1.254 1.00 0.00 O ATOM 2090 CB SER B 213 15.608 29.815 0.756 1.00 0.00 C ATOM 2091 OG SER B 213 16.390 29.588 1.931 1.00 0.00 O ATOM 0 H SER B 213 14.608 27.115 0.281 1.00 0.00 H new ATOM 0 HA SER B 213 13.640 29.571 1.587 1.00 0.00 H new ATOM 0 HB2 SER B 213 16.161 29.475 -0.120 1.00 0.00 H new ATOM 0 HB3 SER B 213 15.441 30.885 0.632 1.00 0.00 H new ATOM 0 HG SER B 213 17.184 29.062 1.699 1.00 0.00 H new ATOM 2097 N PRO B 214 12.912 30.188 -0.946 1.00 0.00 N ATOM 2098 CA PRO B 214 12.428 30.306 -2.316 1.00 0.00 C ATOM 2099 C PRO B 214 13.543 30.727 -3.219 1.00 0.00 C ATOM 2100 O PRO B 214 14.612 31.155 -2.753 1.00 0.00 O ATOM 2101 CB PRO B 214 11.465 31.476 -2.271 1.00 0.00 C ATOM 2102 CG PRO B 214 11.911 32.296 -1.108 1.00 0.00 C ATOM 2103 CD PRO B 214 12.506 31.339 -0.109 1.00 0.00 C ATOM 0 HA PRO B 214 12.001 29.367 -2.669 1.00 0.00 H new ATOM 0 HB2 PRO B 214 11.499 32.051 -3.196 1.00 0.00 H new ATOM 0 HB3 PRO B 214 10.437 31.137 -2.144 1.00 0.00 H new ATOM 0 HG2 PRO B 214 12.646 33.039 -1.417 1.00 0.00 H new ATOM 0 HG3 PRO B 214 11.072 32.839 -0.672 1.00 0.00 H new ATOM 0 HD2 PRO B 214 13.357 31.778 0.412 1.00 0.00 H new ATOM 0 HD3 PRO B 214 11.781 31.048 0.652 1.00 0.00 H new ATOM 2111 N SER B 215 13.350 30.596 -4.474 1.00 0.00 N ATOM 2112 CA SER B 215 14.224 31.206 -5.354 1.00 0.00 C ATOM 2113 C SER B 215 13.660 32.590 -5.642 1.00 0.00 C ATOM 2114 O SER B 215 12.535 32.944 -5.240 1.00 0.00 O ATOM 2115 CB SER B 215 14.369 30.405 -6.645 1.00 0.00 C ATOM 2116 OG SER B 215 13.180 30.478 -7.435 1.00 0.00 O ATOM 0 H SER B 215 12.589 30.068 -4.902 1.00 0.00 H new ATOM 0 HA SER B 215 15.220 31.268 -4.917 1.00 0.00 H new ATOM 0 HB2 SER B 215 15.214 30.785 -7.219 1.00 0.00 H new ATOM 0 HB3 SER B 215 14.588 29.364 -6.408 1.00 0.00 H new ATOM 0 HG SER B 215 12.581 29.741 -7.194 1.00 0.00 H new ATOM 2122 N GLY B 216 14.402 33.320 -6.319 1.00 0.00 N ATOM 2123 CA GLY B 216 14.029 34.628 -6.741 1.00 0.00 C ATOM 2124 C GLY B 216 13.507 34.573 -8.147 1.00 0.00 C ATOM 2125 O GLY B 216 13.034 35.569 -8.685 1.00 0.00 O ATOM 0 H GLY B 216 15.334 33.040 -6.625 1.00 0.00 H new ATOM 0 HA2 GLY B 216 13.267 35.033 -6.075 1.00 0.00 H new ATOM 0 HA3 GLY B 216 14.888 35.297 -6.687 1.00 0.00 H new ATOM 2129 N LEU B 217 13.595 33.386 -8.752 1.00 0.00 N ATOM 2130 CA LEU B 217 13.074 33.177 -10.088 1.00 0.00 C ATOM 2131 C LEU B 217 11.580 33.126 -9.948 1.00 0.00 C ATOM 2132 O LEU B 217 10.839 33.820 -10.630 1.00 0.00 O ATOM 2133 CB LEU B 217 13.510 31.807 -10.645 1.00 0.00 C ATOM 2134 CG LEU B 217 14.956 31.368 -10.432 1.00 0.00 C ATOM 2135 CD1 LEU B 217 15.196 30.031 -11.084 1.00 0.00 C ATOM 2136 CD2 LEU B 217 15.921 32.372 -10.971 1.00 0.00 C ATOM 0 H LEU B 217 14.023 32.561 -8.331 1.00 0.00 H new ATOM 0 HA LEU B 217 13.431 33.965 -10.750 1.00 0.00 H new ATOM 0 HB2 LEU B 217 12.863 31.048 -10.205 1.00 0.00 H new ATOM 0 HB3 LEU B 217 13.317 31.807 -11.718 1.00 0.00 H new ATOM 0 HG LEU B 217 15.119 31.284 -9.358 1.00 0.00 H new ATOM 0 HD11 LEU B 217 16.231 29.729 -10.925 1.00 0.00 H new ATOM 0 HD12 LEU B 217 14.530 29.288 -10.646 1.00 0.00 H new ATOM 0 HD13 LEU B 217 15.001 30.108 -12.154 1.00 0.00 H new ATOM 0 HD21 LEU B 217 16.940 32.025 -10.801 1.00 0.00 H new ATOM 0 HD22 LEU B 217 15.755 32.499 -12.041 1.00 0.00 H new ATOM 0 HD23 LEU B 217 15.774 33.326 -10.465 1.00 0.00 H new ATOM 2148 N LEU B 218 11.192 32.326 -8.971 1.00 0.00 N ATOM 2149 CA LEU B 218 9.829 31.963 -8.634 1.00 0.00 C ATOM 2150 C LEU B 218 8.873 33.164 -8.674 1.00 0.00 C ATOM 2151 O LEU B 218 7.885 33.161 -9.416 1.00 0.00 O ATOM 2152 CB LEU B 218 9.849 31.368 -7.222 1.00 0.00 C ATOM 2153 CG LEU B 218 8.953 30.124 -6.989 1.00 0.00 C ATOM 2154 CD1 LEU B 218 7.518 30.382 -7.367 1.00 0.00 C ATOM 2155 CD2 LEU B 218 9.471 28.937 -7.758 1.00 0.00 C ATOM 0 H LEU B 218 11.869 31.883 -8.350 1.00 0.00 H new ATOM 0 HA LEU B 218 9.462 31.248 -9.370 1.00 0.00 H new ATOM 0 HB2 LEU B 218 10.877 31.100 -6.978 1.00 0.00 H new ATOM 0 HB3 LEU B 218 9.547 32.144 -6.519 1.00 0.00 H new ATOM 0 HG LEU B 218 8.989 29.907 -5.921 1.00 0.00 H new ATOM 0 HD11 LEU B 218 6.927 29.484 -7.187 1.00 0.00 H new ATOM 0 HD12 LEU B 218 7.125 31.201 -6.765 1.00 0.00 H new ATOM 0 HD13 LEU B 218 7.462 30.648 -8.423 1.00 0.00 H new ATOM 0 HD21 LEU B 218 8.826 28.077 -7.578 1.00 0.00 H new ATOM 0 HD22 LEU B 218 9.478 29.169 -8.823 1.00 0.00 H new ATOM 0 HD23 LEU B 218 10.484 28.705 -7.430 1.00 0.00 H new ATOM 2167 N GLU B 219 9.214 34.196 -7.920 1.00 0.00 N ATOM 2168 CA GLU B 219 8.380 35.393 -7.773 1.00 0.00 C ATOM 2169 C GLU B 219 8.097 36.089 -9.108 1.00 0.00 C ATOM 2170 O GLU B 219 7.039 36.678 -9.295 1.00 0.00 O ATOM 2171 CB GLU B 219 9.048 36.370 -6.810 1.00 0.00 C ATOM 2172 CG GLU B 219 10.448 36.777 -7.236 1.00 0.00 C ATOM 2173 CD GLU B 219 11.084 37.746 -6.303 1.00 0.00 C ATOM 2174 OE1 GLU B 219 11.706 37.310 -5.314 1.00 0.00 O1- ATOM 2175 OE2 GLU B 219 10.976 38.963 -6.530 1.00 0.00 O ATOM 0 H GLU B 219 10.082 34.234 -7.386 1.00 0.00 H new ATOM 0 HA GLU B 219 7.419 35.068 -7.375 1.00 0.00 H new ATOM 0 HB2 GLU B 219 8.429 37.263 -6.723 1.00 0.00 H new ATOM 0 HB3 GLU B 219 9.095 35.917 -5.820 1.00 0.00 H new ATOM 0 HG2 GLU B 219 11.073 35.887 -7.307 1.00 0.00 H new ATOM 0 HG3 GLU B 219 10.405 37.216 -8.233 1.00 0.00 H new ATOM 2182 N LEU B 220 9.019 35.970 -10.037 1.00 0.00 N ATOM 2183 CA LEU B 220 8.922 36.646 -11.315 1.00 0.00 C ATOM 2184 C LEU B 220 8.076 35.831 -12.269 1.00 0.00 C ATOM 2185 O LEU B 220 7.408 36.371 -13.160 1.00 0.00 O ATOM 2186 CB LEU B 220 10.324 36.796 -11.918 1.00 0.00 C ATOM 2187 CG LEU B 220 11.386 37.426 -11.017 1.00 0.00 C ATOM 2188 CD1 LEU B 220 12.733 37.444 -11.710 1.00 0.00 C ATOM 2189 CD2 LEU B 220 10.987 38.825 -10.612 1.00 0.00 C ATOM 0 H LEU B 220 9.859 35.401 -9.929 1.00 0.00 H new ATOM 0 HA LEU B 220 8.467 37.625 -11.162 1.00 0.00 H new ATOM 0 HB2 LEU B 220 10.674 35.809 -12.220 1.00 0.00 H new ATOM 0 HB3 LEU B 220 10.244 37.397 -12.824 1.00 0.00 H new ATOM 0 HG LEU B 220 11.467 36.817 -10.116 1.00 0.00 H new ATOM 0 HD11 LEU B 220 13.475 37.896 -11.052 1.00 0.00 H new ATOM 0 HD12 LEU B 220 13.033 36.424 -11.948 1.00 0.00 H new ATOM 0 HD13 LEU B 220 12.661 38.025 -12.629 1.00 0.00 H new ATOM 0 HD21 LEU B 220 11.758 39.252 -9.971 1.00 0.00 H new ATOM 0 HD22 LEU B 220 10.872 39.443 -11.503 1.00 0.00 H new ATOM 0 HD23 LEU B 220 10.042 38.791 -10.069 1.00 0.00 H new ATOM 2201 N GLU B 221 8.084 34.541 -12.052 1.00 0.00 N ATOM 2202 CA GLU B 221 7.468 33.586 -12.955 1.00 0.00 C ATOM 2203 C GLU B 221 5.983 33.400 -12.673 1.00 0.00 C ATOM 2204 O GLU B 221 5.237 32.854 -13.515 1.00 0.00 O ATOM 2205 CB GLU B 221 8.202 32.263 -12.844 1.00 0.00 C ATOM 2206 CG GLU B 221 9.698 32.381 -13.120 1.00 0.00 C ATOM 2207 CD GLU B 221 10.020 32.867 -14.510 1.00 0.00 C ATOM 2208 OE1 GLU B 221 10.097 34.095 -14.735 1.00 0.00 O1- ATOM 2209 OE2 GLU B 221 10.231 32.031 -15.398 1.00 0.00 O ATOM 0 H GLU B 221 8.522 34.113 -11.236 1.00 0.00 H new ATOM 0 HA GLU B 221 7.545 33.974 -13.971 1.00 0.00 H new ATOM 0 HB2 GLU B 221 8.055 31.856 -11.844 1.00 0.00 H new ATOM 0 HB3 GLU B 221 7.765 31.552 -13.545 1.00 0.00 H new ATOM 0 HG2 GLU B 221 10.140 33.064 -12.394 1.00 0.00 H new ATOM 0 HG3 GLU B 221 10.165 31.408 -12.967 1.00 0.00 H new ATOM 2461 N PRO C 315 -4.764 23.918 -0.119 1.00 0.00 N ATOM 2462 CA PRO C 315 -3.292 24.020 0.016 1.00 0.00 C ATOM 2463 C PRO C 315 -2.775 23.941 1.460 1.00 0.00 C ATOM 2464 O PRO C 315 -3.553 23.998 2.428 1.00 0.00 O ATOM 2465 CB PRO C 315 -2.997 25.418 -0.563 1.00 0.00 C ATOM 2466 CG PRO C 315 -4.259 26.167 -0.372 1.00 0.00 C ATOM 2467 CD PRO C 315 -5.339 25.177 -0.632 1.00 0.00 C ATOM 0 HA PRO C 315 -2.799 23.187 -0.485 1.00 0.00 H new ATOM 0 HB2 PRO C 315 -2.168 25.897 -0.043 1.00 0.00 H new ATOM 0 HB3 PRO C 315 -2.723 25.362 -1.617 1.00 0.00 H new ATOM 0 HG2 PRO C 315 -4.329 26.571 0.638 1.00 0.00 H new ATOM 0 HG3 PRO C 315 -4.324 27.011 -1.058 1.00 0.00 H new ATOM 0 HD2 PRO C 315 -6.261 25.440 -0.114 1.00 0.00 H new ATOM 0 HD3 PRO C 315 -5.578 25.109 -1.693 1.00 0.00 H new ATOM 2475 N GLY C 316 -1.460 23.795 1.582 1.00 0.00 N ATOM 2476 CA GLY C 316 -0.799 23.804 2.869 1.00 0.00 C ATOM 2477 C GLY C 316 -0.473 25.227 3.298 1.00 0.00 C ATOM 2478 O GLY C 316 -1.168 26.170 2.902 1.00 0.00 O ATOM 0 H GLY C 316 -0.830 23.668 0.790 1.00 0.00 H new ATOM 0 HA2 GLY C 316 -1.438 23.332 3.615 1.00 0.00 H new ATOM 0 HA3 GLY C 316 0.117 23.216 2.817 1.00 0.00 H new ATOM 2482 N SER C 317 0.559 25.412 4.083 1.00 0.00 N ATOM 2483 CA SER C 317 0.892 26.742 4.533 1.00 0.00 C ATOM 2484 C SER C 317 2.155 27.287 3.855 1.00 0.00 C ATOM 2485 O SER C 317 2.331 28.502 3.776 1.00 0.00 O ATOM 2486 CB SER C 317 1.013 26.796 6.067 1.00 0.00 C ATOM 2487 OG SER C 317 1.292 28.119 6.526 1.00 0.00 O ATOM 0 H SER C 317 1.175 24.672 4.420 1.00 0.00 H new ATOM 0 HA SER C 317 0.070 27.393 4.236 1.00 0.00 H new ATOM 0 HB2 SER C 317 0.086 26.442 6.518 1.00 0.00 H new ATOM 0 HB3 SER C 317 1.805 26.122 6.394 1.00 0.00 H new ATOM 0 HG SER C 317 1.361 28.118 7.504 1.00 0.00 H new ATOM 2493 N ARG C 318 3.034 26.406 3.362 1.00 0.00 N ATOM 2494 CA ARG C 318 4.264 26.878 2.702 1.00 0.00 C ATOM 2495 C ARG C 318 3.991 27.499 1.328 1.00 0.00 C ATOM 2496 O ARG C 318 4.859 28.164 0.752 1.00 0.00 O ATOM 2497 CB ARG C 318 5.365 25.807 2.620 1.00 0.00 C ATOM 2498 CG ARG C 318 5.747 25.217 3.970 1.00 0.00 C ATOM 2499 CD ARG C 318 7.081 24.487 3.933 1.00 0.00 C ATOM 2500 NE ARG C 318 8.218 25.435 3.871 1.00 0.00 N ATOM 2501 CZ ARG C 318 9.257 25.485 4.746 1.00 0.00 C ATOM 2502 NH1 ARG C 318 9.301 24.655 5.803 1.00 0.00 N1+ ATOM 2503 NH2 ARG C 318 10.218 26.394 4.578 1.00 0.00 N ATOM 0 H ARG C 318 2.926 25.393 3.403 1.00 0.00 H new ATOM 0 HA ARG C 318 4.647 27.667 3.350 1.00 0.00 H new ATOM 0 HB2 ARG C 318 5.030 25.004 1.964 1.00 0.00 H new ATOM 0 HB3 ARG C 318 6.251 26.244 2.161 1.00 0.00 H new ATOM 0 HG2 ARG C 318 5.794 26.015 4.711 1.00 0.00 H new ATOM 0 HG3 ARG C 318 4.968 24.527 4.294 1.00 0.00 H new ATOM 0 HD2 ARG C 318 7.178 23.859 4.819 1.00 0.00 H new ATOM 0 HD3 ARG C 318 7.111 23.825 3.068 1.00 0.00 H new ATOM 0 HE ARG C 318 8.221 26.109 3.105 1.00 0.00 H new ATOM 0 HH11 ARG C 318 8.551 23.981 5.953 1.00 0.00 H new ATOM 0 HH12 ARG C 318 10.085 24.700 6.454 1.00 0.00 H new ATOM 0 HH21 ARG C 318 10.171 27.047 3.796 1.00 0.00 H new ATOM 0 HH22 ARG C 318 11.000 26.436 5.232 1.00 0.00 H new ATOM 2517 N TRP C 319 2.789 27.307 0.817 1.00 0.00 N ATOM 2518 CA TRP C 319 2.398 27.928 -0.426 1.00 0.00 C ATOM 2519 C TRP C 319 2.010 29.368 -0.129 1.00 0.00 C ATOM 2520 O TRP C 319 0.963 29.637 0.466 1.00 0.00 O ATOM 2521 CB TRP C 319 1.248 27.153 -1.104 1.00 0.00 C ATOM 2522 CG TRP C 319 0.743 27.772 -2.388 1.00 0.00 C ATOM 2523 CD1 TRP C 319 1.396 27.855 -3.588 1.00 0.00 C ATOM 2524 CD2 TRP C 319 -0.541 28.362 -2.594 1.00 0.00 C ATOM 2525 NE1 TRP C 319 0.595 28.486 -4.511 1.00 0.00 N ATOM 2526 CE2 TRP C 319 -0.597 28.798 -3.930 1.00 0.00 C ATOM 2527 CE3 TRP C 319 -1.644 28.567 -1.776 1.00 0.00 C ATOM 2528 CZ2 TRP C 319 -1.720 29.432 -4.467 1.00 0.00 C ATOM 2529 CZ3 TRP C 319 -2.751 29.184 -2.301 1.00 0.00 C ATOM 2530 CH2 TRP C 319 -2.787 29.612 -3.635 1.00 0.00 C ATOM 0 H TRP C 319 2.070 26.725 1.247 1.00 0.00 H new ATOM 0 HA TRP C 319 3.230 27.911 -1.130 1.00 0.00 H new ATOM 0 HB2 TRP C 319 1.585 26.138 -1.314 1.00 0.00 H new ATOM 0 HB3 TRP C 319 0.417 27.074 -0.403 1.00 0.00 H new ATOM 0 HD1 TRP C 319 2.391 27.481 -3.781 1.00 0.00 H new ATOM 0 HE1 TRP C 319 0.853 28.688 -5.477 1.00 0.00 H new ATOM 0 HE3 TRP C 319 -1.631 28.246 -0.745 1.00 0.00 H new ATOM 0 HZ2 TRP C 319 -1.743 29.765 -5.494 1.00 0.00 H new ATOM 0 HZ3 TRP C 319 -3.614 29.344 -1.672 1.00 0.00 H new ATOM 0 HH2 TRP C 319 -3.677 30.094 -4.012 1.00 0.00 H new ATOM 2541 N ASP C 320 2.897 30.273 -0.492 1.00 0.00 N ATOM 2542 CA ASP C 320 2.728 31.708 -0.232 1.00 0.00 C ATOM 2543 C ASP C 320 1.519 32.275 -0.957 1.00 0.00 C ATOM 2544 O ASP C 320 0.734 33.041 -0.393 1.00 0.00 O ATOM 2545 CB ASP C 320 3.989 32.471 -0.648 1.00 0.00 C ATOM 2546 CG ASP C 320 3.856 33.975 -0.490 1.00 0.00 C ATOM 2547 OD1 ASP C 320 4.097 34.489 0.610 1.00 0.00 O ATOM 2548 OD2 ASP C 320 3.535 34.659 -1.477 1.00 0.00 O1- ATOM 0 H ASP C 320 3.763 30.043 -0.979 1.00 0.00 H new ATOM 0 HA ASP C 320 2.563 31.831 0.838 1.00 0.00 H new ATOM 0 HB2 ASP C 320 4.831 32.122 -0.050 1.00 0.00 H new ATOM 0 HB3 ASP C 320 4.219 32.240 -1.688 1.00 0.00 H new ATOM 2553 N GLY C 321 1.378 31.888 -2.185 1.00 0.00 N ATOM 2554 CA GLY C 321 0.300 32.363 -3.004 1.00 0.00 C ATOM 2555 C GLY C 321 0.776 32.502 -4.404 1.00 0.00 C ATOM 2556 O GLY C 321 0.655 33.550 -5.020 1.00 0.00 O ATOM 0 H GLY C 321 2.006 31.233 -2.652 1.00 0.00 H new ATOM 0 HA2 GLY C 321 -0.539 31.669 -2.960 1.00 0.00 H new ATOM 0 HA3 GLY C 321 -0.060 33.323 -2.632 1.00 0.00 H new