USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 784 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 28 TYR OH : rot -158:sc= 0.814 USER MOD Set 1.2: A 48 THR OG1 : rot -69:sc= 1.47 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.094) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.836 USER MOD Single : A 18 ASN : amide:sc= 0.215 K(o=0.21,f=-3.7!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 36:sc= 0.284 USER MOD Single : A 37 SER OG : rot 180:sc= -0.122 USER MOD Single : A 46 THR OG1 : rot 76:sc= -2.64! USER MOD Single : A 50 SER OG : rot -37:sc= -1.51 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 0.00651 X(o=0.0065,f=0) USER MOD Single : A 57 GLN : amide:sc= -0.0321 X(o=-0.032,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 170:sc= 0.242 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.845 K(o=-0.85,f=-4.4!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot -130:sc= -1.87 USER MOD Single : A 87 SER OG : rot 111:sc= 0.309 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 0:sc= -1.25 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0.0795 X(o=0.08,f=0) USER MOD Single : A 101 ASN : amide:sc= -0.117 K(o=-0.12,f=-0.62) USER MOD Single : A 103 ASN : amide:sc= 0.958 K(o=0.96,f=-0.027) USER MOD Single : A 105 SER OG : rot -51:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 112 N ALA A 10 -8.505 4.500 12.056 1.00 0.00 N ATOM 113 CA ALA A 10 -7.277 4.147 11.354 1.00 0.00 C ATOM 114 C ALA A 10 -7.581 3.512 10.002 1.00 0.00 C ATOM 115 O ALA A 10 -8.180 2.438 9.928 1.00 0.00 O ATOM 116 CB ALA A 10 -6.434 3.208 12.203 1.00 0.00 C ATOM 0 HA ALA A 10 -6.713 5.063 11.177 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.520 2.953 11.666 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.178 3.698 13.142 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.999 2.299 12.410 1.00 0.00 H new ATOM 122 N LYS A 11 -7.164 4.180 8.931 1.00 0.00 N ATOM 123 CA LYS A 11 -7.392 3.680 7.581 1.00 0.00 C ATOM 124 C LYS A 11 -6.347 2.635 7.203 1.00 0.00 C ATOM 125 O LYS A 11 -5.149 2.842 7.398 1.00 0.00 O ATOM 126 CB LYS A 11 -7.363 4.833 6.576 1.00 0.00 C ATOM 127 CG LYS A 11 -8.723 5.476 6.350 1.00 0.00 C ATOM 128 CD LYS A 11 -8.716 6.950 6.727 1.00 0.00 C ATOM 129 CE LYS A 11 -7.862 7.766 5.769 1.00 0.00 C ATOM 130 NZ LYS A 11 -7.688 9.168 6.238 1.00 0.00 N ATOM 0 H LYS A 11 -6.666 5.069 8.973 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.375 3.210 7.556 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.665 5.593 6.927 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.981 4.465 5.624 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.007 5.369 5.303 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.476 4.953 6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.737 7.333 6.722 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.337 7.065 7.742 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.885 7.295 5.662 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.324 7.768 4.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.100 9.691 5.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.618 9.626 6.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.224 9.168 7.169 1.00 0.00 H new ATOM 144 N LYS A 12 -6.808 1.512 6.663 1.00 0.00 N ATOM 145 CA LYS A 12 -5.913 0.435 6.259 1.00 0.00 C ATOM 146 C LYS A 12 -5.686 0.453 4.750 1.00 0.00 C ATOM 147 O LYS A 12 -6.635 0.538 3.970 1.00 0.00 O ATOM 148 CB LYS A 12 -6.486 -0.919 6.684 1.00 0.00 C ATOM 149 CG LYS A 12 -6.021 -1.371 8.059 1.00 0.00 C ATOM 150 CD LYS A 12 -6.566 -2.747 8.406 1.00 0.00 C ATOM 151 CE LYS A 12 -6.957 -2.838 9.872 1.00 0.00 C ATOM 152 NZ LYS A 12 -8.185 -2.050 10.170 1.00 0.00 N ATOM 0 H LYS A 12 -7.796 1.324 6.495 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.954 0.588 6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.574 -0.862 6.678 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.203 -1.671 5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.932 -1.392 8.087 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.345 -0.650 8.809 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.434 -2.964 7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.815 -3.504 8.181 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.122 -3.882 10.139 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.135 -2.477 10.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.562 -2.333 11.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.952 -1.037 10.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.899 -2.230 9.436 1.00 0.00 H new ATOM 166 N VAL A 13 -4.423 0.370 4.346 1.00 0.00 N ATOM 167 CA VAL A 13 -4.071 0.375 2.932 1.00 0.00 C ATOM 168 C VAL A 13 -2.969 -0.636 2.636 1.00 0.00 C ATOM 169 O VAL A 13 -2.011 -0.765 3.398 1.00 0.00 O ATOM 170 CB VAL A 13 -3.606 1.771 2.473 1.00 0.00 C ATOM 171 CG1 VAL A 13 -4.791 2.716 2.352 1.00 0.00 C ATOM 172 CG2 VAL A 13 -2.565 2.328 3.431 1.00 0.00 C ATOM 0 H VAL A 13 -3.626 0.298 4.979 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.971 0.100 2.382 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.146 1.676 1.489 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.443 3.696 2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.498 2.322 1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.283 2.808 3.320 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.248 3.314 3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.996 2.409 4.429 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.704 1.661 3.461 1.00 0.00 H new ATOM 182 N ARG A 14 -3.112 -1.352 1.526 1.00 0.00 N ATOM 183 CA ARG A 14 -2.128 -2.353 1.130 1.00 0.00 C ATOM 184 C ARG A 14 -1.195 -1.802 0.056 1.00 0.00 C ATOM 185 O ARG A 14 -1.645 -1.238 -0.941 1.00 0.00 O ATOM 186 CB ARG A 14 -2.829 -3.614 0.621 1.00 0.00 C ATOM 187 CG ARG A 14 -2.308 -4.896 1.250 1.00 0.00 C ATOM 188 CD ARG A 14 -3.184 -6.086 0.898 1.00 0.00 C ATOM 189 NE ARG A 14 -2.482 -7.355 1.077 1.00 0.00 N ATOM 190 CZ ARG A 14 -2.327 -7.959 2.254 1.00 0.00 C ATOM 191 NH1 ARG A 14 -2.821 -7.411 3.357 1.00 0.00 N ATOM 192 NH2 ARG A 14 -1.678 -9.112 2.326 1.00 0.00 N ATOM 0 H ARG A 14 -3.900 -1.258 0.885 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.531 -2.609 2.006 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -3.898 -3.530 0.819 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.709 -3.675 -0.461 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.289 -5.081 0.911 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.268 -4.781 2.333 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -4.078 -6.075 1.522 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.516 -5.998 -0.136 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.087 -7.805 0.251 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.322 -6.524 3.306 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.700 -7.877 4.256 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.297 -9.537 1.480 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.559 -9.575 3.227 1.00 0.00 H new ATOM 206 N PHE A 15 0.107 -1.968 0.268 1.00 0.00 N ATOM 207 CA PHE A 15 1.104 -1.487 -0.682 1.00 0.00 C ATOM 208 C PHE A 15 1.947 -2.639 -1.217 1.00 0.00 C ATOM 209 O PHE A 15 2.485 -3.438 -0.449 1.00 0.00 O ATOM 210 CB PHE A 15 2.005 -0.443 -0.021 1.00 0.00 C ATOM 211 CG PHE A 15 1.298 0.841 0.305 1.00 0.00 C ATOM 212 CD1 PHE A 15 0.850 1.676 -0.707 1.00 0.00 C ATOM 213 CD2 PHE A 15 1.078 1.211 1.621 1.00 0.00 C ATOM 214 CE1 PHE A 15 0.199 2.859 -0.410 1.00 0.00 C ATOM 215 CE2 PHE A 15 0.427 2.393 1.925 1.00 0.00 C ATOM 216 CZ PHE A 15 -0.014 3.217 0.907 1.00 0.00 C ATOM 0 H PHE A 15 0.496 -2.432 1.089 1.00 0.00 H new ATOM 0 HA PHE A 15 0.580 -1.027 -1.519 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.421 -0.862 0.895 1.00 0.00 H new ATOM 0 HB3 PHE A 15 2.844 -0.228 -0.683 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.011 1.399 -1.738 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.419 0.569 2.420 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.143 3.503 -1.207 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.264 2.671 2.956 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.524 4.140 1.141 1.00 0.00 H new ATOM 226 N TYR A 16 2.059 -2.719 -2.540 1.00 0.00 N ATOM 227 CA TYR A 16 2.838 -3.773 -3.178 1.00 0.00 C ATOM 228 C TYR A 16 4.148 -3.221 -3.732 1.00 0.00 C ATOM 229 O TYR A 16 4.431 -2.030 -3.612 1.00 0.00 O ATOM 230 CB TYR A 16 2.030 -4.423 -4.303 1.00 0.00 C ATOM 231 CG TYR A 16 0.799 -5.157 -3.820 1.00 0.00 C ATOM 232 CD1 TYR A 16 0.908 -6.365 -3.144 1.00 0.00 C ATOM 233 CD2 TYR A 16 -0.471 -4.641 -4.040 1.00 0.00 C ATOM 234 CE1 TYR A 16 -0.214 -7.038 -2.701 1.00 0.00 C ATOM 235 CE2 TYR A 16 -1.599 -5.307 -3.601 1.00 0.00 C ATOM 236 CZ TYR A 16 -1.465 -6.506 -2.933 1.00 0.00 C ATOM 237 OH TYR A 16 -2.585 -7.175 -2.493 1.00 0.00 O ATOM 0 H TYR A 16 1.620 -2.067 -3.190 1.00 0.00 H new ATOM 0 HA TYR A 16 3.070 -4.526 -2.425 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.728 -3.653 -5.013 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.670 -5.121 -4.842 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.886 -6.785 -2.962 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.579 -3.703 -4.563 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.112 -7.976 -2.176 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.580 -4.891 -3.780 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.386 -6.666 -2.735 1.00 0.00 H new ATOM 247 N ARG A 17 4.943 -4.096 -4.340 1.00 0.00 N ATOM 248 CA ARG A 17 6.223 -3.696 -4.913 1.00 0.00 C ATOM 249 C ARG A 17 6.167 -3.718 -6.438 1.00 0.00 C ATOM 250 O ARG A 17 5.810 -4.730 -7.041 1.00 0.00 O ATOM 251 CB ARG A 17 7.339 -4.618 -4.415 1.00 0.00 C ATOM 252 CG ARG A 17 8.558 -3.872 -3.897 1.00 0.00 C ATOM 253 CD ARG A 17 9.736 -4.809 -3.685 1.00 0.00 C ATOM 254 NE ARG A 17 9.599 -5.593 -2.460 1.00 0.00 N ATOM 255 CZ ARG A 17 10.613 -6.208 -1.856 1.00 0.00 C ATOM 256 NH1 ARG A 17 11.839 -6.131 -2.359 1.00 0.00 N ATOM 257 NH2 ARG A 17 10.402 -6.901 -0.746 1.00 0.00 N ATOM 0 H ARG A 17 4.723 -5.086 -4.448 1.00 0.00 H new ATOM 0 HA ARG A 17 6.435 -2.676 -4.591 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.947 -5.253 -3.620 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.645 -5.277 -5.228 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.836 -3.091 -4.605 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.311 -3.378 -2.957 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.822 -5.482 -4.538 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.658 -4.229 -3.643 1.00 0.00 H new ATOM 0 HE ARG A 17 8.672 -5.674 -2.043 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.008 -5.599 -3.212 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.613 -6.604 -1.892 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.462 -6.963 -0.354 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.179 -7.372 -0.283 1.00 0.00 H new ATOM 271 N ASN A 18 6.520 -2.594 -7.054 1.00 0.00 N ATOM 272 CA ASN A 18 6.509 -2.485 -8.509 1.00 0.00 C ATOM 273 C ASN A 18 7.428 -3.525 -9.141 1.00 0.00 C ATOM 274 O ASN A 18 8.650 -3.439 -9.028 1.00 0.00 O ATOM 275 CB ASN A 18 6.938 -1.081 -8.937 1.00 0.00 C ATOM 276 CG ASN A 18 6.682 -0.822 -10.410 1.00 0.00 C ATOM 277 OD1 ASN A 18 6.422 -1.748 -11.178 1.00 0.00 O ATOM 278 ND2 ASN A 18 6.754 0.442 -10.810 1.00 0.00 N ATOM 0 H ASN A 18 6.817 -1.747 -6.569 1.00 0.00 H new ATOM 0 HA ASN A 18 5.492 -2.669 -8.855 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.400 -0.343 -8.342 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.999 -0.948 -8.727 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.591 0.677 -11.789 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.973 1.178 -10.138 1.00 0.00 H new ATOM 285 N GLY A 19 6.830 -4.507 -9.807 1.00 0.00 N ATOM 286 CA GLY A 19 7.609 -5.551 -10.447 1.00 0.00 C ATOM 287 C GLY A 19 7.814 -6.756 -9.551 1.00 0.00 C ATOM 288 O GLY A 19 8.838 -7.433 -9.634 1.00 0.00 O ATOM 0 H GLY A 19 5.820 -4.599 -9.915 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.107 -5.864 -11.362 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.580 -5.149 -10.737 1.00 0.00 H new ATOM 292 N ASP A 20 6.837 -7.023 -8.690 1.00 0.00 N ATOM 293 CA ASP A 20 6.914 -8.155 -7.774 1.00 0.00 C ATOM 294 C ASP A 20 5.521 -8.684 -7.443 1.00 0.00 C ATOM 295 O ASP A 20 4.820 -8.128 -6.597 1.00 0.00 O ATOM 296 CB ASP A 20 7.640 -7.747 -6.489 1.00 0.00 C ATOM 297 CG ASP A 20 8.822 -8.646 -6.183 1.00 0.00 C ATOM 298 OD1 ASP A 20 8.605 -9.743 -5.626 1.00 0.00 O ATOM 299 OD2 ASP A 20 9.964 -8.253 -6.500 1.00 0.00 O ATOM 0 H ASP A 20 5.983 -6.471 -8.608 1.00 0.00 H new ATOM 0 HA ASP A 20 7.476 -8.951 -8.263 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.985 -6.717 -6.581 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.940 -7.776 -5.654 1.00 0.00 H new ATOM 304 N ARG A 21 5.128 -9.759 -8.116 1.00 0.00 N ATOM 305 CA ARG A 21 3.820 -10.364 -7.894 1.00 0.00 C ATOM 306 C ARG A 21 3.861 -11.337 -6.720 1.00 0.00 C ATOM 307 O ARG A 21 2.870 -11.514 -6.013 1.00 0.00 O ATOM 308 CB ARG A 21 3.350 -11.090 -9.157 1.00 0.00 C ATOM 309 CG ARG A 21 4.354 -12.103 -9.683 1.00 0.00 C ATOM 310 CD ARG A 21 4.744 -11.809 -11.124 1.00 0.00 C ATOM 311 NE ARG A 21 5.682 -12.798 -11.650 1.00 0.00 N ATOM 312 CZ ARG A 21 5.935 -12.964 -12.946 1.00 0.00 C ATOM 313 NH1 ARG A 21 5.324 -12.209 -13.850 1.00 0.00 N ATOM 314 NH2 ARG A 21 6.802 -13.887 -13.339 1.00 0.00 N ATOM 0 H ARG A 21 5.696 -10.230 -8.820 1.00 0.00 H new ATOM 0 HA ARG A 21 3.115 -9.567 -7.657 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.409 -11.599 -8.945 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.147 -10.354 -9.935 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.245 -12.093 -9.055 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.929 -13.105 -9.618 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.849 -11.792 -11.746 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.192 -10.817 -11.183 1.00 0.00 H new ATOM 0 HE ARG A 21 6.172 -13.396 -10.985 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.657 -11.497 -13.553 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.522 -12.340 -14.842 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.275 -14.470 -12.648 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.996 -14.014 -14.332 1.00 0.00 H new ATOM 328 N TYR A 22 5.016 -11.964 -6.519 1.00 0.00 N ATOM 329 CA TYR A 22 5.188 -12.919 -5.430 1.00 0.00 C ATOM 330 C TYR A 22 4.929 -12.259 -4.079 1.00 0.00 C ATOM 331 O TYR A 22 4.531 -12.922 -3.121 1.00 0.00 O ATOM 332 CB TYR A 22 6.599 -13.509 -5.461 1.00 0.00 C ATOM 333 CG TYR A 22 6.728 -14.727 -6.348 1.00 0.00 C ATOM 334 CD1 TYR A 22 6.363 -14.675 -7.687 1.00 0.00 C ATOM 335 CD2 TYR A 22 7.214 -15.927 -5.846 1.00 0.00 C ATOM 336 CE1 TYR A 22 6.479 -15.786 -8.501 1.00 0.00 C ATOM 337 CE2 TYR A 22 7.334 -17.042 -6.654 1.00 0.00 C ATOM 338 CZ TYR A 22 6.965 -16.966 -7.981 1.00 0.00 C ATOM 339 OH TYR A 22 7.081 -18.074 -8.787 1.00 0.00 O ATOM 0 H TYR A 22 5.846 -11.828 -7.096 1.00 0.00 H new ATOM 0 HA TYR A 22 4.462 -13.721 -5.566 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.296 -12.744 -5.805 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.894 -13.776 -4.446 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.983 -13.752 -8.099 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.503 -15.990 -4.807 1.00 0.00 H new ATOM 0 HE1 TYR A 22 6.190 -15.730 -9.540 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.715 -17.968 -6.249 1.00 0.00 H new ATOM 0 HH TYR A 22 7.441 -18.822 -8.265 1.00 0.00 H new ATOM 349 N PHE A 23 5.160 -10.952 -4.007 1.00 0.00 N ATOM 350 CA PHE A 23 4.951 -10.204 -2.771 1.00 0.00 C ATOM 351 C PHE A 23 3.517 -10.358 -2.275 1.00 0.00 C ATOM 352 O PHE A 23 2.566 -10.252 -3.049 1.00 0.00 O ATOM 353 CB PHE A 23 5.274 -8.725 -2.985 1.00 0.00 C ATOM 354 CG PHE A 23 5.304 -7.926 -1.713 1.00 0.00 C ATOM 355 CD1 PHE A 23 6.008 -8.385 -0.610 1.00 0.00 C ATOM 356 CD2 PHE A 23 4.631 -6.719 -1.620 1.00 0.00 C ATOM 357 CE1 PHE A 23 6.039 -7.652 0.561 1.00 0.00 C ATOM 358 CE2 PHE A 23 4.658 -5.983 -0.451 1.00 0.00 C ATOM 359 CZ PHE A 23 5.364 -6.450 0.641 1.00 0.00 C ATOM 0 H PHE A 23 5.492 -10.388 -4.790 1.00 0.00 H new ATOM 0 HA PHE A 23 5.622 -10.609 -2.014 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.241 -8.641 -3.480 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.533 -8.294 -3.658 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.537 -9.325 -0.667 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.079 -6.349 -2.471 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.591 -8.019 1.414 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.128 -5.044 -0.391 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.388 -5.876 1.556 1.00 0.00 H new ATOM 369 N LYS A 24 3.369 -10.609 -0.977 1.00 0.00 N ATOM 370 CA LYS A 24 2.051 -10.778 -0.377 1.00 0.00 C ATOM 371 C LYS A 24 1.385 -9.427 -0.136 1.00 0.00 C ATOM 372 O LYS A 24 0.171 -9.287 -0.283 1.00 0.00 O ATOM 373 CB LYS A 24 2.164 -11.546 0.941 1.00 0.00 C ATOM 374 CG LYS A 24 0.825 -11.793 1.619 1.00 0.00 C ATOM 375 CD LYS A 24 -0.022 -12.783 0.834 1.00 0.00 C ATOM 376 CE LYS A 24 0.365 -14.219 1.149 1.00 0.00 C ATOM 377 NZ LYS A 24 -0.659 -15.188 0.667 1.00 0.00 N ATOM 0 H LYS A 24 4.146 -10.700 -0.322 1.00 0.00 H new ATOM 0 HA LYS A 24 1.433 -11.348 -1.071 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.649 -12.504 0.753 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.809 -10.990 1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.991 -12.173 2.627 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.287 -10.850 1.718 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.075 -12.629 1.069 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.097 -12.599 -0.234 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.326 -14.446 0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.494 -14.333 2.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.358 -16.156 0.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.570 -14.988 1.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.764 -15.098 -0.364 1.00 0.00 H new ATOM 391 N GLY A 25 2.188 -8.435 0.235 1.00 0.00 N ATOM 392 CA GLY A 25 1.659 -7.108 0.490 1.00 0.00 C ATOM 393 C GLY A 25 1.740 -6.722 1.954 1.00 0.00 C ATOM 394 O GLY A 25 1.775 -7.587 2.829 1.00 0.00 O ATOM 0 H GLY A 25 3.196 -8.527 0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.210 -6.380 -0.105 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.620 -7.066 0.163 1.00 0.00 H new ATOM 398 N ILE A 26 1.771 -5.420 2.221 1.00 0.00 N ATOM 399 CA ILE A 26 1.848 -4.922 3.588 1.00 0.00 C ATOM 400 C ILE A 26 0.730 -3.924 3.873 1.00 0.00 C ATOM 401 O ILE A 26 0.410 -3.080 3.035 1.00 0.00 O ATOM 402 CB ILE A 26 3.210 -4.253 3.866 1.00 0.00 C ATOM 403 CG1 ILE A 26 3.310 -3.832 5.334 1.00 0.00 C ATOM 404 CG2 ILE A 26 3.413 -3.055 2.950 1.00 0.00 C ATOM 405 CD1 ILE A 26 4.677 -4.070 5.939 1.00 0.00 C ATOM 0 H ILE A 26 1.744 -4.691 1.508 1.00 0.00 H new ATOM 0 HA ILE A 26 1.736 -5.783 4.247 1.00 0.00 H new ATOM 0 HB ILE A 26 3.998 -4.978 3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.064 -2.773 5.418 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.565 -4.379 5.912 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.379 -2.596 3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.386 -3.383 1.911 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.620 -2.327 3.122 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.675 -3.749 6.981 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.918 -5.132 5.887 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.424 -3.501 5.385 1.00 0.00 H new ATOM 417 N VAL A 27 0.141 -4.025 5.060 1.00 0.00 N ATOM 418 CA VAL A 27 -0.940 -3.131 5.455 1.00 0.00 C ATOM 419 C VAL A 27 -0.456 -2.098 6.467 1.00 0.00 C ATOM 420 O VAL A 27 0.247 -2.432 7.420 1.00 0.00 O ATOM 421 CB VAL A 27 -2.122 -3.912 6.060 1.00 0.00 C ATOM 422 CG1 VAL A 27 -3.316 -2.993 6.274 1.00 0.00 C ATOM 423 CG2 VAL A 27 -2.497 -5.087 5.171 1.00 0.00 C ATOM 0 H VAL A 27 0.395 -4.717 5.765 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.276 -2.621 4.552 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.816 -4.304 7.030 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.141 -3.562 6.702 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.038 -2.188 6.955 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.625 -2.569 5.318 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.334 -5.627 5.615 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.783 -4.721 4.185 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.643 -5.758 5.075 1.00 0.00 H new ATOM 433 N TYR A 28 -0.836 -0.842 6.251 1.00 0.00 N ATOM 434 CA TYR A 28 -0.439 0.240 7.145 1.00 0.00 C ATOM 435 C TYR A 28 -1.659 0.995 7.660 1.00 0.00 C ATOM 436 O TYR A 28 -2.492 1.458 6.879 1.00 0.00 O ATOM 437 CB TYR A 28 0.504 1.203 6.424 1.00 0.00 C ATOM 438 CG TYR A 28 1.952 0.767 6.450 1.00 0.00 C ATOM 439 CD1 TYR A 28 2.708 0.870 7.610 1.00 0.00 C ATOM 440 CD2 TYR A 28 2.563 0.252 5.312 1.00 0.00 C ATOM 441 CE1 TYR A 28 4.031 0.472 7.638 1.00 0.00 C ATOM 442 CE2 TYR A 28 3.886 -0.148 5.332 1.00 0.00 C ATOM 443 CZ TYR A 28 4.615 -0.036 6.497 1.00 0.00 C ATOM 444 OH TYR A 28 5.932 -0.433 6.520 1.00 0.00 O ATOM 0 H TYR A 28 -1.417 -0.549 5.466 1.00 0.00 H new ATOM 0 HA TYR A 28 0.081 -0.198 7.997 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.183 1.305 5.387 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.422 2.189 6.881 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.254 1.268 8.506 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.995 0.163 4.398 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.605 0.558 8.549 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.346 -0.546 4.440 1.00 0.00 H new ATOM 0 HH TYR A 28 6.291 -0.427 5.608 1.00 0.00 H new ATOM 454 N ALA A 29 -1.760 1.117 8.979 1.00 0.00 N ATOM 455 CA ALA A 29 -2.879 1.816 9.599 1.00 0.00 C ATOM 456 C ALA A 29 -2.617 3.317 9.665 1.00 0.00 C ATOM 457 O ALA A 29 -1.854 3.787 10.508 1.00 0.00 O ATOM 458 CB ALA A 29 -3.142 1.262 10.991 1.00 0.00 C ATOM 0 H ALA A 29 -1.080 0.741 9.640 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.764 1.654 8.984 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.980 1.793 11.442 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.381 0.201 10.921 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.254 1.394 11.609 1.00 0.00 H new ATOM 464 N ILE A 30 -3.256 4.064 8.771 1.00 0.00 N ATOM 465 CA ILE A 30 -3.093 5.512 8.728 1.00 0.00 C ATOM 466 C ILE A 30 -3.748 6.175 9.935 1.00 0.00 C ATOM 467 O ILE A 30 -4.937 5.982 10.193 1.00 0.00 O ATOM 468 CB ILE A 30 -3.695 6.108 7.441 1.00 0.00 C ATOM 469 CG1 ILE A 30 -3.200 5.337 6.215 1.00 0.00 C ATOM 470 CG2 ILE A 30 -3.342 7.583 7.323 1.00 0.00 C ATOM 471 CD1 ILE A 30 -1.693 5.313 6.083 1.00 0.00 C ATOM 0 H ILE A 30 -3.892 3.690 8.066 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.021 5.709 8.744 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.780 6.017 7.491 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.568 4.312 6.267 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.628 5.784 5.318 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.775 7.989 6.409 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.739 8.122 8.183 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.258 7.696 7.293 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.415 4.750 5.192 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.319 6.333 5.999 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.258 4.839 6.963 1.00 0.00 H new ATOM 483 N SER A 31 -2.965 6.957 10.672 1.00 0.00 N ATOM 484 CA SER A 31 -3.470 7.649 11.852 1.00 0.00 C ATOM 485 C SER A 31 -2.623 8.881 12.165 1.00 0.00 C ATOM 486 O SER A 31 -1.421 8.901 11.899 1.00 0.00 O ATOM 487 CB SER A 31 -3.484 6.705 13.055 1.00 0.00 C ATOM 488 OG SER A 31 -4.737 6.054 13.179 1.00 0.00 O ATOM 0 H SER A 31 -1.979 7.127 10.473 1.00 0.00 H new ATOM 0 HA SER A 31 -4.489 7.975 11.644 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.694 5.962 12.947 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.271 7.267 13.964 1.00 0.00 H new ATOM 0 HG SER A 31 -5.095 5.861 12.287 1.00 0.00 H new ATOM 494 N PRO A 32 -3.241 9.927 12.738 1.00 0.00 N ATOM 495 CA PRO A 32 -2.538 11.165 13.088 1.00 0.00 C ATOM 496 C PRO A 32 -1.299 10.908 13.938 1.00 0.00 C ATOM 497 O PRO A 32 -0.198 11.338 13.594 1.00 0.00 O ATOM 498 CB PRO A 32 -3.578 11.954 13.886 1.00 0.00 C ATOM 499 CG PRO A 32 -4.892 11.438 13.413 1.00 0.00 C ATOM 500 CD PRO A 32 -4.673 9.986 13.090 1.00 0.00 C ATOM 0 HA PRO A 32 -2.174 11.688 12.204 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.455 11.799 14.958 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.486 13.025 13.706 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.657 11.556 14.180 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.234 11.986 12.535 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.904 9.346 13.941 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.304 9.658 12.264 1.00 0.00 H new ATOM 508 N ASP A 33 -1.485 10.204 15.050 1.00 0.00 N ATOM 509 CA ASP A 33 -0.382 9.889 15.949 1.00 0.00 C ATOM 510 C ASP A 33 0.662 9.025 15.249 1.00 0.00 C ATOM 511 O ASP A 33 1.862 9.285 15.343 1.00 0.00 O ATOM 512 CB ASP A 33 -0.902 9.171 17.197 1.00 0.00 C ATOM 513 CG ASP A 33 -1.196 10.129 18.334 1.00 0.00 C ATOM 514 OD1 ASP A 33 -0.470 11.138 18.464 1.00 0.00 O ATOM 515 OD2 ASP A 33 -2.152 9.871 19.095 1.00 0.00 O ATOM 0 H ASP A 33 -2.390 9.841 15.350 1.00 0.00 H new ATOM 0 HA ASP A 33 0.089 10.826 16.247 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.809 8.621 16.945 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.165 8.438 17.525 1.00 0.00 H new ATOM 520 N ARG A 34 0.197 7.996 14.547 1.00 0.00 N ATOM 521 CA ARG A 34 1.091 7.095 13.831 1.00 0.00 C ATOM 522 C ARG A 34 1.862 7.842 12.746 1.00 0.00 C ATOM 523 O ARG A 34 3.088 7.942 12.799 1.00 0.00 O ATOM 524 CB ARG A 34 0.298 5.943 13.210 1.00 0.00 C ATOM 525 CG ARG A 34 0.345 4.663 14.026 1.00 0.00 C ATOM 526 CD ARG A 34 0.129 3.437 13.152 1.00 0.00 C ATOM 527 NE ARG A 34 -0.074 2.228 13.946 1.00 0.00 N ATOM 528 CZ ARG A 34 -1.203 1.946 14.592 1.00 0.00 C ATOM 529 NH1 ARG A 34 -2.232 2.783 14.541 1.00 0.00 N ATOM 530 NH2 ARG A 34 -1.304 0.824 15.292 1.00 0.00 N ATOM 0 H ARG A 34 -0.793 7.766 14.459 1.00 0.00 H new ATOM 0 HA ARG A 34 1.807 6.689 14.546 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.741 6.251 13.092 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.687 5.742 12.212 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.308 4.587 14.530 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.419 4.697 14.802 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.736 3.598 12.509 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.991 3.301 12.499 1.00 0.00 H new ATOM 0 HE ARG A 34 0.695 1.561 14.009 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.160 3.648 14.005 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.095 2.562 15.038 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.516 0.177 15.335 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.169 0.608 15.787 1.00 0.00 H new ATOM 544 N PHE A 35 1.134 8.365 11.764 1.00 0.00 N ATOM 545 CA PHE A 35 1.749 9.104 10.668 1.00 0.00 C ATOM 546 C PHE A 35 1.335 10.572 10.701 1.00 0.00 C ATOM 547 O PHE A 35 0.147 10.892 10.658 1.00 0.00 O ATOM 548 CB PHE A 35 1.360 8.484 9.324 1.00 0.00 C ATOM 549 CG PHE A 35 1.719 7.030 9.207 1.00 0.00 C ATOM 550 CD1 PHE A 35 3.031 6.643 8.987 1.00 0.00 C ATOM 551 CD2 PHE A 35 0.745 6.050 9.317 1.00 0.00 C ATOM 552 CE1 PHE A 35 3.366 5.307 8.878 1.00 0.00 C ATOM 553 CE2 PHE A 35 1.072 4.713 9.209 1.00 0.00 C ATOM 554 CZ PHE A 35 2.385 4.340 8.990 1.00 0.00 C ATOM 0 H PHE A 35 0.118 8.291 11.705 1.00 0.00 H new ATOM 0 HA PHE A 35 2.831 9.047 10.788 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.286 8.597 9.178 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.851 9.037 8.523 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.801 7.395 8.900 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.282 6.336 9.489 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.392 5.019 8.706 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.303 3.960 9.295 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.644 3.295 8.907 1.00 0.00 H new ATOM 564 N ARG A 36 2.321 11.460 10.779 1.00 0.00 N ATOM 565 CA ARG A 36 2.058 12.892 10.817 1.00 0.00 C ATOM 566 C ARG A 36 1.878 13.451 9.409 1.00 0.00 C ATOM 567 O ARG A 36 0.987 14.265 9.163 1.00 0.00 O ATOM 568 CB ARG A 36 3.200 13.624 11.526 1.00 0.00 C ATOM 569 CG ARG A 36 3.056 13.655 13.038 1.00 0.00 C ATOM 570 CD ARG A 36 3.267 12.277 13.645 1.00 0.00 C ATOM 571 NE ARG A 36 3.636 12.352 15.057 1.00 0.00 N ATOM 572 CZ ARG A 36 2.788 12.675 16.030 1.00 0.00 C ATOM 573 NH1 ARG A 36 1.520 12.956 15.749 1.00 0.00 N ATOM 574 NH2 ARG A 36 3.206 12.720 17.288 1.00 0.00 N ATOM 0 H ARG A 36 3.310 11.212 10.817 1.00 0.00 H new ATOM 0 HA ARG A 36 1.134 13.050 11.372 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.144 13.143 11.269 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.252 14.647 11.153 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.778 14.354 13.459 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.065 14.023 13.303 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.354 11.691 13.539 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.048 11.753 13.093 1.00 0.00 H new ATOM 0 HE ARG A 36 4.602 12.144 15.312 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.193 12.925 14.783 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.874 13.203 16.499 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.178 12.507 17.510 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.555 12.968 18.033 1.00 0.00 H new ATOM 588 N SER A 37 2.729 13.008 8.490 1.00 0.00 N ATOM 589 CA SER A 37 2.663 13.463 7.105 1.00 0.00 C ATOM 590 C SER A 37 3.101 12.360 6.149 1.00 0.00 C ATOM 591 O SER A 37 3.413 11.246 6.570 1.00 0.00 O ATOM 592 CB SER A 37 3.540 14.701 6.912 1.00 0.00 C ATOM 593 OG SER A 37 3.597 15.477 8.097 1.00 0.00 O ATOM 0 H SER A 37 3.472 12.335 8.678 1.00 0.00 H new ATOM 0 HA SER A 37 1.628 13.721 6.882 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.546 14.396 6.625 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.145 15.306 6.096 1.00 0.00 H new ATOM 0 HG SER A 37 4.165 16.261 7.947 1.00 0.00 H new ATOM 599 N PHE A 38 3.122 12.677 4.858 1.00 0.00 N ATOM 600 CA PHE A 38 3.522 11.713 3.840 1.00 0.00 C ATOM 601 C PHE A 38 4.981 11.302 4.022 1.00 0.00 C ATOM 602 O PHE A 38 5.355 10.163 3.743 1.00 0.00 O ATOM 603 CB PHE A 38 3.317 12.300 2.443 1.00 0.00 C ATOM 604 CG PHE A 38 2.860 11.290 1.429 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.624 10.674 1.554 1.00 0.00 C ATOM 606 CD2 PHE A 38 3.664 10.957 0.352 1.00 0.00 C ATOM 607 CE1 PHE A 38 1.201 9.745 0.623 1.00 0.00 C ATOM 608 CE2 PHE A 38 3.246 10.029 -0.583 1.00 0.00 C ATOM 609 CZ PHE A 38 2.012 9.422 -0.446 1.00 0.00 C ATOM 0 H PHE A 38 2.867 13.594 4.493 1.00 0.00 H new ATOM 0 HA PHE A 38 2.897 10.827 3.950 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.583 13.104 2.500 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.252 12.746 2.104 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.985 10.923 2.388 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.629 11.428 0.241 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.236 9.272 0.732 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.882 9.779 -1.419 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.683 8.696 -1.174 1.00 0.00 H new ATOM 619 N GLU A 39 5.799 12.238 4.491 1.00 0.00 N ATOM 620 CA GLU A 39 7.217 11.974 4.709 1.00 0.00 C ATOM 621 C GLU A 39 7.412 10.873 5.746 1.00 0.00 C ATOM 622 O GLU A 39 8.332 10.061 5.638 1.00 0.00 O ATOM 623 CB GLU A 39 7.930 13.248 5.162 1.00 0.00 C ATOM 624 CG GLU A 39 7.627 14.458 4.291 1.00 0.00 C ATOM 625 CD GLU A 39 8.872 15.062 3.673 1.00 0.00 C ATOM 626 OE1 GLU A 39 9.962 14.908 4.263 1.00 0.00 O ATOM 627 OE2 GLU A 39 8.757 15.689 2.600 1.00 0.00 O ATOM 0 H GLU A 39 5.505 13.186 4.727 1.00 0.00 H new ATOM 0 HA GLU A 39 7.648 11.640 3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.642 13.469 6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.006 13.072 5.163 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.938 14.166 3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.121 15.214 4.891 1.00 0.00 H new ATOM 634 N ALA A 40 6.543 10.851 6.751 1.00 0.00 N ATOM 635 CA ALA A 40 6.620 9.849 7.807 1.00 0.00 C ATOM 636 C ALA A 40 6.266 8.464 7.278 1.00 0.00 C ATOM 637 O ALA A 40 6.943 7.481 7.578 1.00 0.00 O ATOM 638 CB ALA A 40 5.702 10.227 8.960 1.00 0.00 C ATOM 0 H ALA A 40 5.777 11.516 6.856 1.00 0.00 H new ATOM 0 HA ALA A 40 7.647 9.818 8.170 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.769 9.470 9.742 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.004 11.193 9.364 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.674 10.288 8.602 1.00 0.00 H new ATOM 644 N LEU A 41 5.199 8.394 6.488 1.00 0.00 N ATOM 645 CA LEU A 41 4.754 7.128 5.916 1.00 0.00 C ATOM 646 C LEU A 41 5.770 6.597 4.910 1.00 0.00 C ATOM 647 O LEU A 41 6.032 5.396 4.850 1.00 0.00 O ATOM 648 CB LEU A 41 3.392 7.300 5.240 1.00 0.00 C ATOM 649 CG LEU A 41 2.756 6.008 4.727 1.00 0.00 C ATOM 650 CD1 LEU A 41 2.086 5.254 5.864 1.00 0.00 C ATOM 651 CD2 LEU A 41 1.755 6.311 3.622 1.00 0.00 C ATOM 0 H LEU A 41 4.627 9.198 6.230 1.00 0.00 H new ATOM 0 HA LEU A 41 4.661 6.405 6.727 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.708 7.767 5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.503 7.989 4.403 1.00 0.00 H new ATOM 0 HG LEU A 41 3.543 5.376 4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.639 4.337 5.479 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.828 5.005 6.623 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.310 5.878 6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.311 5.381 3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.971 6.962 4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.264 6.808 2.796 1.00 0.00 H new ATOM 663 N LEU A 42 6.340 7.502 4.120 1.00 0.00 N ATOM 664 CA LEU A 42 7.328 7.126 3.115 1.00 0.00 C ATOM 665 C LEU A 42 8.593 6.584 3.773 1.00 0.00 C ATOM 666 O LEU A 42 9.188 5.618 3.294 1.00 0.00 O ATOM 667 CB LEU A 42 7.673 8.327 2.234 1.00 0.00 C ATOM 668 CG LEU A 42 6.552 8.790 1.301 1.00 0.00 C ATOM 669 CD1 LEU A 42 6.866 10.164 0.730 1.00 0.00 C ATOM 670 CD2 LEU A 42 6.341 7.781 0.183 1.00 0.00 C ATOM 0 H LEU A 42 6.135 8.500 4.157 1.00 0.00 H new ATOM 0 HA LEU A 42 6.897 6.341 2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.957 9.160 2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.546 8.077 1.632 1.00 0.00 H new ATOM 0 HG LEU A 42 5.630 8.862 1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.058 10.477 0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.967 10.882 1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.798 10.120 0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.540 8.125 -0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.261 7.678 -0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.070 6.816 0.610 1.00 0.00 H new ATOM 682 N ALA A 43 8.998 7.211 4.872 1.00 0.00 N ATOM 683 CA ALA A 43 10.193 6.793 5.595 1.00 0.00 C ATOM 684 C ALA A 43 10.035 5.378 6.144 1.00 0.00 C ATOM 685 O ALA A 43 11.010 4.637 6.268 1.00 0.00 O ATOM 686 CB ALA A 43 10.496 7.768 6.722 1.00 0.00 C ATOM 0 H ALA A 43 8.516 8.011 5.282 1.00 0.00 H new ATOM 0 HA ALA A 43 11.029 6.792 4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.391 7.443 7.253 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.661 8.763 6.308 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.654 7.798 7.414 1.00 0.00 H new ATOM 692 N ASP A 44 8.801 5.011 6.473 1.00 0.00 N ATOM 693 CA ASP A 44 8.516 3.685 7.009 1.00 0.00 C ATOM 694 C ASP A 44 8.407 2.656 5.889 1.00 0.00 C ATOM 695 O ASP A 44 8.784 1.497 6.059 1.00 0.00 O ATOM 696 CB ASP A 44 7.220 3.710 7.824 1.00 0.00 C ATOM 697 CG ASP A 44 7.269 2.772 9.014 1.00 0.00 C ATOM 698 OD1 ASP A 44 8.094 3.007 9.921 1.00 0.00 O ATOM 699 OD2 ASP A 44 6.480 1.804 9.040 1.00 0.00 O ATOM 0 H ASP A 44 7.983 5.613 6.378 1.00 0.00 H new ATOM 0 HA ASP A 44 9.342 3.398 7.660 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.032 4.726 8.173 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.384 3.434 7.181 1.00 0.00 H new ATOM 704 N LEU A 45 7.888 3.088 4.745 1.00 0.00 N ATOM 705 CA LEU A 45 7.728 2.202 3.596 1.00 0.00 C ATOM 706 C LEU A 45 9.085 1.781 3.040 1.00 0.00 C ATOM 707 O LEU A 45 9.305 0.609 2.734 1.00 0.00 O ATOM 708 CB LEU A 45 6.909 2.893 2.503 1.00 0.00 C ATOM 709 CG LEU A 45 5.412 3.009 2.792 1.00 0.00 C ATOM 710 CD1 LEU A 45 4.754 3.970 1.815 1.00 0.00 C ATOM 711 CD2 LEU A 45 4.750 1.641 2.725 1.00 0.00 C ATOM 0 H LEU A 45 7.571 4.045 4.588 1.00 0.00 H new ATOM 0 HA LEU A 45 7.199 1.309 3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.312 3.894 2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.042 2.346 1.570 1.00 0.00 H new ATOM 0 HG LEU A 45 5.284 3.404 3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.689 4.040 2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.210 4.955 1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.891 3.604 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.685 1.742 2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.887 1.219 1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.203 0.981 3.464 1.00 0.00 H new ATOM 723 N THR A 46 9.991 2.745 2.912 1.00 0.00 N ATOM 724 CA THR A 46 11.326 2.474 2.391 1.00 0.00 C ATOM 725 C THR A 46 12.076 1.496 3.292 1.00 0.00 C ATOM 726 O THR A 46 12.917 0.728 2.826 1.00 0.00 O ATOM 727 CB THR A 46 12.120 3.775 2.262 1.00 0.00 C ATOM 728 OG1 THR A 46 11.320 4.796 1.692 1.00 0.00 O ATOM 729 CG2 THR A 46 13.363 3.637 1.409 1.00 0.00 C ATOM 0 H THR A 46 9.825 3.720 3.162 1.00 0.00 H new ATOM 0 HA THR A 46 11.217 2.022 1.405 1.00 0.00 H new ATOM 0 HB THR A 46 12.423 4.030 3.278 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.698 5.139 2.367 1.00 0.00 H new ATOM 0 HG21 THR A 46 13.879 4.596 1.359 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.025 2.891 1.849 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.081 3.324 0.404 1.00 0.00 H new ATOM 737 N ARG A 47 11.767 1.531 4.584 1.00 0.00 N ATOM 738 CA ARG A 47 12.412 0.649 5.548 1.00 0.00 C ATOM 739 C ARG A 47 11.892 -0.780 5.416 1.00 0.00 C ATOM 740 O ARG A 47 12.609 -1.740 5.694 1.00 0.00 O ATOM 741 CB ARG A 47 12.182 1.161 6.973 1.00 0.00 C ATOM 742 CG ARG A 47 13.445 1.195 7.818 1.00 0.00 C ATOM 743 CD ARG A 47 13.187 0.692 9.230 1.00 0.00 C ATOM 744 NE ARG A 47 13.159 -0.767 9.294 1.00 0.00 N ATOM 745 CZ ARG A 47 12.646 -1.454 10.312 1.00 0.00 C ATOM 746 NH1 ARG A 47 12.118 -0.820 11.351 1.00 0.00 N ATOM 747 NH2 ARG A 47 12.662 -2.780 10.291 1.00 0.00 N ATOM 0 H ARG A 47 11.074 2.161 4.987 1.00 0.00 H new ATOM 0 HA ARG A 47 13.482 0.645 5.339 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.759 2.165 6.926 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.444 0.527 7.463 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.215 0.583 7.348 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.829 2.214 7.859 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.962 1.069 9.897 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.237 1.089 9.589 1.00 0.00 H new ATOM 0 HE ARG A 47 13.556 -1.290 8.513 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.104 0.200 11.373 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.726 -1.352 12.128 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.067 -3.273 9.495 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.269 -3.307 11.071 1.00 0.00 H new ATOM 761 N THR A 48 10.639 -0.911 4.993 1.00 0.00 N ATOM 762 CA THR A 48 10.023 -2.224 4.826 1.00 0.00 C ATOM 763 C THR A 48 10.095 -2.679 3.371 1.00 0.00 C ATOM 764 O THR A 48 10.868 -3.573 3.028 1.00 0.00 O ATOM 765 CB THR A 48 8.566 -2.189 5.292 1.00 0.00 C ATOM 766 OG1 THR A 48 8.044 -0.875 5.207 1.00 0.00 O ATOM 767 CG2 THR A 48 8.383 -2.666 6.716 1.00 0.00 C ATOM 0 H THR A 48 10.031 -0.126 4.760 1.00 0.00 H new ATOM 0 HA THR A 48 10.575 -2.938 5.437 1.00 0.00 H new ATOM 0 HB THR A 48 8.033 -2.869 4.627 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.474 -0.308 5.881 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.328 -2.616 6.984 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.731 -3.695 6.802 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.959 -2.031 7.389 1.00 0.00 H new ATOM 775 N LEU A 49 9.282 -2.060 2.522 1.00 0.00 N ATOM 776 CA LEU A 49 9.250 -2.403 1.104 1.00 0.00 C ATOM 777 C LEU A 49 10.627 -2.230 0.469 1.00 0.00 C ATOM 778 O LEU A 49 11.279 -3.207 0.101 1.00 0.00 O ATOM 779 CB LEU A 49 8.225 -1.536 0.371 1.00 0.00 C ATOM 780 CG LEU A 49 6.766 -1.815 0.733 1.00 0.00 C ATOM 781 CD1 LEU A 49 5.839 -0.893 -0.045 1.00 0.00 C ATOM 782 CD2 LEU A 49 6.419 -3.271 0.465 1.00 0.00 C ATOM 0 H LEU A 49 8.636 -1.318 2.791 1.00 0.00 H new ATOM 0 HA LEU A 49 8.959 -3.450 1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.442 -0.488 0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.351 -1.679 -0.702 1.00 0.00 H new ATOM 0 HG LEU A 49 6.632 -1.620 1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.804 -1.105 0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.071 0.144 0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.976 -1.057 -1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.377 -3.451 0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.570 -3.492 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.062 -3.915 1.066 1.00 0.00 H new ATOM 794 N SER A 50 11.062 -0.980 0.342 1.00 0.00 N ATOM 795 CA SER A 50 12.360 -0.680 -0.250 1.00 0.00 C ATOM 796 C SER A 50 13.485 -1.349 0.535 1.00 0.00 C ATOM 797 O SER A 50 13.405 -1.489 1.755 1.00 0.00 O ATOM 798 CB SER A 50 12.585 0.833 -0.297 1.00 0.00 C ATOM 799 OG SER A 50 13.425 1.190 -1.380 1.00 0.00 O ATOM 0 H SER A 50 10.535 -0.160 0.641 1.00 0.00 H new ATOM 0 HA SER A 50 12.367 -1.074 -1.266 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.627 1.344 -0.392 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.032 1.167 0.639 1.00 0.00 H new ATOM 0 HG SER A 50 14.118 0.507 -1.495 1.00 0.00 H new ATOM 805 N ASP A 51 14.531 -1.760 -0.174 1.00 0.00 N ATOM 806 CA ASP A 51 15.672 -2.414 0.456 1.00 0.00 C ATOM 807 C ASP A 51 16.976 -2.012 -0.226 1.00 0.00 C ATOM 808 O ASP A 51 17.787 -1.282 0.343 1.00 0.00 O ATOM 809 CB ASP A 51 15.504 -3.934 0.410 1.00 0.00 C ATOM 810 CG ASP A 51 15.835 -4.592 1.736 1.00 0.00 C ATOM 811 OD1 ASP A 51 17.025 -4.888 1.971 1.00 0.00 O ATOM 812 OD2 ASP A 51 14.904 -4.812 2.539 1.00 0.00 O ATOM 0 H ASP A 51 14.612 -1.652 -1.185 1.00 0.00 H new ATOM 0 HA ASP A 51 15.715 -2.092 1.496 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.478 -4.175 0.134 1.00 0.00 H new ATOM 0 HB3 ASP A 51 16.148 -4.345 -0.367 1.00 0.00 H new ATOM 817 N ASN A 52 17.171 -2.493 -1.449 1.00 0.00 N ATOM 818 CA ASN A 52 18.376 -2.184 -2.209 1.00 0.00 C ATOM 819 C ASN A 52 18.289 -2.748 -3.624 1.00 0.00 C ATOM 820 O ASN A 52 18.631 -2.072 -4.594 1.00 0.00 O ATOM 821 CB ASN A 52 19.610 -2.747 -1.500 1.00 0.00 C ATOM 822 CG ASN A 52 20.884 -2.029 -1.899 1.00 0.00 C ATOM 823 OD1 ASN A 52 21.317 -1.090 -1.230 1.00 0.00 O ATOM 824 ND2 ASN A 52 21.491 -2.467 -2.995 1.00 0.00 N ATOM 0 H ASN A 52 16.510 -3.099 -1.935 1.00 0.00 H new ATOM 0 HA ASN A 52 18.464 -1.100 -2.274 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.474 -2.667 -0.421 1.00 0.00 H new ATOM 0 HB3 ASN A 52 19.706 -3.808 -1.732 1.00 0.00 H new ATOM 0 HD21 ASN A 52 22.352 -2.022 -3.314 1.00 0.00 H new ATOM 0 HD22 ASN A 52 21.097 -3.248 -3.519 1.00 0.00 H new ATOM 831 N VAL A 53 17.828 -3.990 -3.733 1.00 0.00 N ATOM 832 CA VAL A 53 17.696 -4.644 -5.029 1.00 0.00 C ATOM 833 C VAL A 53 16.590 -4.002 -5.858 1.00 0.00 C ATOM 834 O VAL A 53 16.844 -3.441 -6.924 1.00 0.00 O ATOM 835 CB VAL A 53 17.398 -6.149 -4.873 1.00 0.00 C ATOM 836 CG1 VAL A 53 17.418 -6.842 -6.227 1.00 0.00 C ATOM 837 CG2 VAL A 53 18.393 -6.796 -3.920 1.00 0.00 C ATOM 0 H VAL A 53 17.540 -4.563 -2.940 1.00 0.00 H new ATOM 0 HA VAL A 53 18.650 -4.522 -5.543 1.00 0.00 H new ATOM 0 HB VAL A 53 16.400 -6.260 -4.449 1.00 0.00 H new ATOM 0 HG11 VAL A 53 17.206 -7.903 -6.096 1.00 0.00 H new ATOM 0 HG12 VAL A 53 16.662 -6.398 -6.874 1.00 0.00 H new ATOM 0 HG13 VAL A 53 18.401 -6.722 -6.682 1.00 0.00 H new ATOM 0 HG21 VAL A 53 18.166 -7.858 -3.823 1.00 0.00 H new ATOM 0 HG22 VAL A 53 19.403 -6.675 -4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 53 18.323 -6.319 -2.942 1.00 0.00 H new ATOM 847 N ASN A 54 15.359 -4.088 -5.362 1.00 0.00 N ATOM 848 CA ASN A 54 14.213 -3.515 -6.057 1.00 0.00 C ATOM 849 C ASN A 54 14.322 -1.994 -6.128 1.00 0.00 C ATOM 850 O ASN A 54 14.572 -1.430 -7.193 1.00 0.00 O ATOM 851 CB ASN A 54 12.913 -3.916 -5.354 1.00 0.00 C ATOM 852 CG ASN A 54 11.904 -4.527 -6.308 1.00 0.00 C ATOM 853 OD1 ASN A 54 11.161 -3.814 -6.983 1.00 0.00 O ATOM 854 ND2 ASN A 54 11.874 -5.852 -6.368 1.00 0.00 N ATOM 0 H ASN A 54 15.131 -4.549 -4.481 1.00 0.00 H new ATOM 0 HA ASN A 54 14.203 -3.906 -7.075 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.137 -4.629 -4.561 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.475 -3.038 -4.879 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.216 -6.319 -6.992 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.509 -6.403 -5.790 1.00 0.00 H new ATOM 861 N LEU A 55 14.134 -1.339 -4.988 1.00 0.00 N ATOM 862 CA LEU A 55 14.211 0.117 -4.920 1.00 0.00 C ATOM 863 C LEU A 55 15.425 0.560 -4.105 1.00 0.00 C ATOM 864 O LEU A 55 15.344 0.702 -2.886 1.00 0.00 O ATOM 865 CB LEU A 55 12.933 0.687 -4.303 1.00 0.00 C ATOM 866 CG LEU A 55 11.658 0.436 -5.108 1.00 0.00 C ATOM 867 CD1 LEU A 55 10.439 0.461 -4.199 1.00 0.00 C ATOM 868 CD2 LEU A 55 11.518 1.467 -6.218 1.00 0.00 C ATOM 0 H LEU A 55 13.927 -1.792 -4.098 1.00 0.00 H new ATOM 0 HA LEU A 55 14.318 0.499 -5.935 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.806 0.260 -3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.058 1.762 -4.175 1.00 0.00 H new ATOM 0 HG LEU A 55 11.726 -0.552 -5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.541 0.280 -4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.536 -0.315 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.366 1.435 -3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.605 1.274 -6.781 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.472 2.466 -5.783 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.377 1.402 -6.886 1.00 0.00 H new ATOM 880 N PRO A 56 16.571 0.788 -4.773 1.00 0.00 N ATOM 881 CA PRO A 56 17.801 1.218 -4.100 1.00 0.00 C ATOM 882 C PRO A 56 17.702 2.644 -3.568 1.00 0.00 C ATOM 883 O PRO A 56 18.282 2.972 -2.533 1.00 0.00 O ATOM 884 CB PRO A 56 18.859 1.131 -5.203 1.00 0.00 C ATOM 885 CG PRO A 56 18.096 1.282 -6.473 1.00 0.00 C ATOM 886 CD PRO A 56 16.756 0.645 -6.229 1.00 0.00 C ATOM 0 HA PRO A 56 18.024 0.604 -3.228 1.00 0.00 H new ATOM 0 HB2 PRO A 56 19.608 1.915 -5.096 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.388 0.179 -5.170 1.00 0.00 H new ATOM 0 HG2 PRO A 56 17.986 2.333 -6.739 1.00 0.00 H new ATOM 0 HG3 PRO A 56 18.614 0.796 -7.300 1.00 0.00 H new ATOM 0 HD2 PRO A 56 15.965 1.147 -6.786 1.00 0.00 H new ATOM 0 HD3 PRO A 56 16.747 -0.401 -6.535 1.00 0.00 H new ATOM 894 N GLN A 57 16.964 3.487 -4.282 1.00 0.00 N ATOM 895 CA GLN A 57 16.789 4.879 -3.881 1.00 0.00 C ATOM 896 C GLN A 57 15.753 4.998 -2.768 1.00 0.00 C ATOM 897 O GLN A 57 15.990 5.653 -1.753 1.00 0.00 O ATOM 898 CB GLN A 57 16.365 5.728 -5.080 1.00 0.00 C ATOM 899 CG GLN A 57 17.534 6.317 -5.852 1.00 0.00 C ATOM 900 CD GLN A 57 17.261 6.415 -7.340 1.00 0.00 C ATOM 901 OE1 GLN A 57 17.164 7.510 -7.894 1.00 0.00 O ATOM 902 NE2 GLN A 57 17.132 5.268 -7.996 1.00 0.00 N ATOM 0 H GLN A 57 16.477 3.231 -5.141 1.00 0.00 H new ATOM 0 HA GLN A 57 17.744 5.245 -3.505 1.00 0.00 H new ATOM 0 HB2 GLN A 57 15.766 5.116 -5.755 1.00 0.00 H new ATOM 0 HB3 GLN A 57 15.725 6.539 -4.732 1.00 0.00 H new ATOM 0 HG2 GLN A 57 17.759 7.310 -5.462 1.00 0.00 H new ATOM 0 HG3 GLN A 57 18.419 5.702 -5.689 1.00 0.00 H new ATOM 0 HE21 GLN A 57 17.220 4.383 -7.497 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.945 5.272 -8.999 1.00 0.00 H new ATOM 911 N GLY A 58 14.604 4.360 -2.966 1.00 0.00 N ATOM 912 CA GLY A 58 13.548 4.406 -1.971 1.00 0.00 C ATOM 913 C GLY A 58 12.219 4.841 -2.557 1.00 0.00 C ATOM 914 O GLY A 58 12.172 5.435 -3.634 1.00 0.00 O ATOM 0 H GLY A 58 14.385 3.812 -3.798 1.00 0.00 H new ATOM 0 HA2 GLY A 58 13.437 3.421 -1.518 1.00 0.00 H new ATOM 0 HA3 GLY A 58 13.833 5.093 -1.174 1.00 0.00 H new ATOM 918 N VAL A 59 11.136 4.544 -1.847 1.00 0.00 N ATOM 919 CA VAL A 59 9.800 4.907 -2.303 1.00 0.00 C ATOM 920 C VAL A 59 9.671 6.418 -2.472 1.00 0.00 C ATOM 921 O VAL A 59 10.269 7.190 -1.722 1.00 0.00 O ATOM 922 CB VAL A 59 8.718 4.411 -1.322 1.00 0.00 C ATOM 923 CG1 VAL A 59 8.907 5.039 0.051 1.00 0.00 C ATOM 924 CG2 VAL A 59 7.327 4.705 -1.867 1.00 0.00 C ATOM 0 H VAL A 59 11.158 4.053 -0.953 1.00 0.00 H new ATOM 0 HA VAL A 59 9.650 4.424 -3.268 1.00 0.00 H new ATOM 0 HB VAL A 59 8.820 3.331 -1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.133 4.675 0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.888 4.769 0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.836 6.124 -0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.577 4.348 -1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.211 5.780 -2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.196 4.198 -2.823 1.00 0.00 H new ATOM 934 N ARG A 60 8.887 6.833 -3.462 1.00 0.00 N ATOM 935 CA ARG A 60 8.680 8.252 -3.730 1.00 0.00 C ATOM 936 C ARG A 60 7.269 8.505 -4.252 1.00 0.00 C ATOM 937 O ARG A 60 6.552 9.365 -3.741 1.00 0.00 O ATOM 938 CB ARG A 60 9.713 8.757 -4.741 1.00 0.00 C ATOM 939 CG ARG A 60 10.694 9.760 -4.156 1.00 0.00 C ATOM 940 CD ARG A 60 10.104 11.160 -4.115 1.00 0.00 C ATOM 941 NE ARG A 60 11.077 12.178 -4.505 1.00 0.00 N ATOM 942 CZ ARG A 60 10.920 13.480 -4.278 1.00 0.00 C ATOM 943 NH1 ARG A 60 9.832 13.927 -3.663 1.00 0.00 N ATOM 944 NH2 ARG A 60 11.855 14.337 -4.665 1.00 0.00 N ATOM 0 H ARG A 60 8.385 6.207 -4.092 1.00 0.00 H new ATOM 0 HA ARG A 60 8.804 8.797 -2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.268 7.907 -5.137 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.193 9.217 -5.581 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.973 9.452 -3.148 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.607 9.767 -4.751 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.242 11.209 -4.780 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.742 11.371 -3.109 1.00 0.00 H new ATOM 0 HE ARG A 60 11.927 11.873 -4.979 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.111 13.272 -3.362 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.717 14.926 -3.492 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.694 13.998 -5.136 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.735 15.335 -4.491 1.00 0.00 H new ATOM 958 N THR A 61 6.877 7.750 -5.273 1.00 0.00 N ATOM 959 CA THR A 61 5.552 7.892 -5.865 1.00 0.00 C ATOM 960 C THR A 61 4.810 6.559 -5.865 1.00 0.00 C ATOM 961 O THR A 61 5.294 5.569 -6.413 1.00 0.00 O ATOM 962 CB THR A 61 5.663 8.427 -7.294 1.00 0.00 C ATOM 963 OG1 THR A 61 6.708 9.377 -7.393 1.00 0.00 O ATOM 964 CG2 THR A 61 4.394 9.087 -7.786 1.00 0.00 C ATOM 0 H THR A 61 7.458 7.033 -5.708 1.00 0.00 H new ATOM 0 HA THR A 61 4.987 8.602 -5.262 1.00 0.00 H new ATOM 0 HB THR A 61 5.863 7.554 -7.915 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.765 9.706 -8.314 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.541 9.444 -8.805 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.578 8.365 -7.769 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.147 9.929 -7.139 1.00 0.00 H new ATOM 972 N ILE A 62 3.633 6.542 -5.247 1.00 0.00 N ATOM 973 CA ILE A 62 2.826 5.332 -5.176 1.00 0.00 C ATOM 974 C ILE A 62 1.604 5.433 -6.084 1.00 0.00 C ATOM 975 O ILE A 62 0.800 6.357 -5.958 1.00 0.00 O ATOM 976 CB ILE A 62 2.358 5.051 -3.735 1.00 0.00 C ATOM 977 CG1 ILE A 62 3.542 5.125 -2.768 1.00 0.00 C ATOM 978 CG2 ILE A 62 1.684 3.690 -3.651 1.00 0.00 C ATOM 979 CD1 ILE A 62 3.132 5.319 -1.324 1.00 0.00 C ATOM 0 H ILE A 62 3.218 7.353 -4.789 1.00 0.00 H new ATOM 0 HA ILE A 62 3.459 4.510 -5.511 1.00 0.00 H new ATOM 0 HB ILE A 62 1.631 5.812 -3.451 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.127 4.209 -2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.193 5.947 -3.066 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.360 3.507 -2.627 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.819 3.671 -4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.389 2.915 -3.952 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.022 5.362 -0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.573 6.250 -1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.505 4.485 -1.008 1.00 0.00 H new ATOM 991 N TYR A 63 1.472 4.478 -6.998 1.00 0.00 N ATOM 992 CA TYR A 63 0.348 4.460 -7.928 1.00 0.00 C ATOM 993 C TYR A 63 -0.757 3.534 -7.429 1.00 0.00 C ATOM 994 O TYR A 63 -0.609 2.871 -6.403 1.00 0.00 O ATOM 995 CB TYR A 63 0.814 4.015 -9.315 1.00 0.00 C ATOM 996 CG TYR A 63 1.888 4.901 -9.906 1.00 0.00 C ATOM 997 CD1 TYR A 63 1.567 6.127 -10.477 1.00 0.00 C ATOM 998 CD2 TYR A 63 3.221 4.511 -9.893 1.00 0.00 C ATOM 999 CE1 TYR A 63 2.545 6.939 -11.019 1.00 0.00 C ATOM 1000 CE2 TYR A 63 4.205 5.319 -10.432 1.00 0.00 C ATOM 1001 CZ TYR A 63 3.862 6.531 -10.994 1.00 0.00 C ATOM 1002 OH TYR A 63 4.838 7.336 -11.532 1.00 0.00 O ATOM 0 H TYR A 63 2.129 3.706 -7.115 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.053 5.472 -7.994 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.191 2.994 -9.252 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.043 3.998 -9.989 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.537 6.450 -10.497 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.493 3.562 -9.455 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.279 7.888 -11.460 1.00 0.00 H new ATOM 0 HE2 TYR A 63 5.237 5.003 -10.413 1.00 0.00 H new ATOM 0 HH TYR A 63 5.711 6.903 -11.432 1.00 0.00 H new ATOM 1012 N THR A 64 -1.864 3.494 -8.163 1.00 0.00 N ATOM 1013 CA THR A 64 -2.995 2.650 -7.796 1.00 0.00 C ATOM 1014 C THR A 64 -2.789 1.221 -8.287 1.00 0.00 C ATOM 1015 O THR A 64 -1.775 0.908 -8.911 1.00 0.00 O ATOM 1016 CB THR A 64 -4.292 3.218 -8.373 1.00 0.00 C ATOM 1017 OG1 THR A 64 -4.275 3.168 -9.789 1.00 0.00 O ATOM 1018 CG2 THR A 64 -4.549 4.654 -7.968 1.00 0.00 C ATOM 0 H THR A 64 -2.002 4.036 -9.016 1.00 0.00 H new ATOM 0 HA THR A 64 -3.066 2.635 -6.708 1.00 0.00 H new ATOM 0 HB THR A 64 -5.087 2.594 -7.965 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.167 3.382 -10.135 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.485 4.995 -8.411 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.617 4.719 -6.882 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.731 5.283 -8.319 1.00 0.00 H new ATOM 1026 N ILE A 65 -3.758 0.357 -8.000 1.00 0.00 N ATOM 1027 CA ILE A 65 -3.682 -1.039 -8.411 1.00 0.00 C ATOM 1028 C ILE A 65 -3.750 -1.168 -9.931 1.00 0.00 C ATOM 1029 O ILE A 65 -3.136 -2.061 -10.515 1.00 0.00 O ATOM 1030 CB ILE A 65 -4.815 -1.872 -7.778 1.00 0.00 C ATOM 1031 CG1 ILE A 65 -4.646 -3.355 -8.120 1.00 0.00 C ATOM 1032 CG2 ILE A 65 -6.174 -1.365 -8.241 1.00 0.00 C ATOM 1033 CD1 ILE A 65 -4.055 -4.172 -6.991 1.00 0.00 C ATOM 0 H ILE A 65 -4.604 0.600 -7.485 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.724 -1.423 -8.062 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.760 -1.762 -6.695 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.617 -3.771 -8.389 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.006 -3.447 -8.998 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.961 -1.965 -7.784 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.294 -0.323 -7.945 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.241 -1.444 -9.326 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.964 -5.212 -7.304 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.069 -3.782 -6.737 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.705 -4.111 -6.118 1.00 0.00 H new ATOM 1045 N ASP A 66 -4.502 -0.274 -10.564 1.00 0.00 N ATOM 1046 CA ASP A 66 -4.650 -0.291 -12.016 1.00 0.00 C ATOM 1047 C ASP A 66 -3.736 0.738 -12.679 1.00 0.00 C ATOM 1048 O ASP A 66 -3.914 1.073 -13.849 1.00 0.00 O ATOM 1049 CB ASP A 66 -6.104 -0.019 -12.402 1.00 0.00 C ATOM 1050 CG ASP A 66 -7.074 -0.943 -11.691 1.00 0.00 C ATOM 1051 OD1 ASP A 66 -6.839 -2.169 -11.699 1.00 0.00 O ATOM 1052 OD2 ASP A 66 -8.069 -0.440 -11.128 1.00 0.00 O ATOM 0 H ASP A 66 -5.018 0.471 -10.096 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.362 -1.281 -12.370 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.352 1.016 -12.165 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.219 -0.136 -13.480 1.00 0.00 H new ATOM 1057 N GLY A 67 -2.757 1.239 -11.926 1.00 0.00 N ATOM 1058 CA GLY A 67 -1.835 2.223 -12.466 1.00 0.00 C ATOM 1059 C GLY A 67 -2.543 3.402 -13.107 1.00 0.00 C ATOM 1060 O GLY A 67 -1.998 4.052 -13.999 1.00 0.00 O ATOM 0 H GLY A 67 -2.587 0.981 -10.954 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.187 2.584 -11.667 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.193 1.745 -13.205 1.00 0.00 H new ATOM 1064 N LEU A 68 -3.762 3.677 -12.653 1.00 0.00 N ATOM 1065 CA LEU A 68 -4.545 4.784 -13.190 1.00 0.00 C ATOM 1066 C LEU A 68 -4.189 6.093 -12.492 1.00 0.00 C ATOM 1067 O LEU A 68 -3.634 7.004 -13.107 1.00 0.00 O ATOM 1068 CB LEU A 68 -6.041 4.501 -13.035 1.00 0.00 C ATOM 1069 CG LEU A 68 -6.632 3.554 -14.080 1.00 0.00 C ATOM 1070 CD1 LEU A 68 -8.079 3.225 -13.745 1.00 0.00 C ATOM 1071 CD2 LEU A 68 -6.531 4.167 -15.469 1.00 0.00 C ATOM 0 H LEU A 68 -4.228 3.149 -11.915 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.308 4.882 -14.249 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.215 4.079 -12.045 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.581 5.447 -13.078 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.059 2.627 -14.069 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.483 2.550 -14.500 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.126 2.746 -12.767 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.666 4.143 -13.728 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.956 3.481 -16.201 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.080 5.108 -15.492 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.484 4.352 -15.710 1.00 0.00 H new ATOM 1083 N LYS A 69 -4.511 6.179 -11.206 1.00 0.00 N ATOM 1084 CA LYS A 69 -4.225 7.377 -10.425 1.00 0.00 C ATOM 1085 C LYS A 69 -2.940 7.207 -9.619 1.00 0.00 C ATOM 1086 O LYS A 69 -2.465 6.090 -9.418 1.00 0.00 O ATOM 1087 CB LYS A 69 -5.395 7.691 -9.490 1.00 0.00 C ATOM 1088 CG LYS A 69 -6.159 8.949 -9.874 1.00 0.00 C ATOM 1089 CD LYS A 69 -6.673 8.875 -11.304 1.00 0.00 C ATOM 1090 CE LYS A 69 -5.831 9.724 -12.244 1.00 0.00 C ATOM 1091 NZ LYS A 69 -6.483 11.026 -12.552 1.00 0.00 N ATOM 0 H LYS A 69 -4.970 5.434 -10.682 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.089 8.209 -11.115 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.083 6.845 -9.485 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.018 7.801 -8.473 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.997 9.089 -9.192 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.510 9.818 -9.764 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.664 7.839 -11.642 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.709 9.212 -11.337 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.855 9.905 -11.794 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.658 9.177 -13.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.877 11.574 -13.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.403 10.855 -13.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.625 11.560 -11.671 1.00 0.00 H new ATOM 1105 N LYS A 70 -2.385 8.324 -9.160 1.00 0.00 N ATOM 1106 CA LYS A 70 -1.155 8.300 -8.375 1.00 0.00 C ATOM 1107 C LYS A 70 -1.378 8.917 -6.998 1.00 0.00 C ATOM 1108 O LYS A 70 -1.779 10.075 -6.884 1.00 0.00 O ATOM 1109 CB LYS A 70 -0.043 9.051 -9.110 1.00 0.00 C ATOM 1110 CG LYS A 70 -0.424 10.467 -9.505 1.00 0.00 C ATOM 1111 CD LYS A 70 0.592 11.071 -10.461 1.00 0.00 C ATOM 1112 CE LYS A 70 0.830 12.543 -10.164 1.00 0.00 C ATOM 1113 NZ LYS A 70 2.132 13.018 -10.709 1.00 0.00 N ATOM 0 H LYS A 70 -2.767 9.257 -9.318 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.856 7.260 -8.243 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.842 9.086 -8.475 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.230 8.494 -10.006 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.408 10.463 -9.973 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.499 11.087 -8.612 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.533 10.527 -10.385 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.240 10.958 -11.486 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.020 13.135 -10.591 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.808 12.704 -9.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.255 14.026 -10.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.907 12.471 -10.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.144 12.889 -11.741 1.00 0.00 H new ATOM 1127 N ILE A 71 -1.115 8.135 -5.956 1.00 0.00 N ATOM 1128 CA ILE A 71 -1.286 8.605 -4.586 1.00 0.00 C ATOM 1129 C ILE A 71 -0.120 9.489 -4.158 1.00 0.00 C ATOM 1130 O ILE A 71 1.038 9.076 -4.213 1.00 0.00 O ATOM 1131 CB ILE A 71 -1.413 7.427 -3.601 1.00 0.00 C ATOM 1132 CG1 ILE A 71 -2.442 6.417 -4.107 1.00 0.00 C ATOM 1133 CG2 ILE A 71 -1.794 7.933 -2.217 1.00 0.00 C ATOM 1134 CD1 ILE A 71 -3.825 7.002 -4.288 1.00 0.00 C ATOM 0 H ILE A 71 -0.783 7.174 -6.034 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.206 9.189 -4.564 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.447 6.926 -3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.101 6.009 -5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.497 5.585 -3.405 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.880 7.089 -1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.026 8.617 -1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.749 8.455 -2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.503 6.229 -4.649 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.186 7.384 -3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.784 7.816 -5.012 1.00 0.00 H new ATOM 1146 N SER A 72 -0.435 10.708 -3.731 1.00 0.00 N ATOM 1147 CA SER A 72 0.587 11.651 -3.291 1.00 0.00 C ATOM 1148 C SER A 72 0.421 11.984 -1.813 1.00 0.00 C ATOM 1149 O SER A 72 1.401 12.105 -1.078 1.00 0.00 O ATOM 1150 CB SER A 72 0.521 12.932 -4.126 1.00 0.00 C ATOM 1151 OG SER A 72 1.817 13.443 -4.382 1.00 0.00 O ATOM 0 H SER A 72 -1.389 11.066 -3.680 1.00 0.00 H new ATOM 0 HA SER A 72 1.562 11.184 -3.431 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.014 12.729 -5.069 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.071 13.681 -3.601 1.00 0.00 H new ATOM 0 HG SER A 72 1.746 14.260 -4.918 1.00 0.00 H new ATOM 1157 N SER A 73 -0.828 12.132 -1.382 1.00 0.00 N ATOM 1158 CA SER A 73 -1.124 12.451 0.011 1.00 0.00 C ATOM 1159 C SER A 73 -1.776 11.264 0.714 1.00 0.00 C ATOM 1160 O SER A 73 -1.963 10.203 0.118 1.00 0.00 O ATOM 1161 CB SER A 73 -2.041 13.672 0.092 1.00 0.00 C ATOM 1162 OG SER A 73 -1.597 14.702 -0.776 1.00 0.00 O ATOM 0 H SER A 73 -1.651 12.036 -1.977 1.00 0.00 H new ATOM 0 HA SER A 73 -0.184 12.677 0.514 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.059 13.384 -0.171 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.069 14.042 1.117 1.00 0.00 H new ATOM 0 HG SER A 73 -2.201 15.471 -0.707 1.00 0.00 H new ATOM 1168 N LEU A 74 -2.119 11.452 1.983 1.00 0.00 N ATOM 1169 CA LEU A 74 -2.749 10.397 2.769 1.00 0.00 C ATOM 1170 C LEU A 74 -4.261 10.397 2.564 1.00 0.00 C ATOM 1171 O LEU A 74 -4.897 9.343 2.555 1.00 0.00 O ATOM 1172 CB LEU A 74 -2.424 10.572 4.253 1.00 0.00 C ATOM 1173 CG LEU A 74 -0.933 10.628 4.586 1.00 0.00 C ATOM 1174 CD1 LEU A 74 -0.725 11.010 6.043 1.00 0.00 C ATOM 1175 CD2 LEU A 74 -0.270 9.292 4.283 1.00 0.00 C ATOM 0 H LEU A 74 -1.972 12.325 2.490 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.353 9.440 2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.895 11.489 4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.874 9.749 4.808 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.469 11.392 3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.342 11.045 6.261 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.165 11.990 6.229 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.203 10.270 6.685 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.791 9.349 4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.737 8.510 4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.388 9.059 3.225 1.00 0.00 H new ATOM 1187 N ASP A 75 -4.831 11.587 2.402 1.00 0.00 N ATOM 1188 CA ASP A 75 -6.269 11.724 2.199 1.00 0.00 C ATOM 1189 C ASP A 75 -6.712 10.989 0.938 1.00 0.00 C ATOM 1190 O ASP A 75 -7.832 10.481 0.864 1.00 0.00 O ATOM 1191 CB ASP A 75 -6.652 13.202 2.102 1.00 0.00 C ATOM 1192 CG ASP A 75 -6.872 13.833 3.463 1.00 0.00 C ATOM 1193 OD1 ASP A 75 -7.877 13.489 4.122 1.00 0.00 O ATOM 1194 OD2 ASP A 75 -6.039 14.668 3.872 1.00 0.00 O ATOM 0 H ASP A 75 -4.320 12.470 2.407 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.776 11.279 3.055 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.866 13.744 1.576 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.560 13.301 1.508 1.00 0.00 H new ATOM 1199 N GLN A 76 -5.827 10.934 -0.052 1.00 0.00 N ATOM 1200 CA GLN A 76 -6.127 10.261 -1.310 1.00 0.00 C ATOM 1201 C GLN A 76 -6.431 8.785 -1.078 1.00 0.00 C ATOM 1202 O GLN A 76 -7.223 8.182 -1.802 1.00 0.00 O ATOM 1203 CB GLN A 76 -4.955 10.406 -2.282 1.00 0.00 C ATOM 1204 CG GLN A 76 -4.559 11.849 -2.547 1.00 0.00 C ATOM 1205 CD GLN A 76 -3.874 12.029 -3.887 1.00 0.00 C ATOM 1206 OE1 GLN A 76 -3.430 11.061 -4.506 1.00 0.00 O ATOM 1207 NE2 GLN A 76 -3.784 13.272 -4.344 1.00 0.00 N ATOM 0 H GLN A 76 -4.896 11.348 -0.007 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.010 10.731 -1.744 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.094 9.869 -1.883 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.217 9.930 -3.227 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.448 12.478 -2.510 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.894 12.191 -1.754 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.166 14.045 -3.798 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.333 13.454 -5.241 1.00 0.00 H new ATOM 1216 N LEU A 77 -5.795 8.207 -0.063 1.00 0.00 N ATOM 1217 CA LEU A 77 -5.998 6.801 0.264 1.00 0.00 C ATOM 1218 C LEU A 77 -7.380 6.577 0.869 1.00 0.00 C ATOM 1219 O LEU A 77 -8.059 7.526 1.261 1.00 0.00 O ATOM 1220 CB LEU A 77 -4.919 6.322 1.237 1.00 0.00 C ATOM 1221 CG LEU A 77 -3.492 6.354 0.686 1.00 0.00 C ATOM 1222 CD1 LEU A 77 -2.490 6.015 1.780 1.00 0.00 C ATOM 1223 CD2 LEU A 77 -3.351 5.392 -0.484 1.00 0.00 C ATOM 0 H LEU A 77 -5.135 8.691 0.546 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.928 6.225 -0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.960 6.939 2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.152 5.302 1.541 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.283 7.363 0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.480 6.043 1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.574 6.742 2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.697 5.017 2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.330 5.428 -0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.579 4.379 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.043 5.679 -1.276 1.00 0.00 H new ATOM 1235 N VAL A 78 -7.791 5.314 0.942 1.00 0.00 N ATOM 1236 CA VAL A 78 -9.092 4.965 1.499 1.00 0.00 C ATOM 1237 C VAL A 78 -9.000 3.718 2.372 1.00 0.00 C ATOM 1238 O VAL A 78 -8.070 2.922 2.238 1.00 0.00 O ATOM 1239 CB VAL A 78 -10.132 4.725 0.389 1.00 0.00 C ATOM 1240 CG1 VAL A 78 -11.521 4.559 0.985 1.00 0.00 C ATOM 1241 CG2 VAL A 78 -10.109 5.862 -0.621 1.00 0.00 C ATOM 0 H VAL A 78 -7.241 4.516 0.622 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.411 5.810 2.109 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.873 3.803 -0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.242 4.390 0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.526 3.706 1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.792 5.461 1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.851 5.674 -1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.340 6.801 -0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.119 5.927 -1.073 1.00 0.00 H new ATOM 1251 N GLU A 79 -9.969 3.555 3.265 1.00 0.00 N ATOM 1252 CA GLU A 79 -9.997 2.403 4.160 1.00 0.00 C ATOM 1253 C GLU A 79 -10.211 1.112 3.377 1.00 0.00 C ATOM 1254 O GLU A 79 -11.271 0.899 2.789 1.00 0.00 O ATOM 1255 CB GLU A 79 -11.103 2.570 5.204 1.00 0.00 C ATOM 1256 CG GLU A 79 -10.781 1.920 6.540 1.00 0.00 C ATOM 1257 CD GLU A 79 -11.296 0.497 6.636 1.00 0.00 C ATOM 1258 OE1 GLU A 79 -12.332 0.197 6.005 1.00 0.00 O ATOM 1259 OE2 GLU A 79 -10.664 -0.317 7.341 1.00 0.00 O ATOM 0 H GLU A 79 -10.745 4.205 3.389 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.034 2.344 4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.285 3.633 5.361 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.027 2.142 4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.701 1.923 6.690 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.216 2.515 7.343 1.00 0.00 H new ATOM 1266 N GLY A 80 -9.196 0.253 3.375 1.00 0.00 N ATOM 1267 CA GLY A 80 -9.293 -1.006 2.660 1.00 0.00 C ATOM 1268 C GLY A 80 -9.105 -0.840 1.165 1.00 0.00 C ATOM 1269 O GLY A 80 -10.067 -0.920 0.400 1.00 0.00 O ATOM 0 H GLY A 80 -8.309 0.406 3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.542 -1.697 3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.267 -1.456 2.853 1.00 0.00 H new ATOM 1273 N GLU A 81 -7.865 -0.609 0.749 1.00 0.00 N ATOM 1274 CA GLU A 81 -7.554 -0.431 -0.665 1.00 0.00 C ATOM 1275 C GLU A 81 -6.189 -1.023 -1.001 1.00 0.00 C ATOM 1276 O GLU A 81 -5.492 -1.536 -0.125 1.00 0.00 O ATOM 1277 CB GLU A 81 -7.582 1.054 -1.031 1.00 0.00 C ATOM 1278 CG GLU A 81 -8.984 1.602 -1.246 1.00 0.00 C ATOM 1279 CD GLU A 81 -9.701 0.931 -2.401 1.00 0.00 C ATOM 1280 OE1 GLU A 81 -10.191 -0.203 -2.216 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -9.772 1.538 -3.490 1.00 0.00 O ATOM 0 H GLU A 81 -7.059 -0.541 1.370 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.311 -0.957 -1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.096 1.624 -0.239 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.998 1.207 -1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.566 1.468 -0.334 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.926 2.674 -1.433 1.00 0.00 H new ATOM 1288 N SER A 82 -5.815 -0.949 -2.274 1.00 0.00 N ATOM 1289 CA SER A 82 -4.534 -1.479 -2.726 1.00 0.00 C ATOM 1290 C SER A 82 -3.795 -0.456 -3.584 1.00 0.00 C ATOM 1291 O SER A 82 -4.415 0.329 -4.302 1.00 0.00 O ATOM 1292 CB SER A 82 -4.742 -2.771 -3.518 1.00 0.00 C ATOM 1293 OG SER A 82 -5.724 -3.591 -2.907 1.00 0.00 O ATOM 0 H SER A 82 -6.381 -0.527 -3.011 1.00 0.00 H new ATOM 0 HA SER A 82 -3.928 -1.695 -1.846 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.046 -2.532 -4.537 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.800 -3.315 -3.586 1.00 0.00 H new ATOM 0 HG SER A 82 -5.840 -4.410 -3.433 1.00 0.00 H new ATOM 1299 N TYR A 83 -2.469 -0.472 -3.504 1.00 0.00 N ATOM 1300 CA TYR A 83 -1.646 0.454 -4.274 1.00 0.00 C ATOM 1301 C TYR A 83 -0.256 -0.126 -4.517 1.00 0.00 C ATOM 1302 O TYR A 83 0.225 -0.952 -3.742 1.00 0.00 O ATOM 1303 CB TYR A 83 -1.533 1.793 -3.546 1.00 0.00 C ATOM 1304 CG TYR A 83 -2.868 2.405 -3.186 1.00 0.00 C ATOM 1305 CD1 TYR A 83 -3.510 2.071 -1.999 1.00 0.00 C ATOM 1306 CD2 TYR A 83 -3.487 3.316 -4.033 1.00 0.00 C ATOM 1307 CE1 TYR A 83 -4.730 2.628 -1.668 1.00 0.00 C ATOM 1308 CE2 TYR A 83 -4.708 3.877 -3.707 1.00 0.00 C ATOM 1309 CZ TYR A 83 -5.325 3.530 -2.525 1.00 0.00 C ATOM 1310 OH TYR A 83 -6.539 4.086 -2.198 1.00 0.00 O ATOM 0 H TYR A 83 -1.941 -1.115 -2.914 1.00 0.00 H new ATOM 0 HA TYR A 83 -2.127 0.613 -5.239 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -0.950 1.653 -2.635 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -0.981 2.492 -4.174 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -3.048 1.365 -1.325 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -3.007 3.590 -4.961 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.216 2.358 -0.742 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -5.176 4.584 -4.376 1.00 0.00 H new ATOM 0 HH TYR A 83 -6.819 4.701 -2.908 1.00 0.00 H new ATOM 1320 N VAL A 84 0.383 0.314 -5.595 1.00 0.00 N ATOM 1321 CA VAL A 84 1.717 -0.161 -5.939 1.00 0.00 C ATOM 1322 C VAL A 84 2.762 0.928 -5.716 1.00 0.00 C ATOM 1323 O VAL A 84 2.694 1.999 -6.319 1.00 0.00 O ATOM 1324 CB VAL A 84 1.788 -0.631 -7.404 1.00 0.00 C ATOM 1325 CG1 VAL A 84 3.122 -1.304 -7.686 1.00 0.00 C ATOM 1326 CG2 VAL A 84 0.631 -1.567 -7.721 1.00 0.00 C ATOM 0 H VAL A 84 -0.002 0.999 -6.246 1.00 0.00 H new ATOM 0 HA VAL A 84 1.929 -1.006 -5.284 1.00 0.00 H new ATOM 0 HB VAL A 84 1.706 0.242 -8.051 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.153 -1.629 -8.726 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.932 -0.598 -7.502 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.239 -2.168 -7.032 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.698 -1.889 -8.760 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.678 -2.438 -7.068 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.313 -1.045 -7.563 1.00 0.00 H new ATOM 1336 N CYS A 85 3.726 0.647 -4.847 1.00 0.00 N ATOM 1337 CA CYS A 85 4.786 1.603 -4.543 1.00 0.00 C ATOM 1338 C CYS A 85 5.744 1.744 -5.722 1.00 0.00 C ATOM 1339 O CYS A 85 5.993 0.785 -6.451 1.00 0.00 O ATOM 1340 CB CYS A 85 5.554 1.165 -3.296 1.00 0.00 C ATOM 1341 SG CYS A 85 4.719 1.556 -1.739 1.00 0.00 S ATOM 0 H CYS A 85 3.796 -0.235 -4.340 1.00 0.00 H new ATOM 0 HA CYS A 85 4.325 2.572 -4.354 1.00 0.00 H new ATOM 0 HB2 CYS A 85 5.723 0.089 -3.345 1.00 0.00 H new ATOM 0 HB3 CYS A 85 6.534 1.642 -3.300 1.00 0.00 H new ATOM 0 HG CYS A 85 5.550 2.156 -0.940 1.00 0.00 H new ATOM 1347 N GLY A 86 6.278 2.948 -5.901 1.00 0.00 N ATOM 1348 CA GLY A 86 7.203 3.192 -6.991 1.00 0.00 C ATOM 1349 C GLY A 86 8.224 4.262 -6.657 1.00 0.00 C ATOM 1350 O GLY A 86 8.063 5.003 -5.687 1.00 0.00 O ATOM 0 H GLY A 86 6.087 3.758 -5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.720 2.265 -7.239 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.644 3.492 -7.878 1.00 0.00 H new ATOM 1354 N SER A 87 9.279 4.343 -7.461 1.00 0.00 N ATOM 1355 CA SER A 87 10.331 5.329 -7.245 1.00 0.00 C ATOM 1356 C SER A 87 10.715 6.011 -8.554 1.00 0.00 C ATOM 1357 O SER A 87 10.485 7.207 -8.734 1.00 0.00 O ATOM 1358 CB SER A 87 11.560 4.667 -6.620 1.00 0.00 C ATOM 1359 OG SER A 87 12.644 5.577 -6.537 1.00 0.00 O ATOM 0 H SER A 87 9.428 3.737 -8.268 1.00 0.00 H new ATOM 0 HA SER A 87 9.949 6.087 -6.561 1.00 0.00 H new ATOM 0 HB2 SER A 87 11.312 4.300 -5.624 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.853 3.802 -7.215 1.00 0.00 H new ATOM 0 HG SER A 87 12.812 5.801 -5.598 1.00 0.00 H new ATOM 1365 N ILE A 88 11.305 5.242 -9.465 1.00 0.00 N ATOM 1366 CA ILE A 88 11.722 5.773 -10.758 1.00 0.00 C ATOM 1367 C ILE A 88 11.222 4.897 -11.903 1.00 0.00 C ATOM 1368 O ILE A 88 10.756 5.402 -12.925 1.00 0.00 O ATOM 1369 CB ILE A 88 13.255 5.896 -10.849 1.00 0.00 C ATOM 1370 CG1 ILE A 88 13.918 4.542 -10.591 1.00 0.00 C ATOM 1371 CG2 ILE A 88 13.763 6.937 -9.864 1.00 0.00 C ATOM 1372 CD1 ILE A 88 14.158 3.736 -11.849 1.00 0.00 C ATOM 0 H ILE A 88 11.505 4.251 -9.332 1.00 0.00 H new ATOM 0 HA ILE A 88 11.281 6.766 -10.847 1.00 0.00 H new ATOM 0 HB ILE A 88 13.517 6.219 -11.857 1.00 0.00 H new ATOM 0 HG12 ILE A 88 14.870 4.703 -10.086 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.291 3.963 -9.913 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.848 7.012 -9.941 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.315 7.904 -10.094 1.00 0.00 H new ATOM 0 HG23 ILE A 88 13.490 6.642 -8.851 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.631 2.789 -11.590 1.00 0.00 H new ATOM 0 HD12 ILE A 88 13.207 3.543 -12.345 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.810 4.295 -12.520 1.00 0.00 H new ATOM 1384 N GLU A 89 11.322 3.582 -11.727 1.00 0.00 N ATOM 1385 CA GLU A 89 10.879 2.639 -12.747 1.00 0.00 C ATOM 1386 C GLU A 89 9.395 2.823 -13.054 1.00 0.00 C ATOM 1387 O GLU A 89 8.617 3.218 -12.184 1.00 0.00 O ATOM 1388 CB GLU A 89 11.143 1.203 -12.291 1.00 0.00 C ATOM 1389 CG GLU A 89 10.467 0.848 -10.978 1.00 0.00 C ATOM 1390 CD GLU A 89 11.395 0.993 -9.787 1.00 0.00 C ATOM 1391 OE1 GLU A 89 12.236 0.094 -9.576 1.00 0.00 O ATOM 1392 OE2 GLU A 89 11.280 2.006 -9.065 1.00 0.00 O ATOM 0 H GLU A 89 11.706 3.147 -10.888 1.00 0.00 H new ATOM 0 HA GLU A 89 11.446 2.835 -13.657 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.799 0.516 -13.064 1.00 0.00 H new ATOM 0 HB3 GLU A 89 12.218 1.055 -12.188 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.597 1.489 -10.836 1.00 0.00 H new ATOM 0 HG3 GLU A 89 10.102 -0.178 -11.027 1.00 0.00 H new ATOM 1399 N PRO A 90 8.980 2.538 -14.300 1.00 0.00 N ATOM 1400 CA PRO A 90 7.581 2.675 -14.717 1.00 0.00 C ATOM 1401 C PRO A 90 6.681 1.625 -14.075 1.00 0.00 C ATOM 1402 O PRO A 90 7.158 0.609 -13.568 1.00 0.00 O ATOM 1403 CB PRO A 90 7.640 2.472 -16.233 1.00 0.00 C ATOM 1404 CG PRO A 90 8.858 1.645 -16.457 1.00 0.00 C ATOM 1405 CD PRO A 90 9.842 2.060 -15.399 1.00 0.00 C ATOM 0 HA PRO A 90 7.159 3.634 -14.418 1.00 0.00 H new ATOM 0 HB2 PRO A 90 6.746 1.968 -16.600 1.00 0.00 H new ATOM 0 HB3 PRO A 90 7.707 3.425 -16.758 1.00 0.00 H new ATOM 0 HG2 PRO A 90 8.628 0.582 -16.380 1.00 0.00 H new ATOM 0 HG3 PRO A 90 9.264 1.812 -17.455 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.469 1.226 -15.084 1.00 0.00 H new ATOM 0 HD3 PRO A 90 10.510 2.844 -15.756 1.00 0.00 H new ATOM 1413 N PHE A 91 5.376 1.876 -14.100 1.00 0.00 N ATOM 1414 CA PHE A 91 4.408 0.952 -13.520 1.00 0.00 C ATOM 1415 C PHE A 91 4.373 -0.359 -14.299 1.00 0.00 C ATOM 1416 O PHE A 91 4.719 -0.400 -15.481 1.00 0.00 O ATOM 1417 CB PHE A 91 3.016 1.585 -13.501 1.00 0.00 C ATOM 1418 CG PHE A 91 2.045 0.874 -12.601 1.00 0.00 C ATOM 1419 CD1 PHE A 91 1.414 -0.286 -13.020 1.00 0.00 C ATOM 1420 CD2 PHE A 91 1.765 1.366 -11.337 1.00 0.00 C ATOM 1421 CE1 PHE A 91 0.520 -0.942 -12.195 1.00 0.00 C ATOM 1422 CE2 PHE A 91 0.874 0.714 -10.507 1.00 0.00 C ATOM 1423 CZ PHE A 91 0.250 -0.442 -10.937 1.00 0.00 C ATOM 0 H PHE A 91 4.964 2.712 -14.516 1.00 0.00 H new ATOM 0 HA PHE A 91 4.716 0.737 -12.497 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.102 2.623 -13.181 1.00 0.00 H new ATOM 0 HB3 PHE A 91 2.617 1.596 -14.515 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.623 -0.682 -14.003 1.00 0.00 H new ATOM 0 HD2 PHE A 91 2.249 2.270 -10.996 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.033 -1.845 -12.534 1.00 0.00 H new ATOM 0 HE2 PHE A 91 0.665 1.107 -9.523 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.447 -0.953 -10.290 1.00 0.00 H new ATOM 1433 N LYS A 92 3.952 -1.428 -13.632 1.00 0.00 N ATOM 1434 CA LYS A 92 3.871 -2.740 -14.261 1.00 0.00 C ATOM 1435 C LYS A 92 2.562 -3.436 -13.904 1.00 0.00 C ATOM 1436 O LYS A 92 2.138 -3.426 -12.749 1.00 0.00 O ATOM 1437 CB LYS A 92 5.057 -3.607 -13.835 1.00 0.00 C ATOM 1438 CG LYS A 92 6.336 -3.307 -14.599 1.00 0.00 C ATOM 1439 CD LYS A 92 7.519 -4.071 -14.026 1.00 0.00 C ATOM 1440 CE LYS A 92 8.833 -3.596 -14.628 1.00 0.00 C ATOM 1441 NZ LYS A 92 9.741 -4.732 -14.945 1.00 0.00 N ATOM 0 H LYS A 92 3.661 -1.411 -12.654 1.00 0.00 H new ATOM 0 HA LYS A 92 3.902 -2.599 -15.341 1.00 0.00 H new ATOM 0 HB2 LYS A 92 5.238 -3.463 -12.770 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.798 -4.656 -13.975 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.205 -3.571 -15.648 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.540 -2.237 -14.563 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.546 -3.944 -12.944 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.393 -5.136 -14.219 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.632 -3.028 -15.536 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.328 -2.919 -13.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.625 -4.366 -15.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.954 -5.260 -14.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.280 -5.365 -15.629 1.00 0.00 H new ATOM 1455 N LYS A 93 1.926 -4.039 -14.903 1.00 0.00 N ATOM 1456 CA LYS A 93 0.665 -4.740 -14.694 1.00 0.00 C ATOM 1457 C LYS A 93 0.907 -6.161 -14.195 1.00 0.00 C ATOM 1458 O LYS A 93 1.420 -7.007 -14.928 1.00 0.00 O ATOM 1459 CB LYS A 93 -0.145 -4.773 -15.993 1.00 0.00 C ATOM 1460 CG LYS A 93 -1.636 -4.564 -15.784 1.00 0.00 C ATOM 1461 CD LYS A 93 -2.414 -5.857 -15.974 1.00 0.00 C ATOM 1462 CE LYS A 93 -3.588 -5.946 -15.013 1.00 0.00 C ATOM 1463 NZ LYS A 93 -4.720 -5.076 -15.435 1.00 0.00 N ATOM 0 H LYS A 93 2.263 -4.056 -15.865 1.00 0.00 H new ATOM 0 HA LYS A 93 0.100 -4.200 -13.934 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.231 -4.002 -16.666 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.014 -5.732 -16.486 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.813 -4.176 -14.781 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.001 -3.813 -16.485 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.777 -5.917 -17.000 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.751 -6.708 -15.820 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.928 -6.980 -14.951 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.262 -5.657 -14.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.500 -5.166 -14.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.403 -4.086 -15.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.049 -5.367 -16.378 1.00 0.00 H new ATOM 1477 N LEU A 94 0.537 -6.414 -12.944 1.00 0.00 N ATOM 1478 CA LEU A 94 0.715 -7.733 -12.347 1.00 0.00 C ATOM 1479 C LEU A 94 -0.490 -8.111 -11.492 1.00 0.00 C ATOM 1480 O LEU A 94 -1.219 -7.243 -11.011 1.00 0.00 O ATOM 1481 CB LEU A 94 1.987 -7.764 -11.498 1.00 0.00 C ATOM 1482 CG LEU A 94 3.287 -7.531 -12.269 1.00 0.00 C ATOM 1483 CD1 LEU A 94 4.358 -6.964 -11.351 1.00 0.00 C ATOM 1484 CD2 LEU A 94 3.763 -8.826 -12.910 1.00 0.00 C ATOM 0 H LEU A 94 0.112 -5.724 -12.324 1.00 0.00 H new ATOM 0 HA LEU A 94 0.807 -8.460 -13.154 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.904 -7.006 -10.719 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.048 -8.730 -10.997 1.00 0.00 H new ATOM 0 HG LEU A 94 3.094 -6.805 -13.059 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.276 -6.805 -11.917 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.018 -6.015 -10.938 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.550 -7.665 -10.539 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.689 -8.643 -13.455 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.939 -9.572 -12.135 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.002 -9.192 -13.600 1.00 0.00 H new ATOM 1496 N GLU A 95 -0.693 -9.411 -11.306 1.00 0.00 N ATOM 1497 CA GLU A 95 -1.810 -9.903 -10.507 1.00 0.00 C ATOM 1498 C GLU A 95 -1.409 -10.045 -9.043 1.00 0.00 C ATOM 1499 O GLU A 95 -0.842 -11.060 -8.639 1.00 0.00 O ATOM 1500 CB GLU A 95 -2.296 -11.249 -11.048 1.00 0.00 C ATOM 1501 CG GLU A 95 -3.268 -11.122 -12.211 1.00 0.00 C ATOM 1502 CD GLU A 95 -2.719 -11.707 -13.498 1.00 0.00 C ATOM 1503 OE1 GLU A 95 -1.652 -11.243 -13.953 1.00 0.00 O ATOM 1504 OE2 GLU A 95 -3.356 -12.629 -14.050 1.00 0.00 O ATOM 0 H GLU A 95 -0.099 -10.142 -11.697 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.621 -9.178 -10.574 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.434 -11.835 -11.368 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.777 -11.803 -10.242 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.201 -11.625 -11.957 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.506 -10.070 -12.367 1.00 0.00 H new ATOM 1511 N TYR A 96 -1.707 -9.019 -8.251 1.00 0.00 N ATOM 1512 CA TYR A 96 -1.377 -9.029 -6.831 1.00 0.00 C ATOM 1513 C TYR A 96 -2.513 -9.631 -6.011 1.00 0.00 C ATOM 1514 O TYR A 96 -2.281 -10.418 -5.094 1.00 0.00 O ATOM 1515 CB TYR A 96 -1.079 -7.610 -6.346 1.00 0.00 C ATOM 1516 CG TYR A 96 0.041 -6.932 -7.102 1.00 0.00 C ATOM 1517 CD1 TYR A 96 -0.212 -6.231 -8.274 1.00 0.00 C ATOM 1518 CD2 TYR A 96 1.351 -6.994 -6.645 1.00 0.00 C ATOM 1519 CE1 TYR A 96 0.808 -5.610 -8.969 1.00 0.00 C ATOM 1520 CE2 TYR A 96 2.378 -6.376 -7.334 1.00 0.00 C ATOM 1521 CZ TYR A 96 2.101 -5.686 -8.495 1.00 0.00 C ATOM 1522 OH TYR A 96 3.121 -5.069 -9.184 1.00 0.00 O ATOM 0 H TYR A 96 -2.176 -8.171 -8.569 1.00 0.00 H new ATOM 0 HA TYR A 96 -0.489 -9.647 -6.695 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -1.983 -7.008 -6.436 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -0.822 -7.644 -5.287 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -1.223 -6.170 -8.648 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.571 -7.534 -5.736 1.00 0.00 H new ATOM 0 HE1 TYR A 96 0.594 -5.068 -9.878 1.00 0.00 H new ATOM 0 HE2 TYR A 96 3.391 -6.433 -6.965 1.00 0.00 H new ATOM 0 HH TYR A 96 2.758 -4.627 -9.980 1.00 0.00 H new ATOM 1532 N THR A 97 -3.744 -9.255 -6.347 1.00 0.00 N ATOM 1533 CA THR A 97 -4.919 -9.757 -5.641 1.00 0.00 C ATOM 1534 C THR A 97 -4.956 -11.282 -5.652 1.00 0.00 C ATOM 1535 O THR A 97 -5.491 -11.906 -4.735 1.00 0.00 O ATOM 1536 CB THR A 97 -6.195 -9.200 -6.274 1.00 0.00 C ATOM 1537 OG1 THR A 97 -6.341 -9.669 -7.602 1.00 0.00 O ATOM 1538 CG2 THR A 97 -6.232 -7.688 -6.314 1.00 0.00 C ATOM 0 H THR A 97 -3.954 -8.604 -7.104 1.00 0.00 H new ATOM 0 HA THR A 97 -4.858 -9.423 -4.605 1.00 0.00 H new ATOM 0 HB THR A 97 -7.009 -9.550 -5.640 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.164 -9.303 -7.989 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.163 -7.359 -6.775 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.171 -7.296 -5.299 1.00 0.00 H new ATOM 0 HG23 THR A 97 -5.388 -7.319 -6.897 1.00 0.00 H new ATOM 1546 N LYS A 98 -4.387 -11.876 -6.695 1.00 0.00 N ATOM 1547 CA LYS A 98 -4.357 -13.329 -6.824 1.00 0.00 C ATOM 1548 C LYS A 98 -3.435 -13.953 -5.780 1.00 0.00 C ATOM 1549 O LYS A 98 -3.639 -15.092 -5.360 1.00 0.00 O ATOM 1550 CB LYS A 98 -3.901 -13.727 -8.228 1.00 0.00 C ATOM 1551 CG LYS A 98 -4.263 -15.155 -8.603 1.00 0.00 C ATOM 1552 CD LYS A 98 -3.810 -15.494 -10.014 1.00 0.00 C ATOM 1553 CE LYS A 98 -4.969 -15.452 -10.998 1.00 0.00 C ATOM 1554 NZ LYS A 98 -4.884 -16.548 -12.003 1.00 0.00 N ATOM 0 H LYS A 98 -3.941 -11.375 -7.463 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.367 -13.703 -6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.347 -13.046 -8.953 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.820 -13.604 -8.298 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.802 -15.845 -7.896 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.342 -15.290 -8.524 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.039 -14.790 -10.328 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.359 -16.486 -10.024 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.910 -15.530 -10.454 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.976 -14.490 -11.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.692 -16.485 -12.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.998 -16.459 -12.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.903 -17.467 -11.517 1.00 0.00 H new ATOM 1568 N ASN A 99 -2.418 -13.202 -5.369 1.00 0.00 N ATOM 1569 CA ASN A 99 -1.464 -13.685 -4.377 1.00 0.00 C ATOM 1570 C ASN A 99 -1.796 -13.143 -2.989 1.00 0.00 C ATOM 1571 O ASN A 99 -0.901 -12.829 -2.205 1.00 0.00 O ATOM 1572 CB ASN A 99 -0.042 -13.282 -4.769 1.00 0.00 C ATOM 1573 CG ASN A 99 0.415 -13.947 -6.051 1.00 0.00 C ATOM 1574 OD1 ASN A 99 0.677 -15.150 -6.082 1.00 0.00 O ATOM 1575 ND2 ASN A 99 0.513 -13.166 -7.121 1.00 0.00 N ATOM 0 H ASN A 99 -2.233 -12.258 -5.707 1.00 0.00 H new ATOM 0 HA ASN A 99 -1.531 -14.772 -4.346 1.00 0.00 H new ATOM 0 HB2 ASN A 99 0.006 -12.200 -4.887 1.00 0.00 H new ATOM 0 HB3 ASN A 99 0.642 -13.545 -3.963 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.815 -13.558 -8.013 1.00 0.00 H new ATOM 0 HD22 ASN A 99 0.286 -12.174 -7.051 1.00 0.00 H new ATOM 1582 N VAL A 100 -3.087 -13.037 -2.693 1.00 0.00 N ATOM 1583 CA VAL A 100 -3.536 -12.534 -1.399 1.00 0.00 C ATOM 1584 C VAL A 100 -4.915 -13.083 -1.046 1.00 0.00 C ATOM 1585 O VAL A 100 -5.767 -13.255 -1.918 1.00 0.00 O ATOM 1586 CB VAL A 100 -3.586 -10.995 -1.379 1.00 0.00 C ATOM 1587 CG1 VAL A 100 -3.929 -10.486 0.014 1.00 0.00 C ATOM 1588 CG2 VAL A 100 -2.265 -10.410 -1.856 1.00 0.00 C ATOM 0 H VAL A 100 -3.841 -13.292 -3.331 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.812 -12.874 -0.659 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.370 -10.669 -2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.959 -9.396 0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.903 -10.874 0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.171 -10.823 0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.320 -9.322 -1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.461 -10.745 -1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.066 -10.743 -2.875 1.00 0.00 H new ATOM 1598 N ASN A 101 -5.127 -13.354 0.238 1.00 0.00 N ATOM 1599 CA ASN A 101 -6.403 -13.882 0.708 1.00 0.00 C ATOM 1600 C ASN A 101 -7.199 -12.803 1.443 1.00 0.00 C ATOM 1601 O ASN A 101 -6.747 -12.276 2.460 1.00 0.00 O ATOM 1602 CB ASN A 101 -6.173 -15.081 1.629 1.00 0.00 C ATOM 1603 CG ASN A 101 -6.338 -16.404 0.907 1.00 0.00 C ATOM 1604 OD1 ASN A 101 -7.265 -16.582 0.118 1.00 0.00 O ATOM 1605 ND2 ASN A 101 -5.437 -17.342 1.177 1.00 0.00 N ATOM 0 H ASN A 101 -4.432 -13.217 0.972 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.978 -14.205 -0.159 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.170 -15.024 2.052 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -6.874 -15.035 2.463 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.498 -18.253 0.723 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.684 -17.151 1.838 1.00 0.00 H new ATOM 1612 N PRO A 102 -8.400 -12.457 0.941 1.00 0.00 N ATOM 1613 CA PRO A 102 -9.248 -11.435 1.564 1.00 0.00 C ATOM 1614 C PRO A 102 -9.555 -11.750 3.024 1.00 0.00 C ATOM 1615 O PRO A 102 -10.520 -12.451 3.329 1.00 0.00 O ATOM 1616 CB PRO A 102 -10.534 -11.470 0.731 1.00 0.00 C ATOM 1617 CG PRO A 102 -10.130 -12.062 -0.575 1.00 0.00 C ATOM 1618 CD PRO A 102 -9.022 -13.029 -0.266 1.00 0.00 C ATOM 0 HA PRO A 102 -8.761 -10.460 1.575 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.303 -12.072 1.216 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.947 -10.470 0.600 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.970 -12.569 -1.050 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.792 -11.289 -1.266 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.404 -14.034 -0.084 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.311 -13.102 -1.089 1.00 0.00 H new ATOM 1626 N ASN A 103 -8.728 -11.226 3.922 1.00 0.00 N ATOM 1627 CA ASN A 103 -8.912 -11.450 5.352 1.00 0.00 C ATOM 1628 C ASN A 103 -7.959 -10.577 6.163 1.00 0.00 C ATOM 1629 O ASN A 103 -7.431 -11.003 7.189 1.00 0.00 O ATOM 1630 CB ASN A 103 -8.687 -12.924 5.690 1.00 0.00 C ATOM 1631 CG ASN A 103 -9.546 -13.387 6.851 1.00 0.00 C ATOM 1632 OD1 ASN A 103 -10.438 -14.219 6.684 1.00 0.00 O ATOM 1633 ND2 ASN A 103 -9.281 -12.848 8.035 1.00 0.00 N ATOM 0 H ASN A 103 -7.924 -10.644 3.686 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.935 -11.178 5.611 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.907 -13.533 4.813 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -7.636 -13.082 5.933 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -9.826 -13.120 8.853 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.532 -12.162 8.127 1.00 0.00 H new ATOM 1640 N TRP A 104 -7.746 -9.352 5.694 1.00 0.00 N ATOM 1641 CA TRP A 104 -6.858 -8.415 6.374 1.00 0.00 C ATOM 1642 C TRP A 104 -7.630 -7.195 6.866 1.00 0.00 C ATOM 1643 O TRP A 104 -7.380 -6.690 7.961 1.00 0.00 O ATOM 1644 CB TRP A 104 -5.733 -7.975 5.434 1.00 0.00 C ATOM 1645 CG TRP A 104 -6.231 -7.378 4.154 1.00 0.00 C ATOM 1646 CD1 TRP A 104 -6.766 -8.047 3.090 1.00 0.00 C ATOM 1647 CD2 TRP A 104 -6.238 -5.990 3.799 1.00 0.00 C ATOM 1648 NE1 TRP A 104 -7.107 -7.161 2.098 1.00 0.00 N ATOM 1649 CE2 TRP A 104 -6.792 -5.892 2.509 1.00 0.00 C ATOM 1650 CE3 TRP A 104 -5.830 -4.821 4.448 1.00 0.00 C ATOM 1651 CZ2 TRP A 104 -6.949 -4.672 1.856 1.00 0.00 C ATOM 1652 CZ3 TRP A 104 -5.986 -3.611 3.800 1.00 0.00 C ATOM 1653 CH2 TRP A 104 -6.542 -3.544 2.516 1.00 0.00 C ATOM 0 H TRP A 104 -8.176 -8.984 4.845 1.00 0.00 H new ATOM 0 HA TRP A 104 -6.426 -8.922 7.237 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -5.105 -7.247 5.946 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -5.103 -8.834 5.205 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -6.901 -9.117 3.037 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -7.526 -7.407 1.201 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -5.401 -4.863 5.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -7.376 -4.618 0.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -5.674 -2.701 4.292 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -6.652 -2.582 2.037 1.00 0.00 H new ATOM 1664 N SER A 105 -8.568 -6.726 6.050 1.00 0.00 N ATOM 1665 CA SER A 105 -9.376 -5.564 6.401 1.00 0.00 C ATOM 1666 C SER A 105 -10.762 -5.987 6.877 1.00 0.00 C ATOM 1667 O SER A 105 -11.741 -5.265 6.688 1.00 0.00 O ATOM 1668 CB SER A 105 -9.502 -4.623 5.202 1.00 0.00 C ATOM 1669 OG SER A 105 -10.363 -3.536 5.494 1.00 0.00 O ATOM 0 H SER A 105 -8.787 -7.133 5.141 1.00 0.00 H new ATOM 0 HA SER A 105 -8.877 -5.039 7.216 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.517 -4.247 4.926 1.00 0.00 H new ATOM 0 HB3 SER A 105 -9.885 -5.173 4.343 1.00 0.00 H new ATOM 0 HG SER A 105 -11.205 -3.876 5.863 1.00 0.00 H new