USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 811 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 GLN : amide:sc= 0 X(o=-1.4,f=-1.4) USER MOD Set 1.2: A 117 SER OG : rot -41:sc= -1.43! USER MOD Set 2.1: A 50 THR OG1 : rot -88:sc= 0.917 USER MOD Set 2.2: A 98 TYR OH : rot -15:sc= 1.24 USER MOD Set 3.1: A 85 SER OG : rot -83:sc= 0.631 USER MOD Set 3.2: A 87 ASN : amide:sc= -0.334 K(o=0.3,f=-1.4) USER MOD Set 4.1: A 38 ASN : amide:sc= -2.86! C(o=-3!,f=-8.1!) USER MOD Set 4.2: A 61 ASN : amide:sc= -0.093 K(o=-3,f=-1.9) USER MOD Single : A 13 ASN : amide:sc= -0.346 K(o=-0.35,f=-1.5!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -11! C(o=-11!,f=-9!) USER MOD Single : A 42 TYR OH : rot 1:sc= -0.124! USER MOD Single : A 43 ASN : amide:sc= -9.03! C(o=-9!,f=-11!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0201 X(o=-0.02,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 146:sc= -0.134 (180deg=-1.02) USER MOD Single : A 69 CYS SG : rot 115:sc= -0.394 USER MOD Single : A 70 THR OG1 : rot 174:sc= -0.277 USER MOD Single : A 72 SER OG : rot 180:sc= -0.528 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -154:sc= -0.341 (180deg=-1.23) USER MOD Single : A 89 ASN : amide:sc= -3.26! C(o=-3.3!,f=-7!) USER MOD Single : A 90 THR OG1 : rot 160:sc= -0.356 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 174:sc= 1.1 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.0854 X(o=-0.085,f=-0.33) USER MOD Single : A 100 MET CE :methyl 136:sc= -3.33! (180deg=-6.86!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0422 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 164:sc= 0.00211 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 156:sc= -0.285 (180deg=-1.02) USER MOD Single : A 108 HIS : no HE2:sc= -1.25 K(o=-1.3,f=-2!) USER MOD Single : A 109 MET CE :methyl 166:sc= -1.22 (180deg=-1.56) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= -2.1! USER MOD Single : A 123 LYS NZ :NH3+ -148:sc= -0.472 (180deg=-1.91!) USER MOD ----------------------------------------------------------------- ATOM 131 N ASP A 10 13.615 4.549 0.981 1.00 0.00 N ATOM 132 CA ASP A 10 12.758 5.592 0.291 1.00 0.00 C ATOM 133 C ASP A 10 11.809 4.929 -0.707 1.00 0.00 C ATOM 134 O ASP A 10 12.032 4.955 -1.902 1.00 0.00 O ATOM 135 CB ASP A 10 13.662 6.580 -0.446 1.00 0.00 C ATOM 136 CG ASP A 10 14.618 7.234 0.553 1.00 0.00 C ATOM 137 OD1 ASP A 10 15.456 6.528 1.090 1.00 0.00 O ATOM 138 OD2 ASP A 10 14.495 8.429 0.765 1.00 0.00 O ATOM 0 HA ASP A 10 12.167 6.117 1.041 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.227 6.064 -1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.060 7.341 -0.942 1.00 0.00 H new ATOM 143 N ILE A 11 10.781 4.292 -0.225 1.00 0.00 N ATOM 144 CA ILE A 11 9.867 3.586 -1.140 1.00 0.00 C ATOM 145 C ILE A 11 9.361 4.528 -2.217 1.00 0.00 C ATOM 146 O ILE A 11 9.645 4.346 -3.372 1.00 0.00 O ATOM 147 CB ILE A 11 8.656 3.031 -0.414 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.913 2.711 1.063 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.226 1.762 -1.125 1.00 0.00 C ATOM 150 CD1 ILE A 11 10.021 1.678 1.189 1.00 0.00 C ATOM 0 H ILE A 11 10.540 4.234 0.764 1.00 0.00 H new ATOM 0 HA ILE A 11 10.438 2.766 -1.576 1.00 0.00 H new ATOM 0 HB ILE A 11 7.884 3.800 -0.432 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.190 3.620 1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.000 2.335 1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.355 1.341 -0.623 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.972 1.993 -2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.042 1.039 -1.104 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.195 1.458 2.242 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.728 0.765 0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.936 2.069 0.744 1.00 0.00 H new ATOM 162 N GLU A 12 8.571 5.501 -1.837 1.00 0.00 N ATOM 163 CA GLU A 12 7.967 6.449 -2.826 1.00 0.00 C ATOM 164 C GLU A 12 8.911 6.751 -4.000 1.00 0.00 C ATOM 165 O GLU A 12 8.513 6.700 -5.147 1.00 0.00 O ATOM 166 CB GLU A 12 7.600 7.759 -2.123 1.00 0.00 C ATOM 167 CG GLU A 12 8.833 8.327 -1.416 1.00 0.00 C ATOM 168 CD GLU A 12 8.419 9.506 -0.533 1.00 0.00 C ATOM 169 OE1 GLU A 12 7.279 9.526 -0.099 1.00 0.00 O ATOM 170 OE2 GLU A 12 9.251 10.369 -0.303 1.00 0.00 O ATOM 0 H GLU A 12 8.314 5.682 -0.867 1.00 0.00 H new ATOM 0 HA GLU A 12 7.077 5.970 -3.233 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.221 8.479 -2.849 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.803 7.585 -1.401 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.306 7.554 -0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.570 8.651 -2.151 1.00 0.00 H new ATOM 177 N ASN A 13 10.150 7.060 -3.735 1.00 0.00 N ATOM 178 CA ASN A 13 11.088 7.355 -4.858 1.00 0.00 C ATOM 179 C ASN A 13 11.256 6.096 -5.715 1.00 0.00 C ATOM 180 O ASN A 13 11.171 6.138 -6.926 1.00 0.00 O ATOM 181 CB ASN A 13 12.450 7.773 -4.297 1.00 0.00 C ATOM 182 CG ASN A 13 12.914 9.056 -4.990 1.00 0.00 C ATOM 183 OD1 ASN A 13 12.109 9.893 -5.348 1.00 0.00 O ATOM 184 ND2 ASN A 13 14.189 9.246 -5.198 1.00 0.00 N ATOM 0 H ASN A 13 10.552 7.121 -2.800 1.00 0.00 H new ATOM 0 HA ASN A 13 10.685 8.165 -5.466 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.379 7.933 -3.221 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.179 6.978 -4.453 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.509 10.097 -5.661 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.865 8.544 -4.898 1.00 0.00 H new ATOM 191 N THR A 14 11.496 4.980 -5.087 1.00 0.00 N ATOM 192 CA THR A 14 11.675 3.704 -5.839 1.00 0.00 C ATOM 193 C THR A 14 10.341 3.259 -6.453 1.00 0.00 C ATOM 194 O THR A 14 10.301 2.378 -7.286 1.00 0.00 O ATOM 195 CB THR A 14 12.169 2.624 -4.861 1.00 0.00 C ATOM 196 OG1 THR A 14 13.524 2.878 -4.525 1.00 0.00 O ATOM 197 CG2 THR A 14 12.056 1.231 -5.494 1.00 0.00 C ATOM 0 H THR A 14 11.577 4.895 -4.074 1.00 0.00 H new ATOM 0 HA THR A 14 12.399 3.852 -6.640 1.00 0.00 H new ATOM 0 HB THR A 14 11.550 2.654 -3.964 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.840 2.192 -3.901 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.410 0.480 -4.787 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.015 1.029 -5.746 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.663 1.192 -6.399 1.00 0.00 H new ATOM 205 N LEU A 15 9.253 3.839 -6.047 1.00 0.00 N ATOM 206 CA LEU A 15 7.946 3.415 -6.606 1.00 0.00 C ATOM 207 C LEU A 15 7.563 4.337 -7.765 1.00 0.00 C ATOM 208 O LEU A 15 6.716 4.012 -8.573 1.00 0.00 O ATOM 209 CB LEU A 15 6.888 3.464 -5.502 1.00 0.00 C ATOM 210 CG LEU A 15 7.347 2.633 -4.310 1.00 0.00 C ATOM 211 CD1 LEU A 15 6.534 3.038 -3.088 1.00 0.00 C ATOM 212 CD2 LEU A 15 7.119 1.151 -4.586 1.00 0.00 C ATOM 0 H LEU A 15 9.211 4.586 -5.354 1.00 0.00 H new ATOM 0 HA LEU A 15 8.013 2.395 -6.984 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.718 4.496 -5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.939 3.083 -5.878 1.00 0.00 H new ATOM 0 HG LEU A 15 8.409 2.806 -4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.853 2.450 -2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.690 4.097 -2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.476 2.857 -3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.450 0.566 -3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.058 0.972 -4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.686 0.854 -5.468 1.00 0.00 H new ATOM 224 N ALA A 16 8.197 5.475 -7.871 1.00 0.00 N ATOM 225 CA ALA A 16 7.883 6.396 -8.995 1.00 0.00 C ATOM 226 C ALA A 16 8.757 6.018 -10.192 1.00 0.00 C ATOM 227 O ALA A 16 8.400 6.234 -11.333 1.00 0.00 O ATOM 228 CB ALA A 16 8.180 7.837 -8.578 1.00 0.00 C ATOM 0 H ALA A 16 8.917 5.803 -7.227 1.00 0.00 H new ATOM 0 HA ALA A 16 6.829 6.314 -9.261 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.949 8.510 -9.404 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.569 8.099 -7.714 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.234 7.931 -8.318 1.00 0.00 H new ATOM 340 N ASP A 24 10.536 -5.479 -5.605 1.00 0.00 N ATOM 341 CA ASP A 24 9.411 -6.363 -5.190 1.00 0.00 C ATOM 342 C ASP A 24 9.892 -7.368 -4.134 1.00 0.00 C ATOM 343 O ASP A 24 9.155 -8.242 -3.723 1.00 0.00 O ATOM 344 CB ASP A 24 8.901 -7.126 -6.414 1.00 0.00 C ATOM 345 CG ASP A 24 7.910 -6.254 -7.186 1.00 0.00 C ATOM 346 OD1 ASP A 24 7.388 -5.323 -6.598 1.00 0.00 O ATOM 347 OD2 ASP A 24 7.691 -6.533 -8.353 1.00 0.00 O ATOM 0 HA ASP A 24 8.612 -5.755 -4.766 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.737 -7.401 -7.058 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.419 -8.053 -6.103 1.00 0.00 H new ATOM 352 N GLY A 25 11.121 -7.261 -3.697 1.00 0.00 N ATOM 353 CA GLY A 25 11.633 -8.222 -2.679 1.00 0.00 C ATOM 354 C GLY A 25 11.601 -7.583 -1.289 1.00 0.00 C ATOM 355 O GLY A 25 12.380 -7.929 -0.423 1.00 0.00 O ATOM 0 H GLY A 25 11.788 -6.552 -4.001 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.027 -9.128 -2.685 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.652 -8.519 -2.928 1.00 0.00 H new ATOM 359 N LEU A 26 10.709 -6.659 -1.059 1.00 0.00 N ATOM 360 CA LEU A 26 10.639 -6.019 0.274 1.00 0.00 C ATOM 361 C LEU A 26 9.790 -6.885 1.197 1.00 0.00 C ATOM 362 O LEU A 26 9.383 -7.979 0.858 1.00 0.00 O ATOM 363 CB LEU A 26 9.981 -4.638 0.155 1.00 0.00 C ATOM 364 CG LEU A 26 10.719 -3.785 -0.879 1.00 0.00 C ATOM 365 CD1 LEU A 26 9.725 -2.848 -1.573 1.00 0.00 C ATOM 366 CD2 LEU A 26 11.791 -2.950 -0.176 1.00 0.00 C ATOM 0 H LEU A 26 10.028 -6.323 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 26 11.647 -5.911 0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.936 -4.749 -0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.992 -4.138 1.123 1.00 0.00 H new ATOM 0 HG LEU A 26 11.186 -4.435 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.251 -2.241 -2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.956 -3.438 -2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.260 -2.198 -0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.318 -2.341 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.320 -2.301 0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.499 -3.612 0.322 1.00 0.00 H new ATOM 378 N ALA A 27 9.506 -6.375 2.349 1.00 0.00 N ATOM 379 CA ALA A 27 8.656 -7.115 3.325 1.00 0.00 C ATOM 380 C ALA A 27 7.325 -6.371 3.482 1.00 0.00 C ATOM 381 O ALA A 27 6.410 -6.834 4.142 1.00 0.00 O ATOM 382 CB ALA A 27 9.366 -7.185 4.678 1.00 0.00 C ATOM 0 H ALA A 27 9.828 -5.462 2.669 1.00 0.00 H new ATOM 0 HA ALA A 27 8.476 -8.128 2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.742 -7.727 5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.318 -7.703 4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.545 -6.175 5.048 1.00 0.00 H new ATOM 388 N PHE A 28 7.208 -5.218 2.873 1.00 0.00 N ATOM 389 CA PHE A 28 5.948 -4.440 2.972 1.00 0.00 C ATOM 390 C PHE A 28 5.434 -4.162 1.562 1.00 0.00 C ATOM 391 O PHE A 28 6.075 -3.487 0.782 1.00 0.00 O ATOM 392 CB PHE A 28 6.217 -3.102 3.669 1.00 0.00 C ATOM 393 CG PHE A 28 7.463 -2.485 3.067 1.00 0.00 C ATOM 394 CD1 PHE A 28 8.731 -2.892 3.501 1.00 0.00 C ATOM 395 CD2 PHE A 28 7.349 -1.534 2.049 1.00 0.00 C ATOM 396 CE1 PHE A 28 9.885 -2.346 2.918 1.00 0.00 C ATOM 397 CE2 PHE A 28 8.501 -0.991 1.460 1.00 0.00 C ATOM 398 CZ PHE A 28 9.771 -1.396 1.893 1.00 0.00 C ATOM 0 H PHE A 28 7.939 -4.784 2.309 1.00 0.00 H new ATOM 0 HA PHE A 28 5.214 -5.007 3.544 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.366 -2.433 3.545 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.350 -3.253 4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.821 -3.628 4.286 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.372 -1.216 1.715 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.861 -2.658 3.259 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.409 -0.259 0.671 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.658 -0.978 1.439 1.00 0.00 H new ATOM 408 N GLY A 29 4.283 -4.662 1.223 1.00 0.00 N ATOM 409 CA GLY A 29 3.745 -4.400 -0.138 1.00 0.00 C ATOM 410 C GLY A 29 3.653 -2.892 -0.343 1.00 0.00 C ATOM 411 O GLY A 29 3.292 -2.168 0.557 1.00 0.00 O ATOM 0 H GLY A 29 3.694 -5.238 1.824 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.393 -4.846 -0.893 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.762 -4.858 -0.251 1.00 0.00 H new ATOM 415 N ALA A 30 3.963 -2.404 -1.508 1.00 0.00 N ATOM 416 CA ALA A 30 3.862 -0.936 -1.723 1.00 0.00 C ATOM 417 C ALA A 30 2.814 -0.688 -2.798 1.00 0.00 C ATOM 418 O ALA A 30 2.968 -1.091 -3.933 1.00 0.00 O ATOM 419 CB ALA A 30 5.215 -0.355 -2.150 1.00 0.00 C ATOM 0 H ALA A 30 4.278 -2.948 -2.311 1.00 0.00 H new ATOM 0 HA ALA A 30 3.573 -0.444 -0.794 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.118 0.720 -2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.955 -0.546 -1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.536 -0.825 -3.080 1.00 0.00 H new ATOM 425 N ILE A 31 1.732 -0.055 -2.444 1.00 0.00 N ATOM 426 CA ILE A 31 0.665 0.187 -3.447 1.00 0.00 C ATOM 427 C ILE A 31 0.461 1.693 -3.638 1.00 0.00 C ATOM 428 O ILE A 31 0.658 2.474 -2.734 1.00 0.00 O ATOM 429 CB ILE A 31 -0.640 -0.480 -2.970 1.00 0.00 C ATOM 430 CG1 ILE A 31 -1.274 0.325 -1.830 1.00 0.00 C ATOM 431 CG2 ILE A 31 -0.329 -1.888 -2.460 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.195 1.397 -2.414 1.00 0.00 C ATOM 0 H ILE A 31 1.542 0.303 -1.508 1.00 0.00 H new ATOM 0 HA ILE A 31 0.956 -0.244 -4.405 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.335 -0.521 -3.809 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.839 -0.337 -1.174 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.497 0.789 -1.223 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.249 -2.364 -2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.110 -2.478 -3.265 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.375 -1.827 -1.630 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.646 1.970 -1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.617 2.065 -3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.979 0.921 -3.003 1.00 0.00 H new ATOM 444 N GLN A 32 0.058 2.097 -4.807 1.00 0.00 N ATOM 445 CA GLN A 32 -0.174 3.542 -5.062 1.00 0.00 C ATOM 446 C GLN A 32 -1.650 3.735 -5.396 1.00 0.00 C ATOM 447 O GLN A 32 -2.386 2.780 -5.552 1.00 0.00 O ATOM 448 CB GLN A 32 0.686 4.003 -6.241 1.00 0.00 C ATOM 449 CG GLN A 32 1.807 4.912 -5.734 1.00 0.00 C ATOM 450 CD GLN A 32 2.705 5.316 -6.906 1.00 0.00 C ATOM 451 OE1 GLN A 32 2.512 6.356 -7.504 1.00 0.00 O ATOM 452 NE2 GLN A 32 3.686 4.532 -7.262 1.00 0.00 N ATOM 0 H GLN A 32 -0.122 1.484 -5.602 1.00 0.00 H new ATOM 0 HA GLN A 32 0.094 4.128 -4.183 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.109 3.140 -6.755 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.071 4.537 -6.966 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.385 5.799 -5.262 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.393 4.395 -4.974 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.849 3.659 -6.761 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.290 4.793 -8.042 1.00 0.00 H new ATOM 461 N LEU A 33 -2.095 4.952 -5.508 1.00 0.00 N ATOM 462 CA LEU A 33 -3.527 5.183 -5.831 1.00 0.00 C ATOM 463 C LEU A 33 -3.671 6.523 -6.553 1.00 0.00 C ATOM 464 O LEU A 33 -2.920 7.448 -6.312 1.00 0.00 O ATOM 465 CB LEU A 33 -4.341 5.231 -4.535 1.00 0.00 C ATOM 466 CG LEU A 33 -4.593 3.808 -4.031 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.374 3.854 -2.717 1.00 0.00 C ATOM 468 CD2 LEU A 33 -5.400 3.031 -5.074 1.00 0.00 C ATOM 0 H LEU A 33 -1.532 5.794 -5.390 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.890 4.375 -6.466 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.806 5.805 -3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.290 5.739 -4.709 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.636 3.313 -3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.551 2.838 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.799 4.404 -1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.329 4.353 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.579 2.018 -4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.354 3.530 -5.242 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.842 2.991 -6.010 1.00 0.00 H new ATOM 480 N ASP A 34 -4.637 6.647 -7.420 1.00 0.00 N ATOM 481 CA ASP A 34 -4.827 7.943 -8.132 1.00 0.00 C ATOM 482 C ASP A 34 -6.210 8.502 -7.808 1.00 0.00 C ATOM 483 O ASP A 34 -7.190 7.789 -7.863 1.00 0.00 O ATOM 484 CB ASP A 34 -4.718 7.744 -9.642 1.00 0.00 C ATOM 485 CG ASP A 34 -3.347 8.213 -10.139 1.00 0.00 C ATOM 486 OD1 ASP A 34 -2.699 8.963 -9.427 1.00 0.00 O ATOM 487 OD2 ASP A 34 -2.970 7.818 -11.230 1.00 0.00 O ATOM 0 H ASP A 34 -5.300 5.912 -7.666 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.053 8.637 -7.804 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.862 6.692 -9.889 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.507 8.301 -10.148 1.00 0.00 H new ATOM 492 N GLY A 35 -6.248 9.779 -7.478 1.00 0.00 N ATOM 493 CA GLY A 35 -7.508 10.537 -7.117 1.00 0.00 C ATOM 494 C GLY A 35 -8.785 9.729 -7.345 1.00 0.00 C ATOM 495 O GLY A 35 -9.567 10.013 -8.231 1.00 0.00 O ATOM 0 H GLY A 35 -5.410 10.359 -7.442 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.457 10.835 -6.070 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.555 11.452 -7.707 1.00 0.00 H new ATOM 499 N ASP A 36 -8.989 8.730 -6.537 1.00 0.00 N ATOM 500 CA ASP A 36 -10.202 7.862 -6.654 1.00 0.00 C ATOM 501 C ASP A 36 -9.935 6.552 -5.917 1.00 0.00 C ATOM 502 O ASP A 36 -10.844 5.857 -5.508 1.00 0.00 O ATOM 503 CB ASP A 36 -10.500 7.548 -8.126 1.00 0.00 C ATOM 504 CG ASP A 36 -11.778 8.270 -8.555 1.00 0.00 C ATOM 505 OD1 ASP A 36 -12.706 8.310 -7.764 1.00 0.00 O ATOM 506 OD2 ASP A 36 -11.807 8.771 -9.667 1.00 0.00 O ATOM 0 H ASP A 36 -8.355 8.469 -5.782 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.057 8.383 -6.224 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.665 7.862 -8.752 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.614 6.473 -8.263 1.00 0.00 H new ATOM 511 N GLY A 37 -8.687 6.199 -5.765 1.00 0.00 N ATOM 512 CA GLY A 37 -8.347 4.931 -5.083 1.00 0.00 C ATOM 513 C GLY A 37 -8.016 3.886 -6.147 1.00 0.00 C ATOM 514 O GLY A 37 -8.102 2.698 -5.912 1.00 0.00 O ATOM 0 H GLY A 37 -7.887 6.743 -6.089 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.497 5.075 -4.416 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.182 4.595 -4.468 1.00 0.00 H new ATOM 518 N ASN A 38 -7.630 4.324 -7.320 1.00 0.00 N ATOM 519 CA ASN A 38 -7.287 3.346 -8.393 1.00 0.00 C ATOM 520 C ASN A 38 -5.824 2.939 -8.238 1.00 0.00 C ATOM 521 O ASN A 38 -4.939 3.768 -8.221 1.00 0.00 O ATOM 522 CB ASN A 38 -7.494 3.973 -9.772 1.00 0.00 C ATOM 523 CG ASN A 38 -8.781 4.801 -9.782 1.00 0.00 C ATOM 524 OD1 ASN A 38 -8.767 5.970 -9.452 1.00 0.00 O ATOM 525 ND2 ASN A 38 -9.900 4.239 -10.147 1.00 0.00 N ATOM 0 H ASN A 38 -7.539 5.307 -7.577 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.935 2.474 -8.304 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.643 4.605 -10.025 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.548 3.193 -10.531 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -10.764 4.781 -10.155 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.911 3.257 -10.424 1.00 0.00 H new ATOM 532 N ILE A 39 -5.567 1.672 -8.107 1.00 0.00 N ATOM 533 CA ILE A 39 -4.161 1.211 -7.922 1.00 0.00 C ATOM 534 C ILE A 39 -3.270 1.698 -9.072 1.00 0.00 C ATOM 535 O ILE A 39 -3.609 1.597 -10.234 1.00 0.00 O ATOM 536 CB ILE A 39 -4.139 -0.346 -7.816 1.00 0.00 C ATOM 537 CG1 ILE A 39 -3.505 -0.756 -6.483 1.00 0.00 C ATOM 538 CG2 ILE A 39 -3.338 -1.001 -8.957 1.00 0.00 C ATOM 539 CD1 ILE A 39 -4.446 -1.704 -5.738 1.00 0.00 C ATOM 0 H ILE A 39 -6.268 0.932 -8.120 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.763 1.635 -7.000 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.172 -0.688 -7.885 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.546 -1.243 -6.659 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.307 0.127 -5.876 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.353 -2.084 -8.837 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.786 -0.735 -9.915 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.307 -0.647 -8.928 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.994 -1.995 -4.790 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.394 -1.201 -5.548 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.622 -2.593 -6.344 1.00 0.00 H new ATOM 551 N LEU A 40 -2.109 2.172 -8.735 1.00 0.00 N ATOM 552 CA LEU A 40 -1.137 2.614 -9.770 1.00 0.00 C ATOM 553 C LEU A 40 -0.010 1.576 -9.799 1.00 0.00 C ATOM 554 O LEU A 40 0.600 1.318 -10.818 1.00 0.00 O ATOM 555 CB LEU A 40 -0.556 3.986 -9.406 1.00 0.00 C ATOM 556 CG LEU A 40 -1.624 4.849 -8.728 1.00 0.00 C ATOM 557 CD1 LEU A 40 -1.019 6.199 -8.354 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.794 5.064 -9.690 1.00 0.00 C ATOM 0 H LEU A 40 -1.786 2.274 -7.773 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.626 2.699 -10.741 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.298 3.862 -8.741 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.191 4.485 -10.304 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.982 4.347 -7.829 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.777 6.816 -7.871 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.185 6.047 -7.669 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.663 6.700 -9.254 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.554 5.678 -9.207 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.438 5.567 -10.589 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.225 4.100 -9.960 1.00 0.00 H new ATOM 570 N GLN A 41 0.252 0.977 -8.665 1.00 0.00 N ATOM 571 CA GLN A 41 1.316 -0.059 -8.554 1.00 0.00 C ATOM 572 C GLN A 41 1.014 -0.883 -7.282 1.00 0.00 C ATOM 573 O GLN A 41 0.270 -0.448 -6.431 1.00 0.00 O ATOM 574 CB GLN A 41 2.684 0.659 -8.485 1.00 0.00 C ATOM 575 CG GLN A 41 3.737 -0.188 -7.758 1.00 0.00 C ATOM 576 CD GLN A 41 3.697 0.081 -6.246 1.00 0.00 C ATOM 577 OE1 GLN A 41 4.603 -0.308 -5.536 1.00 0.00 O ATOM 578 NE2 GLN A 41 2.694 0.734 -5.710 1.00 0.00 N ATOM 0 H GLN A 41 -0.241 1.170 -7.793 1.00 0.00 H new ATOM 0 HA GLN A 41 1.343 -0.735 -9.409 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.030 0.880 -9.495 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.568 1.614 -7.972 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.556 -1.246 -7.950 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.729 0.042 -8.148 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.929 1.065 -6.297 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.679 0.911 -4.706 1.00 0.00 H new ATOM 587 N TYR A 42 1.547 -2.069 -7.150 1.00 0.00 N ATOM 588 CA TYR A 42 1.239 -2.889 -5.933 1.00 0.00 C ATOM 589 C TYR A 42 2.507 -3.613 -5.453 1.00 0.00 C ATOM 590 O TYR A 42 2.783 -3.679 -4.268 1.00 0.00 O ATOM 591 CB TYR A 42 0.161 -3.919 -6.296 1.00 0.00 C ATOM 592 CG TYR A 42 -0.741 -4.198 -5.110 1.00 0.00 C ATOM 593 CD1 TYR A 42 -1.722 -3.269 -4.740 1.00 0.00 C ATOM 594 CD2 TYR A 42 -0.614 -5.398 -4.395 1.00 0.00 C ATOM 595 CE1 TYR A 42 -2.573 -3.539 -3.659 1.00 0.00 C ATOM 596 CE2 TYR A 42 -1.464 -5.662 -3.312 1.00 0.00 C ATOM 597 CZ TYR A 42 -2.439 -4.736 -2.946 1.00 0.00 C ATOM 598 OH TYR A 42 -3.273 -5.010 -1.883 1.00 0.00 O ATOM 0 H TYR A 42 2.177 -2.505 -7.823 1.00 0.00 H new ATOM 0 HA TYR A 42 0.882 -2.241 -5.132 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.434 -3.550 -7.132 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.633 -4.845 -6.625 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.823 -2.344 -5.288 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.139 -6.119 -4.679 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.331 -2.824 -3.377 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.363 -6.585 -2.760 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.912 -4.276 -1.771 1.00 0.00 H new ATOM 608 N ASN A 43 3.268 -4.156 -6.376 1.00 0.00 N ATOM 609 CA ASN A 43 4.531 -4.894 -6.033 1.00 0.00 C ATOM 610 C ASN A 43 4.198 -6.372 -5.748 1.00 0.00 C ATOM 611 O ASN A 43 3.047 -6.760 -5.712 1.00 0.00 O ATOM 612 CB ASN A 43 5.278 -4.198 -4.863 1.00 0.00 C ATOM 613 CG ASN A 43 5.089 -4.923 -3.523 1.00 0.00 C ATOM 614 OD1 ASN A 43 4.043 -5.479 -3.251 1.00 0.00 O ATOM 615 ND2 ASN A 43 6.075 -4.928 -2.669 1.00 0.00 N ATOM 0 H ASN A 43 3.063 -4.118 -7.374 1.00 0.00 H new ATOM 0 HA ASN A 43 5.217 -4.871 -6.880 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.341 -4.146 -5.096 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.922 -3.172 -4.769 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.969 -5.399 -1.771 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.952 -4.461 -2.900 1.00 0.00 H new ATOM 622 N ALA A 44 5.196 -7.206 -5.596 1.00 0.00 N ATOM 623 CA ALA A 44 4.929 -8.661 -5.375 1.00 0.00 C ATOM 624 C ALA A 44 4.947 -9.046 -3.889 1.00 0.00 C ATOM 625 O ALA A 44 4.500 -10.114 -3.532 1.00 0.00 O ATOM 626 CB ALA A 44 5.992 -9.476 -6.111 1.00 0.00 C ATOM 0 H ALA A 44 6.182 -6.944 -5.615 1.00 0.00 H new ATOM 0 HA ALA A 44 3.930 -8.874 -5.757 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.807 -10.539 -5.957 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.950 -9.251 -7.177 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.979 -9.220 -5.725 1.00 0.00 H new ATOM 632 N ALA A 45 5.467 -8.224 -3.019 1.00 0.00 N ATOM 633 CA ALA A 45 5.501 -8.621 -1.575 1.00 0.00 C ATOM 634 C ALA A 45 4.083 -8.888 -1.069 1.00 0.00 C ATOM 635 O ALA A 45 3.733 -10.006 -0.751 1.00 0.00 O ATOM 636 CB ALA A 45 6.144 -7.514 -0.740 1.00 0.00 C ATOM 0 H ALA A 45 5.864 -7.310 -3.236 1.00 0.00 H new ATOM 0 HA ALA A 45 6.093 -9.531 -1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.163 -7.813 0.308 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.163 -7.342 -1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.565 -6.596 -0.845 1.00 0.00 H new ATOM 642 N GLU A 46 3.266 -7.878 -0.983 1.00 0.00 N ATOM 643 CA GLU A 46 1.872 -8.092 -0.497 1.00 0.00 C ATOM 644 C GLU A 46 1.139 -8.997 -1.476 1.00 0.00 C ATOM 645 O GLU A 46 0.455 -9.924 -1.098 1.00 0.00 O ATOM 646 CB GLU A 46 1.141 -6.755 -0.415 1.00 0.00 C ATOM 647 CG GLU A 46 1.232 -6.021 -1.756 1.00 0.00 C ATOM 648 CD GLU A 46 0.763 -4.576 -1.581 1.00 0.00 C ATOM 649 OE1 GLU A 46 1.551 -3.685 -1.852 1.00 0.00 O ATOM 650 OE2 GLU A 46 -0.521 -4.372 -1.122 1.00 0.00 O ATOM 0 H GLU A 46 3.500 -6.916 -1.227 1.00 0.00 H new ATOM 0 HA GLU A 46 1.900 -8.551 0.491 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.096 -6.919 -0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.576 -6.142 0.374 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.258 -6.039 -2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.617 -6.526 -2.501 1.00 0.00 H new ATOM 658 N GLY A 47 1.288 -8.727 -2.734 1.00 0.00 N ATOM 659 CA GLY A 47 0.618 -9.559 -3.773 1.00 0.00 C ATOM 660 C GLY A 47 1.114 -11.008 -3.681 1.00 0.00 C ATOM 661 O GLY A 47 0.538 -11.899 -4.263 1.00 0.00 O ATOM 0 H GLY A 47 1.851 -7.958 -3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.463 -9.526 -3.636 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.827 -9.156 -4.764 1.00 0.00 H new ATOM 665 N ASP A 48 2.184 -11.259 -2.968 1.00 0.00 N ATOM 666 CA ASP A 48 2.686 -12.662 -2.859 1.00 0.00 C ATOM 667 C ASP A 48 1.971 -13.354 -1.692 1.00 0.00 C ATOM 668 O ASP A 48 1.718 -14.542 -1.721 1.00 0.00 O ATOM 669 CB ASP A 48 4.200 -12.653 -2.609 1.00 0.00 C ATOM 670 CG ASP A 48 4.695 -14.079 -2.351 1.00 0.00 C ATOM 671 OD1 ASP A 48 4.316 -14.962 -3.104 1.00 0.00 O ATOM 672 OD2 ASP A 48 5.445 -14.263 -1.407 1.00 0.00 O ATOM 0 H ASP A 48 2.727 -10.560 -2.461 1.00 0.00 H new ATOM 0 HA ASP A 48 2.485 -13.200 -3.786 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.717 -12.230 -3.470 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.432 -12.018 -1.754 1.00 0.00 H new ATOM 677 N ILE A 49 1.642 -12.614 -0.668 1.00 0.00 N ATOM 678 CA ILE A 49 0.942 -13.213 0.501 1.00 0.00 C ATOM 679 C ILE A 49 -0.512 -13.505 0.108 1.00 0.00 C ATOM 680 O ILE A 49 -1.038 -14.574 0.344 1.00 0.00 O ATOM 681 CB ILE A 49 1.034 -12.214 1.673 1.00 0.00 C ATOM 682 CG1 ILE A 49 1.872 -12.831 2.795 1.00 0.00 C ATOM 683 CG2 ILE A 49 -0.344 -11.827 2.237 1.00 0.00 C ATOM 684 CD1 ILE A 49 3.278 -12.231 2.776 1.00 0.00 C ATOM 0 H ILE A 49 1.830 -11.614 -0.592 1.00 0.00 H new ATOM 0 HA ILE A 49 1.399 -14.153 0.809 1.00 0.00 H new ATOM 0 HB ILE A 49 1.497 -11.306 1.287 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.400 -12.645 3.760 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.926 -13.912 2.670 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.216 -11.122 3.059 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.942 -11.364 1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.852 -12.720 2.601 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.873 -12.672 3.576 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.750 -12.440 1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.215 -11.153 2.923 1.00 0.00 H new ATOM 696 N THR A 50 -1.153 -12.539 -0.478 1.00 0.00 N ATOM 697 CA THR A 50 -2.585 -12.720 -0.888 1.00 0.00 C ATOM 698 C THR A 50 -2.669 -13.156 -2.356 1.00 0.00 C ATOM 699 O THR A 50 -3.590 -13.845 -2.749 1.00 0.00 O ATOM 700 CB THR A 50 -3.392 -11.414 -0.688 1.00 0.00 C ATOM 701 OG1 THR A 50 -4.442 -11.354 -1.647 1.00 0.00 O ATOM 702 CG2 THR A 50 -2.496 -10.176 -0.851 1.00 0.00 C ATOM 0 H THR A 50 -0.754 -11.626 -0.695 1.00 0.00 H new ATOM 0 HA THR A 50 -3.017 -13.496 -0.255 1.00 0.00 H new ATOM 0 HB THR A 50 -3.800 -11.419 0.323 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.112 -10.930 -2.467 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.091 -9.274 -0.705 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.696 -10.206 -0.112 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.065 -10.168 -1.852 1.00 0.00 H new ATOM 710 N GLY A 51 -1.730 -12.766 -3.169 1.00 0.00 N ATOM 711 CA GLY A 51 -1.782 -13.168 -4.602 1.00 0.00 C ATOM 712 C GLY A 51 -2.312 -12.013 -5.469 1.00 0.00 C ATOM 713 O GLY A 51 -2.396 -12.128 -6.676 1.00 0.00 O ATOM 0 H GLY A 51 -0.931 -12.189 -2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.787 -13.457 -4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.424 -14.041 -4.717 1.00 0.00 H new ATOM 717 N ARG A 52 -2.682 -10.909 -4.870 1.00 0.00 N ATOM 718 CA ARG A 52 -3.221 -9.760 -5.662 1.00 0.00 C ATOM 719 C ARG A 52 -2.333 -9.462 -6.870 1.00 0.00 C ATOM 720 O ARG A 52 -2.781 -9.475 -8.000 1.00 0.00 O ATOM 721 CB ARG A 52 -3.291 -8.515 -4.771 1.00 0.00 C ATOM 722 CG ARG A 52 -4.656 -8.482 -4.097 1.00 0.00 C ATOM 723 CD ARG A 52 -4.510 -8.094 -2.635 1.00 0.00 C ATOM 724 NE ARG A 52 -5.352 -6.901 -2.322 1.00 0.00 N ATOM 725 CZ ARG A 52 -6.474 -7.053 -1.670 1.00 0.00 C ATOM 726 NH1 ARG A 52 -7.108 -8.189 -1.697 1.00 0.00 N ATOM 727 NH2 ARG A 52 -6.975 -6.061 -0.998 1.00 0.00 N ATOM 0 H ARG A 52 -2.634 -10.753 -3.863 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.216 -10.026 -6.018 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.499 -8.539 -4.022 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.140 -7.614 -5.366 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.304 -7.769 -4.607 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.132 -9.459 -4.176 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.804 -8.930 -2.000 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.465 -7.877 -2.413 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.052 -5.971 -2.616 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.730 -8.972 -2.231 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.983 -8.297 -1.184 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.493 -5.163 -0.979 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.851 -6.180 -0.489 1.00 0.00 H new ATOM 741 N ASP A 53 -1.086 -9.167 -6.643 1.00 0.00 N ATOM 742 CA ASP A 53 -0.180 -8.836 -7.778 1.00 0.00 C ATOM 743 C ASP A 53 -0.627 -7.493 -8.365 1.00 0.00 C ATOM 744 O ASP A 53 -1.781 -7.142 -8.254 1.00 0.00 O ATOM 745 CB ASP A 53 -0.258 -9.927 -8.850 1.00 0.00 C ATOM 746 CG ASP A 53 1.153 -10.413 -9.184 1.00 0.00 C ATOM 747 OD1 ASP A 53 1.795 -10.957 -8.301 1.00 0.00 O ATOM 748 OD2 ASP A 53 1.569 -10.231 -10.316 1.00 0.00 O ATOM 0 H ASP A 53 -0.653 -9.140 -5.720 1.00 0.00 H new ATOM 0 HA ASP A 53 0.851 -8.773 -7.430 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.866 -10.759 -8.494 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.742 -9.538 -9.746 1.00 0.00 H new ATOM 753 N PRO A 54 0.289 -6.763 -8.955 1.00 0.00 N ATOM 754 CA PRO A 54 -0.023 -5.444 -9.532 1.00 0.00 C ATOM 755 C PRO A 54 -0.731 -5.581 -10.885 1.00 0.00 C ATOM 756 O PRO A 54 -1.757 -4.976 -11.118 1.00 0.00 O ATOM 757 CB PRO A 54 1.352 -4.791 -9.701 1.00 0.00 C ATOM 758 CG PRO A 54 2.381 -5.946 -9.752 1.00 0.00 C ATOM 759 CD PRO A 54 1.705 -7.169 -9.105 1.00 0.00 C ATOM 0 HA PRO A 54 -0.698 -4.862 -8.905 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.390 -4.196 -10.614 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.566 -4.116 -8.872 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.670 -6.162 -10.781 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.291 -5.678 -9.215 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.801 -8.055 -9.732 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.155 -7.410 -8.142 1.00 0.00 H new ATOM 767 N LYS A 55 -0.188 -6.355 -11.781 1.00 0.00 N ATOM 768 CA LYS A 55 -0.828 -6.507 -13.119 1.00 0.00 C ATOM 769 C LYS A 55 -2.260 -7.024 -12.968 1.00 0.00 C ATOM 770 O LYS A 55 -3.064 -6.906 -13.871 1.00 0.00 O ATOM 771 CB LYS A 55 -0.015 -7.490 -13.963 1.00 0.00 C ATOM 772 CG LYS A 55 0.062 -8.840 -13.247 1.00 0.00 C ATOM 773 CD LYS A 55 0.556 -9.907 -14.225 1.00 0.00 C ATOM 774 CE LYS A 55 -0.336 -11.145 -14.126 1.00 0.00 C ATOM 775 NZ LYS A 55 0.056 -12.124 -15.179 1.00 0.00 N ATOM 0 H LYS A 55 0.670 -6.889 -11.646 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.855 -5.535 -13.611 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.477 -7.612 -14.943 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.988 -7.098 -14.130 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.737 -8.773 -12.393 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.919 -9.114 -12.858 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.542 -9.517 -15.243 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.589 -10.172 -13.999 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.240 -11.598 -13.139 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.382 -10.864 -14.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.550 -12.967 -15.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.057 -11.689 -16.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.049 -12.401 -15.043 1.00 0.00 H new ATOM 789 N GLN A 56 -2.593 -7.593 -11.842 1.00 0.00 N ATOM 790 CA GLN A 56 -3.981 -8.106 -11.662 1.00 0.00 C ATOM 791 C GLN A 56 -4.821 -7.055 -10.935 1.00 0.00 C ATOM 792 O GLN A 56 -5.949 -6.789 -11.298 1.00 0.00 O ATOM 793 CB GLN A 56 -3.953 -9.401 -10.848 1.00 0.00 C ATOM 794 CG GLN A 56 -5.013 -10.363 -11.389 1.00 0.00 C ATOM 795 CD GLN A 56 -4.689 -11.789 -10.939 1.00 0.00 C ATOM 796 OE1 GLN A 56 -5.411 -12.370 -10.154 1.00 0.00 O ATOM 797 NE2 GLN A 56 -3.624 -12.380 -11.407 1.00 0.00 N ATOM 0 H GLN A 56 -1.970 -7.724 -11.045 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.421 -8.310 -12.638 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.966 -9.859 -10.907 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.143 -9.187 -9.796 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.000 -10.073 -11.029 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.043 -10.312 -12.477 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.018 -11.892 -12.066 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.398 -13.330 -11.114 1.00 0.00 H new ATOM 806 N VAL A 57 -4.276 -6.445 -9.920 1.00 0.00 N ATOM 807 CA VAL A 57 -5.041 -5.400 -9.183 1.00 0.00 C ATOM 808 C VAL A 57 -4.933 -4.069 -9.921 1.00 0.00 C ATOM 809 O VAL A 57 -5.420 -3.058 -9.458 1.00 0.00 O ATOM 810 CB VAL A 57 -4.468 -5.237 -7.779 1.00 0.00 C ATOM 811 CG1 VAL A 57 -4.565 -6.570 -7.046 1.00 0.00 C ATOM 812 CG2 VAL A 57 -3.002 -4.795 -7.872 1.00 0.00 C ATOM 0 H VAL A 57 -3.335 -6.624 -9.569 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.086 -5.703 -9.120 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.032 -4.480 -7.233 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.157 -6.463 -6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.609 -6.876 -6.983 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.998 -7.326 -7.589 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.593 -4.679 -6.868 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.429 -5.548 -8.413 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.942 -3.844 -8.401 1.00 0.00 H new ATOM 822 N ILE A 58 -4.299 -4.050 -11.062 1.00 0.00 N ATOM 823 CA ILE A 58 -4.177 -2.778 -11.805 1.00 0.00 C ATOM 824 C ILE A 58 -5.558 -2.406 -12.340 1.00 0.00 C ATOM 825 O ILE A 58 -6.206 -3.172 -13.025 1.00 0.00 O ATOM 826 CB ILE A 58 -3.123 -2.947 -12.922 1.00 0.00 C ATOM 827 CG1 ILE A 58 -1.815 -2.353 -12.412 1.00 0.00 C ATOM 828 CG2 ILE A 58 -3.531 -2.225 -14.218 1.00 0.00 C ATOM 829 CD1 ILE A 58 -0.645 -2.903 -13.230 1.00 0.00 C ATOM 0 H ILE A 58 -3.864 -4.860 -11.505 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.835 -1.964 -11.165 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.025 -4.007 -13.158 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.844 -1.266 -12.487 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.681 -2.596 -11.358 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.760 -2.372 -14.974 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.476 -2.632 -14.579 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.647 -1.159 -14.020 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.288 -2.476 -12.863 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.611 -3.988 -13.132 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.777 -2.637 -14.279 1.00 0.00 H new ATOM 841 N GLY A 59 -6.015 -1.242 -11.995 1.00 0.00 N ATOM 842 CA GLY A 59 -7.369 -0.808 -12.437 1.00 0.00 C ATOM 843 C GLY A 59 -8.365 -1.119 -11.317 1.00 0.00 C ATOM 844 O GLY A 59 -9.418 -0.520 -11.222 1.00 0.00 O ATOM 0 H GLY A 59 -5.509 -0.566 -11.423 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.371 0.259 -12.661 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.654 -1.327 -13.353 1.00 0.00 H new ATOM 848 N LYS A 60 -8.031 -2.052 -10.461 1.00 0.00 N ATOM 849 CA LYS A 60 -8.942 -2.406 -9.338 1.00 0.00 C ATOM 850 C LYS A 60 -8.785 -1.377 -8.218 1.00 0.00 C ATOM 851 O LYS A 60 -7.688 -1.073 -7.791 1.00 0.00 O ATOM 852 CB LYS A 60 -8.576 -3.791 -8.788 1.00 0.00 C ATOM 853 CG LYS A 60 -8.387 -4.782 -9.941 1.00 0.00 C ATOM 854 CD LYS A 60 -9.729 -5.023 -10.634 1.00 0.00 C ATOM 855 CE LYS A 60 -9.542 -4.952 -12.150 1.00 0.00 C ATOM 856 NZ LYS A 60 -10.699 -4.234 -12.757 1.00 0.00 N ATOM 0 H LYS A 60 -7.162 -2.584 -10.495 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.970 -2.415 -9.701 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.661 -3.727 -8.199 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.361 -4.144 -8.119 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.662 -4.391 -10.655 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.987 -5.723 -9.564 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.126 -5.998 -10.351 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.456 -4.277 -10.311 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.613 -4.435 -12.389 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.464 -5.957 -12.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.574 -4.184 -13.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.578 -4.745 -12.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.753 -3.271 -12.368 1.00 0.00 H new ATOM 870 N ASN A 61 -9.869 -0.848 -7.727 1.00 0.00 N ATOM 871 CA ASN A 61 -9.769 0.144 -6.623 1.00 0.00 C ATOM 872 C ASN A 61 -9.278 -0.575 -5.365 1.00 0.00 C ATOM 873 O ASN A 61 -9.849 -1.559 -4.941 1.00 0.00 O ATOM 874 CB ASN A 61 -11.146 0.756 -6.361 1.00 0.00 C ATOM 875 CG ASN A 61 -11.067 2.276 -6.517 1.00 0.00 C ATOM 876 OD1 ASN A 61 -11.128 3.002 -5.545 1.00 0.00 O ATOM 877 ND2 ASN A 61 -10.934 2.790 -7.709 1.00 0.00 N ATOM 0 H ASN A 61 -10.816 -1.058 -8.041 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.073 0.938 -6.894 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.877 0.346 -7.058 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.485 0.500 -5.357 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.881 3.802 -7.825 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.883 2.180 -8.525 1.00 0.00 H new ATOM 884 N PHE A 62 -8.220 -0.105 -4.766 1.00 0.00 N ATOM 885 CA PHE A 62 -7.705 -0.784 -3.541 1.00 0.00 C ATOM 886 C PHE A 62 -8.644 -0.529 -2.359 1.00 0.00 C ATOM 887 O PHE A 62 -8.448 -1.066 -1.286 1.00 0.00 O ATOM 888 CB PHE A 62 -6.313 -0.250 -3.195 1.00 0.00 C ATOM 889 CG PHE A 62 -5.851 -0.883 -1.901 1.00 0.00 C ATOM 890 CD1 PHE A 62 -5.391 -2.204 -1.894 1.00 0.00 C ATOM 891 CD2 PHE A 62 -5.907 -0.153 -0.708 1.00 0.00 C ATOM 892 CE1 PHE A 62 -4.984 -2.796 -0.693 1.00 0.00 C ATOM 893 CE2 PHE A 62 -5.493 -0.742 0.490 1.00 0.00 C ATOM 894 CZ PHE A 62 -5.031 -2.064 0.497 1.00 0.00 C ATOM 0 H PHE A 62 -7.692 0.714 -5.067 1.00 0.00 H new ATOM 0 HA PHE A 62 -7.651 -1.855 -3.737 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.612 -0.479 -3.998 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.340 0.835 -3.095 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.350 -2.767 -2.815 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.270 0.864 -0.713 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.634 -3.818 -0.686 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.529 -0.178 1.410 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.711 -2.519 1.423 1.00 0.00 H new ATOM 904 N PHE A 63 -9.635 0.297 -2.522 1.00 0.00 N ATOM 905 CA PHE A 63 -10.532 0.580 -1.372 1.00 0.00 C ATOM 906 C PHE A 63 -11.792 -0.292 -1.413 1.00 0.00 C ATOM 907 O PHE A 63 -12.242 -0.779 -0.394 1.00 0.00 O ATOM 908 CB PHE A 63 -10.918 2.053 -1.395 1.00 0.00 C ATOM 909 CG PHE A 63 -9.725 2.856 -0.949 1.00 0.00 C ATOM 910 CD1 PHE A 63 -9.123 2.576 0.281 1.00 0.00 C ATOM 911 CD2 PHE A 63 -9.215 3.866 -1.767 1.00 0.00 C ATOM 912 CE1 PHE A 63 -8.008 3.310 0.697 1.00 0.00 C ATOM 913 CE2 PHE A 63 -8.099 4.604 -1.352 1.00 0.00 C ATOM 914 CZ PHE A 63 -7.496 4.323 -0.118 1.00 0.00 C ATOM 0 H PHE A 63 -9.861 0.783 -3.390 1.00 0.00 H new ATOM 0 HA PHE A 63 -9.999 0.345 -0.450 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -11.224 2.351 -2.398 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.767 2.234 -0.736 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.519 1.793 0.910 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.680 4.078 -2.718 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.543 3.094 1.648 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.704 5.388 -1.981 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.635 4.890 0.203 1.00 0.00 H new ATOM 924 N LYS A 64 -12.386 -0.481 -2.562 1.00 0.00 N ATOM 925 CA LYS A 64 -13.631 -1.308 -2.612 1.00 0.00 C ATOM 926 C LYS A 64 -13.536 -2.404 -3.681 1.00 0.00 C ATOM 927 O LYS A 64 -14.325 -3.328 -3.694 1.00 0.00 O ATOM 928 CB LYS A 64 -14.823 -0.400 -2.927 1.00 0.00 C ATOM 929 CG LYS A 64 -14.623 0.258 -4.295 1.00 0.00 C ATOM 930 CD LYS A 64 -15.962 0.323 -5.031 1.00 0.00 C ATOM 931 CE LYS A 64 -16.176 1.734 -5.580 1.00 0.00 C ATOM 932 NZ LYS A 64 -14.971 2.158 -6.348 1.00 0.00 N ATOM 0 H LYS A 64 -12.070 -0.106 -3.456 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.760 -1.789 -1.643 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.746 -0.980 -2.923 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.924 0.364 -2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.215 1.261 -4.172 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.901 -0.310 -4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.977 -0.401 -5.845 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -16.774 0.058 -4.354 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.056 1.756 -6.223 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.362 2.430 -4.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.261 2.760 -7.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.333 2.693 -5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.477 1.318 -6.711 1.00 0.00 H new ATOM 946 N ASP A 65 -12.601 -2.315 -4.585 1.00 0.00 N ATOM 947 CA ASP A 65 -12.502 -3.362 -5.645 1.00 0.00 C ATOM 948 C ASP A 65 -11.375 -4.353 -5.330 1.00 0.00 C ATOM 949 O ASP A 65 -11.164 -5.304 -6.055 1.00 0.00 O ATOM 950 CB ASP A 65 -12.227 -2.697 -6.995 1.00 0.00 C ATOM 951 CG ASP A 65 -13.156 -3.293 -8.055 1.00 0.00 C ATOM 952 OD1 ASP A 65 -14.303 -2.881 -8.109 1.00 0.00 O ATOM 953 OD2 ASP A 65 -12.704 -4.151 -8.796 1.00 0.00 O ATOM 0 H ASP A 65 -11.906 -1.570 -4.638 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.446 -3.907 -5.682 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.385 -1.621 -6.921 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.186 -2.848 -7.282 1.00 0.00 H new ATOM 958 N VAL A 66 -10.646 -4.151 -4.264 1.00 0.00 N ATOM 959 CA VAL A 66 -9.548 -5.092 -3.933 1.00 0.00 C ATOM 960 C VAL A 66 -9.664 -5.472 -2.464 1.00 0.00 C ATOM 961 O VAL A 66 -9.591 -6.626 -2.089 1.00 0.00 O ATOM 962 CB VAL A 66 -8.218 -4.381 -4.141 1.00 0.00 C ATOM 963 CG1 VAL A 66 -7.071 -5.344 -3.896 1.00 0.00 C ATOM 964 CG2 VAL A 66 -8.119 -3.841 -5.560 1.00 0.00 C ATOM 0 H VAL A 66 -10.767 -3.375 -3.613 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.608 -5.979 -4.564 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.159 -3.552 -3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.123 -4.827 -4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.122 -5.718 -2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.143 -6.180 -4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.162 -3.336 -5.691 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.194 -4.665 -6.269 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.930 -3.134 -5.738 1.00 0.00 H new ATOM 974 N ALA A 67 -9.830 -4.487 -1.633 1.00 0.00 N ATOM 975 CA ALA A 67 -9.939 -4.730 -0.175 1.00 0.00 C ATOM 976 C ALA A 67 -11.196 -4.015 0.355 1.00 0.00 C ATOM 977 O ALA A 67 -11.202 -2.803 0.456 1.00 0.00 O ATOM 978 CB ALA A 67 -8.698 -4.135 0.491 1.00 0.00 C ATOM 0 H ALA A 67 -9.896 -3.507 -1.909 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.011 -5.796 0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.749 -4.298 1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.805 -4.617 0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.654 -3.065 0.288 1.00 0.00 H new ATOM 984 N PRO A 68 -12.232 -4.767 0.675 1.00 0.00 N ATOM 985 CA PRO A 68 -13.492 -4.182 1.177 1.00 0.00 C ATOM 986 C PRO A 68 -13.357 -3.708 2.631 1.00 0.00 C ATOM 987 O PRO A 68 -14.304 -3.229 3.222 1.00 0.00 O ATOM 988 CB PRO A 68 -14.499 -5.329 1.055 1.00 0.00 C ATOM 989 CG PRO A 68 -13.675 -6.636 1.023 1.00 0.00 C ATOM 990 CD PRO A 68 -12.251 -6.247 0.582 1.00 0.00 C ATOM 0 HA PRO A 68 -13.792 -3.296 0.618 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -15.192 -5.328 1.896 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -15.097 -5.225 0.150 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.661 -7.109 2.005 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.113 -7.354 0.329 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.497 -6.696 1.229 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -12.042 -6.585 -0.433 1.00 0.00 H new ATOM 998 N CYS A 69 -12.193 -3.824 3.212 1.00 0.00 N ATOM 999 CA CYS A 69 -12.017 -3.365 4.617 1.00 0.00 C ATOM 1000 C CYS A 69 -11.369 -1.977 4.617 1.00 0.00 C ATOM 1001 O CYS A 69 -11.546 -1.193 5.529 1.00 0.00 O ATOM 1002 CB CYS A 69 -11.113 -4.353 5.366 1.00 0.00 C ATOM 1003 SG CYS A 69 -9.425 -4.265 4.710 1.00 0.00 S ATOM 0 H CYS A 69 -11.359 -4.216 2.774 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.987 -3.315 5.112 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -11.111 -4.122 6.431 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -11.501 -5.366 5.261 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.626 -3.808 5.628 1.00 0.00 H new ATOM 1008 N THR A 70 -10.604 -1.677 3.600 1.00 0.00 N ATOM 1009 CA THR A 70 -9.928 -0.353 3.544 1.00 0.00 C ATOM 1010 C THR A 70 -10.953 0.745 3.253 1.00 0.00 C ATOM 1011 O THR A 70 -10.637 1.915 3.282 1.00 0.00 O ATOM 1012 CB THR A 70 -8.854 -0.369 2.454 1.00 0.00 C ATOM 1013 OG1 THR A 70 -9.394 -0.922 1.263 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.674 -1.219 2.923 1.00 0.00 C ATOM 0 H THR A 70 -10.420 -2.293 2.808 1.00 0.00 H new ATOM 0 HA THR A 70 -9.458 -0.150 4.506 1.00 0.00 H new ATOM 0 HB THR A 70 -8.517 0.649 2.258 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.738 -0.843 0.539 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.906 -1.234 2.150 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.260 -0.794 3.837 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.013 -2.237 3.117 1.00 0.00 H new ATOM 1022 N ASP A 71 -12.182 0.385 2.985 1.00 0.00 N ATOM 1023 CA ASP A 71 -13.212 1.424 2.715 1.00 0.00 C ATOM 1024 C ASP A 71 -13.868 1.821 4.038 1.00 0.00 C ATOM 1025 O ASP A 71 -15.075 1.820 4.175 1.00 0.00 O ATOM 1026 CB ASP A 71 -14.270 0.869 1.759 1.00 0.00 C ATOM 1027 CG ASP A 71 -14.818 -0.450 2.311 1.00 0.00 C ATOM 1028 OD1 ASP A 71 -14.651 -0.690 3.496 1.00 0.00 O ATOM 1029 OD2 ASP A 71 -15.396 -1.197 1.539 1.00 0.00 O ATOM 0 H ASP A 71 -12.513 -0.579 2.942 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.746 2.296 2.256 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.079 1.589 1.638 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.835 0.710 0.772 1.00 0.00 H new ATOM 1034 N SER A 72 -13.069 2.158 5.011 1.00 0.00 N ATOM 1035 CA SER A 72 -13.616 2.557 6.338 1.00 0.00 C ATOM 1036 C SER A 72 -12.999 3.903 6.745 1.00 0.00 C ATOM 1037 O SER A 72 -12.194 4.442 6.013 1.00 0.00 O ATOM 1038 CB SER A 72 -13.258 1.488 7.372 1.00 0.00 C ATOM 1039 OG SER A 72 -14.452 0.965 7.937 1.00 0.00 O ATOM 0 H SER A 72 -12.051 2.174 4.943 1.00 0.00 H new ATOM 0 HA SER A 72 -14.700 2.654 6.284 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.684 0.689 6.903 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.629 1.916 8.153 1.00 0.00 H new ATOM 0 HG SER A 72 -14.227 0.278 8.599 1.00 0.00 H new ATOM 1045 N PRO A 73 -13.395 4.419 7.893 1.00 0.00 N ATOM 1046 CA PRO A 73 -12.885 5.712 8.389 1.00 0.00 C ATOM 1047 C PRO A 73 -11.480 5.567 8.994 1.00 0.00 C ATOM 1048 O PRO A 73 -10.894 6.529 9.448 1.00 0.00 O ATOM 1049 CB PRO A 73 -13.903 6.114 9.460 1.00 0.00 C ATOM 1050 CG PRO A 73 -14.599 4.810 9.917 1.00 0.00 C ATOM 1051 CD PRO A 73 -14.379 3.775 8.799 1.00 0.00 C ATOM 0 HA PRO A 73 -12.784 6.453 7.596 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.410 6.605 10.299 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.629 6.821 9.059 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.179 4.457 10.859 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.663 4.978 10.085 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.998 2.835 9.197 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.309 3.547 8.279 1.00 0.00 H new ATOM 1059 N GLU A 74 -10.929 4.382 9.003 1.00 0.00 N ATOM 1060 CA GLU A 74 -9.569 4.203 9.575 1.00 0.00 C ATOM 1061 C GLU A 74 -8.569 3.957 8.444 1.00 0.00 C ATOM 1062 O GLU A 74 -7.404 4.280 8.547 1.00 0.00 O ATOM 1063 CB GLU A 74 -9.556 3.007 10.520 1.00 0.00 C ATOM 1064 CG GLU A 74 -10.767 3.067 11.456 1.00 0.00 C ATOM 1065 CD GLU A 74 -10.515 4.106 12.551 1.00 0.00 C ATOM 1066 OE1 GLU A 74 -9.850 3.771 13.516 1.00 0.00 O ATOM 1067 OE2 GLU A 74 -10.993 5.219 12.405 1.00 0.00 O ATOM 0 H GLU A 74 -11.363 3.534 8.639 1.00 0.00 H new ATOM 0 HA GLU A 74 -9.293 5.103 10.125 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.574 2.080 9.947 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.635 3.003 11.103 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.663 3.327 10.892 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.944 2.088 11.902 1.00 0.00 H new ATOM 1074 N PHE A 75 -9.023 3.396 7.363 1.00 0.00 N ATOM 1075 CA PHE A 75 -8.115 3.141 6.211 1.00 0.00 C ATOM 1076 C PHE A 75 -8.397 4.217 5.163 1.00 0.00 C ATOM 1077 O PHE A 75 -7.603 5.116 4.945 1.00 0.00 O ATOM 1078 CB PHE A 75 -8.394 1.750 5.633 1.00 0.00 C ATOM 1079 CG PHE A 75 -7.119 1.189 5.050 1.00 0.00 C ATOM 1080 CD1 PHE A 75 -6.566 1.770 3.905 1.00 0.00 C ATOM 1081 CD2 PHE A 75 -6.488 0.093 5.654 1.00 0.00 C ATOM 1082 CE1 PHE A 75 -5.382 1.261 3.362 1.00 0.00 C ATOM 1083 CE2 PHE A 75 -5.300 -0.416 5.110 1.00 0.00 C ATOM 1084 CZ PHE A 75 -4.748 0.169 3.964 1.00 0.00 C ATOM 0 H PHE A 75 -9.989 3.101 7.225 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.070 3.176 6.520 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.773 1.089 6.412 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.164 1.811 4.864 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.054 2.613 3.439 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.916 -0.359 6.537 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.957 1.711 2.477 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.811 -1.259 5.575 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.833 -0.223 3.545 1.00 0.00 H new ATOM 1094 N TYR A 76 -9.548 4.167 4.546 1.00 0.00 N ATOM 1095 CA TYR A 76 -9.891 5.223 3.559 1.00 0.00 C ATOM 1096 C TYR A 76 -10.120 6.528 4.324 1.00 0.00 C ATOM 1097 O TYR A 76 -10.092 7.594 3.758 1.00 0.00 O ATOM 1098 CB TYR A 76 -11.166 4.846 2.798 1.00 0.00 C ATOM 1099 CG TYR A 76 -11.366 5.796 1.639 1.00 0.00 C ATOM 1100 CD1 TYR A 76 -10.355 5.956 0.684 1.00 0.00 C ATOM 1101 CD2 TYR A 76 -12.562 6.513 1.515 1.00 0.00 C ATOM 1102 CE1 TYR A 76 -10.537 6.831 -0.395 1.00 0.00 C ATOM 1103 CE2 TYR A 76 -12.746 7.387 0.436 1.00 0.00 C ATOM 1104 CZ TYR A 76 -11.734 7.546 -0.518 1.00 0.00 C ATOM 1105 OH TYR A 76 -11.916 8.408 -1.581 1.00 0.00 O ATOM 0 H TYR A 76 -10.257 3.447 4.683 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.081 5.335 2.839 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.094 3.821 2.433 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -12.026 4.886 3.467 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.432 5.403 0.779 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.343 6.392 2.251 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.755 6.954 -1.130 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.669 7.939 0.340 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.801 8.824 -1.517 1.00 0.00 H new ATOM 1115 N GLY A 77 -10.343 6.442 5.615 1.00 0.00 N ATOM 1116 CA GLY A 77 -10.559 7.668 6.435 1.00 0.00 C ATOM 1117 C GLY A 77 -9.302 8.530 6.411 1.00 0.00 C ATOM 1118 O GLY A 77 -9.314 9.657 5.957 1.00 0.00 O ATOM 0 H GLY A 77 -10.384 5.566 6.136 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.406 8.233 6.046 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.803 7.393 7.461 1.00 0.00 H new ATOM 1122 N LYS A 78 -8.215 8.007 6.911 1.00 0.00 N ATOM 1123 CA LYS A 78 -6.948 8.797 6.932 1.00 0.00 C ATOM 1124 C LYS A 78 -6.509 9.096 5.505 1.00 0.00 C ATOM 1125 O LYS A 78 -5.686 9.949 5.268 1.00 0.00 O ATOM 1126 CB LYS A 78 -5.857 8.013 7.674 1.00 0.00 C ATOM 1127 CG LYS A 78 -6.451 7.290 8.897 1.00 0.00 C ATOM 1128 CD LYS A 78 -7.541 8.147 9.561 1.00 0.00 C ATOM 1129 CE LYS A 78 -7.510 7.944 11.077 1.00 0.00 C ATOM 1130 NZ LYS A 78 -6.622 8.967 11.698 1.00 0.00 N ATOM 0 H LYS A 78 -8.148 7.069 7.305 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.116 9.739 7.454 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.401 7.287 7.001 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.066 8.692 7.994 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.871 6.332 8.590 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.662 7.075 9.617 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.384 9.199 9.323 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.520 7.874 9.168 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.517 8.025 11.486 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.150 6.943 11.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.601 8.829 12.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.660 8.869 11.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.985 9.918 11.483 1.00 0.00 H new ATOM 1144 N PHE A 79 -7.061 8.403 4.556 1.00 0.00 N ATOM 1145 CA PHE A 79 -6.708 8.650 3.145 1.00 0.00 C ATOM 1146 C PHE A 79 -7.510 9.846 2.651 1.00 0.00 C ATOM 1147 O PHE A 79 -7.038 10.641 1.880 1.00 0.00 O ATOM 1148 CB PHE A 79 -7.069 7.408 2.348 1.00 0.00 C ATOM 1149 CG PHE A 79 -6.970 7.651 0.856 1.00 0.00 C ATOM 1150 CD1 PHE A 79 -7.998 8.333 0.189 1.00 0.00 C ATOM 1151 CD2 PHE A 79 -5.873 7.164 0.132 1.00 0.00 C ATOM 1152 CE1 PHE A 79 -7.928 8.520 -1.198 1.00 0.00 C ATOM 1153 CE2 PHE A 79 -5.809 7.357 -1.247 1.00 0.00 C ATOM 1154 CZ PHE A 79 -6.834 8.028 -1.912 1.00 0.00 C ATOM 0 H PHE A 79 -7.751 7.667 4.704 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.645 8.861 3.031 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.405 6.590 2.628 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.083 7.096 2.599 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.843 8.714 0.744 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.078 6.640 0.642 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.719 9.044 -1.714 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.961 6.985 -1.803 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.782 8.168 -2.982 1.00 0.00 H new ATOM 1164 N LYS A 80 -8.712 9.992 3.118 1.00 0.00 N ATOM 1165 CA LYS A 80 -9.530 11.146 2.710 1.00 0.00 C ATOM 1166 C LYS A 80 -9.079 12.365 3.512 1.00 0.00 C ATOM 1167 O LYS A 80 -9.488 13.480 3.257 1.00 0.00 O ATOM 1168 CB LYS A 80 -10.999 10.861 3.010 1.00 0.00 C ATOM 1169 CG LYS A 80 -11.645 10.163 1.812 1.00 0.00 C ATOM 1170 CD LYS A 80 -13.004 10.802 1.521 1.00 0.00 C ATOM 1171 CE LYS A 80 -12.811 12.038 0.640 1.00 0.00 C ATOM 1172 NZ LYS A 80 -12.687 13.248 1.501 1.00 0.00 N ATOM 0 H LYS A 80 -9.163 9.352 3.772 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.411 11.330 1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.084 10.234 3.897 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.523 11.792 3.226 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.998 10.244 0.938 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.768 9.100 2.020 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.655 10.085 1.021 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.494 11.081 2.454 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.918 11.923 0.025 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.655 12.148 -0.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -12.992 14.087 0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.286 13.137 2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.696 13.366 1.794 1.00 0.00 H new ATOM 1186 N GLU A 81 -8.225 12.155 4.479 1.00 0.00 N ATOM 1187 CA GLU A 81 -7.729 13.294 5.298 1.00 0.00 C ATOM 1188 C GLU A 81 -6.399 13.739 4.715 1.00 0.00 C ATOM 1189 O GLU A 81 -6.123 14.913 4.562 1.00 0.00 O ATOM 1190 CB GLU A 81 -7.537 12.843 6.748 1.00 0.00 C ATOM 1191 CG GLU A 81 -8.785 12.092 7.218 1.00 0.00 C ATOM 1192 CD GLU A 81 -9.354 12.778 8.461 1.00 0.00 C ATOM 1193 OE1 GLU A 81 -9.401 13.997 8.471 1.00 0.00 O ATOM 1194 OE2 GLU A 81 -9.733 12.074 9.383 1.00 0.00 O ATOM 0 H GLU A 81 -7.850 11.242 4.735 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.445 14.116 5.284 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.661 12.199 6.827 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.357 13.707 7.388 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.532 12.075 6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.535 11.055 7.444 1.00 0.00 H new ATOM 1201 N GLY A 82 -5.584 12.790 4.367 1.00 0.00 N ATOM 1202 CA GLY A 82 -4.265 13.114 3.761 1.00 0.00 C ATOM 1203 C GLY A 82 -4.512 13.746 2.395 1.00 0.00 C ATOM 1204 O GLY A 82 -3.872 14.704 2.010 1.00 0.00 O ATOM 0 H GLY A 82 -5.775 11.794 4.477 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.710 13.799 4.402 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.661 12.212 3.659 1.00 0.00 H new ATOM 1208 N VAL A 83 -5.449 13.212 1.665 1.00 0.00 N ATOM 1209 CA VAL A 83 -5.768 13.768 0.320 1.00 0.00 C ATOM 1210 C VAL A 83 -6.254 15.212 0.466 1.00 0.00 C ATOM 1211 O VAL A 83 -5.924 16.072 -0.326 1.00 0.00 O ATOM 1212 CB VAL A 83 -6.874 12.925 -0.319 1.00 0.00 C ATOM 1213 CG1 VAL A 83 -7.251 13.508 -1.683 1.00 0.00 C ATOM 1214 CG2 VAL A 83 -6.375 11.492 -0.496 1.00 0.00 C ATOM 0 H VAL A 83 -6.012 12.408 1.943 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.876 13.747 -0.307 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.753 12.932 0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.039 12.903 -2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.607 14.531 -1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.377 13.506 -2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.159 10.887 -0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.496 11.490 -1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.113 11.075 0.477 1.00 0.00 H new ATOM 1224 N ALA A 84 -7.046 15.481 1.469 1.00 0.00 N ATOM 1225 CA ALA A 84 -7.566 16.866 1.662 1.00 0.00 C ATOM 1226 C ALA A 84 -6.595 17.688 2.520 1.00 0.00 C ATOM 1227 O ALA A 84 -6.791 18.870 2.723 1.00 0.00 O ATOM 1228 CB ALA A 84 -8.924 16.800 2.364 1.00 0.00 C ATOM 0 H ALA A 84 -7.356 14.801 2.164 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.669 17.344 0.688 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.309 17.810 2.508 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.622 16.229 1.752 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.809 16.314 3.333 1.00 0.00 H new ATOM 1234 N SER A 85 -5.554 17.083 3.028 1.00 0.00 N ATOM 1235 CA SER A 85 -4.593 17.849 3.871 1.00 0.00 C ATOM 1236 C SER A 85 -3.412 18.320 3.017 1.00 0.00 C ATOM 1237 O SER A 85 -2.764 19.299 3.326 1.00 0.00 O ATOM 1238 CB SER A 85 -4.082 16.954 4.999 1.00 0.00 C ATOM 1239 OG SER A 85 -3.362 17.744 5.937 1.00 0.00 O ATOM 0 H SER A 85 -5.329 16.097 2.896 1.00 0.00 H new ATOM 0 HA SER A 85 -5.098 18.718 4.293 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.918 16.457 5.491 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.439 16.172 4.595 1.00 0.00 H new ATOM 0 HG SER A 85 -2.442 17.866 5.623 1.00 0.00 H new ATOM 1245 N GLY A 86 -3.124 17.631 1.947 1.00 0.00 N ATOM 1246 CA GLY A 86 -1.982 18.045 1.081 1.00 0.00 C ATOM 1247 C GLY A 86 -0.687 17.436 1.621 1.00 0.00 C ATOM 1248 O GLY A 86 0.385 17.984 1.460 1.00 0.00 O ATOM 0 H GLY A 86 -3.628 16.801 1.635 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.151 17.716 0.056 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.904 19.132 1.059 1.00 0.00 H new ATOM 1252 N ASN A 87 -0.780 16.304 2.263 1.00 0.00 N ATOM 1253 CA ASN A 87 0.440 15.653 2.815 1.00 0.00 C ATOM 1254 C ASN A 87 0.043 14.339 3.490 1.00 0.00 C ATOM 1255 O ASN A 87 0.264 14.140 4.668 1.00 0.00 O ATOM 1256 CB ASN A 87 1.099 16.580 3.839 1.00 0.00 C ATOM 1257 CG ASN A 87 0.072 16.994 4.895 1.00 0.00 C ATOM 1258 OD1 ASN A 87 -0.727 17.881 4.668 1.00 0.00 O ATOM 1259 ND2 ASN A 87 0.061 16.386 6.049 1.00 0.00 N ATOM 0 H ASN A 87 -1.652 15.801 2.429 1.00 0.00 H new ATOM 0 HA ASN A 87 1.146 15.453 2.009 1.00 0.00 H new ATOM 0 HB2 ASN A 87 1.940 16.074 4.314 1.00 0.00 H new ATOM 0 HB3 ASN A 87 1.499 17.463 3.340 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -0.618 16.655 6.761 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.732 15.641 6.240 1.00 0.00 H new ATOM 1266 N LEU A 88 -0.550 13.443 2.749 1.00 0.00 N ATOM 1267 CA LEU A 88 -0.977 12.138 3.333 1.00 0.00 C ATOM 1268 C LEU A 88 0.170 11.510 4.126 1.00 0.00 C ATOM 1269 O LEU A 88 1.233 11.254 3.602 1.00 0.00 O ATOM 1270 CB LEU A 88 -1.395 11.193 2.205 1.00 0.00 C ATOM 1271 CG LEU A 88 -2.218 10.044 2.784 1.00 0.00 C ATOM 1272 CD1 LEU A 88 -3.231 9.566 1.743 1.00 0.00 C ATOM 1273 CD2 LEU A 88 -1.288 8.888 3.156 1.00 0.00 C ATOM 0 H LEU A 88 -0.759 13.559 1.757 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.818 12.307 4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.979 11.734 1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.513 10.803 1.697 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.746 10.388 3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.818 8.746 2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.894 10.389 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.704 9.222 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.875 8.068 3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.761 8.545 2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.565 9.227 3.898 1.00 0.00 H new ATOM 1285 N ASN A 89 -0.044 11.257 5.387 1.00 0.00 N ATOM 1286 CA ASN A 89 1.024 10.639 6.218 1.00 0.00 C ATOM 1287 C ASN A 89 0.391 10.021 7.464 1.00 0.00 C ATOM 1288 O ASN A 89 0.275 10.659 8.492 1.00 0.00 O ATOM 1289 CB ASN A 89 2.036 11.710 6.633 1.00 0.00 C ATOM 1290 CG ASN A 89 3.161 11.063 7.442 1.00 0.00 C ATOM 1291 OD1 ASN A 89 3.045 9.930 7.867 1.00 0.00 O ATOM 1292 ND2 ASN A 89 4.254 11.737 7.673 1.00 0.00 N ATOM 0 H ASN A 89 -0.916 11.453 5.879 1.00 0.00 H new ATOM 0 HA ASN A 89 1.536 9.867 5.644 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.445 12.201 5.750 1.00 0.00 H new ATOM 0 HB3 ASN A 89 1.544 12.480 7.227 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.011 11.313 8.210 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.352 12.688 7.317 1.00 0.00 H new ATOM 1299 N THR A 90 -0.030 8.788 7.384 1.00 0.00 N ATOM 1300 CA THR A 90 -0.664 8.153 8.574 1.00 0.00 C ATOM 1301 C THR A 90 -0.390 6.647 8.578 1.00 0.00 C ATOM 1302 O THR A 90 0.052 6.081 7.599 1.00 0.00 O ATOM 1303 CB THR A 90 -2.176 8.393 8.528 1.00 0.00 C ATOM 1304 OG1 THR A 90 -2.810 7.613 9.532 1.00 0.00 O ATOM 1305 CG2 THR A 90 -2.715 7.994 7.153 1.00 0.00 C ATOM 0 H THR A 90 0.037 8.198 6.555 1.00 0.00 H new ATOM 0 HA THR A 90 -0.245 8.593 9.479 1.00 0.00 H new ATOM 0 HB THR A 90 -2.382 9.449 8.705 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.696 7.985 9.725 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.791 8.165 7.120 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.229 8.594 6.384 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.510 6.939 6.974 1.00 0.00 H new ATOM 1313 N MET A 91 -0.656 5.998 9.678 1.00 0.00 N ATOM 1314 CA MET A 91 -0.423 4.529 9.763 1.00 0.00 C ATOM 1315 C MET A 91 -1.430 3.925 10.741 1.00 0.00 C ATOM 1316 O MET A 91 -2.087 4.632 11.480 1.00 0.00 O ATOM 1317 CB MET A 91 0.999 4.263 10.264 1.00 0.00 C ATOM 1318 CG MET A 91 1.242 5.050 11.554 1.00 0.00 C ATOM 1319 SD MET A 91 2.999 4.980 11.982 1.00 0.00 S ATOM 1320 CE MET A 91 2.790 4.663 13.752 1.00 0.00 C ATOM 0 H MET A 91 -1.027 6.425 10.527 1.00 0.00 H new ATOM 0 HA MET A 91 -0.546 4.078 8.778 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.139 3.197 10.444 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.724 4.556 9.505 1.00 0.00 H new ATOM 0 HG2 MET A 91 0.929 6.086 11.425 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.643 4.635 12.364 1.00 0.00 H new ATOM 0 HE1 MET A 91 3.769 4.582 14.225 1.00 0.00 H new ATOM 0 HE2 MET A 91 2.234 5.484 14.206 1.00 0.00 H new ATOM 0 HE3 MET A 91 2.241 3.732 13.893 1.00 0.00 H new ATOM 1330 N PHE A 92 -1.561 2.626 10.762 1.00 0.00 N ATOM 1331 CA PHE A 92 -2.535 2.003 11.711 1.00 0.00 C ATOM 1332 C PHE A 92 -2.444 0.481 11.630 1.00 0.00 C ATOM 1333 O PHE A 92 -2.065 -0.073 10.625 1.00 0.00 O ATOM 1334 CB PHE A 92 -3.960 2.448 11.366 1.00 0.00 C ATOM 1335 CG PHE A 92 -4.218 2.250 9.894 1.00 0.00 C ATOM 1336 CD1 PHE A 92 -4.390 0.961 9.375 1.00 0.00 C ATOM 1337 CD2 PHE A 92 -4.285 3.359 9.047 1.00 0.00 C ATOM 1338 CE1 PHE A 92 -4.625 0.784 8.007 1.00 0.00 C ATOM 1339 CE2 PHE A 92 -4.523 3.184 7.681 1.00 0.00 C ATOM 1340 CZ PHE A 92 -4.693 1.897 7.161 1.00 0.00 C ATOM 0 H PHE A 92 -1.044 1.974 10.172 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.292 2.325 12.724 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.680 1.876 11.950 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.097 3.497 11.630 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.341 0.104 10.030 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.153 4.353 9.448 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.754 -0.210 7.605 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.576 4.042 7.027 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.877 1.762 6.105 1.00 0.00 H new ATOM 1350 N GLU A 93 -2.795 -0.200 12.685 1.00 0.00 N ATOM 1351 CA GLU A 93 -2.731 -1.687 12.663 1.00 0.00 C ATOM 1352 C GLU A 93 -3.991 -2.234 11.990 1.00 0.00 C ATOM 1353 O GLU A 93 -5.093 -2.051 12.470 1.00 0.00 O ATOM 1354 CB GLU A 93 -2.639 -2.219 14.096 1.00 0.00 C ATOM 1355 CG GLU A 93 -3.893 -1.819 14.877 1.00 0.00 C ATOM 1356 CD GLU A 93 -4.820 -3.030 15.005 1.00 0.00 C ATOM 1357 OE1 GLU A 93 -4.316 -4.114 15.245 1.00 0.00 O ATOM 1358 OE2 GLU A 93 -6.018 -2.852 14.859 1.00 0.00 O ATOM 0 H GLU A 93 -3.123 0.209 13.560 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.851 -2.008 12.106 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.536 -3.304 14.085 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -1.751 -1.820 14.586 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.617 -1.452 15.866 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.408 -1.005 14.367 1.00 0.00 H new ATOM 1365 N TYR A 94 -3.840 -2.897 10.877 1.00 0.00 N ATOM 1366 CA TYR A 94 -5.031 -3.445 10.174 1.00 0.00 C ATOM 1367 C TYR A 94 -4.912 -4.964 10.064 1.00 0.00 C ATOM 1368 O TYR A 94 -3.913 -5.549 10.433 1.00 0.00 O ATOM 1369 CB TYR A 94 -5.115 -2.841 8.771 1.00 0.00 C ATOM 1370 CG TYR A 94 -6.488 -2.253 8.554 1.00 0.00 C ATOM 1371 CD1 TYR A 94 -7.018 -1.348 9.482 1.00 0.00 C ATOM 1372 CD2 TYR A 94 -7.229 -2.609 7.422 1.00 0.00 C ATOM 1373 CE1 TYR A 94 -8.291 -0.801 9.278 1.00 0.00 C ATOM 1374 CE2 TYR A 94 -8.501 -2.062 7.218 1.00 0.00 C ATOM 1375 CZ TYR A 94 -9.032 -1.157 8.145 1.00 0.00 C ATOM 1376 OH TYR A 94 -10.286 -0.617 7.943 1.00 0.00 O ATOM 0 H TYR A 94 -2.944 -3.082 10.425 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.929 -3.193 10.737 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.355 -2.069 8.650 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.914 -3.607 8.022 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.445 -1.072 10.355 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.820 -3.306 6.706 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.701 -0.105 9.995 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.073 -2.338 6.345 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.621 -0.889 7.063 1.00 0.00 H new ATOM 1386 N THR A 95 -5.927 -5.603 9.555 1.00 0.00 N ATOM 1387 CA THR A 95 -5.888 -7.084 9.410 1.00 0.00 C ATOM 1388 C THR A 95 -6.543 -7.471 8.084 1.00 0.00 C ATOM 1389 O THR A 95 -7.735 -7.318 7.907 1.00 0.00 O ATOM 1390 CB THR A 95 -6.658 -7.730 10.566 1.00 0.00 C ATOM 1391 OG1 THR A 95 -6.132 -7.265 11.802 1.00 0.00 O ATOM 1392 CG2 THR A 95 -6.519 -9.251 10.491 1.00 0.00 C ATOM 0 H THR A 95 -6.787 -5.160 9.231 1.00 0.00 H new ATOM 0 HA THR A 95 -4.854 -7.430 9.427 1.00 0.00 H new ATOM 0 HB THR A 95 -7.712 -7.461 10.494 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.625 -7.676 12.543 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.068 -9.708 11.315 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.924 -9.607 9.544 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.466 -9.524 10.561 1.00 0.00 H new ATOM 1400 N PHE A 96 -5.781 -7.969 7.150 1.00 0.00 N ATOM 1401 CA PHE A 96 -6.385 -8.357 5.841 1.00 0.00 C ATOM 1402 C PHE A 96 -6.995 -9.753 5.963 1.00 0.00 C ATOM 1403 O PHE A 96 -6.330 -10.753 5.784 1.00 0.00 O ATOM 1404 CB PHE A 96 -5.314 -8.351 4.738 1.00 0.00 C ATOM 1405 CG PHE A 96 -4.766 -6.949 4.505 1.00 0.00 C ATOM 1406 CD1 PHE A 96 -5.397 -5.819 5.061 1.00 0.00 C ATOM 1407 CD2 PHE A 96 -3.617 -6.784 3.717 1.00 0.00 C ATOM 1408 CE1 PHE A 96 -4.879 -4.540 4.830 1.00 0.00 C ATOM 1409 CE2 PHE A 96 -3.102 -5.500 3.489 1.00 0.00 C ATOM 1410 CZ PHE A 96 -3.733 -4.379 4.045 1.00 0.00 C ATOM 0 H PHE A 96 -4.776 -8.124 7.233 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.161 -7.639 5.577 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -4.500 -9.020 5.015 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.741 -8.735 3.812 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.283 -5.940 5.667 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.129 -7.646 3.286 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.365 -3.676 5.259 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.217 -5.375 2.883 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.334 -3.391 3.867 1.00 0.00 H new ATOM 1420 N ASP A 97 -8.261 -9.826 6.266 1.00 0.00 N ATOM 1421 CA ASP A 97 -8.922 -11.151 6.400 1.00 0.00 C ATOM 1422 C ASP A 97 -9.981 -11.289 5.311 1.00 0.00 C ATOM 1423 O ASP A 97 -10.999 -11.927 5.492 1.00 0.00 O ATOM 1424 CB ASP A 97 -9.580 -11.257 7.778 1.00 0.00 C ATOM 1425 CG ASP A 97 -10.639 -10.161 7.925 1.00 0.00 C ATOM 1426 OD1 ASP A 97 -10.276 -9.064 8.315 1.00 0.00 O ATOM 1427 OD2 ASP A 97 -11.794 -10.438 7.645 1.00 0.00 O ATOM 0 H ASP A 97 -8.867 -9.022 6.427 1.00 0.00 H new ATOM 0 HA ASP A 97 -8.184 -11.946 6.296 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -10.038 -12.239 7.899 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -8.828 -11.158 8.560 1.00 0.00 H new ATOM 1432 N TYR A 98 -9.737 -10.706 4.173 1.00 0.00 N ATOM 1433 CA TYR A 98 -10.715 -10.811 3.060 1.00 0.00 C ATOM 1434 C TYR A 98 -10.532 -12.190 2.417 1.00 0.00 C ATOM 1435 O TYR A 98 -9.464 -12.748 2.518 1.00 0.00 O ATOM 1436 CB TYR A 98 -10.453 -9.667 2.047 1.00 0.00 C ATOM 1437 CG TYR A 98 -9.538 -10.120 0.923 1.00 0.00 C ATOM 1438 CD1 TYR A 98 -8.324 -10.755 1.216 1.00 0.00 C ATOM 1439 CD2 TYR A 98 -9.924 -9.924 -0.404 1.00 0.00 C ATOM 1440 CE1 TYR A 98 -7.494 -11.198 0.179 1.00 0.00 C ATOM 1441 CE2 TYR A 98 -9.096 -10.362 -1.444 1.00 0.00 C ATOM 1442 CZ TYR A 98 -7.881 -11.001 -1.154 1.00 0.00 C ATOM 1443 OH TYR A 98 -7.067 -11.435 -2.179 1.00 0.00 O ATOM 0 H TYR A 98 -8.900 -10.160 3.966 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.742 -10.712 3.411 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -11.400 -9.324 1.631 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.005 -8.818 2.563 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -8.028 -10.903 2.244 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.861 -9.435 -0.628 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -6.559 -11.690 0.405 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -9.393 -10.208 -2.471 1.00 0.00 H new ATOM 0 HH TYR A 98 -6.174 -11.632 -1.826 1.00 0.00 H new ATOM 1453 N GLN A 99 -11.562 -12.710 1.767 1.00 0.00 N ATOM 1454 CA GLN A 99 -11.522 -14.066 1.080 1.00 0.00 C ATOM 1455 C GLN A 99 -10.154 -14.746 1.209 1.00 0.00 C ATOM 1456 O GLN A 99 -9.433 -14.909 0.244 1.00 0.00 O ATOM 1457 CB GLN A 99 -11.846 -13.881 -0.404 1.00 0.00 C ATOM 1458 CG GLN A 99 -13.069 -12.973 -0.550 1.00 0.00 C ATOM 1459 CD GLN A 99 -13.948 -13.478 -1.695 1.00 0.00 C ATOM 1460 OE1 GLN A 99 -14.281 -14.645 -1.751 1.00 0.00 O ATOM 1461 NE2 GLN A 99 -14.342 -12.643 -2.618 1.00 0.00 N ATOM 0 H GLN A 99 -12.461 -12.236 1.680 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.257 -14.706 1.568 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -10.992 -13.445 -0.922 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.040 -14.848 -0.868 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -13.638 -12.959 0.380 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.753 -11.948 -0.745 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -14.063 -11.663 -2.572 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -14.929 -12.971 -3.385 1.00 0.00 H new ATOM 1470 N MET A 100 -9.782 -15.107 2.405 1.00 0.00 N ATOM 1471 CA MET A 100 -8.449 -15.734 2.612 1.00 0.00 C ATOM 1472 C MET A 100 -8.239 -16.019 4.105 1.00 0.00 C ATOM 1473 O MET A 100 -9.181 -16.185 4.854 1.00 0.00 O ATOM 1474 CB MET A 100 -7.366 -14.762 2.126 1.00 0.00 C ATOM 1475 CG MET A 100 -6.361 -15.517 1.255 1.00 0.00 C ATOM 1476 SD MET A 100 -5.414 -14.332 0.273 1.00 0.00 S ATOM 1477 CE MET A 100 -4.695 -13.418 1.659 1.00 0.00 C ATOM 0 H MET A 100 -10.345 -14.994 3.248 1.00 0.00 H new ATOM 0 HA MET A 100 -8.392 -16.669 2.056 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.819 -13.950 1.557 1.00 0.00 H new ATOM 0 HB3 MET A 100 -6.858 -14.310 2.978 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.691 -16.106 1.881 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.882 -16.215 0.600 1.00 0.00 H new ATOM 0 HE1 MET A 100 -3.638 -13.236 1.466 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.212 -12.465 1.774 1.00 0.00 H new ATOM 0 HE3 MET A 100 -4.801 -14.001 2.574 1.00 0.00 H new ATOM 1487 N THR A 101 -7.008 -16.070 4.543 1.00 0.00 N ATOM 1488 CA THR A 101 -6.734 -16.335 5.984 1.00 0.00 C ATOM 1489 C THR A 101 -6.626 -14.994 6.727 1.00 0.00 C ATOM 1490 O THR A 101 -6.706 -13.951 6.109 1.00 0.00 O ATOM 1491 CB THR A 101 -5.415 -17.105 6.123 1.00 0.00 C ATOM 1492 OG1 THR A 101 -4.816 -17.263 4.844 1.00 0.00 O ATOM 1493 CG2 THR A 101 -5.685 -18.481 6.733 1.00 0.00 C ATOM 0 H THR A 101 -6.180 -15.939 3.962 1.00 0.00 H new ATOM 0 HA THR A 101 -7.543 -16.929 6.409 1.00 0.00 H new ATOM 0 HB THR A 101 -4.740 -16.547 6.772 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.973 -17.754 4.936 1.00 0.00 H new ATOM 0 HG21 THR A 101 -4.746 -19.026 6.831 1.00 0.00 H new ATOM 0 HG22 THR A 101 -6.139 -18.360 7.717 1.00 0.00 H new ATOM 0 HG23 THR A 101 -6.363 -19.039 6.087 1.00 0.00 H new ATOM 1501 N PRO A 102 -6.447 -15.049 8.031 1.00 0.00 N ATOM 1502 CA PRO A 102 -6.328 -13.832 8.853 1.00 0.00 C ATOM 1503 C PRO A 102 -4.923 -13.238 8.718 1.00 0.00 C ATOM 1504 O PRO A 102 -3.963 -13.763 9.246 1.00 0.00 O ATOM 1505 CB PRO A 102 -6.577 -14.331 10.278 1.00 0.00 C ATOM 1506 CG PRO A 102 -6.258 -15.845 10.272 1.00 0.00 C ATOM 1507 CD PRO A 102 -6.346 -16.309 8.806 1.00 0.00 C ATOM 0 HA PRO A 102 -7.022 -13.045 8.559 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.943 -13.803 10.991 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.610 -14.153 10.577 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.264 -16.033 10.679 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.966 -16.392 10.895 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.467 -16.885 8.517 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.214 -16.948 8.642 1.00 0.00 H new ATOM 1515 N THR A 103 -4.795 -12.148 8.012 1.00 0.00 N ATOM 1516 CA THR A 103 -3.453 -11.527 7.844 1.00 0.00 C ATOM 1517 C THR A 103 -3.318 -10.336 8.793 1.00 0.00 C ATOM 1518 O THR A 103 -4.250 -9.592 9.023 1.00 0.00 O ATOM 1519 CB THR A 103 -3.282 -11.057 6.386 1.00 0.00 C ATOM 1520 OG1 THR A 103 -3.034 -12.184 5.559 1.00 0.00 O ATOM 1521 CG2 THR A 103 -2.109 -10.067 6.262 1.00 0.00 C ATOM 0 H THR A 103 -5.561 -11.662 7.545 1.00 0.00 H new ATOM 0 HA THR A 103 -2.681 -12.260 8.077 1.00 0.00 H new ATOM 0 HB THR A 103 -4.196 -10.552 6.073 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.926 -11.891 4.630 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.009 -9.750 5.224 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.299 -9.197 6.890 1.00 0.00 H new ATOM 0 HG23 THR A 103 -1.188 -10.552 6.584 1.00 0.00 H new ATOM 1529 N LYS A 104 -2.145 -10.145 9.317 1.00 0.00 N ATOM 1530 CA LYS A 104 -1.900 -8.997 10.225 1.00 0.00 C ATOM 1531 C LYS A 104 -0.863 -8.100 9.563 1.00 0.00 C ATOM 1532 O LYS A 104 0.093 -8.586 8.993 1.00 0.00 O ATOM 1533 CB LYS A 104 -1.339 -9.496 11.563 1.00 0.00 C ATOM 1534 CG LYS A 104 -0.308 -10.602 11.312 1.00 0.00 C ATOM 1535 CD LYS A 104 -0.978 -11.971 11.455 1.00 0.00 C ATOM 1536 CE LYS A 104 -0.175 -13.020 10.680 1.00 0.00 C ATOM 1537 NZ LYS A 104 1.005 -13.453 11.486 1.00 0.00 N ATOM 0 H LYS A 104 -1.335 -10.743 9.153 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.830 -8.459 10.409 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.877 -8.671 12.105 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.147 -9.875 12.189 1.00 0.00 H new ATOM 0 HG2 LYS A 104 0.118 -10.497 10.314 1.00 0.00 H new ATOM 0 HG3 LYS A 104 0.515 -10.513 12.021 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.039 -12.249 12.507 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.000 -11.928 11.077 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.806 -13.879 10.453 1.00 0.00 H new ATOM 0 HE3 LYS A 104 0.156 -12.607 9.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.387 -14.337 11.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 1.737 -12.715 11.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.714 -13.609 12.472 1.00 0.00 H new ATOM 1551 N VAL A 105 -1.015 -6.805 9.627 1.00 0.00 N ATOM 1552 CA VAL A 105 0.006 -5.927 8.987 1.00 0.00 C ATOM 1553 C VAL A 105 0.017 -4.539 9.620 1.00 0.00 C ATOM 1554 O VAL A 105 -1.012 -3.950 9.888 1.00 0.00 O ATOM 1555 CB VAL A 105 -0.288 -5.764 7.484 1.00 0.00 C ATOM 1556 CG1 VAL A 105 -0.488 -7.133 6.829 1.00 0.00 C ATOM 1557 CG2 VAL A 105 -1.555 -4.920 7.268 1.00 0.00 C ATOM 0 H VAL A 105 -1.788 -6.323 10.086 1.00 0.00 H new ATOM 0 HA VAL A 105 0.975 -6.403 9.134 1.00 0.00 H new ATOM 0 HB VAL A 105 0.565 -5.260 7.029 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.695 -7.001 5.767 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.415 -7.730 6.951 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.327 -7.643 7.302 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.745 -4.816 6.200 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.405 -5.411 7.742 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.414 -3.933 7.709 1.00 0.00 H new ATOM 1567 N LYS A 106 1.180 -3.985 9.771 1.00 0.00 N ATOM 1568 CA LYS A 106 1.284 -2.599 10.283 1.00 0.00 C ATOM 1569 C LYS A 106 1.271 -1.739 9.032 1.00 0.00 C ATOM 1570 O LYS A 106 2.137 -1.864 8.205 1.00 0.00 O ATOM 1571 CB LYS A 106 2.599 -2.402 11.054 1.00 0.00 C ATOM 1572 CG LYS A 106 3.797 -2.752 10.160 1.00 0.00 C ATOM 1573 CD LYS A 106 4.703 -3.744 10.893 1.00 0.00 C ATOM 1574 CE LYS A 106 5.648 -2.983 11.826 1.00 0.00 C ATOM 1575 NZ LYS A 106 4.935 -2.643 13.090 1.00 0.00 N ATOM 0 H LYS A 106 2.070 -4.436 9.560 1.00 0.00 H new ATOM 0 HA LYS A 106 0.480 -2.349 10.975 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.679 -1.369 11.393 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.605 -3.031 11.944 1.00 0.00 H new ATOM 0 HG2 LYS A 106 3.451 -3.184 9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 106 4.354 -1.849 9.910 1.00 0.00 H new ATOM 0 HD2 LYS A 106 4.100 -4.449 11.466 1.00 0.00 H new ATOM 0 HD3 LYS A 106 5.278 -4.327 10.174 1.00 0.00 H new ATOM 0 HE2 LYS A 106 6.527 -3.590 12.044 1.00 0.00 H new ATOM 0 HE3 LYS A 106 6.001 -2.074 11.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 5.628 -2.509 13.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 4.392 -1.766 12.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 4.287 -3.417 13.342 1.00 0.00 H new ATOM 1589 N VAL A 107 0.273 -0.933 8.833 1.00 0.00 N ATOM 1590 CA VAL A 107 0.219 -0.148 7.565 1.00 0.00 C ATOM 1591 C VAL A 107 0.994 1.164 7.712 1.00 0.00 C ATOM 1592 O VAL A 107 1.202 1.669 8.802 1.00 0.00 O ATOM 1593 CB VAL A 107 -1.271 0.142 7.162 1.00 0.00 C ATOM 1594 CG1 VAL A 107 -2.198 -0.931 7.728 1.00 0.00 C ATOM 1595 CG2 VAL A 107 -1.751 1.524 7.665 1.00 0.00 C ATOM 0 H VAL A 107 -0.500 -0.781 9.480 1.00 0.00 H new ATOM 0 HA VAL A 107 0.684 -0.739 6.776 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.307 0.135 6.073 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.226 -0.713 7.438 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.909 -1.906 7.335 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.122 -0.941 8.815 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.786 1.681 7.363 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.680 1.560 8.752 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.125 2.305 7.235 1.00 0.00 H new ATOM 1605 N HIS A 108 1.341 1.745 6.600 1.00 0.00 N ATOM 1606 CA HIS A 108 2.033 3.064 6.599 1.00 0.00 C ATOM 1607 C HIS A 108 1.831 3.666 5.215 1.00 0.00 C ATOM 1608 O HIS A 108 2.493 3.291 4.282 1.00 0.00 O ATOM 1609 CB HIS A 108 3.527 2.890 6.876 1.00 0.00 C ATOM 1610 CG HIS A 108 4.183 4.243 6.935 1.00 0.00 C ATOM 1611 ND1 HIS A 108 5.535 4.398 7.193 1.00 0.00 N ATOM 1612 CD2 HIS A 108 3.683 5.514 6.778 1.00 0.00 C ATOM 1613 CE1 HIS A 108 5.802 5.717 7.184 1.00 0.00 C ATOM 1614 NE2 HIS A 108 4.708 6.442 6.935 1.00 0.00 N ATOM 0 H HIS A 108 1.171 1.354 5.673 1.00 0.00 H new ATOM 0 HA HIS A 108 1.627 3.710 7.377 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.675 2.360 7.817 1.00 0.00 H new ATOM 0 HB3 HIS A 108 3.985 2.285 6.094 1.00 0.00 H new ATOM 0 HD1 HIS A 108 6.206 3.648 7.360 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.652 5.755 6.565 1.00 0.00 H new ATOM 0 HE1 HIS A 108 6.781 6.138 7.357 1.00 0.00 H new ATOM 1622 N MET A 109 0.892 4.561 5.068 1.00 0.00 N ATOM 1623 CA MET A 109 0.611 5.151 3.719 1.00 0.00 C ATOM 1624 C MET A 109 1.043 6.621 3.700 1.00 0.00 C ATOM 1625 O MET A 109 0.972 7.296 4.708 1.00 0.00 O ATOM 1626 CB MET A 109 -0.906 5.079 3.417 1.00 0.00 C ATOM 1627 CG MET A 109 -1.624 4.078 4.348 1.00 0.00 C ATOM 1628 SD MET A 109 -2.254 4.954 5.802 1.00 0.00 S ATOM 1629 CE MET A 109 -3.879 5.379 5.127 1.00 0.00 C ATOM 0 H MET A 109 0.304 4.913 5.823 1.00 0.00 H new ATOM 0 HA MET A 109 1.165 4.588 2.968 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.348 6.068 3.535 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.057 4.784 2.379 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.444 3.595 3.817 1.00 0.00 H new ATOM 0 HG3 MET A 109 -0.935 3.291 4.654 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.534 5.708 5.934 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.771 6.182 4.397 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.312 4.504 4.642 1.00 0.00 H new ATOM 1639 N LYS A 110 1.479 7.142 2.571 1.00 0.00 N ATOM 1640 CA LYS A 110 1.883 8.583 2.559 1.00 0.00 C ATOM 1641 C LYS A 110 1.530 9.199 1.204 1.00 0.00 C ATOM 1642 O LYS A 110 0.984 8.546 0.344 1.00 0.00 O ATOM 1643 CB LYS A 110 3.389 8.697 2.809 1.00 0.00 C ATOM 1644 CG LYS A 110 3.680 9.864 3.754 1.00 0.00 C ATOM 1645 CD LYS A 110 5.189 9.961 3.995 1.00 0.00 C ATOM 1646 CE LYS A 110 5.515 9.500 5.419 1.00 0.00 C ATOM 1647 NZ LYS A 110 6.989 9.576 5.639 1.00 0.00 N ATOM 0 H LYS A 110 1.570 6.646 1.684 1.00 0.00 H new ATOM 0 HA LYS A 110 1.351 9.118 3.346 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.765 7.769 3.239 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.912 8.845 1.864 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.309 10.795 3.325 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.158 9.719 4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.723 9.345 3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.525 10.988 3.849 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.995 10.126 6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.166 8.479 5.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.212 9.263 6.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.474 8.961 4.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.309 10.557 5.510 1.00 0.00 H new ATOM 1661 N LYS A 111 1.830 10.452 1.005 1.00 0.00 N ATOM 1662 CA LYS A 111 1.498 11.091 -0.300 1.00 0.00 C ATOM 1663 C LYS A 111 2.651 10.859 -1.282 1.00 0.00 C ATOM 1664 O LYS A 111 3.722 11.419 -1.150 1.00 0.00 O ATOM 1665 CB LYS A 111 1.258 12.593 -0.085 1.00 0.00 C ATOM 1666 CG LYS A 111 1.199 13.321 -1.433 1.00 0.00 C ATOM 1667 CD LYS A 111 0.376 14.602 -1.285 1.00 0.00 C ATOM 1668 CE LYS A 111 0.700 15.552 -2.439 1.00 0.00 C ATOM 1669 NZ LYS A 111 0.361 16.948 -2.043 1.00 0.00 N ATOM 0 H LYS A 111 2.288 11.059 1.685 1.00 0.00 H new ATOM 0 HA LYS A 111 0.591 10.651 -0.715 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.326 12.745 0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 111 2.057 13.012 0.527 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.206 13.561 -1.773 1.00 0.00 H new ATOM 0 HG3 LYS A 111 0.753 12.674 -2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -0.688 14.365 -1.283 1.00 0.00 H new ATOM 0 HD3 LYS A 111 0.598 15.082 -0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 111 1.757 15.482 -2.696 1.00 0.00 H new ATOM 0 HE3 LYS A 111 0.136 15.268 -3.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 0.581 17.595 -2.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -0.653 17.009 -1.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 0.918 17.216 -1.207 1.00 0.00 H new ATOM 1683 N ALA A 112 2.430 10.032 -2.265 1.00 0.00 N ATOM 1684 CA ALA A 112 3.494 9.746 -3.265 1.00 0.00 C ATOM 1685 C ALA A 112 4.014 11.056 -3.860 1.00 0.00 C ATOM 1686 O ALA A 112 3.266 11.981 -4.106 1.00 0.00 O ATOM 1687 CB ALA A 112 2.910 8.856 -4.361 1.00 0.00 C ATOM 0 H ALA A 112 1.551 9.538 -2.419 1.00 0.00 H new ATOM 0 HA ALA A 112 4.328 9.233 -2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.680 8.638 -5.101 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.555 7.924 -3.922 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.078 9.370 -4.843 1.00 0.00 H new ATOM 1693 N LEU A 113 5.299 11.146 -4.075 1.00 0.00 N ATOM 1694 CA LEU A 113 5.882 12.400 -4.633 1.00 0.00 C ATOM 1695 C LEU A 113 5.836 12.381 -6.165 1.00 0.00 C ATOM 1696 O LEU A 113 6.409 13.231 -6.818 1.00 0.00 O ATOM 1697 CB LEU A 113 7.333 12.525 -4.168 1.00 0.00 C ATOM 1698 CG LEU A 113 7.359 13.045 -2.731 1.00 0.00 C ATOM 1699 CD1 LEU A 113 8.691 12.676 -2.076 1.00 0.00 C ATOM 1700 CD2 LEU A 113 7.197 14.565 -2.740 1.00 0.00 C ATOM 0 H LEU A 113 5.972 10.403 -3.888 1.00 0.00 H new ATOM 0 HA LEU A 113 5.300 13.251 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 113 7.830 11.557 -4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 113 7.880 13.204 -4.823 1.00 0.00 H new ATOM 0 HG LEU A 113 6.543 12.595 -2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 113 8.708 13.048 -1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.806 11.592 -2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.510 13.125 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 113 7.215 14.939 -1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.014 15.015 -3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.247 14.827 -3.205 1.00 0.00 H new ATOM 1742 N SER A 117 -0.113 11.623 -5.561 1.00 0.00 N ATOM 1743 CA SER A 117 -0.695 10.255 -5.464 1.00 0.00 C ATOM 1744 C SER A 117 -0.912 9.869 -3.998 1.00 0.00 C ATOM 1745 O SER A 117 -0.839 10.690 -3.106 1.00 0.00 O ATOM 1746 CB SER A 117 0.259 9.255 -6.117 1.00 0.00 C ATOM 1747 OG SER A 117 -0.458 8.468 -7.058 1.00 0.00 O ATOM 0 HA SER A 117 -1.657 10.242 -5.976 1.00 0.00 H new ATOM 0 HB2 SER A 117 1.074 9.783 -6.613 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.709 8.615 -5.358 1.00 0.00 H new ATOM 0 HG SER A 117 -1.332 8.228 -6.685 1.00 0.00 H new ATOM 1753 N TYR A 118 -1.189 8.616 -3.754 1.00 0.00 N ATOM 1754 CA TYR A 118 -1.429 8.139 -2.357 1.00 0.00 C ATOM 1755 C TYR A 118 -1.013 6.672 -2.271 1.00 0.00 C ATOM 1756 O TYR A 118 -1.635 5.820 -2.878 1.00 0.00 O ATOM 1757 CB TYR A 118 -2.924 8.238 -2.045 1.00 0.00 C ATOM 1758 CG TYR A 118 -3.453 9.560 -2.497 1.00 0.00 C ATOM 1759 CD1 TYR A 118 -3.168 10.725 -1.780 1.00 0.00 C ATOM 1760 CD2 TYR A 118 -4.242 9.610 -3.643 1.00 0.00 C ATOM 1761 CE1 TYR A 118 -3.680 11.947 -2.220 1.00 0.00 C ATOM 1762 CE2 TYR A 118 -4.753 10.822 -4.083 1.00 0.00 C ATOM 1763 CZ TYR A 118 -4.475 11.999 -3.374 1.00 0.00 C ATOM 1764 OH TYR A 118 -4.983 13.205 -3.811 1.00 0.00 O ATOM 0 H TYR A 118 -1.260 7.893 -4.470 1.00 0.00 H new ATOM 0 HA TYR A 118 -0.859 8.743 -1.651 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.462 7.432 -2.543 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -3.089 8.117 -0.974 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.556 10.680 -0.891 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.456 8.704 -4.190 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.464 12.852 -1.672 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.365 10.859 -4.972 1.00 0.00 H new ATOM 0 HH TYR A 118 -5.511 13.062 -4.624 1.00 0.00 H new ATOM 1774 N TRP A 119 0.028 6.354 -1.546 1.00 0.00 N ATOM 1775 CA TRP A 119 0.436 4.928 -1.476 1.00 0.00 C ATOM 1776 C TRP A 119 0.281 4.348 -0.074 1.00 0.00 C ATOM 1777 O TRP A 119 0.535 4.985 0.918 1.00 0.00 O ATOM 1778 CB TRP A 119 1.858 4.742 -2.023 1.00 0.00 C ATOM 1779 CG TRP A 119 2.841 5.686 -1.418 1.00 0.00 C ATOM 1780 CD1 TRP A 119 3.425 6.722 -2.041 1.00 0.00 C ATOM 1781 CD2 TRP A 119 3.405 5.639 -0.105 1.00 0.00 C ATOM 1782 NE1 TRP A 119 4.318 7.325 -1.168 1.00 0.00 N ATOM 1783 CE2 TRP A 119 4.336 6.681 0.048 1.00 0.00 C ATOM 1784 CE3 TRP A 119 3.178 4.789 0.948 1.00 0.00 C ATOM 1785 CZ2 TRP A 119 5.036 6.859 1.239 1.00 0.00 C ATOM 1786 CZ3 TRP A 119 3.870 4.949 2.156 1.00 0.00 C ATOM 1787 CH2 TRP A 119 4.801 5.983 2.302 1.00 0.00 C ATOM 0 H TRP A 119 0.600 7.008 -1.011 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.243 4.361 -2.113 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.183 3.718 -1.836 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.847 4.881 -3.104 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.231 7.035 -3.056 1.00 0.00 H new ATOM 0 HE1 TRP A 119 4.887 8.140 -1.397 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.459 3.989 0.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 5.750 7.663 1.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.684 4.272 2.977 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.336 6.104 3.232 1.00 0.00 H new ATOM 1798 N VAL A 120 -0.160 3.118 -0.010 1.00 0.00 N ATOM 1799 CA VAL A 120 -0.357 2.438 1.300 1.00 0.00 C ATOM 1800 C VAL A 120 0.594 1.244 1.384 1.00 0.00 C ATOM 1801 O VAL A 120 0.422 0.247 0.711 1.00 0.00 O ATOM 1802 CB VAL A 120 -1.808 1.950 1.429 1.00 0.00 C ATOM 1803 CG1 VAL A 120 -2.045 1.446 2.852 1.00 0.00 C ATOM 1804 CG2 VAL A 120 -2.764 3.108 1.130 1.00 0.00 C ATOM 0 H VAL A 120 -0.395 2.550 -0.824 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.149 3.139 2.109 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.987 1.141 0.720 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.074 1.099 2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -1.363 0.623 3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.868 2.256 3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -3.794 2.763 1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.588 3.917 1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.591 3.470 0.116 1.00 0.00 H new ATOM 1814 N PHE A 121 1.601 1.344 2.203 1.00 0.00 N ATOM 1815 CA PHE A 121 2.573 0.225 2.336 1.00 0.00 C ATOM 1816 C PHE A 121 2.145 -0.691 3.468 1.00 0.00 C ATOM 1817 O PHE A 121 2.023 -0.275 4.600 1.00 0.00 O ATOM 1818 CB PHE A 121 3.972 0.767 2.655 1.00 0.00 C ATOM 1819 CG PHE A 121 4.446 1.720 1.579 1.00 0.00 C ATOM 1820 CD1 PHE A 121 3.823 1.755 0.323 1.00 0.00 C ATOM 1821 CD2 PHE A 121 5.521 2.572 1.848 1.00 0.00 C ATOM 1822 CE1 PHE A 121 4.273 2.642 -0.658 1.00 0.00 C ATOM 1823 CE2 PHE A 121 5.968 3.462 0.866 1.00 0.00 C ATOM 1824 CZ PHE A 121 5.344 3.497 -0.385 1.00 0.00 C ATOM 0 H PHE A 121 1.794 2.156 2.789 1.00 0.00 H new ATOM 0 HA PHE A 121 2.598 -0.322 1.394 1.00 0.00 H new ATOM 0 HB2 PHE A 121 3.956 1.279 3.617 1.00 0.00 H new ATOM 0 HB3 PHE A 121 4.674 -0.062 2.746 1.00 0.00 H new ATOM 0 HD1 PHE A 121 2.994 1.095 0.114 1.00 0.00 H new ATOM 0 HD2 PHE A 121 6.006 2.543 2.813 1.00 0.00 H new ATOM 0 HE1 PHE A 121 3.794 2.667 -1.626 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.796 4.123 1.074 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.690 4.186 -1.141 1.00 0.00 H new ATOM 1834 N VAL A 122 1.923 -1.934 3.178 1.00 0.00 N ATOM 1835 CA VAL A 122 1.514 -2.870 4.241 1.00 0.00 C ATOM 1836 C VAL A 122 2.705 -3.740 4.618 1.00 0.00 C ATOM 1837 O VAL A 122 3.202 -4.507 3.826 1.00 0.00 O ATOM 1838 CB VAL A 122 0.326 -3.711 3.726 1.00 0.00 C ATOM 1839 CG1 VAL A 122 0.379 -5.163 4.232 1.00 0.00 C ATOM 1840 CG2 VAL A 122 -0.970 -3.066 4.208 1.00 0.00 C ATOM 0 H VAL A 122 2.008 -2.341 2.247 1.00 0.00 H new ATOM 0 HA VAL A 122 1.192 -2.337 5.135 1.00 0.00 H new ATOM 0 HB VAL A 122 0.377 -3.737 2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.477 -5.715 3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.300 -5.634 3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.351 -5.170 5.322 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.820 -3.648 3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.979 -3.038 5.298 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.038 -2.050 3.819 1.00 0.00 H new ATOM 1850 N LYS A 123 3.139 -3.638 5.834 1.00 0.00 N ATOM 1851 CA LYS A 123 4.287 -4.474 6.284 1.00 0.00 C ATOM 1852 C LYS A 123 3.745 -5.683 7.048 1.00 0.00 C ATOM 1853 O LYS A 123 3.216 -5.551 8.130 1.00 0.00 O ATOM 1854 CB LYS A 123 5.194 -3.648 7.195 1.00 0.00 C ATOM 1855 CG LYS A 123 6.643 -4.083 6.996 1.00 0.00 C ATOM 1856 CD LYS A 123 7.545 -2.849 6.973 1.00 0.00 C ATOM 1857 CE LYS A 123 8.992 -3.262 7.241 1.00 0.00 C ATOM 1858 NZ LYS A 123 9.042 -4.116 8.462 1.00 0.00 N ATOM 0 H LYS A 123 2.752 -3.013 6.541 1.00 0.00 H new ATOM 0 HA LYS A 123 4.864 -4.812 5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 123 5.087 -2.587 6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.902 -3.783 8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 123 6.946 -4.754 7.800 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.743 -4.638 6.063 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.472 -2.352 6.006 1.00 0.00 H new ATOM 0 HD3 LYS A 123 7.216 -2.132 7.726 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.391 -3.807 6.385 1.00 0.00 H new ATOM 0 HE3 LYS A 123 9.616 -2.378 7.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 9.944 -3.963 8.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 8.254 -3.865 9.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 8.962 -5.116 8.189 1.00 0.00 H new ATOM 1872 N ARG A 124 3.857 -6.861 6.497 1.00 0.00 N ATOM 1873 CA ARG A 124 3.321 -8.055 7.213 1.00 0.00 C ATOM 1874 C ARG A 124 3.957 -8.147 8.601 1.00 0.00 C ATOM 1875 O ARG A 124 5.146 -7.959 8.768 1.00 0.00 O ATOM 1876 CB ARG A 124 3.617 -9.326 6.410 1.00 0.00 C ATOM 1877 CG ARG A 124 2.968 -10.527 7.102 1.00 0.00 C ATOM 1878 CD ARG A 124 2.853 -11.693 6.116 1.00 0.00 C ATOM 1879 NE ARG A 124 2.523 -12.941 6.862 1.00 0.00 N ATOM 1880 CZ ARG A 124 2.964 -14.093 6.436 1.00 0.00 C ATOM 1881 NH1 ARG A 124 4.238 -14.263 6.213 1.00 0.00 N ATOM 1882 NH2 ARG A 124 2.128 -15.075 6.233 1.00 0.00 N ATOM 0 H ARG A 124 4.291 -7.048 5.593 1.00 0.00 H new ATOM 0 HA ARG A 124 2.241 -7.955 7.321 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.233 -9.226 5.395 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.694 -9.476 6.330 1.00 0.00 H new ATOM 0 HG2 ARG A 124 3.562 -10.826 7.965 1.00 0.00 H new ATOM 0 HG3 ARG A 124 1.980 -10.254 7.474 1.00 0.00 H new ATOM 0 HD2 ARG A 124 2.081 -11.483 5.376 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.789 -11.818 5.572 1.00 0.00 H new ATOM 0 HE ARG A 124 1.952 -12.894 7.706 1.00 0.00 H new ATOM 0 HH11 ARG A 124 4.890 -13.495 6.372 1.00 0.00 H new ATOM 0 HH12 ARG A 124 4.582 -15.164 5.880 1.00 0.00 H new ATOM 0 HH21 ARG A 124 1.132 -14.941 6.407 1.00 0.00 H new ATOM 0 HH22 ARG A 124 2.471 -15.976 5.900 1.00 0.00 H new ATOM 1896 N VAL A 125 3.162 -8.422 9.601 1.00 0.00 N ATOM 1897 CA VAL A 125 3.702 -8.513 10.990 1.00 0.00 C ATOM 1898 C VAL A 125 3.945 -9.981 11.344 1.00 0.00 C ATOM 1899 O VAL A 125 3.069 -10.787 11.078 1.00 0.00 O ATOM 1900 CB VAL A 125 2.706 -7.906 12.003 1.00 0.00 C ATOM 1901 CG1 VAL A 125 3.476 -7.142 13.068 1.00 0.00 C ATOM 1902 CG2 VAL A 125 1.756 -6.928 11.317 1.00 0.00 C ATOM 1903 OXT VAL A 125 5.003 -10.273 11.876 1.00 0.00 O ATOM 0 H VAL A 125 2.159 -8.588 9.516 1.00 0.00 H new ATOM 0 HA VAL A 125 4.637 -7.955 11.038 1.00 0.00 H new ATOM 0 HB VAL A 125 2.131 -8.721 12.443 1.00 0.00 H new ATOM 0 HG11 VAL A 125 2.776 -6.712 13.785 1.00 0.00 H new ATOM 0 HG12 VAL A 125 4.153 -7.822 13.585 1.00 0.00 H new ATOM 0 HG13 VAL A 125 4.051 -6.344 12.599 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.065 -6.515 12.052 1.00 0.00 H new ATOM 0 HG22 VAL A 125 2.330 -6.120 10.865 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.193 -7.450 10.543 1.00 0.00 H new