USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 689 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 32 TYR OH : rot -52:sc= 0.207 USER MOD Set 1.2: A 40 CYS SG : rot 180:sc= 0.00439 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 141:sc= -0.117 (180deg=-2.37!) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 18 MET CE :methyl 179:sc= 0 (180deg=-0.00375) USER MOD Single : A 20 ASN : amide:sc= -0.902! X(o=-0.9!,f=-0.75) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -125:sc= 0 (180deg=-1.67!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.103 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -4.6! C(o=-4.6!,f=-5.1!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.326 USER MOD Single : A 70 TYR OH : rot 47:sc= 1.4 USER MOD Single : A 72 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.2!) USER MOD Single : A 78 SER OG : rot 160:sc= -3.35 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.407 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.929 USER MOD Single : A 89 SER OG : rot -70:sc= -0.654 USER MOD Single : A 90 THR OG1 : rot 55:sc= 1.06 USER MOD Single : A 96 GLN : amide:sc= -1.21 X(o=-1.2,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 104 N LEU A 11 -2.375 -12.227 7.718 1.00 0.00 N ATOM 105 CA LEU A 11 -2.900 -11.091 6.969 1.00 0.00 C ATOM 106 C LEU A 11 -4.370 -11.303 6.618 1.00 0.00 C ATOM 107 O LEU A 11 -5.191 -10.401 6.778 1.00 0.00 O ATOM 108 CB LEU A 11 -2.085 -10.876 5.692 1.00 0.00 C ATOM 109 CG LEU A 11 -2.272 -9.528 4.995 1.00 0.00 C ATOM 110 CD1 LEU A 11 -1.729 -8.401 5.859 1.00 0.00 C ATOM 111 CD2 LEU A 11 -1.594 -9.533 3.633 1.00 0.00 C ATOM 0 HA LEU A 11 -2.819 -10.204 7.598 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.029 -10.993 5.935 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.339 -11.666 4.985 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.339 -9.362 4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.871 -7.449 5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.260 -8.384 6.811 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.666 -8.561 6.040 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.738 -8.566 3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.528 -9.721 3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.030 -10.316 3.012 1.00 0.00 H new ATOM 123 N GLU A 12 -4.692 -12.501 6.142 1.00 0.00 N ATOM 124 CA GLU A 12 -6.063 -12.831 5.771 1.00 0.00 C ATOM 125 C GLU A 12 -7.018 -12.579 6.935 1.00 0.00 C ATOM 126 O GLU A 12 -8.128 -12.081 6.746 1.00 0.00 O ATOM 127 CB GLU A 12 -6.158 -14.292 5.327 1.00 0.00 C ATOM 128 CG GLU A 12 -5.929 -14.492 3.838 1.00 0.00 C ATOM 129 CD GLU A 12 -5.978 -15.952 3.431 1.00 0.00 C ATOM 130 OE1 GLU A 12 -6.984 -16.622 3.744 1.00 0.00 O ATOM 131 OE2 GLU A 12 -5.010 -16.424 2.799 1.00 0.00 O ATOM 0 H GLU A 12 -4.023 -13.259 6.004 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.352 -12.187 4.940 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.426 -14.880 5.881 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.142 -14.680 5.590 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.684 -13.938 3.280 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.960 -14.075 3.564 1.00 0.00 H new ATOM 138 N LYS A 13 -6.578 -12.927 8.139 1.00 0.00 N ATOM 139 CA LYS A 13 -7.390 -12.739 9.335 1.00 0.00 C ATOM 140 C LYS A 13 -7.658 -11.259 9.583 1.00 0.00 C ATOM 141 O LYS A 13 -8.804 -10.807 9.532 1.00 0.00 O ATOM 142 CB LYS A 13 -6.694 -13.353 10.552 1.00 0.00 C ATOM 143 CG LYS A 13 -7.058 -14.809 10.791 1.00 0.00 C ATOM 144 CD LYS A 13 -5.912 -15.571 11.435 1.00 0.00 C ATOM 145 CE LYS A 13 -4.999 -16.194 10.390 1.00 0.00 C ATOM 146 NZ LYS A 13 -4.264 -17.373 10.927 1.00 0.00 N ATOM 0 H LYS A 13 -5.662 -13.341 8.313 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.344 -13.242 9.178 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.615 -13.274 10.421 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.951 -12.773 11.438 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.938 -14.865 11.431 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.322 -15.279 9.844 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.335 -14.896 12.068 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.311 -16.352 12.082 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.590 -16.497 9.526 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.284 -15.448 10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.653 -17.769 10.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.680 -17.079 11.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.945 -18.095 11.236 1.00 0.00 H new ATOM 160 N LEU A 14 -6.597 -10.506 9.851 1.00 0.00 N ATOM 161 CA LEU A 14 -6.717 -9.075 10.106 1.00 0.00 C ATOM 162 C LEU A 14 -7.490 -8.386 8.986 1.00 0.00 C ATOM 163 O LEU A 14 -8.535 -7.780 9.221 1.00 0.00 O ATOM 164 CB LEU A 14 -5.331 -8.444 10.248 1.00 0.00 C ATOM 165 CG LEU A 14 -5.302 -6.987 10.710 1.00 0.00 C ATOM 166 CD1 LEU A 14 -5.232 -6.910 12.228 1.00 0.00 C ATOM 167 CD2 LEU A 14 -4.126 -6.251 10.083 1.00 0.00 C ATOM 0 H LEU A 14 -5.643 -10.863 9.897 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.267 -8.942 11.038 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.753 -9.040 10.954 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.824 -8.509 9.286 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.223 -6.504 10.383 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.212 -5.865 12.539 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.106 -7.400 12.658 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.328 -7.409 12.576 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.122 -5.215 10.423 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.195 -6.734 10.379 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.218 -6.276 8.997 1.00 0.00 H new ATOM 179 N MET A 15 -6.970 -8.486 7.767 1.00 0.00 N ATOM 180 CA MET A 15 -7.614 -7.875 6.609 1.00 0.00 C ATOM 181 C MET A 15 -9.074 -8.303 6.510 1.00 0.00 C ATOM 182 O MET A 15 -9.935 -7.517 6.116 1.00 0.00 O ATOM 183 CB MET A 15 -6.871 -8.253 5.327 1.00 0.00 C ATOM 184 CG MET A 15 -5.510 -7.590 5.195 1.00 0.00 C ATOM 185 SD MET A 15 -5.621 -5.795 5.061 1.00 0.00 S ATOM 186 CE MET A 15 -4.375 -5.289 6.244 1.00 0.00 C ATOM 0 H MET A 15 -6.105 -8.984 7.555 1.00 0.00 H new ATOM 0 HA MET A 15 -7.579 -6.793 6.734 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.743 -9.335 5.297 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.484 -7.980 4.468 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.899 -7.849 6.060 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.002 -7.985 4.316 1.00 0.00 H new ATOM 0 HE1 MET A 15 -3.832 -4.428 5.855 1.00 0.00 H new ATOM 0 HE2 MET A 15 -4.855 -5.021 7.185 1.00 0.00 H new ATOM 0 HE3 MET A 15 -3.679 -6.110 6.413 1.00 0.00 H new ATOM 196 N GLU A 16 -9.345 -9.554 6.870 1.00 0.00 N ATOM 197 CA GLU A 16 -10.702 -10.086 6.820 1.00 0.00 C ATOM 198 C GLU A 16 -11.613 -9.345 7.795 1.00 0.00 C ATOM 199 O GLU A 16 -12.782 -9.098 7.503 1.00 0.00 O ATOM 200 CB GLU A 16 -10.700 -11.581 7.143 1.00 0.00 C ATOM 201 CG GLU A 16 -12.082 -12.145 7.427 1.00 0.00 C ATOM 202 CD GLU A 16 -12.032 -13.518 8.069 1.00 0.00 C ATOM 203 OE1 GLU A 16 -12.003 -14.521 7.326 1.00 0.00 O ATOM 204 OE2 GLU A 16 -12.021 -13.589 9.316 1.00 0.00 O ATOM 0 H GLU A 16 -8.643 -10.217 7.199 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.085 -9.941 5.810 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.260 -12.124 6.306 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.061 -11.756 8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.622 -11.461 8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.645 -12.204 6.495 1.00 0.00 H new ATOM 211 N ASN A 17 -11.068 -8.995 8.956 1.00 0.00 N ATOM 212 CA ASN A 17 -11.831 -8.284 9.975 1.00 0.00 C ATOM 213 C ASN A 17 -12.066 -6.833 9.565 1.00 0.00 C ATOM 214 O ASN A 17 -13.132 -6.272 9.815 1.00 0.00 O ATOM 215 CB ASN A 17 -11.099 -8.335 11.318 1.00 0.00 C ATOM 216 CG ASN A 17 -11.103 -9.724 11.926 1.00 0.00 C ATOM 217 OD1 ASN A 17 -12.158 -10.333 12.104 1.00 0.00 O ATOM 218 ND2 ASN A 17 -9.919 -10.232 12.248 1.00 0.00 N ATOM 0 H ASN A 17 -10.101 -9.192 9.214 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.799 -8.775 10.078 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.069 -8.005 11.180 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.568 -7.637 12.011 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.859 -11.163 12.661 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.070 -9.691 12.083 1.00 0.00 H new ATOM 225 N MET A 18 -11.062 -6.233 8.935 1.00 0.00 N ATOM 226 CA MET A 18 -11.160 -4.848 8.489 1.00 0.00 C ATOM 227 C MET A 18 -12.093 -4.728 7.288 1.00 0.00 C ATOM 228 O MET A 18 -13.042 -3.943 7.303 1.00 0.00 O ATOM 229 CB MET A 18 -9.775 -4.306 8.130 1.00 0.00 C ATOM 230 CG MET A 18 -9.800 -2.884 7.593 1.00 0.00 C ATOM 231 SD MET A 18 -8.175 -2.317 7.055 1.00 0.00 S ATOM 232 CE MET A 18 -8.062 -3.092 5.444 1.00 0.00 C ATOM 0 H MET A 18 -10.172 -6.683 8.722 1.00 0.00 H new ATOM 0 HA MET A 18 -11.572 -4.258 9.307 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.140 -4.340 9.015 1.00 0.00 H new ATOM 0 HB3 MET A 18 -9.320 -4.959 7.385 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.496 -2.828 6.756 1.00 0.00 H new ATOM 0 HG3 MET A 18 -10.177 -2.214 8.366 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.116 -2.820 4.975 1.00 0.00 H new ATOM 0 HE2 MET A 18 -8.113 -4.175 5.557 1.00 0.00 H new ATOM 0 HE3 MET A 18 -8.888 -2.753 4.818 1.00 0.00 H new ATOM 242 N ARG A 19 -11.817 -5.510 6.249 1.00 0.00 N ATOM 243 CA ARG A 19 -12.631 -5.490 5.040 1.00 0.00 C ATOM 244 C ARG A 19 -14.117 -5.498 5.385 1.00 0.00 C ATOM 245 O ARG A 19 -14.939 -4.960 4.645 1.00 0.00 O ATOM 246 CB ARG A 19 -12.296 -6.691 4.154 1.00 0.00 C ATOM 247 CG ARG A 19 -10.992 -6.537 3.387 1.00 0.00 C ATOM 248 CD ARG A 19 -10.780 -7.686 2.413 1.00 0.00 C ATOM 249 NE ARG A 19 -11.924 -7.867 1.523 1.00 0.00 N ATOM 250 CZ ARG A 19 -12.105 -8.946 0.770 1.00 0.00 C ATOM 251 NH1 ARG A 19 -11.222 -9.935 0.799 1.00 0.00 N ATOM 252 NH2 ARG A 19 -13.171 -9.038 -0.014 1.00 0.00 N ATOM 0 H ARG A 19 -11.036 -6.165 6.221 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.407 -4.572 4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.239 -7.585 4.775 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.109 -6.847 3.445 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.998 -5.593 2.842 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.159 -6.495 4.088 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.885 -7.498 1.820 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.605 -8.606 2.970 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.622 -7.124 1.477 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.401 -9.868 1.401 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.364 -10.762 0.220 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.853 -8.280 -0.039 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.309 -9.867 -0.592 1.00 0.00 H new ATOM 266 N ASN A 20 -14.454 -6.113 6.514 1.00 0.00 N ATOM 267 CA ASN A 20 -15.842 -6.192 6.957 1.00 0.00 C ATOM 268 C ASN A 20 -16.374 -4.812 7.329 1.00 0.00 C ATOM 269 O ASN A 20 -17.198 -4.239 6.615 1.00 0.00 O ATOM 270 CB ASN A 20 -15.964 -7.138 8.153 1.00 0.00 C ATOM 271 CG ASN A 20 -16.162 -8.581 7.732 1.00 0.00 C ATOM 272 OD1 ASN A 20 -17.152 -8.920 7.084 1.00 0.00 O ATOM 273 ND2 ASN A 20 -15.217 -9.439 8.099 1.00 0.00 N ATOM 0 H ASN A 20 -13.786 -6.564 7.139 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.439 -6.581 6.132 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.066 -7.061 8.766 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.803 -6.826 8.775 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.295 -10.424 7.844 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.413 -9.113 8.636 1.00 0.00 H new ATOM 280 N ASP A 21 -15.896 -4.282 8.450 1.00 0.00 N ATOM 281 CA ASP A 21 -16.322 -2.968 8.917 1.00 0.00 C ATOM 282 C ASP A 21 -15.995 -1.893 7.885 1.00 0.00 C ATOM 283 O ASP A 21 -16.603 -0.822 7.876 1.00 0.00 O ATOM 284 CB ASP A 21 -15.650 -2.634 10.249 1.00 0.00 C ATOM 285 CG ASP A 21 -16.514 -1.751 11.128 1.00 0.00 C ATOM 286 OD1 ASP A 21 -17.750 -1.929 11.116 1.00 0.00 O ATOM 287 OD2 ASP A 21 -15.954 -0.883 11.829 1.00 0.00 O ATOM 0 H ASP A 21 -15.213 -4.742 9.052 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.402 -2.993 9.060 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.422 -3.558 10.780 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.700 -2.134 10.058 1.00 0.00 H new ATOM 292 N ILE A 22 -15.031 -2.185 7.018 1.00 0.00 N ATOM 293 CA ILE A 22 -14.624 -1.243 5.983 1.00 0.00 C ATOM 294 C ILE A 22 -15.560 -1.309 4.781 1.00 0.00 C ATOM 295 O ILE A 22 -15.857 -0.291 4.156 1.00 0.00 O ATOM 296 CB ILE A 22 -13.182 -1.513 5.513 1.00 0.00 C ATOM 297 CG1 ILE A 22 -12.184 -0.772 6.405 1.00 0.00 C ATOM 298 CG2 ILE A 22 -13.013 -1.096 4.059 1.00 0.00 C ATOM 299 CD1 ILE A 22 -12.259 0.734 6.274 1.00 0.00 C ATOM 0 H ILE A 22 -14.518 -3.066 7.012 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.673 -0.247 6.424 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.984 -2.582 5.590 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -12.363 -1.048 7.444 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.174 -1.100 6.158 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.989 -1.293 3.741 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.703 -1.665 3.435 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.226 -0.032 3.959 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.524 1.194 6.935 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.050 1.020 5.243 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.257 1.074 6.550 1.00 0.00 H new ATOM 311 N ALA A 23 -16.023 -2.514 4.464 1.00 0.00 N ATOM 312 CA ALA A 23 -16.928 -2.712 3.339 1.00 0.00 C ATOM 313 C ALA A 23 -18.367 -2.390 3.730 1.00 0.00 C ATOM 314 O ALA A 23 -19.212 -2.137 2.871 1.00 0.00 O ATOM 315 CB ALA A 23 -16.826 -4.140 2.825 1.00 0.00 C ATOM 0 H ALA A 23 -15.786 -3.367 4.970 1.00 0.00 H new ATOM 0 HA ALA A 23 -16.633 -2.029 2.542 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -17.507 -4.274 1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.805 -4.337 2.499 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -17.093 -4.834 3.622 1.00 0.00 H new ATOM 321 N SER A 24 -18.639 -2.403 5.031 1.00 0.00 N ATOM 322 CA SER A 24 -19.978 -2.117 5.534 1.00 0.00 C ATOM 323 C SER A 24 -20.104 -0.651 5.938 1.00 0.00 C ATOM 324 O SER A 24 -21.165 -0.043 5.790 1.00 0.00 O ATOM 325 CB SER A 24 -20.299 -3.016 6.729 1.00 0.00 C ATOM 326 OG SER A 24 -21.695 -3.231 6.845 1.00 0.00 O ATOM 0 H SER A 24 -17.951 -2.608 5.755 1.00 0.00 H new ATOM 0 HA SER A 24 -20.691 -2.319 4.735 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.789 -3.973 6.616 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.921 -2.559 7.644 1.00 0.00 H new ATOM 0 HG SER A 24 -21.874 -3.810 7.615 1.00 0.00 H new ATOM 332 N HIS A 25 -19.014 -0.088 6.449 1.00 0.00 N ATOM 333 CA HIS A 25 -19.001 1.307 6.874 1.00 0.00 C ATOM 334 C HIS A 25 -17.784 2.036 6.312 1.00 0.00 C ATOM 335 O HIS A 25 -17.010 2.655 7.041 1.00 0.00 O ATOM 336 CB HIS A 25 -19.005 1.398 8.400 1.00 0.00 C ATOM 337 CG HIS A 25 -20.374 1.321 9.002 1.00 0.00 C ATOM 338 ND1 HIS A 25 -20.996 2.398 9.596 1.00 0.00 N ATOM 339 CD2 HIS A 25 -21.243 0.287 9.097 1.00 0.00 C ATOM 340 CE1 HIS A 25 -22.187 2.030 10.033 1.00 0.00 C ATOM 341 NE2 HIS A 25 -22.362 0.754 9.742 1.00 0.00 N ATOM 0 H HIS A 25 -18.128 -0.577 6.579 1.00 0.00 H new ATOM 0 HA HIS A 25 -19.900 1.787 6.487 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -18.393 0.592 8.805 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -18.537 2.335 8.701 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -21.086 -0.718 8.733 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -22.897 2.665 10.542 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -23.193 0.205 9.961 1.00 0.00 H new ATOM 349 N PRO A 26 -17.609 1.960 4.984 1.00 0.00 N ATOM 350 CA PRO A 26 -16.488 2.606 4.295 1.00 0.00 C ATOM 351 C PRO A 26 -16.303 4.058 4.724 1.00 0.00 C ATOM 352 O PRO A 26 -17.259 4.758 5.058 1.00 0.00 O ATOM 353 CB PRO A 26 -16.887 2.530 2.820 1.00 0.00 C ATOM 354 CG PRO A 26 -17.795 1.352 2.733 1.00 0.00 C ATOM 355 CD PRO A 26 -18.493 1.239 4.053 1.00 0.00 C ATOM 0 HA PRO A 26 -15.538 2.121 4.519 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.390 3.442 2.499 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.014 2.405 2.180 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.516 1.479 1.925 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.230 0.445 2.516 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -19.487 1.686 4.019 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.621 0.198 4.349 1.00 0.00 H new ATOM 363 N PRO A 27 -15.045 4.523 4.713 1.00 0.00 N ATOM 364 CA PRO A 27 -14.706 5.896 5.097 1.00 0.00 C ATOM 365 C PRO A 27 -15.197 6.921 4.080 1.00 0.00 C ATOM 366 O PRO A 27 -15.516 6.577 2.942 1.00 0.00 O ATOM 367 CB PRO A 27 -13.176 5.883 5.146 1.00 0.00 C ATOM 368 CG PRO A 27 -12.776 4.785 4.223 1.00 0.00 C ATOM 369 CD PRO A 27 -13.857 3.744 4.325 1.00 0.00 C ATOM 0 HA PRO A 27 -15.174 6.183 6.038 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.762 6.839 4.826 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.814 5.701 6.158 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.681 5.150 3.200 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.808 4.371 4.505 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.007 3.227 3.377 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.614 2.984 5.068 1.00 0.00 H new ATOM 377 N VAL A 28 -15.255 8.182 4.497 1.00 0.00 N ATOM 378 CA VAL A 28 -15.706 9.257 3.621 1.00 0.00 C ATOM 379 C VAL A 28 -14.575 9.745 2.724 1.00 0.00 C ATOM 380 O VAL A 28 -13.550 10.224 3.207 1.00 0.00 O ATOM 381 CB VAL A 28 -16.255 10.446 4.431 1.00 0.00 C ATOM 382 CG1 VAL A 28 -16.668 11.579 3.502 1.00 0.00 C ATOM 383 CG2 VAL A 28 -17.424 10.006 5.299 1.00 0.00 C ATOM 0 H VAL A 28 -14.995 8.484 5.436 1.00 0.00 H new ATOM 0 HA VAL A 28 -16.505 8.849 3.002 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.464 10.813 5.085 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -17.054 12.411 4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.804 11.912 2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -17.443 11.227 2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.799 10.859 5.864 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -18.219 9.612 4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -17.093 9.231 5.990 1.00 0.00 H new ATOM 393 N GLU A 29 -14.770 9.621 1.415 1.00 0.00 N ATOM 394 CA GLU A 29 -13.765 10.051 0.449 1.00 0.00 C ATOM 395 C GLU A 29 -13.430 11.528 0.633 1.00 0.00 C ATOM 396 O GLU A 29 -14.299 12.392 0.518 1.00 0.00 O ATOM 397 CB GLU A 29 -14.257 9.802 -0.978 1.00 0.00 C ATOM 398 CG GLU A 29 -15.083 10.944 -1.545 1.00 0.00 C ATOM 399 CD GLU A 29 -15.837 10.552 -2.801 1.00 0.00 C ATOM 400 OE1 GLU A 29 -16.843 9.821 -2.684 1.00 0.00 O ATOM 401 OE2 GLU A 29 -15.422 10.975 -3.899 1.00 0.00 O ATOM 0 H GLU A 29 -15.614 9.227 0.999 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.861 9.467 0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.397 9.631 -1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.854 8.890 -0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.793 11.283 -0.791 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.427 11.786 -1.767 1.00 0.00 H new ATOM 408 N GLY A 30 -12.163 11.811 0.920 1.00 0.00 N ATOM 409 CA GLY A 30 -11.735 13.184 1.116 1.00 0.00 C ATOM 410 C GLY A 30 -11.931 13.654 2.544 1.00 0.00 C ATOM 411 O GLY A 30 -12.146 14.841 2.790 1.00 0.00 O ATOM 0 H GLY A 30 -11.425 11.114 1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.682 13.275 0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.293 13.835 0.443 1.00 0.00 H new ATOM 415 N SER A 31 -11.857 12.721 3.488 1.00 0.00 N ATOM 416 CA SER A 31 -12.033 13.045 4.898 1.00 0.00 C ATOM 417 C SER A 31 -10.705 12.963 5.644 1.00 0.00 C ATOM 418 O SER A 31 -10.405 13.800 6.496 1.00 0.00 O ATOM 419 CB SER A 31 -13.050 12.097 5.538 1.00 0.00 C ATOM 420 OG SER A 31 -12.998 12.174 6.952 1.00 0.00 O ATOM 0 H SER A 31 -11.676 11.735 3.301 1.00 0.00 H new ATOM 0 HA SER A 31 -12.406 14.067 4.967 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.053 12.348 5.193 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.850 11.074 5.219 1.00 0.00 H new ATOM 0 HG SER A 31 -13.658 11.560 7.338 1.00 0.00 H new ATOM 426 N TYR A 32 -9.913 11.947 5.318 1.00 0.00 N ATOM 427 CA TYR A 32 -8.617 11.753 5.958 1.00 0.00 C ATOM 428 C TYR A 32 -7.509 12.441 5.166 1.00 0.00 C ATOM 429 O TYR A 32 -7.392 12.258 3.955 1.00 0.00 O ATOM 430 CB TYR A 32 -8.311 10.261 6.095 1.00 0.00 C ATOM 431 CG TYR A 32 -6.847 9.961 6.327 1.00 0.00 C ATOM 432 CD1 TYR A 32 -5.939 9.980 5.276 1.00 0.00 C ATOM 433 CD2 TYR A 32 -6.372 9.661 7.598 1.00 0.00 C ATOM 434 CE1 TYR A 32 -4.600 9.707 5.483 1.00 0.00 C ATOM 435 CE2 TYR A 32 -5.036 9.388 7.815 1.00 0.00 C ATOM 436 CZ TYR A 32 -4.154 9.411 6.754 1.00 0.00 C ATOM 437 OH TYR A 32 -2.822 9.140 6.966 1.00 0.00 O ATOM 0 H TYR A 32 -10.146 11.246 4.615 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.660 12.201 6.951 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.892 9.854 6.923 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.640 9.747 5.192 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.285 10.212 4.280 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.060 9.641 8.430 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.907 9.725 4.655 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.683 9.158 8.809 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.526 8.445 6.341 1.00 0.00 H new ATOM 447 N ALA A 33 -6.698 13.232 5.860 1.00 0.00 N ATOM 448 CA ALA A 33 -5.598 13.945 5.224 1.00 0.00 C ATOM 449 C ALA A 33 -4.283 13.193 5.396 1.00 0.00 C ATOM 450 O ALA A 33 -3.748 13.073 6.499 1.00 0.00 O ATOM 451 CB ALA A 33 -5.482 15.352 5.793 1.00 0.00 C ATOM 0 H ALA A 33 -6.782 13.395 6.863 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.810 14.012 4.157 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.656 15.873 5.309 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.410 15.895 5.612 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.297 15.297 6.866 1.00 0.00 H new ATOM 457 N PRO A 34 -3.748 12.672 4.282 1.00 0.00 N ATOM 458 CA PRO A 34 -2.489 11.921 4.284 1.00 0.00 C ATOM 459 C PRO A 34 -1.283 12.812 4.564 1.00 0.00 C ATOM 460 O PRO A 34 -1.194 13.930 4.054 1.00 0.00 O ATOM 461 CB PRO A 34 -2.414 11.350 2.866 1.00 0.00 C ATOM 462 CG PRO A 34 -3.228 12.283 2.038 1.00 0.00 C ATOM 463 CD PRO A 34 -4.331 12.776 2.934 1.00 0.00 C ATOM 0 HA PRO A 34 -2.469 11.161 5.066 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.384 11.303 2.512 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.812 10.336 2.826 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.621 13.112 1.673 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.633 11.776 1.163 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.613 13.802 2.696 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.230 12.167 2.837 1.00 0.00 H new ATOM 471 N ARG A 35 -0.359 12.311 5.376 1.00 0.00 N ATOM 472 CA ARG A 35 0.841 13.063 5.723 1.00 0.00 C ATOM 473 C ARG A 35 2.091 12.205 5.545 1.00 0.00 C ATOM 474 O ARG A 35 2.087 11.014 5.855 1.00 0.00 O ATOM 475 CB ARG A 35 0.755 13.563 7.166 1.00 0.00 C ATOM 476 CG ARG A 35 -0.505 14.361 7.460 1.00 0.00 C ATOM 477 CD ARG A 35 -0.346 15.820 7.061 1.00 0.00 C ATOM 478 NE ARG A 35 -1.625 16.434 6.712 1.00 0.00 N ATOM 479 CZ ARG A 35 -1.774 17.731 6.467 1.00 0.00 C ATOM 480 NH1 ARG A 35 -0.731 18.546 6.532 1.00 0.00 N ATOM 481 NH2 ARG A 35 -2.970 18.215 6.156 1.00 0.00 N ATOM 0 H ARG A 35 -0.418 11.388 5.806 1.00 0.00 H new ATOM 0 HA ARG A 35 0.910 13.919 5.052 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.799 12.708 7.841 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.626 14.183 7.379 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.347 13.925 6.922 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.738 14.297 8.523 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.110 16.373 7.882 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.334 15.892 6.212 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.448 15.834 6.653 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.190 18.178 6.771 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.849 19.541 6.343 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.775 17.591 6.105 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.084 19.211 5.968 1.00 0.00 H new ATOM 495 N ARG A 36 3.157 12.819 5.043 1.00 0.00 N ATOM 496 CA ARG A 36 4.412 12.112 4.822 1.00 0.00 C ATOM 497 C ARG A 36 4.886 11.431 6.102 1.00 0.00 C ATOM 498 O ARG A 36 5.397 12.083 7.012 1.00 0.00 O ATOM 499 CB ARG A 36 5.486 13.079 4.319 1.00 0.00 C ATOM 500 CG ARG A 36 6.823 12.413 4.039 1.00 0.00 C ATOM 501 CD ARG A 36 7.579 13.126 2.929 1.00 0.00 C ATOM 502 NE ARG A 36 9.024 12.954 3.052 1.00 0.00 N ATOM 503 CZ ARG A 36 9.906 13.568 2.272 1.00 0.00 C ATOM 504 NH1 ARG A 36 9.493 14.390 1.317 1.00 0.00 N ATOM 505 NH2 ARG A 36 11.205 13.360 2.446 1.00 0.00 N ATOM 0 H ARG A 36 3.176 13.805 4.782 1.00 0.00 H new ATOM 0 HA ARG A 36 4.239 11.346 4.066 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.131 13.560 3.407 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.630 13.866 5.059 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.426 12.409 4.947 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.661 11.372 3.760 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.250 12.744 1.963 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.337 14.189 2.951 1.00 0.00 H new ATOM 0 HE ARG A 36 9.375 12.328 3.777 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.495 14.552 1.180 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.173 14.860 0.720 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.527 12.728 3.179 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.882 13.832 1.846 1.00 0.00 H new ATOM 519 N GLY A 37 4.711 10.114 6.166 1.00 0.00 N ATOM 520 CA GLY A 37 5.125 9.367 7.339 1.00 0.00 C ATOM 521 C GLY A 37 3.958 8.998 8.233 1.00 0.00 C ATOM 522 O GLY A 37 4.104 8.914 9.452 1.00 0.00 O ATOM 0 H GLY A 37 4.290 9.552 5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.639 8.459 7.025 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.842 9.959 7.908 1.00 0.00 H new ATOM 526 N GLU A 38 2.795 8.780 7.626 1.00 0.00 N ATOM 527 CA GLU A 38 1.598 8.421 8.377 1.00 0.00 C ATOM 528 C GLU A 38 0.936 7.180 7.785 1.00 0.00 C ATOM 529 O GLU A 38 0.848 7.032 6.566 1.00 0.00 O ATOM 530 CB GLU A 38 0.606 9.586 8.386 1.00 0.00 C ATOM 531 CG GLU A 38 0.817 10.556 9.537 1.00 0.00 C ATOM 532 CD GLU A 38 0.386 9.980 10.872 1.00 0.00 C ATOM 533 OE1 GLU A 38 1.044 9.031 11.348 1.00 0.00 O ATOM 534 OE2 GLU A 38 -0.609 10.477 11.439 1.00 0.00 O ATOM 0 H GLU A 38 2.657 8.846 6.618 1.00 0.00 H new ATOM 0 HA GLU A 38 1.896 8.199 9.402 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.688 10.129 7.445 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.408 9.189 8.438 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.871 10.831 9.587 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.258 11.471 9.343 1.00 0.00 H new ATOM 541 N PHE A 39 0.472 6.291 8.657 1.00 0.00 N ATOM 542 CA PHE A 39 -0.181 5.062 8.221 1.00 0.00 C ATOM 543 C PHE A 39 -1.668 5.294 7.973 1.00 0.00 C ATOM 544 O PHE A 39 -2.295 6.126 8.630 1.00 0.00 O ATOM 545 CB PHE A 39 0.007 3.961 9.267 1.00 0.00 C ATOM 546 CG PHE A 39 1.408 3.422 9.325 1.00 0.00 C ATOM 547 CD1 PHE A 39 1.876 2.567 8.339 1.00 0.00 C ATOM 548 CD2 PHE A 39 2.256 3.769 10.364 1.00 0.00 C ATOM 549 CE1 PHE A 39 3.164 2.069 8.390 1.00 0.00 C ATOM 550 CE2 PHE A 39 3.545 3.274 10.420 1.00 0.00 C ATOM 551 CZ PHE A 39 4.000 2.424 9.431 1.00 0.00 C ATOM 0 H PHE A 39 0.536 6.399 9.669 1.00 0.00 H new ATOM 0 HA PHE A 39 0.281 4.748 7.285 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.264 4.352 10.248 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.680 3.143 9.049 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.227 2.287 7.522 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.906 4.434 11.139 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.517 1.403 7.617 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.196 3.551 11.236 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.008 2.038 9.471 1.00 0.00 H new ATOM 561 N CYS A 40 -2.226 4.554 7.021 1.00 0.00 N ATOM 562 CA CYS A 40 -3.639 4.680 6.684 1.00 0.00 C ATOM 563 C CYS A 40 -4.065 3.588 5.708 1.00 0.00 C ATOM 564 O CYS A 40 -3.232 2.835 5.202 1.00 0.00 O ATOM 565 CB CYS A 40 -3.921 6.057 6.082 1.00 0.00 C ATOM 566 SG CYS A 40 -2.835 6.496 4.704 1.00 0.00 S ATOM 0 H CYS A 40 -1.721 3.861 6.469 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.217 4.568 7.601 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.955 6.087 5.739 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.822 6.811 6.863 1.00 0.00 H new ATOM 0 HG CYS A 40 -3.152 7.676 4.261 1.00 0.00 H new ATOM 572 N ILE A 41 -5.366 3.507 5.450 1.00 0.00 N ATOM 573 CA ILE A 41 -5.902 2.506 4.535 1.00 0.00 C ATOM 574 C ILE A 41 -6.119 3.093 3.145 1.00 0.00 C ATOM 575 O ILE A 41 -6.642 4.198 3.001 1.00 0.00 O ATOM 576 CB ILE A 41 -7.233 1.928 5.050 1.00 0.00 C ATOM 577 CG1 ILE A 41 -8.285 3.034 5.162 1.00 0.00 C ATOM 578 CG2 ILE A 41 -7.029 1.246 6.395 1.00 0.00 C ATOM 579 CD1 ILE A 41 -9.657 2.526 5.544 1.00 0.00 C ATOM 0 H ILE A 41 -6.068 4.122 5.861 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.166 1.704 4.477 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.589 1.184 4.337 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.957 3.763 5.903 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.353 3.558 4.208 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.979 0.842 6.746 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.308 0.436 6.286 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.654 1.971 7.117 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.351 3.364 5.605 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -10.006 1.820 4.791 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.604 2.028 6.512 1.00 0.00 H new ATOM 591 N ALA A 42 -5.715 2.345 2.123 1.00 0.00 N ATOM 592 CA ALA A 42 -5.870 2.789 0.743 1.00 0.00 C ATOM 593 C ALA A 42 -6.797 1.860 -0.032 1.00 0.00 C ATOM 594 O ALA A 42 -6.760 0.641 0.143 1.00 0.00 O ATOM 595 CB ALA A 42 -4.512 2.873 0.061 1.00 0.00 C ATOM 0 H ALA A 42 -5.278 1.429 2.225 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.321 3.781 0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.642 3.206 -0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.880 3.583 0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.040 1.891 0.068 1.00 0.00 H new ATOM 601 N LYS A 43 -7.629 2.442 -0.889 1.00 0.00 N ATOM 602 CA LYS A 43 -8.567 1.666 -1.692 1.00 0.00 C ATOM 603 C LYS A 43 -7.900 1.156 -2.965 1.00 0.00 C ATOM 604 O LYS A 43 -7.350 1.934 -3.745 1.00 0.00 O ATOM 605 CB LYS A 43 -9.788 2.516 -2.050 1.00 0.00 C ATOM 606 CG LYS A 43 -11.064 1.709 -2.213 1.00 0.00 C ATOM 607 CD LYS A 43 -12.299 2.589 -2.110 1.00 0.00 C ATOM 608 CE LYS A 43 -13.532 1.779 -1.743 1.00 0.00 C ATOM 609 NZ LYS A 43 -14.199 1.209 -2.947 1.00 0.00 N ATOM 0 H LYS A 43 -7.673 3.449 -1.045 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.889 0.808 -1.102 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.939 3.266 -1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.587 3.053 -2.977 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.055 1.205 -3.179 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.105 0.933 -1.449 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.134 3.363 -1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.466 3.097 -3.060 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.249 0.971 -1.068 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.236 2.413 -1.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.197 1.500 -2.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.724 1.557 -3.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.142 0.171 -2.917 1.00 0.00 H new ATOM 623 N PHE A 44 -7.954 -0.156 -3.171 1.00 0.00 N ATOM 624 CA PHE A 44 -7.355 -0.771 -4.350 1.00 0.00 C ATOM 625 C PHE A 44 -8.317 -0.727 -5.534 1.00 0.00 C ATOM 626 O PHE A 44 -9.534 -0.677 -5.357 1.00 0.00 O ATOM 627 CB PHE A 44 -6.960 -2.219 -4.052 1.00 0.00 C ATOM 628 CG PHE A 44 -5.945 -2.773 -5.010 1.00 0.00 C ATOM 629 CD1 PHE A 44 -4.724 -2.143 -5.188 1.00 0.00 C ATOM 630 CD2 PHE A 44 -6.212 -3.924 -5.733 1.00 0.00 C ATOM 631 CE1 PHE A 44 -3.789 -2.650 -6.070 1.00 0.00 C ATOM 632 CE2 PHE A 44 -5.281 -4.437 -6.617 1.00 0.00 C ATOM 633 CZ PHE A 44 -4.067 -3.799 -6.784 1.00 0.00 C ATOM 0 H PHE A 44 -8.407 -0.814 -2.536 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.461 -0.205 -4.610 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.561 -2.277 -3.039 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.853 -2.844 -4.080 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.500 -1.245 -4.631 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.159 -4.427 -5.605 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.842 -2.148 -6.201 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.502 -5.334 -7.176 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.336 -4.198 -7.472 1.00 0.00 H new ATOM 643 N VAL A 45 -7.761 -0.745 -6.741 1.00 0.00 N ATOM 644 CA VAL A 45 -8.568 -0.708 -7.955 1.00 0.00 C ATOM 645 C VAL A 45 -9.759 -1.654 -7.851 1.00 0.00 C ATOM 646 O VAL A 45 -10.764 -1.482 -8.542 1.00 0.00 O ATOM 647 CB VAL A 45 -7.735 -1.084 -9.194 1.00 0.00 C ATOM 648 CG1 VAL A 45 -6.532 -0.162 -9.329 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.296 -2.539 -9.121 1.00 0.00 C ATOM 0 H VAL A 45 -6.755 -0.785 -6.904 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.928 0.315 -8.065 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.359 -0.961 -10.079 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.955 -0.443 -10.210 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.873 0.868 -9.432 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.905 -0.250 -8.442 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.708 -2.787 -10.005 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.690 -2.692 -8.228 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.175 -3.182 -9.077 1.00 0.00 H new ATOM 659 N ASP A 46 -9.641 -2.653 -6.984 1.00 0.00 N ATOM 660 CA ASP A 46 -10.709 -3.627 -6.788 1.00 0.00 C ATOM 661 C ASP A 46 -11.565 -3.259 -5.580 1.00 0.00 C ATOM 662 O ASP A 46 -12.139 -4.128 -4.926 1.00 0.00 O ATOM 663 CB ASP A 46 -10.124 -5.028 -6.607 1.00 0.00 C ATOM 664 CG ASP A 46 -9.493 -5.560 -7.879 1.00 0.00 C ATOM 665 OD1 ASP A 46 -10.163 -5.529 -8.932 1.00 0.00 O ATOM 666 OD2 ASP A 46 -8.329 -6.009 -7.820 1.00 0.00 O ATOM 0 H ASP A 46 -8.816 -2.810 -6.405 1.00 0.00 H new ATOM 0 HA ASP A 46 -11.342 -3.619 -7.675 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.376 -5.007 -5.815 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.912 -5.709 -6.283 1.00 0.00 H new ATOM 671 N GLY A 47 -11.643 -1.964 -5.288 1.00 0.00 N ATOM 672 CA GLY A 47 -12.429 -1.504 -4.158 1.00 0.00 C ATOM 673 C GLY A 47 -12.055 -2.207 -2.868 1.00 0.00 C ATOM 674 O GLY A 47 -12.873 -2.318 -1.955 1.00 0.00 O ATOM 0 H GLY A 47 -11.176 -1.225 -5.814 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.291 -0.430 -4.036 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.487 -1.668 -4.364 1.00 0.00 H new ATOM 678 N GLU A 48 -10.817 -2.683 -2.793 1.00 0.00 N ATOM 679 CA GLU A 48 -10.338 -3.381 -1.605 1.00 0.00 C ATOM 680 C GLU A 48 -9.374 -2.504 -0.810 1.00 0.00 C ATOM 681 O GLU A 48 -8.340 -2.076 -1.324 1.00 0.00 O ATOM 682 CB GLU A 48 -9.648 -4.689 -1.998 1.00 0.00 C ATOM 683 CG GLU A 48 -10.608 -5.758 -2.493 1.00 0.00 C ATOM 684 CD GLU A 48 -11.129 -6.638 -1.373 1.00 0.00 C ATOM 685 OE1 GLU A 48 -10.371 -7.514 -0.905 1.00 0.00 O ATOM 686 OE2 GLU A 48 -12.294 -6.451 -0.966 1.00 0.00 O ATOM 0 H GLU A 48 -10.127 -2.599 -3.540 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.199 -3.607 -0.976 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.914 -4.483 -2.777 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.101 -5.074 -1.138 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.449 -5.281 -2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.104 -6.379 -3.233 1.00 0.00 H new ATOM 693 N TRP A 49 -9.721 -2.240 0.444 1.00 0.00 N ATOM 694 CA TRP A 49 -8.888 -1.414 1.310 1.00 0.00 C ATOM 695 C TRP A 49 -7.696 -2.206 1.836 1.00 0.00 C ATOM 696 O TRP A 49 -7.817 -3.390 2.153 1.00 0.00 O ATOM 697 CB TRP A 49 -9.712 -0.872 2.479 1.00 0.00 C ATOM 698 CG TRP A 49 -10.710 0.169 2.070 1.00 0.00 C ATOM 699 CD1 TRP A 49 -12.010 -0.039 1.707 1.00 0.00 C ATOM 700 CD2 TRP A 49 -10.488 1.581 1.980 1.00 0.00 C ATOM 701 NE1 TRP A 49 -12.609 1.158 1.398 1.00 0.00 N ATOM 702 CE2 TRP A 49 -11.697 2.167 1.558 1.00 0.00 C ATOM 703 CE3 TRP A 49 -9.386 2.407 2.217 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -11.832 3.539 1.367 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -9.522 3.769 2.028 1.00 0.00 C ATOM 706 CH2 TRP A 49 -10.737 4.324 1.607 1.00 0.00 C ATOM 0 H TRP A 49 -10.574 -2.586 0.884 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.513 -0.577 0.721 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.236 -1.699 2.959 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -9.038 -0.447 3.223 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.496 -1.003 1.669 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.577 1.276 1.098 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.445 1.988 2.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.768 3.969 1.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.677 4.417 2.208 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.811 5.393 1.469 1.00 0.00 H new ATOM 717 N TYR A 50 -6.547 -1.547 1.927 1.00 0.00 N ATOM 718 CA TYR A 50 -5.333 -2.191 2.413 1.00 0.00 C ATOM 719 C TYR A 50 -4.473 -1.209 3.203 1.00 0.00 C ATOM 720 O TYR A 50 -4.540 0.002 2.990 1.00 0.00 O ATOM 721 CB TYR A 50 -4.530 -2.763 1.243 1.00 0.00 C ATOM 722 CG TYR A 50 -5.254 -3.854 0.487 1.00 0.00 C ATOM 723 CD1 TYR A 50 -5.377 -5.131 1.020 1.00 0.00 C ATOM 724 CD2 TYR A 50 -5.816 -3.607 -0.759 1.00 0.00 C ATOM 725 CE1 TYR A 50 -6.037 -6.131 0.332 1.00 0.00 C ATOM 726 CE2 TYR A 50 -6.479 -4.600 -1.454 1.00 0.00 C ATOM 727 CZ TYR A 50 -6.587 -5.861 -0.904 1.00 0.00 C ATOM 728 OH TYR A 50 -7.246 -6.854 -1.591 1.00 0.00 O ATOM 0 H TYR A 50 -6.431 -0.567 1.670 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.625 -3.005 3.077 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.285 -1.956 0.553 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.587 -3.158 1.620 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.950 -5.346 1.988 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.733 -2.621 -1.192 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.122 -7.119 0.760 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.910 -4.391 -2.422 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.575 -6.499 -2.443 1.00 0.00 H new ATOM 738 N ARG A 51 -3.665 -1.740 4.114 1.00 0.00 N ATOM 739 CA ARG A 51 -2.792 -0.911 4.937 1.00 0.00 C ATOM 740 C ARG A 51 -1.635 -0.355 4.112 1.00 0.00 C ATOM 741 O ARG A 51 -0.992 -1.083 3.357 1.00 0.00 O ATOM 742 CB ARG A 51 -2.249 -1.720 6.117 1.00 0.00 C ATOM 743 CG ARG A 51 -3.161 -1.711 7.333 1.00 0.00 C ATOM 744 CD ARG A 51 -2.378 -1.928 8.618 1.00 0.00 C ATOM 745 NE ARG A 51 -2.264 -3.344 8.957 1.00 0.00 N ATOM 746 CZ ARG A 51 -1.315 -4.140 8.477 1.00 0.00 C ATOM 747 NH1 ARG A 51 -0.403 -3.661 7.643 1.00 0.00 N ATOM 748 NH2 ARG A 51 -1.277 -5.418 8.833 1.00 0.00 N ATOM 0 H ARG A 51 -3.596 -2.740 4.301 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.379 -0.075 5.318 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.092 -2.751 5.799 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.275 -1.323 6.401 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.691 -0.760 7.385 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.915 -2.491 7.229 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.381 -1.499 8.512 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.868 -1.398 9.435 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.950 -3.743 9.597 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.429 -2.679 7.368 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.325 -4.274 7.276 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.977 -5.789 9.475 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.548 -6.029 8.464 1.00 0.00 H new ATOM 762 N ALA A 52 -1.377 0.940 4.262 1.00 0.00 N ATOM 763 CA ALA A 52 -0.297 1.594 3.533 1.00 0.00 C ATOM 764 C ALA A 52 0.233 2.799 4.301 1.00 0.00 C ATOM 765 O ALA A 52 -0.511 3.463 5.024 1.00 0.00 O ATOM 766 CB ALA A 52 -0.773 2.013 2.150 1.00 0.00 C ATOM 0 H ALA A 52 -1.901 1.557 4.882 1.00 0.00 H new ATOM 0 HA ALA A 52 0.519 0.880 3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.043 2.500 1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.096 1.133 1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.608 2.707 2.247 1.00 0.00 H new ATOM 772 N ARG A 53 1.522 3.078 4.140 1.00 0.00 N ATOM 773 CA ARG A 53 2.152 4.203 4.820 1.00 0.00 C ATOM 774 C ARG A 53 2.500 5.311 3.830 1.00 0.00 C ATOM 775 O ARG A 53 3.244 5.093 2.874 1.00 0.00 O ATOM 776 CB ARG A 53 3.414 3.743 5.551 1.00 0.00 C ATOM 777 CG ARG A 53 4.031 4.815 6.434 1.00 0.00 C ATOM 778 CD ARG A 53 5.295 4.315 7.116 1.00 0.00 C ATOM 779 NE ARG A 53 5.764 5.239 8.146 1.00 0.00 N ATOM 780 CZ ARG A 53 6.790 4.985 8.950 1.00 0.00 C ATOM 781 NH1 ARG A 53 7.452 3.841 8.844 1.00 0.00 N ATOM 782 NH2 ARG A 53 7.156 5.876 9.862 1.00 0.00 N ATOM 0 H ARG A 53 2.151 2.540 3.544 1.00 0.00 H new ATOM 0 HA ARG A 53 1.443 4.599 5.547 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.173 2.874 6.163 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.152 3.420 4.817 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.264 5.694 5.833 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.308 5.127 7.188 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.104 3.340 7.564 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.078 4.175 6.371 1.00 0.00 H new ATOM 0 HE ARG A 53 5.276 6.128 8.254 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.174 3.154 8.144 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.240 3.648 9.463 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.649 6.757 9.946 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.944 5.680 10.479 1.00 0.00 H new ATOM 796 N VAL A 54 1.955 6.501 4.065 1.00 0.00 N ATOM 797 CA VAL A 54 2.208 7.643 3.195 1.00 0.00 C ATOM 798 C VAL A 54 3.703 7.844 2.973 1.00 0.00 C ATOM 799 O VAL A 54 4.455 8.078 3.918 1.00 0.00 O ATOM 800 CB VAL A 54 1.609 8.936 3.779 1.00 0.00 C ATOM 801 CG1 VAL A 54 1.906 10.120 2.870 1.00 0.00 C ATOM 802 CG2 VAL A 54 0.111 8.780 3.991 1.00 0.00 C ATOM 0 H VAL A 54 1.335 6.699 4.851 1.00 0.00 H new ATOM 0 HA VAL A 54 1.728 7.427 2.241 1.00 0.00 H new ATOM 0 HB VAL A 54 2.073 9.126 4.747 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.475 11.025 3.299 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.985 10.243 2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.471 9.942 1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.296 9.703 4.404 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.371 8.566 3.037 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.075 7.959 4.684 1.00 0.00 H new ATOM 812 N GLU A 55 4.127 7.750 1.716 1.00 0.00 N ATOM 813 CA GLU A 55 5.533 7.922 1.370 1.00 0.00 C ATOM 814 C GLU A 55 5.826 9.369 0.984 1.00 0.00 C ATOM 815 O GLU A 55 6.801 9.962 1.446 1.00 0.00 O ATOM 816 CB GLU A 55 5.915 6.989 0.219 1.00 0.00 C ATOM 817 CG GLU A 55 5.787 5.514 0.563 1.00 0.00 C ATOM 818 CD GLU A 55 6.660 4.633 -0.310 1.00 0.00 C ATOM 819 OE1 GLU A 55 6.278 4.385 -1.472 1.00 0.00 O ATOM 820 OE2 GLU A 55 7.726 4.193 0.170 1.00 0.00 O ATOM 0 H GLU A 55 3.517 7.556 0.922 1.00 0.00 H new ATOM 0 HA GLU A 55 6.130 7.670 2.247 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.283 7.209 -0.641 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.943 7.196 -0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.056 5.364 1.608 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.746 5.209 0.455 1.00 0.00 H new ATOM 827 N LYS A 56 4.974 9.932 0.133 1.00 0.00 N ATOM 828 CA LYS A 56 5.139 11.309 -0.316 1.00 0.00 C ATOM 829 C LYS A 56 3.804 11.902 -0.754 1.00 0.00 C ATOM 830 O LYS A 56 3.216 11.468 -1.745 1.00 0.00 O ATOM 831 CB LYS A 56 6.142 11.375 -1.470 1.00 0.00 C ATOM 832 CG LYS A 56 5.866 12.500 -2.452 1.00 0.00 C ATOM 833 CD LYS A 56 7.055 12.747 -3.366 1.00 0.00 C ATOM 834 CE LYS A 56 6.956 14.098 -4.056 1.00 0.00 C ATOM 835 NZ LYS A 56 7.400 15.208 -3.168 1.00 0.00 N ATOM 0 H LYS A 56 4.162 9.455 -0.259 1.00 0.00 H new ATOM 0 HA LYS A 56 5.519 11.894 0.521 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.145 11.498 -1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.130 10.426 -2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.990 12.254 -3.052 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.631 13.413 -1.904 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.977 12.700 -2.786 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.109 11.958 -4.116 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.566 14.090 -4.960 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.926 14.272 -4.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.317 16.112 -3.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.802 15.232 -2.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.391 15.056 -2.891 1.00 0.00 H new ATOM 849 N VAL A 57 3.331 12.897 -0.011 1.00 0.00 N ATOM 850 CA VAL A 57 2.066 13.551 -0.324 1.00 0.00 C ATOM 851 C VAL A 57 2.271 14.707 -1.297 1.00 0.00 C ATOM 852 O VAL A 57 2.816 15.748 -0.933 1.00 0.00 O ATOM 853 CB VAL A 57 1.378 14.082 0.948 1.00 0.00 C ATOM 854 CG1 VAL A 57 0.060 14.756 0.600 1.00 0.00 C ATOM 855 CG2 VAL A 57 1.162 12.955 1.946 1.00 0.00 C ATOM 0 H VAL A 57 3.805 13.268 0.812 1.00 0.00 H new ATOM 0 HA VAL A 57 1.427 12.799 -0.787 1.00 0.00 H new ATOM 0 HB VAL A 57 2.028 14.825 1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.412 15.125 1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.246 15.591 -0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.600 14.036 0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.675 13.348 2.839 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.532 12.187 1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.124 12.521 2.219 1.00 0.00 H new ATOM 865 N GLU A 58 1.831 14.515 -2.537 1.00 0.00 N ATOM 866 CA GLU A 58 1.967 15.542 -3.563 1.00 0.00 C ATOM 867 C GLU A 58 0.784 16.505 -3.529 1.00 0.00 C ATOM 868 O GLU A 58 0.940 17.686 -3.217 1.00 0.00 O ATOM 869 CB GLU A 58 2.077 14.900 -4.947 1.00 0.00 C ATOM 870 CG GLU A 58 3.488 14.466 -5.307 1.00 0.00 C ATOM 871 CD GLU A 58 4.396 15.639 -5.623 1.00 0.00 C ATOM 872 OE1 GLU A 58 4.494 16.557 -4.784 1.00 0.00 O ATOM 873 OE2 GLU A 58 5.010 15.637 -6.711 1.00 0.00 O ATOM 0 H GLU A 58 1.378 13.658 -2.855 1.00 0.00 H new ATOM 0 HA GLU A 58 2.877 16.105 -3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.417 14.033 -4.989 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.722 15.608 -5.696 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.911 13.896 -4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.450 13.798 -6.168 1.00 0.00 H new ATOM 880 N SER A 59 -0.398 15.992 -3.853 1.00 0.00 N ATOM 881 CA SER A 59 -1.608 16.807 -3.865 1.00 0.00 C ATOM 882 C SER A 59 -2.828 15.973 -3.485 1.00 0.00 C ATOM 883 O SER A 59 -2.811 14.743 -3.534 1.00 0.00 O ATOM 884 CB SER A 59 -1.814 17.433 -5.245 1.00 0.00 C ATOM 885 OG SER A 59 -0.574 17.648 -5.898 1.00 0.00 O ATOM 0 H SER A 59 -0.544 15.016 -4.111 1.00 0.00 H new ATOM 0 HA SER A 59 -1.488 17.601 -3.128 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.441 16.781 -5.854 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.344 18.380 -5.143 1.00 0.00 H new ATOM 0 HG SER A 59 -0.733 18.047 -6.779 1.00 0.00 H new ATOM 891 N PRO A 60 -3.913 16.658 -3.096 1.00 0.00 N ATOM 892 CA PRO A 60 -5.163 16.003 -2.700 1.00 0.00 C ATOM 893 C PRO A 60 -5.599 14.935 -3.697 1.00 0.00 C ATOM 894 O PRO A 60 -6.428 14.081 -3.384 1.00 0.00 O ATOM 895 CB PRO A 60 -6.173 17.152 -2.671 1.00 0.00 C ATOM 896 CG PRO A 60 -5.355 18.370 -2.412 1.00 0.00 C ATOM 897 CD PRO A 60 -4.004 18.126 -3.013 1.00 0.00 C ATOM 0 HA PRO A 60 -5.065 15.480 -1.749 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.711 17.230 -3.616 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.919 17.003 -1.891 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.821 19.249 -2.856 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.273 18.559 -1.342 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.915 18.588 -3.996 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.210 18.541 -2.392 1.00 0.00 H new ATOM 905 N ALA A 61 -5.035 14.990 -4.900 1.00 0.00 N ATOM 906 CA ALA A 61 -5.364 14.026 -5.942 1.00 0.00 C ATOM 907 C ALA A 61 -4.236 13.017 -6.133 1.00 0.00 C ATOM 908 O ALA A 61 -4.447 11.929 -6.669 1.00 0.00 O ATOM 909 CB ALA A 61 -5.660 14.744 -7.251 1.00 0.00 C ATOM 0 H ALA A 61 -4.348 15.692 -5.176 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.255 13.481 -5.630 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.904 14.012 -8.021 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.504 15.420 -7.112 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.784 15.315 -7.559 1.00 0.00 H new ATOM 915 N LYS A 62 -3.039 13.386 -5.692 1.00 0.00 N ATOM 916 CA LYS A 62 -1.876 12.514 -5.813 1.00 0.00 C ATOM 917 C LYS A 62 -1.197 12.322 -4.461 1.00 0.00 C ATOM 918 O LYS A 62 -0.672 13.272 -3.879 1.00 0.00 O ATOM 919 CB LYS A 62 -0.880 13.095 -6.819 1.00 0.00 C ATOM 920 CG LYS A 62 -1.393 13.102 -8.249 1.00 0.00 C ATOM 921 CD LYS A 62 -0.258 12.958 -9.249 1.00 0.00 C ATOM 922 CE LYS A 62 -0.743 12.356 -10.559 1.00 0.00 C ATOM 923 NZ LYS A 62 -1.318 13.388 -11.465 1.00 0.00 N ATOM 0 H LYS A 62 -2.848 14.284 -5.247 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.217 11.542 -6.169 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.633 14.115 -6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.044 12.519 -6.776 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.105 12.288 -8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.931 14.031 -8.439 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.187 13.935 -9.439 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.524 12.328 -8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.087 11.856 -11.058 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.495 11.595 -10.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.637 12.937 -12.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.126 13.848 -10.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.593 14.101 -11.683 1.00 0.00 H new ATOM 937 N ILE A 63 -1.208 11.088 -3.968 1.00 0.00 N ATOM 938 CA ILE A 63 -0.590 10.772 -2.686 1.00 0.00 C ATOM 939 C ILE A 63 0.244 9.499 -2.777 1.00 0.00 C ATOM 940 O ILE A 63 -0.295 8.399 -2.907 1.00 0.00 O ATOM 941 CB ILE A 63 -1.647 10.603 -1.579 1.00 0.00 C ATOM 942 CG1 ILE A 63 -2.740 11.665 -1.720 1.00 0.00 C ATOM 943 CG2 ILE A 63 -0.994 10.686 -0.207 1.00 0.00 C ATOM 944 CD1 ILE A 63 -2.313 13.038 -1.249 1.00 0.00 C ATOM 0 H ILE A 63 -1.638 10.291 -4.437 1.00 0.00 H new ATOM 0 HA ILE A 63 0.059 11.610 -2.432 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.107 9.620 -1.683 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.043 11.726 -2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.616 11.351 -1.152 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.754 10.565 0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.249 9.896 -0.110 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.511 11.656 -0.092 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.137 13.740 -1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.038 12.992 -0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.456 13.373 -1.834 1.00 0.00 H new ATOM 956 N HIS A 64 1.562 9.655 -2.705 1.00 0.00 N ATOM 957 CA HIS A 64 2.471 8.517 -2.776 1.00 0.00 C ATOM 958 C HIS A 64 2.390 7.676 -1.505 1.00 0.00 C ATOM 959 O HIS A 64 2.550 8.190 -0.398 1.00 0.00 O ATOM 960 CB HIS A 64 3.906 8.996 -2.994 1.00 0.00 C ATOM 961 CG HIS A 64 4.070 9.868 -4.201 1.00 0.00 C ATOM 962 ND1 HIS A 64 4.895 9.544 -5.257 1.00 0.00 N ATOM 963 CD2 HIS A 64 3.507 11.058 -4.516 1.00 0.00 C ATOM 964 CE1 HIS A 64 4.833 10.498 -6.169 1.00 0.00 C ATOM 965 NE2 HIS A 64 3.998 11.429 -5.744 1.00 0.00 N ATOM 0 H HIS A 64 2.024 10.558 -2.598 1.00 0.00 H new ATOM 0 HA HIS A 64 2.171 7.897 -3.621 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.235 9.545 -2.112 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.559 8.129 -3.091 1.00 0.00 H new ATOM 0 HD1 HIS A 64 5.464 8.700 -5.324 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.803 11.613 -3.914 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.374 10.514 -7.104 1.00 0.00 H new ATOM 973 N VAL A 65 2.141 6.381 -1.673 1.00 0.00 N ATOM 974 CA VAL A 65 2.039 5.470 -0.539 1.00 0.00 C ATOM 975 C VAL A 65 2.657 4.115 -0.866 1.00 0.00 C ATOM 976 O VAL A 65 3.043 3.856 -2.006 1.00 0.00 O ATOM 977 CB VAL A 65 0.573 5.263 -0.115 1.00 0.00 C ATOM 978 CG1 VAL A 65 0.062 6.476 0.649 1.00 0.00 C ATOM 979 CG2 VAL A 65 -0.299 4.982 -1.330 1.00 0.00 C ATOM 0 H VAL A 65 2.006 5.940 -2.583 1.00 0.00 H new ATOM 0 HA VAL A 65 2.587 5.928 0.285 1.00 0.00 H new ATOM 0 HB VAL A 65 0.523 4.398 0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.975 6.312 0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.670 6.627 1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.125 7.359 0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.331 4.838 -1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.246 5.825 -2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.055 4.081 -1.831 1.00 0.00 H new ATOM 989 N PHE A 66 2.749 3.254 0.142 1.00 0.00 N ATOM 990 CA PHE A 66 3.322 1.925 -0.038 1.00 0.00 C ATOM 991 C PHE A 66 2.561 0.889 0.785 1.00 0.00 C ATOM 992 O PHE A 66 2.489 0.985 2.010 1.00 0.00 O ATOM 993 CB PHE A 66 4.799 1.925 0.360 1.00 0.00 C ATOM 994 CG PHE A 66 5.348 0.552 0.623 1.00 0.00 C ATOM 995 CD1 PHE A 66 5.903 -0.195 -0.404 1.00 0.00 C ATOM 996 CD2 PHE A 66 5.311 0.008 1.897 1.00 0.00 C ATOM 997 CE1 PHE A 66 6.408 -1.459 -0.165 1.00 0.00 C ATOM 998 CE2 PHE A 66 5.816 -1.255 2.142 1.00 0.00 C ATOM 999 CZ PHE A 66 6.366 -1.989 1.110 1.00 0.00 C ATOM 0 H PHE A 66 2.434 3.453 1.092 1.00 0.00 H new ATOM 0 HA PHE A 66 3.237 1.659 -1.092 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.381 2.395 -0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.926 2.536 1.254 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.941 0.215 -1.402 1.00 0.00 H new ATOM 0 HD2 PHE A 66 4.882 0.578 2.708 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.835 -2.032 -0.975 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.780 -1.667 3.140 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.763 -2.976 1.299 1.00 0.00 H new ATOM 1009 N TYR A 67 1.994 -0.099 0.102 1.00 0.00 N ATOM 1010 CA TYR A 67 1.236 -1.151 0.769 1.00 0.00 C ATOM 1011 C TYR A 67 2.144 -2.000 1.654 1.00 0.00 C ATOM 1012 O TYR A 67 2.977 -2.760 1.159 1.00 0.00 O ATOM 1013 CB TYR A 67 0.538 -2.038 -0.264 1.00 0.00 C ATOM 1014 CG TYR A 67 -0.555 -1.329 -1.031 1.00 0.00 C ATOM 1015 CD1 TYR A 67 -0.248 -0.411 -2.027 1.00 0.00 C ATOM 1016 CD2 TYR A 67 -1.895 -1.579 -0.760 1.00 0.00 C ATOM 1017 CE1 TYR A 67 -1.244 0.240 -2.730 1.00 0.00 C ATOM 1018 CE2 TYR A 67 -2.897 -0.934 -1.458 1.00 0.00 C ATOM 1019 CZ TYR A 67 -2.567 -0.025 -2.442 1.00 0.00 C ATOM 1020 OH TYR A 67 -3.561 0.619 -3.141 1.00 0.00 O ATOM 0 H TYR A 67 2.045 -0.194 -0.912 1.00 0.00 H new ATOM 0 HA TYR A 67 0.484 -0.678 1.400 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.280 -2.413 -0.969 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.112 -2.904 0.242 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.787 -0.202 -2.256 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.157 -2.290 0.010 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.988 0.952 -3.501 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.933 -1.140 -1.235 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.436 0.319 -2.817 1.00 0.00 H new ATOM 1030 N ILE A 68 1.976 -1.864 2.965 1.00 0.00 N ATOM 1031 CA ILE A 68 2.778 -2.619 3.920 1.00 0.00 C ATOM 1032 C ILE A 68 2.211 -4.019 4.129 1.00 0.00 C ATOM 1033 O ILE A 68 2.527 -4.687 5.113 1.00 0.00 O ATOM 1034 CB ILE A 68 2.857 -1.901 5.280 1.00 0.00 C ATOM 1035 CG1 ILE A 68 1.551 -2.086 6.055 1.00 0.00 C ATOM 1036 CG2 ILE A 68 3.158 -0.423 5.082 1.00 0.00 C ATOM 1037 CD1 ILE A 68 1.582 -1.483 7.443 1.00 0.00 C ATOM 0 H ILE A 68 1.292 -1.238 3.390 1.00 0.00 H new ATOM 0 HA ILE A 68 3.781 -2.695 3.499 1.00 0.00 H new ATOM 0 HB ILE A 68 3.667 -2.342 5.861 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.735 -1.635 5.490 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.333 -3.151 6.135 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.211 0.071 6.052 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.112 -0.312 4.566 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.368 0.033 4.486 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.624 -1.652 7.934 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.376 -1.951 8.025 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.769 -0.412 7.370 1.00 0.00 H new ATOM 1049 N ASP A 69 1.374 -4.458 3.195 1.00 0.00 N ATOM 1050 CA ASP A 69 0.765 -5.780 3.274 1.00 0.00 C ATOM 1051 C ASP A 69 1.308 -6.696 2.181 1.00 0.00 C ATOM 1052 O ASP A 69 1.440 -7.904 2.378 1.00 0.00 O ATOM 1053 CB ASP A 69 -0.756 -5.673 3.157 1.00 0.00 C ATOM 1054 CG ASP A 69 -1.315 -4.497 3.934 1.00 0.00 C ATOM 1055 OD1 ASP A 69 -0.582 -3.943 4.779 1.00 0.00 O ATOM 1056 OD2 ASP A 69 -2.485 -4.131 3.697 1.00 0.00 O ATOM 0 H ASP A 69 1.102 -3.917 2.374 1.00 0.00 H new ATOM 0 HA ASP A 69 1.018 -6.211 4.243 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.031 -5.574 2.107 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.211 -6.594 3.520 1.00 0.00 H new ATOM 1061 N TYR A 70 1.622 -6.112 1.030 1.00 0.00 N ATOM 1062 CA TYR A 70 2.147 -6.875 -0.096 1.00 0.00 C ATOM 1063 C TYR A 70 3.555 -6.412 -0.458 1.00 0.00 C ATOM 1064 O TYR A 70 4.429 -7.223 -0.762 1.00 0.00 O ATOM 1065 CB TYR A 70 1.225 -6.736 -1.308 1.00 0.00 C ATOM 1066 CG TYR A 70 -0.199 -7.166 -1.038 1.00 0.00 C ATOM 1067 CD1 TYR A 70 -1.046 -6.384 -0.262 1.00 0.00 C ATOM 1068 CD2 TYR A 70 -0.699 -8.353 -1.560 1.00 0.00 C ATOM 1069 CE1 TYR A 70 -2.348 -6.774 -0.012 1.00 0.00 C ATOM 1070 CE2 TYR A 70 -1.999 -8.749 -1.316 1.00 0.00 C ATOM 1071 CZ TYR A 70 -2.820 -7.956 -0.541 1.00 0.00 C ATOM 1072 OH TYR A 70 -4.116 -8.347 -0.295 1.00 0.00 O ATOM 0 H TYR A 70 1.522 -5.113 0.852 1.00 0.00 H new ATOM 0 HA TYR A 70 2.193 -7.924 0.198 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.226 -5.697 -1.637 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.626 -7.331 -2.129 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.681 -5.456 0.153 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.060 -8.977 -2.167 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.993 -6.156 0.595 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.371 -9.675 -1.730 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.720 -7.591 -0.447 1.00 0.00 H new ATOM 1082 N GLY A 71 3.767 -5.100 -0.422 1.00 0.00 N ATOM 1083 CA GLY A 71 5.070 -4.550 -0.748 1.00 0.00 C ATOM 1084 C GLY A 71 5.085 -3.855 -2.095 1.00 0.00 C ATOM 1085 O GLY A 71 6.024 -4.017 -2.874 1.00 0.00 O ATOM 0 H GLY A 71 3.060 -4.408 -0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.366 -3.842 0.026 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.810 -5.351 -0.747 1.00 0.00 H new ATOM 1089 N ASN A 72 4.042 -3.080 -2.372 1.00 0.00 N ATOM 1090 CA ASN A 72 3.938 -2.360 -3.636 1.00 0.00 C ATOM 1091 C ASN A 72 3.611 -0.889 -3.398 1.00 0.00 C ATOM 1092 O ASN A 72 2.982 -0.535 -2.400 1.00 0.00 O ATOM 1093 CB ASN A 72 2.866 -2.996 -4.523 1.00 0.00 C ATOM 1094 CG ASN A 72 1.461 -2.704 -4.031 1.00 0.00 C ATOM 1095 OD1 ASN A 72 1.027 -3.235 -3.008 1.00 0.00 O ATOM 1096 ND2 ASN A 72 0.743 -1.856 -4.758 1.00 0.00 N ATOM 0 H ASN A 72 3.256 -2.934 -1.738 1.00 0.00 H new ATOM 0 HA ASN A 72 4.902 -2.423 -4.142 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.975 -2.626 -5.542 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.019 -4.075 -4.557 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.209 -1.621 -4.476 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.143 -1.439 -5.599 1.00 0.00 H new ATOM 1103 N ARG A 73 4.040 -0.036 -4.322 1.00 0.00 N ATOM 1104 CA ARG A 73 3.793 1.397 -4.213 1.00 0.00 C ATOM 1105 C ARG A 73 2.830 1.867 -5.299 1.00 0.00 C ATOM 1106 O ARG A 73 2.870 1.383 -6.429 1.00 0.00 O ATOM 1107 CB ARG A 73 5.109 2.172 -4.314 1.00 0.00 C ATOM 1108 CG ARG A 73 6.232 1.576 -3.481 1.00 0.00 C ATOM 1109 CD ARG A 73 7.596 2.004 -3.998 1.00 0.00 C ATOM 1110 NE ARG A 73 8.627 1.906 -2.969 1.00 0.00 N ATOM 1111 CZ ARG A 73 9.896 2.250 -3.163 1.00 0.00 C ATOM 1112 NH1 ARG A 73 10.287 2.711 -4.343 1.00 0.00 N ATOM 1113 NH2 ARG A 73 10.775 2.133 -2.177 1.00 0.00 N ATOM 0 H ARG A 73 4.560 -0.312 -5.155 1.00 0.00 H new ATOM 0 HA ARG A 73 3.339 1.589 -3.241 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.421 2.207 -5.358 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.940 3.201 -3.997 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.121 1.888 -2.442 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.160 0.488 -3.497 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.873 1.381 -4.849 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.541 3.031 -4.359 1.00 0.00 H new ATOM 0 HE ARG A 73 8.358 1.554 -2.050 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.613 2.802 -5.104 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.261 2.975 -4.490 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.478 1.779 -1.268 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.749 2.397 -2.328 1.00 0.00 H new ATOM 1127 N GLU A 74 1.964 2.812 -4.946 1.00 0.00 N ATOM 1128 CA GLU A 74 0.990 3.346 -5.891 1.00 0.00 C ATOM 1129 C GLU A 74 0.585 4.767 -5.511 1.00 0.00 C ATOM 1130 O GLU A 74 0.336 5.062 -4.342 1.00 0.00 O ATOM 1131 CB GLU A 74 -0.248 2.448 -5.942 1.00 0.00 C ATOM 1132 CG GLU A 74 -1.207 2.797 -7.068 1.00 0.00 C ATOM 1133 CD GLU A 74 -0.785 2.203 -8.398 1.00 0.00 C ATOM 1134 OE1 GLU A 74 -0.050 1.193 -8.390 1.00 0.00 O ATOM 1135 OE2 GLU A 74 -1.189 2.747 -9.446 1.00 0.00 O ATOM 0 H GLU A 74 1.917 3.223 -4.014 1.00 0.00 H new ATOM 0 HA GLU A 74 1.454 3.371 -6.877 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.070 1.411 -6.055 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.776 2.518 -4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.205 2.439 -6.815 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.272 3.881 -7.162 1.00 0.00 H new ATOM 1142 N VAL A 75 0.523 5.645 -6.507 1.00 0.00 N ATOM 1143 CA VAL A 75 0.148 7.035 -6.279 1.00 0.00 C ATOM 1144 C VAL A 75 -1.364 7.216 -6.350 1.00 0.00 C ATOM 1145 O VAL A 75 -1.933 7.356 -7.433 1.00 0.00 O ATOM 1146 CB VAL A 75 0.815 7.972 -7.304 1.00 0.00 C ATOM 1147 CG1 VAL A 75 0.353 9.406 -7.097 1.00 0.00 C ATOM 1148 CG2 VAL A 75 2.330 7.872 -7.210 1.00 0.00 C ATOM 0 H VAL A 75 0.728 5.418 -7.480 1.00 0.00 H new ATOM 0 HA VAL A 75 0.495 7.296 -5.279 1.00 0.00 H new ATOM 0 HB VAL A 75 0.515 7.660 -8.304 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.835 10.053 -7.830 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.729 9.461 -7.220 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.621 9.733 -6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.785 8.540 -7.941 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.652 8.157 -6.208 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.640 6.847 -7.413 1.00 0.00 H new ATOM 1158 N LEU A 76 -2.009 7.213 -5.189 1.00 0.00 N ATOM 1159 CA LEU A 76 -3.457 7.377 -5.118 1.00 0.00 C ATOM 1160 C LEU A 76 -3.823 8.688 -4.428 1.00 0.00 C ATOM 1161 O LEU A 76 -3.080 9.210 -3.598 1.00 0.00 O ATOM 1162 CB LEU A 76 -4.088 6.201 -4.370 1.00 0.00 C ATOM 1163 CG LEU A 76 -3.616 4.808 -4.790 1.00 0.00 C ATOM 1164 CD1 LEU A 76 -3.704 3.840 -3.621 1.00 0.00 C ATOM 1165 CD2 LEU A 76 -4.436 4.300 -5.968 1.00 0.00 C ATOM 0 H LEU A 76 -1.553 7.099 -4.284 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.845 7.402 -6.136 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.889 6.325 -3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.169 6.251 -4.500 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.574 4.877 -5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.364 2.854 -3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.074 4.196 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.737 3.775 -3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.087 3.308 -6.254 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.487 4.247 -5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.322 4.981 -6.811 1.00 0.00 H new ATOM 1177 N PRO A 77 -4.998 9.232 -4.778 1.00 0.00 N ATOM 1178 CA PRO A 77 -5.491 10.487 -4.203 1.00 0.00 C ATOM 1179 C PRO A 77 -5.885 10.338 -2.737 1.00 0.00 C ATOM 1180 O PRO A 77 -5.894 9.232 -2.197 1.00 0.00 O ATOM 1181 CB PRO A 77 -6.720 10.810 -5.056 1.00 0.00 C ATOM 1182 CG PRO A 77 -7.179 9.491 -5.575 1.00 0.00 C ATOM 1183 CD PRO A 77 -5.936 8.665 -5.761 1.00 0.00 C ATOM 0 HA PRO A 77 -4.730 11.267 -4.215 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.497 11.294 -4.464 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.469 11.490 -5.870 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.864 9.013 -4.875 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.715 9.607 -6.517 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.124 7.608 -5.573 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.549 8.744 -6.777 1.00 0.00 H new ATOM 1191 N SER A 78 -6.211 11.458 -2.100 1.00 0.00 N ATOM 1192 CA SER A 78 -6.603 11.451 -0.695 1.00 0.00 C ATOM 1193 C SER A 78 -8.012 10.891 -0.527 1.00 0.00 C ATOM 1194 O SER A 78 -8.510 10.753 0.591 1.00 0.00 O ATOM 1195 CB SER A 78 -6.532 12.866 -0.117 1.00 0.00 C ATOM 1196 OG SER A 78 -5.246 13.136 0.414 1.00 0.00 O ATOM 0 H SER A 78 -6.212 12.381 -2.534 1.00 0.00 H new ATOM 0 HA SER A 78 -5.909 10.809 -0.153 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.767 13.592 -0.895 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.283 12.981 0.664 1.00 0.00 H new ATOM 0 HG SER A 78 -5.116 14.105 0.480 1.00 0.00 H new ATOM 1202 N THR A 79 -8.652 10.570 -1.647 1.00 0.00 N ATOM 1203 CA THR A 79 -10.004 10.026 -1.626 1.00 0.00 C ATOM 1204 C THR A 79 -9.993 8.538 -1.295 1.00 0.00 C ATOM 1205 O THR A 79 -10.845 8.051 -0.552 1.00 0.00 O ATOM 1206 CB THR A 79 -10.715 10.235 -2.976 1.00 0.00 C ATOM 1207 OG1 THR A 79 -9.991 9.574 -4.019 1.00 0.00 O ATOM 1208 CG2 THR A 79 -10.840 11.717 -3.298 1.00 0.00 C ATOM 0 H THR A 79 -8.255 10.678 -2.581 1.00 0.00 H new ATOM 0 HA THR A 79 -10.549 10.564 -0.850 1.00 0.00 H new ATOM 0 HB THR A 79 -11.716 9.809 -2.904 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.451 9.710 -4.874 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.345 11.840 -4.256 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.418 12.212 -2.517 1.00 0.00 H new ATOM 0 HG23 THR A 79 -9.847 12.163 -3.352 1.00 0.00 H new ATOM 1216 N ARG A 80 -9.023 7.820 -1.851 1.00 0.00 N ATOM 1217 CA ARG A 80 -8.902 6.386 -1.616 1.00 0.00 C ATOM 1218 C ARG A 80 -8.237 6.111 -0.270 1.00 0.00 C ATOM 1219 O ARG A 80 -8.112 4.959 0.149 1.00 0.00 O ATOM 1220 CB ARG A 80 -8.097 5.730 -2.738 1.00 0.00 C ATOM 1221 CG ARG A 80 -8.175 6.475 -4.061 1.00 0.00 C ATOM 1222 CD ARG A 80 -7.944 5.544 -5.240 1.00 0.00 C ATOM 1223 NE ARG A 80 -8.385 6.136 -6.500 1.00 0.00 N ATOM 1224 CZ ARG A 80 -8.439 5.468 -7.647 1.00 0.00 C ATOM 1225 NH1 ARG A 80 -8.082 4.192 -7.692 1.00 0.00 N ATOM 1226 NH2 ARG A 80 -8.851 6.077 -8.752 1.00 0.00 N ATOM 0 H ARG A 80 -8.309 8.208 -2.468 1.00 0.00 H new ATOM 0 HA ARG A 80 -9.905 5.959 -1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -7.053 5.660 -2.431 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -8.456 4.711 -2.883 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.152 6.948 -4.156 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.432 7.272 -4.075 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -6.884 5.299 -5.306 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -8.478 4.608 -5.073 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.667 7.116 -6.499 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.765 3.721 -6.845 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -8.124 3.681 -8.574 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -9.126 7.059 -8.721 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -8.892 5.563 -9.632 1.00 0.00 H new ATOM 1240 N LEU A 81 -7.811 7.175 0.402 1.00 0.00 N ATOM 1241 CA LEU A 81 -7.158 7.048 1.700 1.00 0.00 C ATOM 1242 C LEU A 81 -8.131 7.361 2.832 1.00 0.00 C ATOM 1243 O LEU A 81 -8.942 8.280 2.731 1.00 0.00 O ATOM 1244 CB LEU A 81 -5.949 7.983 1.779 1.00 0.00 C ATOM 1245 CG LEU A 81 -4.827 7.714 0.776 1.00 0.00 C ATOM 1246 CD1 LEU A 81 -3.780 8.816 0.838 1.00 0.00 C ATOM 1247 CD2 LEU A 81 -4.191 6.357 1.038 1.00 0.00 C ATOM 0 H LEU A 81 -7.906 8.135 0.070 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.821 6.017 1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.297 9.007 1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.533 7.922 2.785 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.256 7.704 -0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.989 8.608 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.245 9.773 0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.355 8.858 1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.395 6.183 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.776 6.338 2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.946 5.577 0.942 1.00 0.00 H new ATOM 1259 N GLY A 82 -8.042 6.590 3.912 1.00 0.00 N ATOM 1260 CA GLY A 82 -8.919 6.802 5.049 1.00 0.00 C ATOM 1261 C GLY A 82 -8.217 6.577 6.373 1.00 0.00 C ATOM 1262 O GLY A 82 -7.067 6.137 6.409 1.00 0.00 O ATOM 0 H GLY A 82 -7.379 5.823 4.020 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.311 7.819 5.017 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.773 6.129 4.975 1.00 0.00 H new ATOM 1266 N THR A 83 -8.908 6.881 7.467 1.00 0.00 N ATOM 1267 CA THR A 83 -8.343 6.712 8.800 1.00 0.00 C ATOM 1268 C THR A 83 -8.219 5.236 9.161 1.00 0.00 C ATOM 1269 O THR A 83 -9.222 4.537 9.314 1.00 0.00 O ATOM 1270 CB THR A 83 -9.200 7.420 9.867 1.00 0.00 C ATOM 1271 OG1 THR A 83 -9.601 8.711 9.396 1.00 0.00 O ATOM 1272 CG2 THR A 83 -8.428 7.567 11.170 1.00 0.00 C ATOM 0 H THR A 83 -9.860 7.246 7.456 1.00 0.00 H new ATOM 0 HA THR A 83 -7.351 7.164 8.783 1.00 0.00 H new ATOM 0 HB THR A 83 -10.085 6.811 10.054 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.147 9.154 10.079 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.053 8.070 11.908 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.150 6.581 11.541 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.528 8.156 10.995 1.00 0.00 H new ATOM 1280 N LEU A 84 -6.983 4.768 9.298 1.00 0.00 N ATOM 1281 CA LEU A 84 -6.728 3.373 9.643 1.00 0.00 C ATOM 1282 C LEU A 84 -7.115 3.091 11.091 1.00 0.00 C ATOM 1283 O LEU A 84 -6.566 3.686 12.018 1.00 0.00 O ATOM 1284 CB LEU A 84 -5.252 3.035 9.422 1.00 0.00 C ATOM 1285 CG LEU A 84 -4.746 1.764 10.104 1.00 0.00 C ATOM 1286 CD1 LEU A 84 -5.502 0.547 9.595 1.00 0.00 C ATOM 1287 CD2 LEU A 84 -3.250 1.598 9.879 1.00 0.00 C ATOM 0 H LEU A 84 -6.143 5.333 9.176 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.339 2.746 8.994 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.078 2.942 8.350 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.651 3.875 9.771 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.925 1.854 11.176 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.128 -0.348 10.092 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.565 0.663 9.809 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.356 0.452 8.519 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.907 0.688 10.371 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.048 1.530 8.810 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.722 2.457 10.294 1.00 0.00 H new ATOM 1299 N SER A 85 -8.063 2.178 11.277 1.00 0.00 N ATOM 1300 CA SER A 85 -8.525 1.817 12.612 1.00 0.00 C ATOM 1301 C SER A 85 -7.406 1.159 13.415 1.00 0.00 C ATOM 1302 O SER A 85 -6.572 0.428 12.881 1.00 0.00 O ATOM 1303 CB SER A 85 -9.726 0.873 12.522 1.00 0.00 C ATOM 1304 OG SER A 85 -10.115 0.419 13.806 1.00 0.00 O ATOM 0 H SER A 85 -8.526 1.675 10.520 1.00 0.00 H new ATOM 0 HA SER A 85 -8.828 2.731 13.124 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.561 1.387 12.046 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.475 0.020 11.892 1.00 0.00 H new ATOM 0 HG SER A 85 -10.885 -0.181 13.721 1.00 0.00 H new ATOM 1310 N PRO A 86 -7.388 1.425 14.729 1.00 0.00 N ATOM 1311 CA PRO A 86 -6.378 0.869 15.635 1.00 0.00 C ATOM 1312 C PRO A 86 -6.547 -0.632 15.841 1.00 0.00 C ATOM 1313 O PRO A 86 -5.628 -1.314 16.294 1.00 0.00 O ATOM 1314 CB PRO A 86 -6.625 1.620 16.946 1.00 0.00 C ATOM 1315 CG PRO A 86 -8.057 2.028 16.885 1.00 0.00 C ATOM 1316 CD PRO A 86 -8.351 2.288 15.433 1.00 0.00 C ATOM 0 HA PRO A 86 -5.368 0.990 15.242 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.431 0.984 17.809 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.970 2.487 17.035 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.703 1.244 17.280 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -8.235 2.920 17.485 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.380 2.032 15.179 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.211 3.338 15.177 1.00 0.00 H new ATOM 1324 N ALA A 87 -7.728 -1.141 15.505 1.00 0.00 N ATOM 1325 CA ALA A 87 -8.017 -2.563 15.651 1.00 0.00 C ATOM 1326 C ALA A 87 -7.410 -3.366 14.506 1.00 0.00 C ATOM 1327 O ALA A 87 -6.967 -4.499 14.695 1.00 0.00 O ATOM 1328 CB ALA A 87 -9.519 -2.792 15.721 1.00 0.00 C ATOM 0 H ALA A 87 -8.500 -0.590 15.130 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.565 -2.907 16.581 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.720 -3.858 15.830 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.929 -2.256 16.577 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.986 -2.426 14.806 1.00 0.00 H new ATOM 1334 N PHE A 88 -7.395 -2.774 13.316 1.00 0.00 N ATOM 1335 CA PHE A 88 -6.844 -3.436 12.139 1.00 0.00 C ATOM 1336 C PHE A 88 -5.447 -2.911 11.824 1.00 0.00 C ATOM 1337 O PHE A 88 -4.773 -3.409 10.922 1.00 0.00 O ATOM 1338 CB PHE A 88 -7.763 -3.227 10.934 1.00 0.00 C ATOM 1339 CG PHE A 88 -9.217 -3.442 11.245 1.00 0.00 C ATOM 1340 CD1 PHE A 88 -9.649 -4.627 11.818 1.00 0.00 C ATOM 1341 CD2 PHE A 88 -10.152 -2.459 10.962 1.00 0.00 C ATOM 1342 CE1 PHE A 88 -10.986 -4.827 12.106 1.00 0.00 C ATOM 1343 CE2 PHE A 88 -11.490 -2.654 11.248 1.00 0.00 C ATOM 1344 CZ PHE A 88 -11.908 -3.840 11.819 1.00 0.00 C ATOM 0 H PHE A 88 -7.758 -1.837 13.141 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.773 -4.502 12.353 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.627 -2.214 10.554 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.465 -3.909 10.137 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.933 -5.404 12.042 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.832 -1.530 10.513 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.309 -5.754 12.555 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.209 -1.879 11.025 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.954 -3.995 12.041 1.00 0.00 H new ATOM 1354 N SER A 89 -5.017 -1.901 12.574 1.00 0.00 N ATOM 1355 CA SER A 89 -3.702 -1.304 12.372 1.00 0.00 C ATOM 1356 C SER A 89 -2.602 -2.350 12.529 1.00 0.00 C ATOM 1357 O SER A 89 -2.671 -3.216 13.402 1.00 0.00 O ATOM 1358 CB SER A 89 -3.480 -0.161 13.364 1.00 0.00 C ATOM 1359 OG SER A 89 -3.425 -0.643 14.695 1.00 0.00 O ATOM 0 H SER A 89 -5.560 -1.479 13.327 1.00 0.00 H new ATOM 0 HA SER A 89 -3.661 -0.908 11.357 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.552 0.358 13.124 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.286 0.567 13.271 1.00 0.00 H new ATOM 0 HG SER A 89 -4.315 -0.948 14.969 1.00 0.00 H new ATOM 1365 N THR A 90 -1.585 -2.262 11.677 1.00 0.00 N ATOM 1366 CA THR A 90 -0.470 -3.200 11.718 1.00 0.00 C ATOM 1367 C THR A 90 -0.005 -3.438 13.150 1.00 0.00 C ATOM 1368 O THR A 90 0.602 -4.465 13.453 1.00 0.00 O ATOM 1369 CB THR A 90 0.720 -2.695 10.881 1.00 0.00 C ATOM 1370 OG1 THR A 90 1.795 -3.639 10.938 1.00 0.00 O ATOM 1371 CG2 THR A 90 1.200 -1.342 11.384 1.00 0.00 C ATOM 0 H THR A 90 -1.511 -1.550 10.950 1.00 0.00 H new ATOM 0 HA THR A 90 -0.830 -4.138 11.295 1.00 0.00 H new ATOM 0 HB THR A 90 0.388 -2.585 9.849 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.471 -4.521 10.661 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.041 -1.006 10.777 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.388 -0.618 11.312 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.515 -1.431 12.424 1.00 0.00 H new ATOM 1379 N ARG A 91 -0.295 -2.483 14.028 1.00 0.00 N ATOM 1380 CA ARG A 91 0.095 -2.589 15.429 1.00 0.00 C ATOM 1381 C ARG A 91 -0.182 -3.990 15.965 1.00 0.00 C ATOM 1382 O ARG A 91 0.472 -4.449 16.902 1.00 0.00 O ATOM 1383 CB ARG A 91 -0.654 -1.553 16.268 1.00 0.00 C ATOM 1384 CG ARG A 91 0.075 -0.225 16.390 1.00 0.00 C ATOM 1385 CD ARG A 91 0.992 -0.202 17.603 1.00 0.00 C ATOM 1386 NE ARG A 91 1.290 1.160 18.038 1.00 0.00 N ATOM 1387 CZ ARG A 91 2.059 1.446 19.083 1.00 0.00 C ATOM 1388 NH1 ARG A 91 2.604 0.470 19.796 1.00 0.00 N ATOM 1389 NH2 ARG A 91 2.284 2.710 19.416 1.00 0.00 N ATOM 0 H ARG A 91 -0.799 -1.627 13.794 1.00 0.00 H new ATOM 0 HA ARG A 91 1.166 -2.397 15.498 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.635 -1.380 15.825 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.822 -1.959 17.266 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.659 -0.045 15.488 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.651 0.584 16.466 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.525 -0.750 18.421 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.922 -0.718 17.364 1.00 0.00 H new ATOM 0 HE ARG A 91 0.886 1.934 17.511 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.433 -0.503 19.543 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.194 0.692 20.598 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.866 3.463 18.870 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.874 2.929 20.218 1.00 0.00 H new ATOM 1403 N VAL A 92 -1.157 -4.666 15.366 1.00 0.00 N ATOM 1404 CA VAL A 92 -1.521 -6.015 15.782 1.00 0.00 C ATOM 1405 C VAL A 92 -0.855 -7.062 14.897 1.00 0.00 C ATOM 1406 O VAL A 92 -0.430 -8.116 15.374 1.00 0.00 O ATOM 1407 CB VAL A 92 -3.047 -6.222 15.744 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -3.426 -7.524 16.433 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -3.760 -5.042 16.387 1.00 0.00 C ATOM 0 H VAL A 92 -1.710 -4.301 14.590 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.171 -6.135 16.807 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.363 -6.285 14.703 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.508 -7.654 16.396 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.943 -8.359 15.925 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.099 -7.494 17.472 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.837 -5.205 16.352 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.441 -4.946 17.425 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.513 -4.129 15.846 1.00 0.00 H new ATOM 1419 N LEU A 93 -0.766 -6.766 13.605 1.00 0.00 N ATOM 1420 CA LEU A 93 -0.151 -7.682 12.650 1.00 0.00 C ATOM 1421 C LEU A 93 1.037 -7.025 11.954 1.00 0.00 C ATOM 1422 O LEU A 93 0.985 -5.864 11.547 1.00 0.00 O ATOM 1423 CB LEU A 93 -1.179 -8.135 11.612 1.00 0.00 C ATOM 1424 CG LEU A 93 -0.841 -9.416 10.848 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -0.888 -10.620 11.777 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -1.795 -9.606 9.678 1.00 0.00 C ATOM 0 H LEU A 93 -1.112 -5.899 13.194 1.00 0.00 H new ATOM 0 HA LEU A 93 0.209 -8.553 13.199 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.135 -8.277 12.115 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.315 -7.330 10.890 1.00 0.00 H new ATOM 0 HG LEU A 93 0.172 -9.325 10.455 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.645 -11.522 11.216 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.165 -10.487 12.582 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.888 -10.714 12.200 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.540 -10.522 9.146 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.817 -9.675 10.050 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.712 -8.757 8.999 1.00 0.00 H new ATOM 1438 N PRO A 94 2.133 -7.785 11.810 1.00 0.00 N ATOM 1439 CA PRO A 94 3.353 -7.298 11.160 1.00 0.00 C ATOM 1440 C PRO A 94 3.172 -7.104 9.658 1.00 0.00 C ATOM 1441 O PRO A 94 2.495 -7.892 8.998 1.00 0.00 O ATOM 1442 CB PRO A 94 4.370 -8.409 11.436 1.00 0.00 C ATOM 1443 CG PRO A 94 3.547 -9.635 11.631 1.00 0.00 C ATOM 1444 CD PRO A 94 2.265 -9.177 12.271 1.00 0.00 C ATOM 0 HA PRO A 94 3.654 -6.321 11.539 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.064 -8.526 10.604 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.967 -8.188 12.321 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.353 -10.130 10.679 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.064 -10.355 12.265 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.418 -9.787 11.956 1.00 0.00 H new ATOM 0 HD3 PRO A 94 2.314 -9.237 13.358 1.00 0.00 H new ATOM 1452 N ALA A 95 3.781 -6.050 9.125 1.00 0.00 N ATOM 1453 CA ALA A 95 3.689 -5.754 7.701 1.00 0.00 C ATOM 1454 C ALA A 95 4.229 -6.909 6.864 1.00 0.00 C ATOM 1455 O ALA A 95 5.435 -7.148 6.827 1.00 0.00 O ATOM 1456 CB ALA A 95 4.439 -4.470 7.379 1.00 0.00 C ATOM 0 H ALA A 95 4.343 -5.387 9.658 1.00 0.00 H new ATOM 0 HA ALA A 95 2.637 -5.619 7.450 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.362 -4.261 6.312 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.005 -3.644 7.943 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.488 -4.583 7.651 1.00 0.00 H new ATOM 1462 N GLN A 96 3.328 -7.620 6.195 1.00 0.00 N ATOM 1463 CA GLN A 96 3.715 -8.751 5.359 1.00 0.00 C ATOM 1464 C GLN A 96 4.278 -8.274 4.025 1.00 0.00 C ATOM 1465 O GLN A 96 4.607 -9.080 3.155 1.00 0.00 O ATOM 1466 CB GLN A 96 2.516 -9.671 5.122 1.00 0.00 C ATOM 1467 CG GLN A 96 1.831 -10.120 6.402 1.00 0.00 C ATOM 1468 CD GLN A 96 2.694 -11.051 7.230 1.00 0.00 C ATOM 1469 OE1 GLN A 96 3.317 -11.973 6.702 1.00 0.00 O ATOM 1470 NE2 GLN A 96 2.735 -10.816 8.536 1.00 0.00 N ATOM 0 H GLN A 96 2.325 -7.434 6.215 1.00 0.00 H new ATOM 0 HA GLN A 96 4.493 -9.308 5.882 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.791 -9.154 4.494 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.847 -10.550 4.569 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.573 -9.244 6.998 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.897 -10.623 6.152 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.203 -10.041 8.932 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.299 -11.411 9.144 1.00 0.00 H new ATOM 1479 N ALA A 97 4.384 -6.959 3.869 1.00 0.00 N ATOM 1480 CA ALA A 97 4.909 -6.375 2.641 1.00 0.00 C ATOM 1481 C ALA A 97 6.338 -6.838 2.379 1.00 0.00 C ATOM 1482 O ALA A 97 7.122 -7.024 3.310 1.00 0.00 O ATOM 1483 CB ALA A 97 4.849 -4.856 2.711 1.00 0.00 C ATOM 0 H ALA A 97 4.113 -6.277 4.578 1.00 0.00 H new ATOM 0 HA ALA A 97 4.288 -6.715 1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.244 -4.433 1.787 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.815 -4.538 2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.445 -4.507 3.554 1.00 0.00 H new