USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 674 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 NoAdj-H: A 81 ASNHD22 : A 81 ASN ND2 : A 85 GLN CG :(H bumps) USER MOD Set 1.1: A 91 THR OG1 : rot -170:sc= 0.433 USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= 0.0105 USER MOD Set 2.1: A 92 HIS : no HD1:sc= -6.46! C(o=-8.7!,f=-9.1!) USER MOD Set 2.2: A 98 ASN :FLIP amide:sc= -2.29! C(o=-13!,f=-8.7!) USER MOD Set 3.1: A 27 HIS : no HE2:sc= -10.7! C(o=-11!,f=-18!) USER MOD Set 3.2: A 57 TYR OH : rot -131:sc= -0.405! USER MOD Set 4.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 83 ASN :FLIP amide:sc= -4.18! C(o=-16!,f=-5!) USER MOD Set 4.3: A 84 ASN : amide:sc= -0.847 K(o=-5,f=-5.9!) USER MOD Set 5.1: A 6 CYS SG : rot -35:sc= -22.4! USER MOD Set 5.2: A 9 ASN :FLIP amide:sc= -20.9! C(o=-93!,f=-90!) USER MOD Set 5.3: A 11 TYR OH : rot 36:sc= -8.73! USER MOD Set 5.4: A 103 CYS SG : rot 176:sc= -37.7! USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -73:sc= 0.616 USER MOD Single : A 8 SER OG : rot 68:sc= 1.1 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -18.9! C(o=-19!,f=-26!) USER MOD Single : A 25 LYS NZ :NH3+ 154:sc= -0.034 (180deg=-0.316) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -2.63! C(o=-2.6!,f=-4.2!) USER MOD Single : A 37 SER OG : rot 66:sc= 1.11 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : +bothHN:sc= -8.07! C(o=-8.1!,f=-8.7!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 64:sc= -3.37! USER MOD Single : A 43 ASN :FLIP amide:sc= -1.89 F(o=-4!,f=-1.9) USER MOD Single : A 44 ASN :FLIP amide:sc= -2.1! C(o=-4.7!,f=-2.1!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -120:sc= -8.53! USER MOD Single : A 69 SER OG : rot 53:sc= 0.832 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -81.4! C(o=-81!,f=-85!) USER MOD Single : A 96 SER OG : rot -58:sc= 1.1 USER MOD Single : A 99 ASN :FLIP amide:sc= -19.6! C(o=-26!,f=-20!) USER MOD Single : A 104 THR OG1 : rot -80:sc= 0.778 USER MOD ----------------------------------------------------------------- ATOM 11 N CYS A 2 -6.393 -14.485 -5.574 1.00 0.00 N ATOM 12 CA CYS A 2 -5.162 -13.741 -5.372 1.00 0.00 C ATOM 13 C CYS A 2 -4.695 -13.209 -6.729 1.00 0.00 C ATOM 14 O CYS A 2 -4.635 -13.956 -7.705 1.00 0.00 O ATOM 15 CB CYS A 2 -4.090 -14.593 -4.693 1.00 0.00 C ATOM 16 SG CYS A 2 -4.554 -16.343 -4.427 1.00 0.00 S ATOM 0 HA CYS A 2 -5.346 -12.904 -4.698 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.183 -14.560 -5.297 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -3.847 -14.146 -3.729 1.00 0.00 H new ATOM 21 N ASP A 3 -4.376 -11.923 -6.747 1.00 0.00 N ATOM 22 CA ASP A 3 -3.916 -11.284 -7.968 1.00 0.00 C ATOM 23 C ASP A 3 -2.641 -10.492 -7.675 1.00 0.00 C ATOM 24 O ASP A 3 -2.030 -9.932 -8.584 1.00 0.00 O ATOM 25 CB ASP A 3 -4.964 -10.308 -8.508 1.00 0.00 C ATOM 26 CG ASP A 3 -5.902 -10.888 -9.568 1.00 0.00 C ATOM 27 OD1 ASP A 3 -6.904 -11.514 -9.160 1.00 0.00 O ATOM 28 OD2 ASP A 3 -5.595 -10.692 -10.765 1.00 0.00 O ATOM 0 H ASP A 3 -4.427 -11.307 -5.936 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.733 -12.064 -8.708 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.564 -9.944 -7.674 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.451 -9.445 -8.932 1.00 0.00 H new ATOM 33 N TYR A 4 -2.275 -10.471 -6.402 1.00 0.00 N ATOM 34 CA TYR A 4 -1.083 -9.757 -5.976 1.00 0.00 C ATOM 35 C TYR A 4 -0.288 -10.575 -4.956 1.00 0.00 C ATOM 36 O TYR A 4 -0.506 -10.453 -3.752 1.00 0.00 O ATOM 37 CB TYR A 4 -1.576 -8.472 -5.308 1.00 0.00 C ATOM 38 CG TYR A 4 -2.313 -7.522 -6.255 1.00 0.00 C ATOM 39 CD1 TYR A 4 -1.611 -6.825 -7.217 1.00 0.00 C ATOM 40 CD2 TYR A 4 -3.680 -7.363 -6.146 1.00 0.00 C ATOM 41 CE1 TYR A 4 -2.305 -5.931 -8.108 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.373 -6.469 -7.038 1.00 0.00 C ATOM 43 CZ TYR A 4 -3.651 -5.797 -7.974 1.00 0.00 C ATOM 44 OH TYR A 4 -4.307 -4.953 -8.816 1.00 0.00 O ATOM 0 H TYR A 4 -2.783 -10.937 -5.651 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.429 -9.562 -6.826 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.240 -8.734 -4.484 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.723 -7.949 -4.876 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.542 -6.950 -7.302 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.229 -7.908 -5.393 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.768 -5.380 -8.866 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.442 -6.335 -6.965 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.264 -4.959 -8.605 1.00 0.00 H new ATOM 54 N THR A 5 0.617 -11.392 -5.476 1.00 0.00 N ATOM 55 CA THR A 5 1.445 -12.230 -4.625 1.00 0.00 C ATOM 56 C THR A 5 2.821 -11.593 -4.426 1.00 0.00 C ATOM 57 O THR A 5 3.664 -11.636 -5.321 1.00 0.00 O ATOM 58 CB THR A 5 1.505 -13.625 -5.251 1.00 0.00 C ATOM 59 OG1 THR A 5 0.219 -14.180 -4.989 1.00 0.00 O ATOM 60 CG2 THR A 5 2.470 -14.555 -4.514 1.00 0.00 C ATOM 0 H THR A 5 0.795 -11.491 -6.475 1.00 0.00 H new ATOM 0 HA THR A 5 1.018 -12.324 -3.626 1.00 0.00 H new ATOM 0 HB THR A 5 1.807 -13.542 -6.295 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.150 -14.411 -4.039 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.475 -15.532 -4.998 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.474 -14.132 -4.540 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.149 -14.665 -3.478 1.00 0.00 H new ATOM 68 N CYS A 6 3.006 -11.016 -3.248 1.00 0.00 N ATOM 69 CA CYS A 6 4.266 -10.371 -2.921 1.00 0.00 C ATOM 70 C CYS A 6 5.258 -11.448 -2.477 1.00 0.00 C ATOM 71 O CYS A 6 5.681 -11.469 -1.323 1.00 0.00 O ATOM 72 CB CYS A 6 4.087 -9.287 -1.855 1.00 0.00 C ATOM 73 SG CYS A 6 3.507 -7.671 -2.492 1.00 0.00 S ATOM 0 H CYS A 6 2.304 -10.982 -2.508 1.00 0.00 H new ATOM 0 HA CYS A 6 4.655 -9.862 -3.803 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.376 -9.644 -1.110 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.038 -9.140 -1.343 1.00 0.00 H new ATOM 0 HG CYS A 6 4.023 -7.457 -3.666 1.00 0.00 H new ATOM 78 N GLY A 7 5.597 -12.317 -3.419 1.00 0.00 N ATOM 79 CA GLY A 7 6.530 -13.395 -3.138 1.00 0.00 C ATOM 80 C GLY A 7 5.885 -14.463 -2.254 1.00 0.00 C ATOM 81 O GLY A 7 5.862 -15.640 -2.611 1.00 0.00 O ATOM 0 H GLY A 7 5.243 -12.296 -4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.863 -13.845 -4.073 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.415 -12.995 -2.644 1.00 0.00 H new ATOM 85 N SER A 8 5.376 -14.015 -1.115 1.00 0.00 N ATOM 86 CA SER A 8 4.733 -14.918 -0.176 1.00 0.00 C ATOM 87 C SER A 8 3.401 -14.327 0.289 1.00 0.00 C ATOM 88 O SER A 8 3.168 -14.176 1.487 1.00 0.00 O ATOM 89 CB SER A 8 5.636 -15.199 1.026 1.00 0.00 C ATOM 90 OG SER A 8 5.513 -14.199 2.033 1.00 0.00 O ATOM 0 H SER A 8 5.396 -13.038 -0.822 1.00 0.00 H new ATOM 0 HA SER A 8 4.547 -15.864 -0.685 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.384 -16.172 1.449 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.673 -15.254 0.695 1.00 0.00 H new ATOM 0 HG SER A 8 4.622 -14.249 2.437 1.00 0.00 H new ATOM 96 N ASN A 9 2.561 -14.006 -0.684 1.00 0.00 N ATOM 97 CA ASN A 9 1.258 -13.434 -0.389 1.00 0.00 C ATOM 98 C ASN A 9 0.224 -14.003 -1.363 1.00 0.00 C ATOM 99 O ASN A 9 0.540 -14.877 -2.169 1.00 0.00 O ATOM 100 CB ASN A 9 1.274 -11.913 -0.553 1.00 0.00 C ATOM 101 CG ASN A 9 2.418 -11.287 0.247 1.00 0.00 C ATOM 102 OD1 ASN A 9 3.629 -11.639 -0.175 1.00 0.00 O flip ATOM 103 ND2 ASN A 9 2.215 -10.535 1.186 1.00 0.00 N flip ATOM 0 H ASN A 9 2.757 -14.131 -1.677 1.00 0.00 H new ATOM 0 HA ASN A 9 1.006 -13.683 0.642 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.381 -11.659 -1.607 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.323 -11.498 -0.220 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.259 -10.306 1.458 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.001 -10.136 1.699 1.00 0.00 H new ATOM 110 N CYS A 10 -0.990 -13.483 -1.258 1.00 0.00 N ATOM 111 CA CYS A 10 -2.073 -13.929 -2.118 1.00 0.00 C ATOM 112 C CYS A 10 -3.317 -13.097 -1.797 1.00 0.00 C ATOM 113 O CYS A 10 -4.330 -13.636 -1.356 1.00 0.00 O ATOM 114 CB CYS A 10 -2.335 -15.429 -1.968 1.00 0.00 C ATOM 115 SG CYS A 10 -2.687 -16.308 -3.534 1.00 0.00 S ATOM 0 H CYS A 10 -1.248 -12.757 -0.590 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.796 -13.778 -3.161 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.467 -15.890 -1.497 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.178 -15.570 -1.291 1.00 0.00 H new ATOM 120 N TYR A 11 -3.197 -11.799 -2.031 1.00 0.00 N ATOM 121 CA TYR A 11 -4.298 -10.887 -1.772 1.00 0.00 C ATOM 122 C TYR A 11 -4.561 -9.987 -2.981 1.00 0.00 C ATOM 123 O TYR A 11 -3.897 -8.966 -3.156 1.00 0.00 O ATOM 124 CB TYR A 11 -3.859 -10.020 -0.591 1.00 0.00 C ATOM 125 CG TYR A 11 -2.354 -9.751 -0.543 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.668 -9.458 -1.704 1.00 0.00 C ATOM 127 CD2 TYR A 11 -1.682 -9.800 0.661 1.00 0.00 C ATOM 128 CE1 TYR A 11 -0.251 -9.204 -1.658 1.00 0.00 C ATOM 129 CE2 TYR A 11 -0.266 -9.547 0.707 1.00 0.00 C ATOM 130 CZ TYR A 11 0.381 -9.262 -0.455 1.00 0.00 C ATOM 131 OH TYR A 11 1.718 -9.023 -0.412 1.00 0.00 O ATOM 0 H TYR A 11 -2.354 -11.357 -2.397 1.00 0.00 H new ATOM 0 HA TYR A 11 -5.214 -11.441 -1.566 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.387 -9.067 -0.637 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.160 -10.507 0.336 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.193 -9.419 -2.647 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.219 -10.028 1.570 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.298 -8.973 -2.559 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.271 -9.583 1.643 1.00 0.00 H new ATOM 0 HH TYR A 11 1.947 -8.326 -1.062 1.00 0.00 H new ATOM 141 N SER A 12 -5.531 -10.398 -3.785 1.00 0.00 N ATOM 142 CA SER A 12 -5.890 -9.641 -4.972 1.00 0.00 C ATOM 143 C SER A 12 -6.407 -8.257 -4.575 1.00 0.00 C ATOM 144 O SER A 12 -6.432 -7.916 -3.393 1.00 0.00 O ATOM 145 CB SER A 12 -6.942 -10.382 -5.800 1.00 0.00 C ATOM 146 OG SER A 12 -8.064 -10.772 -5.014 1.00 0.00 O ATOM 0 H SER A 12 -6.079 -11.245 -3.638 1.00 0.00 H new ATOM 0 HA SER A 12 -4.997 -9.526 -5.586 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.277 -9.742 -6.617 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.491 -11.266 -6.251 1.00 0.00 H new ATOM 0 HG SER A 12 -8.713 -11.240 -5.580 1.00 0.00 H new ATOM 152 N SER A 13 -6.807 -7.498 -5.584 1.00 0.00 N ATOM 153 CA SER A 13 -7.321 -6.159 -5.355 1.00 0.00 C ATOM 154 C SER A 13 -8.465 -6.204 -4.339 1.00 0.00 C ATOM 155 O SER A 13 -8.845 -5.176 -3.780 1.00 0.00 O ATOM 156 CB SER A 13 -7.797 -5.520 -6.661 1.00 0.00 C ATOM 157 OG SER A 13 -8.524 -6.439 -7.471 1.00 0.00 O ATOM 0 H SER A 13 -6.785 -7.785 -6.563 1.00 0.00 H new ATOM 0 HA SER A 13 -6.512 -5.547 -4.956 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.426 -4.659 -6.435 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.937 -5.148 -7.217 1.00 0.00 H new ATOM 0 HG SER A 13 -8.812 -5.992 -8.294 1.00 0.00 H new ATOM 163 N SER A 14 -8.982 -7.406 -4.131 1.00 0.00 N ATOM 164 CA SER A 14 -10.074 -7.600 -3.192 1.00 0.00 C ATOM 165 C SER A 14 -9.527 -7.707 -1.768 1.00 0.00 C ATOM 166 O SER A 14 -10.204 -7.337 -0.810 1.00 0.00 O ATOM 167 CB SER A 14 -10.889 -8.846 -3.543 1.00 0.00 C ATOM 168 OG SER A 14 -12.052 -8.970 -2.730 1.00 0.00 O ATOM 0 H SER A 14 -8.665 -8.256 -4.597 1.00 0.00 H new ATOM 0 HA SER A 14 -10.736 -6.737 -3.256 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.183 -8.803 -4.592 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.266 -9.732 -3.422 1.00 0.00 H new ATOM 0 HG SER A 14 -12.546 -9.777 -2.986 1.00 0.00 H new ATOM 174 N ASP A 15 -8.307 -8.214 -1.673 1.00 0.00 N ATOM 175 CA ASP A 15 -7.661 -8.374 -0.382 1.00 0.00 C ATOM 176 C ASP A 15 -7.004 -7.052 0.023 1.00 0.00 C ATOM 177 O ASP A 15 -7.055 -6.661 1.188 1.00 0.00 O ATOM 178 CB ASP A 15 -6.571 -9.446 -0.440 1.00 0.00 C ATOM 179 CG ASP A 15 -7.030 -10.856 -0.064 1.00 0.00 C ATOM 180 OD1 ASP A 15 -7.845 -11.411 -0.832 1.00 0.00 O ATOM 181 OD2 ASP A 15 -6.554 -11.347 0.984 1.00 0.00 O ATOM 0 H ASP A 15 -7.748 -8.520 -2.470 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.421 -8.672 0.340 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.160 -9.471 -1.449 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.760 -9.154 0.227 1.00 0.00 H new ATOM 186 N VAL A 16 -6.403 -6.401 -0.962 1.00 0.00 N ATOM 187 CA VAL A 16 -5.737 -5.133 -0.723 1.00 0.00 C ATOM 188 C VAL A 16 -6.729 -4.151 -0.096 1.00 0.00 C ATOM 189 O VAL A 16 -6.420 -3.506 0.904 1.00 0.00 O ATOM 190 CB VAL A 16 -5.121 -4.612 -2.023 1.00 0.00 C ATOM 191 CG1 VAL A 16 -4.503 -3.228 -1.821 1.00 0.00 C ATOM 192 CG2 VAL A 16 -4.090 -5.598 -2.575 1.00 0.00 C ATOM 0 H VAL A 16 -6.364 -6.728 -1.927 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.916 -5.260 -0.018 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.920 -4.517 -2.758 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.072 -2.881 -2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.274 -2.529 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.722 -3.285 -1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.668 -5.203 -3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.294 -5.740 -1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.573 -6.554 -2.776 1.00 0.00 H new ATOM 202 N SER A 17 -7.899 -4.068 -0.711 1.00 0.00 N ATOM 203 CA SER A 17 -8.939 -3.176 -0.226 1.00 0.00 C ATOM 204 C SER A 17 -8.921 -3.135 1.303 1.00 0.00 C ATOM 205 O SER A 17 -8.845 -2.061 1.898 1.00 0.00 O ATOM 206 CB SER A 17 -10.316 -3.611 -0.730 1.00 0.00 C ATOM 207 OG SER A 17 -11.342 -2.709 -0.322 1.00 0.00 O ATOM 0 H SER A 17 -8.150 -4.604 -1.542 1.00 0.00 H new ATOM 0 HA SER A 17 -8.740 -2.176 -0.612 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.301 -3.675 -1.818 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.541 -4.610 -0.355 1.00 0.00 H new ATOM 0 HG SER A 17 -12.206 -3.020 -0.665 1.00 0.00 H new ATOM 213 N THR A 18 -8.991 -4.318 1.896 1.00 0.00 N ATOM 214 CA THR A 18 -8.985 -4.431 3.345 1.00 0.00 C ATOM 215 C THR A 18 -7.836 -3.613 3.938 1.00 0.00 C ATOM 216 O THR A 18 -8.048 -2.794 4.831 1.00 0.00 O ATOM 217 CB THR A 18 -8.921 -5.916 3.703 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.288 -6.309 3.796 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.368 -6.156 5.110 1.00 0.00 C ATOM 0 H THR A 18 -9.052 -5.207 1.399 1.00 0.00 H new ATOM 0 HA THR A 18 -9.895 -4.017 3.778 1.00 0.00 H new ATOM 0 HB THR A 18 -8.300 -6.439 2.975 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.340 -7.261 4.024 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.344 -7.227 5.314 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.358 -5.751 5.178 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.007 -5.662 5.841 1.00 0.00 H new ATOM 227 N ALA A 19 -6.644 -3.862 3.416 1.00 0.00 N ATOM 228 CA ALA A 19 -5.461 -3.159 3.883 1.00 0.00 C ATOM 229 C ALA A 19 -5.652 -1.655 3.678 1.00 0.00 C ATOM 230 O ALA A 19 -5.302 -0.857 4.545 1.00 0.00 O ATOM 231 CB ALA A 19 -4.227 -3.695 3.153 1.00 0.00 C ATOM 0 H ALA A 19 -6.472 -4.541 2.674 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.309 -3.330 4.949 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.340 -3.168 3.503 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.119 -4.761 3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.342 -3.539 2.080 1.00 0.00 H new ATOM 237 N GLN A 20 -6.207 -1.313 2.524 1.00 0.00 N ATOM 238 CA GLN A 20 -6.450 0.080 2.194 1.00 0.00 C ATOM 239 C GLN A 20 -7.395 0.712 3.217 1.00 0.00 C ATOM 240 O GLN A 20 -7.061 1.719 3.839 1.00 0.00 O ATOM 241 CB GLN A 20 -7.005 0.219 0.775 1.00 0.00 C ATOM 242 CG GLN A 20 -6.196 -0.621 -0.215 1.00 0.00 C ATOM 243 CD GLN A 20 -6.999 -0.890 -1.489 1.00 0.00 C ATOM 244 OE1 GLN A 20 -7.169 -2.019 -1.921 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.481 0.206 -2.067 1.00 0.00 N ATOM 0 H GLN A 20 -6.495 -1.978 1.806 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.499 0.612 2.231 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.048 -0.095 0.756 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.982 1.266 0.473 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.271 -0.102 -0.467 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.915 -1.567 0.249 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.302 1.121 -1.654 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.030 0.132 -2.924 1.00 0.00 H new ATOM 254 N ALA A 21 -8.558 0.093 3.361 1.00 0.00 N ATOM 255 CA ALA A 21 -9.555 0.582 4.298 1.00 0.00 C ATOM 256 C ALA A 21 -8.853 1.141 5.537 1.00 0.00 C ATOM 257 O ALA A 21 -9.297 2.134 6.112 1.00 0.00 O ATOM 258 CB ALA A 21 -10.530 -0.546 4.641 1.00 0.00 C ATOM 0 H ALA A 21 -8.832 -0.743 2.844 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.135 1.391 3.854 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.278 -0.179 5.344 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.024 -0.889 3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.984 -1.375 5.092 1.00 0.00 H new ATOM 264 N ALA A 22 -7.767 0.482 5.911 1.00 0.00 N ATOM 265 CA ALA A 22 -6.999 0.901 7.071 1.00 0.00 C ATOM 266 C ALA A 22 -6.225 2.176 6.731 1.00 0.00 C ATOM 267 O ALA A 22 -6.340 3.181 7.430 1.00 0.00 O ATOM 268 CB ALA A 22 -6.079 -0.240 7.514 1.00 0.00 C ATOM 0 H ALA A 22 -7.400 -0.340 5.431 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.660 1.130 7.907 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.503 0.074 8.384 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.680 -1.112 7.772 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.399 -0.495 6.701 1.00 0.00 H new ATOM 274 N GLY A 23 -5.452 2.092 5.658 1.00 0.00 N ATOM 275 CA GLY A 23 -4.659 3.227 5.216 1.00 0.00 C ATOM 276 C GLY A 23 -5.529 4.475 5.057 1.00 0.00 C ATOM 277 O GLY A 23 -5.130 5.570 5.453 1.00 0.00 O ATOM 0 H GLY A 23 -5.358 1.256 5.082 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.865 3.423 5.936 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.178 2.991 4.267 1.00 0.00 H new ATOM 281 N TYR A 24 -6.701 4.270 4.476 1.00 0.00 N ATOM 282 CA TYR A 24 -7.631 5.365 4.259 1.00 0.00 C ATOM 283 C TYR A 24 -8.198 5.875 5.586 1.00 0.00 C ATOM 284 O TYR A 24 -7.930 7.008 5.985 1.00 0.00 O ATOM 285 CB TYR A 24 -8.774 4.788 3.419 1.00 0.00 C ATOM 286 CG TYR A 24 -9.873 5.800 3.088 1.00 0.00 C ATOM 287 CD1 TYR A 24 -9.548 7.118 2.843 1.00 0.00 C ATOM 288 CD2 TYR A 24 -11.190 5.392 3.034 1.00 0.00 C ATOM 289 CE1 TYR A 24 -10.583 8.070 2.531 1.00 0.00 C ATOM 290 CE2 TYR A 24 -12.226 6.344 2.721 1.00 0.00 C ATOM 291 CZ TYR A 24 -11.871 7.635 2.485 1.00 0.00 C ATOM 292 OH TYR A 24 -12.848 8.534 2.190 1.00 0.00 O ATOM 0 H TYR A 24 -7.029 3.361 4.148 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.131 6.200 3.769 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.365 4.394 2.489 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.217 3.948 3.954 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.517 7.436 2.885 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.444 4.360 3.226 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -10.342 9.105 2.338 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -13.261 6.039 2.675 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.718 8.083 2.191 1.00 0.00 H new ATOM 302 N LYS A 25 -8.969 5.014 6.234 1.00 0.00 N ATOM 303 CA LYS A 25 -9.574 5.363 7.507 1.00 0.00 C ATOM 304 C LYS A 25 -8.634 6.293 8.277 1.00 0.00 C ATOM 305 O LYS A 25 -9.012 7.409 8.631 1.00 0.00 O ATOM 306 CB LYS A 25 -9.959 4.101 8.281 1.00 0.00 C ATOM 307 CG LYS A 25 -9.859 4.330 9.791 1.00 0.00 C ATOM 308 CD LYS A 25 -8.443 4.048 10.296 1.00 0.00 C ATOM 309 CE LYS A 25 -8.468 3.101 11.496 1.00 0.00 C ATOM 310 NZ LYS A 25 -8.972 1.769 11.095 1.00 0.00 N ATOM 0 H LYS A 25 -9.188 4.075 5.901 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.504 5.909 7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.976 3.807 8.021 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.305 3.279 7.990 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.134 5.358 10.025 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.569 3.684 10.308 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.848 3.610 9.495 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.960 4.984 10.577 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.465 3.006 11.913 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.102 3.515 12.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.592 1.046 11.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.011 1.762 11.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.668 1.561 10.122 1.00 0.00 H new ATOM 324 N LEU A 26 -7.427 5.799 8.512 1.00 0.00 N ATOM 325 CA LEU A 26 -6.429 6.572 9.233 1.00 0.00 C ATOM 326 C LEU A 26 -6.093 7.833 8.434 1.00 0.00 C ATOM 327 O LEU A 26 -5.897 8.903 9.009 1.00 0.00 O ATOM 328 CB LEU A 26 -5.211 5.705 9.556 1.00 0.00 C ATOM 329 CG LEU A 26 -4.038 6.421 10.229 1.00 0.00 C ATOM 330 CD1 LEU A 26 -4.113 6.284 11.751 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.702 5.925 9.674 1.00 0.00 C ATOM 0 H LEU A 26 -7.117 4.873 8.216 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.822 6.899 10.196 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.532 4.889 10.203 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.854 5.256 8.629 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.108 7.484 9.997 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.268 6.802 12.205 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.043 6.724 12.110 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.081 5.229 12.023 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.885 6.450 10.169 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.608 4.854 9.855 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.660 6.117 8.602 1.00 0.00 H new ATOM 343 N HIS A 27 -6.035 7.665 7.121 1.00 0.00 N ATOM 344 CA HIS A 27 -5.726 8.775 6.237 1.00 0.00 C ATOM 345 C HIS A 27 -6.818 9.841 6.349 1.00 0.00 C ATOM 346 O HIS A 27 -6.523 11.025 6.503 1.00 0.00 O ATOM 347 CB HIS A 27 -5.518 8.287 4.802 1.00 0.00 C ATOM 348 CG HIS A 27 -5.460 9.396 3.778 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.521 10.411 3.824 1.00 0.00 N ATOM 350 CD2 HIS A 27 -6.236 9.637 2.681 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.730 11.220 2.797 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.793 10.740 2.090 1.00 0.00 N ATOM 0 H HIS A 27 -6.197 6.776 6.648 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.786 9.235 6.542 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.592 7.714 4.755 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.328 7.606 4.540 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -3.792 10.518 4.529 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.068 9.033 2.350 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.159 12.105 2.560 1.00 0.00 H new ATOM 361 N GLU A 28 -8.058 9.381 6.266 1.00 0.00 N ATOM 362 CA GLU A 28 -9.197 10.279 6.355 1.00 0.00 C ATOM 363 C GLU A 28 -9.188 11.016 7.697 1.00 0.00 C ATOM 364 O GLU A 28 -9.684 12.136 7.797 1.00 0.00 O ATOM 365 CB GLU A 28 -10.510 9.521 6.155 1.00 0.00 C ATOM 366 CG GLU A 28 -10.250 8.053 5.813 1.00 0.00 C ATOM 367 CD GLU A 28 -11.550 7.337 5.443 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.546 8.055 5.207 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.519 6.088 5.404 1.00 0.00 O ATOM 0 H GLU A 28 -8.299 8.398 6.138 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.117 11.017 5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.113 9.586 7.061 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.085 9.988 5.355 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.546 7.989 4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.786 7.555 6.664 1.00 0.00 H new ATOM 376 N ASP A 29 -8.617 10.356 8.693 1.00 0.00 N ATOM 377 CA ASP A 29 -8.537 10.933 10.024 1.00 0.00 C ATOM 378 C ASP A 29 -7.270 11.786 10.130 1.00 0.00 C ATOM 379 O ASP A 29 -7.141 12.602 11.042 1.00 0.00 O ATOM 380 CB ASP A 29 -8.464 9.843 11.095 1.00 0.00 C ATOM 381 CG ASP A 29 -9.815 9.274 11.530 1.00 0.00 C ATOM 382 OD1 ASP A 29 -10.688 10.093 11.888 1.00 0.00 O ATOM 383 OD2 ASP A 29 -9.944 8.030 11.496 1.00 0.00 O ATOM 0 H ASP A 29 -8.205 9.427 8.605 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.431 11.535 10.184 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.847 9.027 10.720 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.958 10.249 11.971 1.00 0.00 H new ATOM 388 N GLY A 30 -6.367 11.567 9.185 1.00 0.00 N ATOM 389 CA GLY A 30 -5.115 12.304 9.161 1.00 0.00 C ATOM 390 C GLY A 30 -4.157 11.793 10.238 1.00 0.00 C ATOM 391 O GLY A 30 -3.256 12.514 10.664 1.00 0.00 O ATOM 0 H GLY A 30 -6.478 10.890 8.430 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.650 12.206 8.180 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.310 13.365 9.317 1.00 0.00 H new ATOM 395 N GLU A 31 -4.384 10.553 10.647 1.00 0.00 N ATOM 396 CA GLU A 31 -3.552 9.938 11.666 1.00 0.00 C ATOM 397 C GLU A 31 -2.522 9.010 11.021 1.00 0.00 C ATOM 398 O GLU A 31 -2.503 8.849 9.802 1.00 0.00 O ATOM 399 CB GLU A 31 -4.405 9.184 12.689 1.00 0.00 C ATOM 400 CG GLU A 31 -5.194 10.156 13.569 1.00 0.00 C ATOM 401 CD GLU A 31 -4.268 10.892 14.541 1.00 0.00 C ATOM 402 OE1 GLU A 31 -3.627 11.864 14.088 1.00 0.00 O ATOM 403 OE2 GLU A 31 -4.223 10.463 15.714 1.00 0.00 O ATOM 0 H GLU A 31 -5.132 9.958 10.291 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.019 10.727 12.197 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.093 8.516 12.172 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.764 8.561 13.313 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.716 10.878 12.941 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.954 9.611 14.128 1.00 0.00 H new ATOM 410 N THR A 32 -1.690 8.421 11.868 1.00 0.00 N ATOM 411 CA THR A 32 -0.659 7.512 11.396 1.00 0.00 C ATOM 412 C THR A 32 -0.756 6.171 12.124 1.00 0.00 C ATOM 413 O THR A 32 -1.652 5.967 12.942 1.00 0.00 O ATOM 414 CB THR A 32 0.695 8.202 11.569 1.00 0.00 C ATOM 415 OG1 THR A 32 0.701 8.617 12.933 1.00 0.00 O ATOM 416 CG2 THR A 32 0.791 9.509 10.780 1.00 0.00 C ATOM 0 H THR A 32 -1.709 8.556 12.879 1.00 0.00 H new ATOM 0 HA THR A 32 -0.789 7.281 10.339 1.00 0.00 H new ATOM 0 HB THR A 32 1.490 7.528 11.251 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.545 9.073 13.133 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.772 9.958 10.938 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.652 9.304 9.718 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.018 10.197 11.121 1.00 0.00 H new ATOM 424 N VAL A 33 0.180 5.289 11.802 1.00 0.00 N ATOM 425 CA VAL A 33 0.212 3.973 12.416 1.00 0.00 C ATOM 426 C VAL A 33 1.648 3.641 12.826 1.00 0.00 C ATOM 427 O VAL A 33 2.561 3.698 12.004 1.00 0.00 O ATOM 428 CB VAL A 33 -0.393 2.938 11.466 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.721 3.432 10.889 1.00 0.00 C ATOM 430 CG2 VAL A 33 0.590 2.578 10.350 1.00 0.00 C ATOM 0 H VAL A 33 0.922 5.461 11.123 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.396 3.959 13.321 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.594 2.034 12.040 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.129 2.677 10.217 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.425 3.614 11.701 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.556 4.358 10.337 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.135 1.840 9.689 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.837 3.474 9.780 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.499 2.163 10.786 1.00 0.00 H new ATOM 440 N GLY A 34 1.802 3.301 14.098 1.00 0.00 N ATOM 441 CA GLY A 34 3.112 2.960 14.627 1.00 0.00 C ATOM 442 C GLY A 34 3.929 4.219 14.923 1.00 0.00 C ATOM 443 O GLY A 34 3.379 5.236 15.343 1.00 0.00 O ATOM 0 H GLY A 34 1.042 3.254 14.777 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.998 2.373 15.539 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.646 2.336 13.911 1.00 0.00 H new ATOM 447 N SER A 35 5.229 4.110 14.692 1.00 0.00 N ATOM 448 CA SER A 35 6.127 5.227 14.928 1.00 0.00 C ATOM 449 C SER A 35 6.388 5.976 13.619 1.00 0.00 C ATOM 450 O SER A 35 6.910 7.089 13.630 1.00 0.00 O ATOM 451 CB SER A 35 7.447 4.753 15.540 1.00 0.00 C ATOM 452 OG SER A 35 8.221 3.994 14.616 1.00 0.00 O ATOM 0 H SER A 35 5.682 3.265 14.344 1.00 0.00 H new ATOM 0 HA SER A 35 5.651 5.904 15.637 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.023 5.616 15.872 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.241 4.148 16.423 1.00 0.00 H new ATOM 0 HG SER A 35 9.056 3.711 15.044 1.00 0.00 H new ATOM 458 N ASN A 36 6.010 5.334 12.523 1.00 0.00 N ATOM 459 CA ASN A 36 6.197 5.926 11.208 1.00 0.00 C ATOM 460 C ASN A 36 5.087 6.947 10.952 1.00 0.00 C ATOM 461 O ASN A 36 4.376 7.342 11.876 1.00 0.00 O ATOM 462 CB ASN A 36 6.123 4.862 10.111 1.00 0.00 C ATOM 463 CG ASN A 36 7.520 4.498 9.606 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.532 4.912 10.148 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.520 3.703 8.540 1.00 0.00 N ATOM 0 H ASN A 36 5.576 4.411 12.518 1.00 0.00 H new ATOM 0 HA ASN A 36 7.179 6.399 11.186 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.628 3.971 10.497 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.517 5.230 9.283 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.403 3.404 8.127 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.637 3.393 8.135 1.00 0.00 H new ATOM 472 N SER A 37 4.972 7.346 9.694 1.00 0.00 N ATOM 473 CA SER A 37 3.962 8.314 9.304 1.00 0.00 C ATOM 474 C SER A 37 3.103 7.747 8.172 1.00 0.00 C ATOM 475 O SER A 37 2.833 8.434 7.188 1.00 0.00 O ATOM 476 CB SER A 37 4.601 9.635 8.873 1.00 0.00 C ATOM 477 OG SER A 37 4.933 9.641 7.487 1.00 0.00 O ATOM 0 H SER A 37 5.563 7.016 8.931 1.00 0.00 H new ATOM 0 HA SER A 37 3.329 8.513 10.168 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.915 10.455 9.085 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.501 9.811 9.462 1.00 0.00 H new ATOM 0 HG SER A 37 4.112 9.597 6.954 1.00 0.00 H new ATOM 483 N TYR A 38 2.696 6.498 8.350 1.00 0.00 N ATOM 484 CA TYR A 38 1.873 5.831 7.356 1.00 0.00 C ATOM 485 C TYR A 38 0.394 5.879 7.746 1.00 0.00 C ATOM 486 O TYR A 38 0.060 5.858 8.931 1.00 0.00 O ATOM 487 CB TYR A 38 2.335 4.372 7.335 1.00 0.00 C ATOM 488 CG TYR A 38 3.738 4.172 6.757 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.750 5.052 7.082 1.00 0.00 C ATOM 490 CD2 TYR A 38 3.990 3.111 5.910 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.070 4.863 6.537 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.309 2.923 5.366 1.00 0.00 C ATOM 493 CZ TYR A 38 6.284 3.808 5.706 1.00 0.00 C ATOM 494 OH TYR A 38 7.531 3.630 5.192 1.00 0.00 O ATOM 0 H TYR A 38 2.921 5.931 9.168 1.00 0.00 H new ATOM 0 HA TYR A 38 1.976 6.316 6.385 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.313 3.980 8.352 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.626 3.785 6.751 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.553 5.882 7.744 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.198 2.423 5.656 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.872 5.544 6.783 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.520 2.097 4.702 1.00 0.00 H new ATOM 0 HH TYR A 38 7.537 2.837 4.616 1.00 0.00 H new ATOM 504 N PRO A 39 -0.474 5.944 6.702 1.00 0.00 N ATOM 505 CA PRO A 39 0.005 5.963 5.330 1.00 0.00 C ATOM 506 C PRO A 39 0.590 7.331 4.974 1.00 0.00 C ATOM 507 O PRO A 39 0.754 8.186 5.843 1.00 0.00 O ATOM 508 CB PRO A 39 -1.205 5.596 4.486 1.00 0.00 C ATOM 509 CG PRO A 39 -2.419 5.838 5.368 1.00 0.00 C ATOM 510 CD PRO A 39 -1.930 5.999 6.799 1.00 0.00 C ATOM 0 HA PRO A 39 0.821 5.261 5.159 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.251 6.205 3.583 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.156 4.555 4.166 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.954 6.731 5.045 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.117 5.004 5.294 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.263 6.945 7.227 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.314 5.206 7.440 1.00 0.00 H new ATOM 518 N HIS A 40 0.888 7.496 3.693 1.00 0.00 N ATOM 519 CA HIS A 40 1.451 8.745 3.210 1.00 0.00 C ATOM 520 C HIS A 40 1.668 8.660 1.698 1.00 0.00 C ATOM 521 O HIS A 40 1.695 7.568 1.132 1.00 0.00 O ATOM 522 CB HIS A 40 2.731 9.095 3.974 1.00 0.00 C ATOM 523 CG HIS A 40 3.887 8.166 3.693 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.687 8.284 2.570 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.369 7.105 4.401 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.606 7.331 2.610 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.407 6.600 3.745 1.00 0.00 N ATOM 0 H HIS A 40 0.750 6.785 2.975 1.00 0.00 H new ATOM 0 HA HIS A 40 0.751 9.560 3.396 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.026 10.113 3.720 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.519 9.082 5.043 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.586 8.985 1.836 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.974 6.738 5.337 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.378 7.162 1.873 1.00 0.00 H new ATOM 0 HE2 HIS A 40 5.964 5.798 4.041 1.00 0.00 H new ATOM 536 N LYS A 41 1.816 9.826 1.088 1.00 0.00 N ATOM 537 CA LYS A 41 2.029 9.899 -0.347 1.00 0.00 C ATOM 538 C LYS A 41 3.000 8.793 -0.770 1.00 0.00 C ATOM 539 O LYS A 41 3.710 8.233 0.063 1.00 0.00 O ATOM 540 CB LYS A 41 2.483 11.303 -0.752 1.00 0.00 C ATOM 541 CG LYS A 41 3.130 11.291 -2.139 1.00 0.00 C ATOM 542 CD LYS A 41 3.636 12.684 -2.520 1.00 0.00 C ATOM 543 CE LYS A 41 5.140 12.665 -2.793 1.00 0.00 C ATOM 544 NZ LYS A 41 5.856 13.516 -1.816 1.00 0.00 N ATOM 0 H LYS A 41 1.793 10.729 1.562 1.00 0.00 H new ATOM 0 HA LYS A 41 1.094 9.726 -0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.629 11.980 -0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.193 11.685 -0.019 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.959 10.583 -2.152 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.407 10.948 -2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.107 13.038 -3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.418 13.387 -1.716 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.513 11.642 -2.735 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.336 13.019 -3.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.876 13.491 -2.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.512 14.495 -1.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.683 13.161 -0.854 1.00 0.00 H new ATOM 558 N TYR A 42 2.997 8.512 -2.066 1.00 0.00 N ATOM 559 CA TYR A 42 3.868 7.483 -2.608 1.00 0.00 C ATOM 560 C TYR A 42 4.285 7.820 -4.042 1.00 0.00 C ATOM 561 O TYR A 42 4.838 6.975 -4.746 1.00 0.00 O ATOM 562 CB TYR A 42 3.043 6.195 -2.620 1.00 0.00 C ATOM 563 CG TYR A 42 3.615 5.097 -3.518 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.251 5.034 -4.848 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.495 4.169 -2.999 1.00 0.00 C ATOM 566 CE1 TYR A 42 3.791 4.000 -5.694 1.00 0.00 C ATOM 567 CE2 TYR A 42 5.034 3.136 -3.845 1.00 0.00 C ATOM 568 CZ TYR A 42 4.655 3.103 -5.151 1.00 0.00 C ATOM 569 OH TYR A 42 5.164 2.127 -5.950 1.00 0.00 O ATOM 0 H TYR A 42 2.406 8.978 -2.755 1.00 0.00 H new ATOM 0 HA TYR A 42 4.775 7.393 -2.010 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.968 5.814 -1.601 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.030 6.428 -2.949 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.562 5.759 -5.254 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.779 4.218 -1.958 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.515 3.939 -6.736 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.724 2.404 -3.452 1.00 0.00 H new ATOM 0 HH TYR A 42 5.713 2.533 -6.653 1.00 0.00 H new ATOM 579 N ASN A 43 4.005 9.054 -4.432 1.00 0.00 N ATOM 580 CA ASN A 43 4.344 9.513 -5.768 1.00 0.00 C ATOM 581 C ASN A 43 5.127 8.417 -6.494 1.00 0.00 C ATOM 582 O ASN A 43 6.357 8.409 -6.473 1.00 0.00 O ATOM 583 CB ASN A 43 5.222 10.764 -5.715 1.00 0.00 C ATOM 584 CG ASN A 43 4.387 12.029 -5.926 1.00 0.00 C ATOM 585 OD1 ASN A 43 3.157 11.954 -5.427 1.00 0.00 O flip ATOM 586 ND2 ASN A 43 4.831 13.007 -6.504 1.00 0.00 N flip ATOM 0 H ASN A 43 3.547 9.751 -3.846 1.00 0.00 H new ATOM 0 HA ASN A 43 3.416 9.746 -6.290 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.730 10.816 -4.752 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.995 10.703 -6.481 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.786 12.997 -6.863 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.248 13.834 -6.628 1.00 0.00 H new ATOM 593 N ASN A 44 4.382 7.517 -7.121 1.00 0.00 N ATOM 594 CA ASN A 44 4.990 6.420 -7.852 1.00 0.00 C ATOM 595 C ASN A 44 5.974 6.981 -8.881 1.00 0.00 C ATOM 596 O ASN A 44 5.941 8.171 -9.191 1.00 0.00 O ATOM 597 CB ASN A 44 3.935 5.605 -8.603 1.00 0.00 C ATOM 598 CG ASN A 44 3.511 6.313 -9.891 1.00 0.00 C ATOM 599 OD1 ASN A 44 4.326 6.100 -10.920 1.00 0.00 O flip ATOM 600 ND2 ASN A 44 2.509 7.006 -9.948 1.00 0.00 N flip ATOM 0 H ASN A 44 3.362 7.526 -7.137 1.00 0.00 H new ATOM 0 HA ASN A 44 5.497 5.777 -7.133 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.333 4.618 -8.840 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.065 5.453 -7.964 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.926 7.128 -9.120 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.254 7.463 -10.824 1.00 0.00 H new ATOM 607 N TYR A 45 6.825 6.098 -9.382 1.00 0.00 N ATOM 608 CA TYR A 45 7.816 6.491 -10.370 1.00 0.00 C ATOM 609 C TYR A 45 8.558 5.271 -10.917 1.00 0.00 C ATOM 610 O TYR A 45 8.821 5.187 -12.117 1.00 0.00 O ATOM 611 CB TYR A 45 8.812 7.391 -9.634 1.00 0.00 C ATOM 612 CG TYR A 45 8.536 8.887 -9.795 1.00 0.00 C ATOM 613 CD1 TYR A 45 7.496 9.314 -10.595 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.327 9.809 -9.142 1.00 0.00 C ATOM 615 CE1 TYR A 45 7.238 10.723 -10.748 1.00 0.00 C ATOM 616 CE2 TYR A 45 9.069 11.217 -9.294 1.00 0.00 C ATOM 617 CZ TYR A 45 8.037 11.605 -10.090 1.00 0.00 C ATOM 618 OH TYR A 45 7.792 12.934 -10.233 1.00 0.00 O ATOM 0 H TYR A 45 6.849 5.112 -9.123 1.00 0.00 H new ATOM 0 HA TYR A 45 7.340 6.995 -11.211 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.796 7.141 -8.573 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.817 7.176 -9.997 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.876 8.592 -11.106 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.141 9.474 -8.516 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.428 11.071 -11.372 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.681 11.949 -8.787 1.00 0.00 H new ATOM 0 HH TYR A 45 8.441 13.445 -9.705 1.00 0.00 H new ATOM 628 N GLU A 46 8.873 4.355 -10.014 1.00 0.00 N ATOM 629 CA GLU A 46 9.579 3.143 -10.392 1.00 0.00 C ATOM 630 C GLU A 46 8.985 2.561 -11.676 1.00 0.00 C ATOM 631 O GLU A 46 9.640 1.784 -12.371 1.00 0.00 O ATOM 632 CB GLU A 46 9.550 2.115 -9.259 1.00 0.00 C ATOM 633 CG GLU A 46 10.076 2.720 -7.956 1.00 0.00 C ATOM 634 CD GLU A 46 10.792 1.664 -7.111 1.00 0.00 C ATOM 635 OE1 GLU A 46 11.112 0.599 -7.684 1.00 0.00 O ATOM 636 OE2 GLU A 46 11.004 1.945 -5.911 1.00 0.00 O ATOM 0 H GLU A 46 8.652 4.428 -9.021 1.00 0.00 H new ATOM 0 HA GLU A 46 10.622 3.398 -10.580 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.530 1.758 -9.113 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.154 1.250 -9.532 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.762 3.537 -8.181 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.248 3.145 -7.388 1.00 0.00 H new ATOM 643 N GLY A 47 7.752 2.959 -11.953 1.00 0.00 N ATOM 644 CA GLY A 47 7.063 2.486 -13.141 1.00 0.00 C ATOM 645 C GLY A 47 5.809 1.692 -12.768 1.00 0.00 C ATOM 646 O GLY A 47 5.658 0.539 -13.170 1.00 0.00 O ATOM 0 H GLY A 47 7.213 3.604 -11.375 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.788 3.334 -13.768 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.733 1.859 -13.729 1.00 0.00 H new ATOM 650 N PHE A 48 4.943 2.340 -12.004 1.00 0.00 N ATOM 651 CA PHE A 48 3.707 1.708 -11.572 1.00 0.00 C ATOM 652 C PHE A 48 2.515 2.226 -12.381 1.00 0.00 C ATOM 653 O PHE A 48 2.380 3.430 -12.592 1.00 0.00 O ATOM 654 CB PHE A 48 3.508 2.076 -10.101 1.00 0.00 C ATOM 655 CG PHE A 48 4.528 1.438 -9.156 1.00 0.00 C ATOM 656 CD1 PHE A 48 4.340 0.166 -8.711 1.00 0.00 C ATOM 657 CD2 PHE A 48 5.623 2.141 -8.761 1.00 0.00 C ATOM 658 CE1 PHE A 48 5.287 -0.427 -7.835 1.00 0.00 C ATOM 659 CE2 PHE A 48 6.569 1.548 -7.885 1.00 0.00 C ATOM 660 CZ PHE A 48 6.382 0.277 -7.440 1.00 0.00 C ATOM 0 H PHE A 48 5.072 3.296 -11.673 1.00 0.00 H new ATOM 0 HA PHE A 48 3.769 0.629 -11.717 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.561 3.160 -9.998 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.506 1.775 -9.794 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.470 -0.393 -9.024 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.773 3.151 -9.114 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.138 -1.437 -7.482 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.438 2.107 -7.572 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.102 -0.174 -6.773 1.00 0.00 H new ATOM 670 N ASP A 49 1.682 1.290 -12.811 1.00 0.00 N ATOM 671 CA ASP A 49 0.507 1.636 -13.592 1.00 0.00 C ATOM 672 C ASP A 49 -0.735 1.550 -12.702 1.00 0.00 C ATOM 673 O ASP A 49 -1.573 0.669 -12.884 1.00 0.00 O ATOM 674 CB ASP A 49 0.318 0.669 -14.762 1.00 0.00 C ATOM 675 CG ASP A 49 1.609 0.060 -15.312 1.00 0.00 C ATOM 676 OD1 ASP A 49 2.639 0.766 -15.253 1.00 0.00 O ATOM 677 OD2 ASP A 49 1.537 -1.096 -15.781 1.00 0.00 O ATOM 0 H ASP A 49 1.798 0.292 -12.633 1.00 0.00 H new ATOM 0 HA ASP A 49 0.645 2.646 -13.978 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.340 -0.139 -14.443 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.191 1.195 -15.570 1.00 0.00 H new ATOM 682 N PHE A 50 -0.814 2.478 -11.760 1.00 0.00 N ATOM 683 CA PHE A 50 -1.938 2.518 -10.841 1.00 0.00 C ATOM 684 C PHE A 50 -3.225 2.921 -11.566 1.00 0.00 C ATOM 685 O PHE A 50 -3.296 3.996 -12.159 1.00 0.00 O ATOM 686 CB PHE A 50 -1.613 3.572 -9.780 1.00 0.00 C ATOM 687 CG PHE A 50 -0.429 3.206 -8.883 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.022 1.924 -8.841 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.172 4.164 -8.128 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.121 1.585 -8.007 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.272 3.826 -7.296 1.00 0.00 C ATOM 692 CZ PHE A 50 1.722 2.543 -7.253 1.00 0.00 C ATOM 0 H PHE A 50 -0.117 3.208 -11.613 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.093 1.533 -10.401 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.401 4.519 -10.276 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.493 3.729 -9.157 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.455 1.164 -9.441 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.187 5.182 -8.161 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.479 0.567 -7.972 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.751 4.587 -6.698 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.558 2.285 -6.619 1.00 0.00 H new ATOM 702 N SER A 51 -4.209 2.036 -11.494 1.00 0.00 N ATOM 703 CA SER A 51 -5.488 2.287 -12.137 1.00 0.00 C ATOM 704 C SER A 51 -6.306 3.275 -11.304 1.00 0.00 C ATOM 705 O SER A 51 -7.529 3.331 -11.425 1.00 0.00 O ATOM 706 CB SER A 51 -6.269 0.986 -12.334 1.00 0.00 C ATOM 707 OG SER A 51 -6.600 0.369 -11.094 1.00 0.00 O ATOM 0 H SER A 51 -4.146 1.145 -11.001 1.00 0.00 H new ATOM 0 HA SER A 51 -5.299 2.719 -13.120 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.183 1.193 -12.891 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.678 0.296 -12.936 1.00 0.00 H new ATOM 0 HG SER A 51 -7.099 -0.457 -11.263 1.00 0.00 H new ATOM 713 N VAL A 52 -5.599 4.032 -10.478 1.00 0.00 N ATOM 714 CA VAL A 52 -6.245 5.016 -9.626 1.00 0.00 C ATOM 715 C VAL A 52 -5.570 6.375 -9.821 1.00 0.00 C ATOM 716 O VAL A 52 -4.367 6.445 -10.073 1.00 0.00 O ATOM 717 CB VAL A 52 -6.225 4.542 -8.171 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.810 3.135 -8.045 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.810 4.601 -7.594 1.00 0.00 C ATOM 0 H VAL A 52 -4.585 3.984 -10.381 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.293 5.131 -9.902 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.852 5.219 -7.590 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.784 2.822 -7.001 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.841 3.137 -8.398 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.222 2.441 -8.646 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.824 4.259 -6.559 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.151 3.959 -8.179 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.444 5.627 -7.632 1.00 0.00 H new ATOM 729 N SER A 53 -6.373 7.422 -9.698 1.00 0.00 N ATOM 730 CA SER A 53 -5.868 8.776 -9.858 1.00 0.00 C ATOM 731 C SER A 53 -5.294 9.280 -8.532 1.00 0.00 C ATOM 732 O SER A 53 -5.900 9.091 -7.478 1.00 0.00 O ATOM 733 CB SER A 53 -6.966 9.717 -10.354 1.00 0.00 C ATOM 734 OG SER A 53 -7.515 9.290 -11.598 1.00 0.00 O ATOM 0 H SER A 53 -7.370 7.360 -9.489 1.00 0.00 H new ATOM 0 HA SER A 53 -5.076 8.760 -10.606 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.759 9.773 -9.608 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.559 10.722 -10.463 1.00 0.00 H new ATOM 0 HG SER A 53 -8.214 9.917 -11.879 1.00 0.00 H new ATOM 740 N SER A 54 -4.135 9.912 -8.629 1.00 0.00 N ATOM 741 CA SER A 54 -3.473 10.446 -7.450 1.00 0.00 C ATOM 742 C SER A 54 -4.501 11.092 -6.521 1.00 0.00 C ATOM 743 O SER A 54 -5.643 11.322 -6.915 1.00 0.00 O ATOM 744 CB SER A 54 -2.394 11.460 -7.836 1.00 0.00 C ATOM 745 OG SER A 54 -2.785 12.257 -8.951 1.00 0.00 O ATOM 0 H SER A 54 -3.636 10.067 -9.505 1.00 0.00 H new ATOM 0 HA SER A 54 -2.988 9.622 -6.927 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.183 12.107 -6.984 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.470 10.933 -8.073 1.00 0.00 H new ATOM 0 HG SER A 54 -2.071 12.893 -9.165 1.00 0.00 H new ATOM 751 N PRO A 55 -4.048 11.373 -5.269 1.00 0.00 N ATOM 752 CA PRO A 55 -2.682 11.068 -4.882 1.00 0.00 C ATOM 753 C PRO A 55 -2.500 9.567 -4.648 1.00 0.00 C ATOM 754 O PRO A 55 -3.462 8.804 -4.712 1.00 0.00 O ATOM 755 CB PRO A 55 -2.431 11.898 -3.634 1.00 0.00 C ATOM 756 CG PRO A 55 -3.804 12.278 -3.103 1.00 0.00 C ATOM 757 CD PRO A 55 -4.822 11.987 -4.194 1.00 0.00 C ATOM 0 HA PRO A 55 -1.960 11.315 -5.660 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.869 11.329 -2.893 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.843 12.786 -3.867 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.036 11.709 -2.203 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.829 13.333 -2.829 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.604 11.317 -3.837 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.313 12.900 -4.531 1.00 0.00 H new ATOM 765 N TYR A 56 -1.258 9.188 -4.381 1.00 0.00 N ATOM 766 CA TYR A 56 -0.938 7.792 -4.137 1.00 0.00 C ATOM 767 C TYR A 56 -0.452 7.585 -2.701 1.00 0.00 C ATOM 768 O TYR A 56 0.651 8.000 -2.349 1.00 0.00 O ATOM 769 CB TYR A 56 0.196 7.444 -5.103 1.00 0.00 C ATOM 770 CG TYR A 56 -0.198 7.521 -6.579 1.00 0.00 C ATOM 771 CD1 TYR A 56 -1.431 7.056 -6.989 1.00 0.00 C ATOM 772 CD2 TYR A 56 0.681 8.054 -7.501 1.00 0.00 C ATOM 773 CE1 TYR A 56 -1.802 7.129 -8.379 1.00 0.00 C ATOM 774 CE2 TYR A 56 0.310 8.125 -8.890 1.00 0.00 C ATOM 775 CZ TYR A 56 -0.913 7.660 -9.260 1.00 0.00 C ATOM 776 OH TYR A 56 -1.262 7.728 -10.573 1.00 0.00 O ATOM 0 H TYR A 56 -0.462 9.824 -4.328 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.817 7.165 -4.283 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.032 8.121 -4.925 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.550 6.436 -4.884 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.118 6.638 -6.268 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.646 8.417 -7.180 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.764 6.770 -8.714 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.988 8.538 -9.622 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.530 8.131 -11.086 1.00 0.00 H new ATOM 786 N TYR A 57 -1.299 6.940 -1.910 1.00 0.00 N ATOM 787 CA TYR A 57 -0.970 6.673 -0.521 1.00 0.00 C ATOM 788 C TYR A 57 -0.370 5.274 -0.359 1.00 0.00 C ATOM 789 O TYR A 57 -1.012 4.278 -0.692 1.00 0.00 O ATOM 790 CB TYR A 57 -2.291 6.740 0.246 1.00 0.00 C ATOM 791 CG TYR A 57 -3.047 8.058 0.069 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.375 9.189 -0.350 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.401 8.118 0.327 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.086 10.429 -0.518 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.113 9.358 0.160 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.420 10.453 -0.254 1.00 0.00 C ATOM 797 OH TYR A 57 -5.092 11.625 -0.411 1.00 0.00 O ATOM 0 H TYR A 57 -2.212 6.595 -2.206 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.238 7.392 -0.155 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.930 5.920 -0.080 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.092 6.587 1.307 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.315 9.143 -0.552 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.927 7.234 0.655 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.572 11.320 -0.846 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.173 9.418 0.359 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.632 11.802 0.387 1.00 0.00 H new ATOM 807 N GLU A 58 0.852 5.244 0.151 1.00 0.00 N ATOM 808 CA GLU A 58 1.544 3.983 0.361 1.00 0.00 C ATOM 809 C GLU A 58 1.231 3.431 1.752 1.00 0.00 C ATOM 810 O GLU A 58 1.476 4.095 2.758 1.00 0.00 O ATOM 811 CB GLU A 58 3.052 4.147 0.162 1.00 0.00 C ATOM 812 CG GLU A 58 3.606 5.255 1.060 1.00 0.00 C ATOM 813 CD GLU A 58 5.136 5.224 1.088 1.00 0.00 C ATOM 814 OE1 GLU A 58 5.733 5.902 0.224 1.00 0.00 O ATOM 815 OE2 GLU A 58 5.673 4.524 1.973 1.00 0.00 O ATOM 0 H GLU A 58 1.381 6.072 0.425 1.00 0.00 H new ATOM 0 HA GLU A 58 1.188 3.267 -0.380 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.556 3.207 0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.261 4.381 -0.882 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.265 6.225 0.699 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.218 5.137 2.072 1.00 0.00 H new ATOM 822 N TRP A 59 0.692 2.220 1.766 1.00 0.00 N ATOM 823 CA TRP A 59 0.344 1.570 3.018 1.00 0.00 C ATOM 824 C TRP A 59 0.781 0.107 2.929 1.00 0.00 C ATOM 825 O TRP A 59 0.752 -0.490 1.853 1.00 0.00 O ATOM 826 CB TRP A 59 -1.148 1.731 3.321 1.00 0.00 C ATOM 827 CG TRP A 59 -1.643 0.867 4.483 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.231 -0.336 4.425 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.570 1.191 5.887 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.540 -0.809 5.684 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.125 0.149 6.601 1.00 0.00 C ATOM 832 CE3 TRP A 59 -1.050 2.327 6.533 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.215 0.139 7.999 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -1.148 2.301 7.930 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.703 1.260 8.663 1.00 0.00 C ATOM 0 H TRP A 59 0.488 1.672 0.930 1.00 0.00 H new ATOM 0 HA TRP A 59 0.864 2.038 3.854 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.352 2.778 3.547 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.719 1.481 2.427 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.437 -0.868 3.508 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.990 -1.698 5.901 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.610 3.154 5.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.655 -0.689 8.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.765 3.151 8.476 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.739 1.315 9.741 1.00 0.00 H new ATOM 846 N PRO A 60 1.186 -0.444 4.105 1.00 0.00 N ATOM 847 CA PRO A 60 1.629 -1.827 4.170 1.00 0.00 C ATOM 848 C PRO A 60 0.441 -2.788 4.090 1.00 0.00 C ATOM 849 O PRO A 60 -0.677 -2.430 4.456 1.00 0.00 O ATOM 850 CB PRO A 60 2.392 -1.934 5.480 1.00 0.00 C ATOM 851 CG PRO A 60 1.954 -0.741 6.316 1.00 0.00 C ATOM 852 CD PRO A 60 1.233 0.232 5.398 1.00 0.00 C ATOM 0 HA PRO A 60 2.265 -2.105 3.330 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.166 -2.871 5.988 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.468 -1.916 5.308 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.297 -1.062 7.124 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.817 -0.262 6.778 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.231 0.454 5.765 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.765 1.181 5.330 1.00 0.00 H new ATOM 860 N ILE A 61 0.724 -3.988 3.607 1.00 0.00 N ATOM 861 CA ILE A 61 -0.306 -5.003 3.474 1.00 0.00 C ATOM 862 C ILE A 61 0.091 -6.238 4.284 1.00 0.00 C ATOM 863 O ILE A 61 1.084 -6.896 3.974 1.00 0.00 O ATOM 864 CB ILE A 61 -0.581 -5.299 1.998 1.00 0.00 C ATOM 865 CG1 ILE A 61 -1.907 -6.040 1.824 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.588 -6.059 1.365 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.323 -6.081 0.352 1.00 0.00 C ATOM 0 H ILE A 61 1.653 -4.280 3.303 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.249 -4.642 3.884 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.672 -4.349 1.471 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.813 -7.056 2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.682 -5.548 2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.368 -6.257 0.316 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.495 -5.458 1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.735 -7.003 1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.269 -6.614 0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.440 -5.064 -0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.557 -6.595 -0.228 1.00 0.00 H new ATOM 879 N LEU A 62 -0.702 -6.516 5.309 1.00 0.00 N ATOM 880 CA LEU A 62 -0.445 -7.660 6.166 1.00 0.00 C ATOM 881 C LEU A 62 -1.099 -8.904 5.560 1.00 0.00 C ATOM 882 O LEU A 62 -2.304 -8.919 5.314 1.00 0.00 O ATOM 883 CB LEU A 62 -0.893 -7.367 7.599 1.00 0.00 C ATOM 884 CG LEU A 62 -0.076 -6.319 8.356 1.00 0.00 C ATOM 885 CD1 LEU A 62 -0.884 -5.719 9.508 1.00 0.00 C ATOM 886 CD2 LEU A 62 1.256 -6.901 8.833 1.00 0.00 C ATOM 0 H LEU A 62 -1.523 -5.968 5.565 1.00 0.00 H new ATOM 0 HA LEU A 62 0.625 -7.859 6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.932 -7.040 7.574 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.866 -8.298 8.165 1.00 0.00 H new ATOM 0 HG LEU A 62 0.156 -5.506 7.668 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.279 -4.977 10.029 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.782 -5.243 9.114 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.168 -6.509 10.203 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.817 -6.135 9.368 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.067 -7.744 9.498 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.834 -7.240 7.973 1.00 0.00 H new ATOM 898 N SER A 63 -0.275 -9.917 5.335 1.00 0.00 N ATOM 899 CA SER A 63 -0.758 -11.162 4.762 1.00 0.00 C ATOM 900 C SER A 63 -1.694 -11.863 5.749 1.00 0.00 C ATOM 901 O SER A 63 -2.252 -12.915 5.439 1.00 0.00 O ATOM 902 CB SER A 63 0.404 -12.083 4.388 1.00 0.00 C ATOM 903 OG SER A 63 0.690 -13.028 5.415 1.00 0.00 O ATOM 0 H SER A 63 0.724 -9.901 5.539 1.00 0.00 H new ATOM 0 HA SER A 63 -1.309 -10.929 3.851 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.164 -12.612 3.466 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.292 -11.483 4.190 1.00 0.00 H new ATOM 0 HG SER A 63 1.437 -13.598 5.136 1.00 0.00 H new ATOM 909 N SER A 64 -1.837 -11.253 6.916 1.00 0.00 N ATOM 910 CA SER A 64 -2.696 -11.806 7.949 1.00 0.00 C ATOM 911 C SER A 64 -4.079 -11.155 7.883 1.00 0.00 C ATOM 912 O SER A 64 -5.038 -11.668 8.458 1.00 0.00 O ATOM 913 CB SER A 64 -2.083 -11.611 9.337 1.00 0.00 C ATOM 914 OG SER A 64 -1.255 -12.707 9.715 1.00 0.00 O ATOM 0 H SER A 64 -1.372 -10.381 7.169 1.00 0.00 H new ATOM 0 HA SER A 64 -2.797 -12.877 7.773 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.496 -10.693 9.348 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.880 -11.489 10.071 1.00 0.00 H new ATOM 0 HG SER A 64 -0.882 -12.543 10.606 1.00 0.00 H new ATOM 920 N GLY A 65 -4.138 -10.036 7.177 1.00 0.00 N ATOM 921 CA GLY A 65 -5.388 -9.310 7.028 1.00 0.00 C ATOM 922 C GLY A 65 -5.631 -8.385 8.223 1.00 0.00 C ATOM 923 O GLY A 65 -6.759 -8.257 8.695 1.00 0.00 O ATOM 0 H GLY A 65 -3.340 -9.614 6.702 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.365 -8.724 6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.214 -10.016 6.936 1.00 0.00 H new ATOM 927 N ASP A 66 -4.552 -7.764 8.678 1.00 0.00 N ATOM 928 CA ASP A 66 -4.634 -6.856 9.809 1.00 0.00 C ATOM 929 C ASP A 66 -4.334 -5.432 9.336 1.00 0.00 C ATOM 930 O ASP A 66 -4.203 -5.187 8.138 1.00 0.00 O ATOM 931 CB ASP A 66 -3.609 -7.221 10.885 1.00 0.00 C ATOM 932 CG ASP A 66 -3.825 -8.583 11.548 1.00 0.00 C ATOM 933 OD1 ASP A 66 -4.195 -9.522 10.809 1.00 0.00 O ATOM 934 OD2 ASP A 66 -3.615 -8.656 12.778 1.00 0.00 O ATOM 0 H ASP A 66 -3.617 -7.872 8.284 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.638 -6.929 10.227 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.615 -7.204 10.439 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.625 -6.451 11.657 1.00 0.00 H new ATOM 939 N VAL A 67 -4.236 -4.530 10.302 1.00 0.00 N ATOM 940 CA VAL A 67 -3.956 -3.136 9.999 1.00 0.00 C ATOM 941 C VAL A 67 -2.599 -2.755 10.592 1.00 0.00 C ATOM 942 O VAL A 67 -2.477 -2.559 11.801 1.00 0.00 O ATOM 943 CB VAL A 67 -5.099 -2.252 10.501 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.647 -0.796 10.634 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.322 -2.365 9.590 1.00 0.00 C ATOM 0 H VAL A 67 -4.345 -4.737 11.295 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.895 -2.982 8.922 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.386 -2.606 11.491 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.478 -0.188 10.992 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.821 -0.735 11.342 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.320 -0.426 9.662 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.119 -1.726 9.970 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.055 -2.050 8.581 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.665 -3.399 9.568 1.00 0.00 H new ATOM 955 N TYR A 68 -1.611 -2.658 9.714 1.00 0.00 N ATOM 956 CA TYR A 68 -0.266 -2.303 10.135 1.00 0.00 C ATOM 957 C TYR A 68 -0.293 -1.136 11.125 1.00 0.00 C ATOM 958 O TYR A 68 -0.487 0.012 10.731 1.00 0.00 O ATOM 959 CB TYR A 68 0.470 -1.865 8.869 1.00 0.00 C ATOM 960 CG TYR A 68 1.714 -1.013 9.135 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.818 -1.577 9.741 1.00 0.00 C ATOM 962 CD2 TYR A 68 1.730 0.317 8.768 1.00 0.00 C ATOM 963 CE1 TYR A 68 3.988 -0.775 9.991 1.00 0.00 C ATOM 964 CE2 TYR A 68 2.901 1.118 9.018 1.00 0.00 C ATOM 965 CZ TYR A 68 3.971 0.532 9.617 1.00 0.00 C ATOM 966 OH TYR A 68 5.076 1.290 9.854 1.00 0.00 O ATOM 0 H TYR A 68 -1.715 -2.819 8.712 1.00 0.00 H new ATOM 0 HA TYR A 68 0.218 -3.146 10.629 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.763 -2.751 8.306 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.217 -1.300 8.239 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.805 -2.618 10.027 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.865 0.757 8.294 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.859 -1.202 10.465 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.928 2.160 8.736 1.00 0.00 H new ATOM 0 HH TYR A 68 4.840 2.037 10.443 1.00 0.00 H new ATOM 976 N SER A 69 -0.095 -1.472 12.391 1.00 0.00 N ATOM 977 CA SER A 69 -0.093 -0.467 13.441 1.00 0.00 C ATOM 978 C SER A 69 1.313 -0.323 14.025 1.00 0.00 C ATOM 979 O SER A 69 1.478 -0.248 15.242 1.00 0.00 O ATOM 980 CB SER A 69 -1.093 -0.821 14.543 1.00 0.00 C ATOM 981 OG SER A 69 -0.584 -1.815 15.427 1.00 0.00 O ATOM 0 H SER A 69 0.065 -2.426 12.714 1.00 0.00 H new ATOM 0 HA SER A 69 -0.396 0.485 13.005 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.340 0.076 15.110 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.019 -1.177 14.091 1.00 0.00 H new ATOM 0 HG SER A 69 0.290 -1.533 15.768 1.00 0.00 H new ATOM 987 N GLY A 70 2.290 -0.290 13.132 1.00 0.00 N ATOM 988 CA GLY A 70 3.678 -0.156 13.544 1.00 0.00 C ATOM 989 C GLY A 70 4.445 0.768 12.596 1.00 0.00 C ATOM 990 O GLY A 70 3.842 1.555 11.869 1.00 0.00 O ATOM 0 H GLY A 70 2.149 -0.354 12.124 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.723 0.240 14.559 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.152 -1.138 13.563 1.00 0.00 H new ATOM 994 N GLY A 71 5.763 0.641 12.636 1.00 0.00 N ATOM 995 CA GLY A 71 6.619 1.455 11.790 1.00 0.00 C ATOM 996 C GLY A 71 7.326 0.596 10.738 1.00 0.00 C ATOM 997 O GLY A 71 7.732 1.100 9.693 1.00 0.00 O ATOM 0 H GLY A 71 6.259 -0.013 13.241 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.024 2.224 11.297 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.360 1.969 12.403 1.00 0.00 H new ATOM 1001 N SER A 72 7.452 -0.684 11.053 1.00 0.00 N ATOM 1002 CA SER A 72 8.103 -1.617 10.149 1.00 0.00 C ATOM 1003 C SER A 72 7.139 -2.745 9.778 1.00 0.00 C ATOM 1004 O SER A 72 7.086 -3.769 10.457 1.00 0.00 O ATOM 1005 CB SER A 72 9.377 -2.190 10.773 1.00 0.00 C ATOM 1006 OG SER A 72 10.509 -1.357 10.539 1.00 0.00 O ATOM 0 H SER A 72 7.114 -1.098 11.922 1.00 0.00 H new ATOM 0 HA SER A 72 8.385 -1.077 9.245 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.232 -2.311 11.847 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.566 -3.182 10.363 1.00 0.00 H new ATOM 0 HG SER A 72 11.301 -1.757 10.955 1.00 0.00 H new ATOM 1012 N PRO A 73 6.381 -2.513 8.672 1.00 0.00 N ATOM 1013 CA PRO A 73 5.422 -3.498 8.203 1.00 0.00 C ATOM 1014 C PRO A 73 6.129 -4.667 7.514 1.00 0.00 C ATOM 1015 O PRO A 73 6.322 -5.722 8.118 1.00 0.00 O ATOM 1016 CB PRO A 73 4.497 -2.732 7.271 1.00 0.00 C ATOM 1017 CG PRO A 73 5.244 -1.464 6.890 1.00 0.00 C ATOM 1018 CD PRO A 73 6.417 -1.312 7.844 1.00 0.00 C ATOM 0 HA PRO A 73 4.858 -3.957 9.015 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.256 -3.323 6.388 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.554 -2.496 7.764 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.595 -1.522 5.860 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.585 -0.598 6.954 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.360 -1.233 7.303 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.320 -0.411 8.450 1.00 0.00 H new ATOM 1026 N GLY A 74 6.497 -4.441 6.262 1.00 0.00 N ATOM 1027 CA GLY A 74 7.178 -5.462 5.486 1.00 0.00 C ATOM 1028 C GLY A 74 7.233 -5.081 4.005 1.00 0.00 C ATOM 1029 O GLY A 74 6.660 -4.071 3.600 1.00 0.00 O ATOM 0 H GLY A 74 6.336 -3.565 5.765 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.190 -5.599 5.868 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.662 -6.415 5.601 1.00 0.00 H new ATOM 1033 N ALA A 75 7.929 -5.909 3.240 1.00 0.00 N ATOM 1034 CA ALA A 75 8.066 -5.671 1.812 1.00 0.00 C ATOM 1035 C ALA A 75 6.686 -5.405 1.208 1.00 0.00 C ATOM 1036 O ALA A 75 6.500 -4.429 0.483 1.00 0.00 O ATOM 1037 CB ALA A 75 8.767 -6.865 1.161 1.00 0.00 C ATOM 0 H ALA A 75 8.404 -6.745 3.581 1.00 0.00 H new ATOM 0 HA ALA A 75 8.681 -4.790 1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.870 -6.687 0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.755 -6.993 1.604 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.177 -7.767 1.324 1.00 0.00 H new ATOM 1043 N ASP A 76 5.753 -6.289 1.532 1.00 0.00 N ATOM 1044 CA ASP A 76 4.395 -6.161 1.030 1.00 0.00 C ATOM 1045 C ASP A 76 3.827 -4.805 1.451 1.00 0.00 C ATOM 1046 O ASP A 76 3.829 -4.466 2.634 1.00 0.00 O ATOM 1047 CB ASP A 76 3.491 -7.252 1.606 1.00 0.00 C ATOM 1048 CG ASP A 76 4.108 -8.653 1.640 1.00 0.00 C ATOM 1049 OD1 ASP A 76 4.897 -8.947 0.716 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.776 -9.396 2.589 1.00 0.00 O ATOM 0 H ASP A 76 5.911 -7.096 2.135 1.00 0.00 H new ATOM 0 HA ASP A 76 4.426 -6.254 -0.056 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.209 -6.971 2.621 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.573 -7.290 1.019 1.00 0.00 H new ATOM 1055 N ARG A 77 3.351 -4.065 0.459 1.00 0.00 N ATOM 1056 CA ARG A 77 2.780 -2.753 0.711 1.00 0.00 C ATOM 1057 C ARG A 77 1.675 -2.452 -0.302 1.00 0.00 C ATOM 1058 O ARG A 77 1.758 -2.863 -1.458 1.00 0.00 O ATOM 1059 CB ARG A 77 3.849 -1.662 0.629 1.00 0.00 C ATOM 1060 CG ARG A 77 5.009 -1.958 1.582 1.00 0.00 C ATOM 1061 CD ARG A 77 4.847 -1.198 2.899 1.00 0.00 C ATOM 1062 NE ARG A 77 6.048 -0.373 3.159 1.00 0.00 N ATOM 1063 CZ ARG A 77 7.061 -0.751 3.952 1.00 0.00 C ATOM 1064 NH1 ARG A 77 7.023 -1.941 4.565 1.00 0.00 N ATOM 1065 NH2 ARG A 77 8.110 0.063 4.131 1.00 0.00 N ATOM 0 H ARG A 77 3.349 -4.350 -0.520 1.00 0.00 H new ATOM 0 HA ARG A 77 2.362 -2.761 1.718 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.222 -1.590 -0.393 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.408 -0.696 0.876 1.00 0.00 H new ATOM 0 HG2 ARG A 77 5.057 -3.029 1.780 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.951 -1.679 1.111 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.962 -0.563 2.855 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.695 -1.901 3.718 1.00 0.00 H new ATOM 0 HE ARG A 77 6.109 0.539 2.707 1.00 0.00 H new ATOM 0 HH11 ARG A 77 6.224 -2.560 4.429 1.00 0.00 H new ATOM 0 HH12 ARG A 77 7.793 -2.229 5.168 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.138 0.970 3.664 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.881 -0.224 4.734 1.00 0.00 H new ATOM 1079 N VAL A 78 0.664 -1.736 0.168 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.457 -1.374 -0.683 1.00 0.00 C ATOM 1081 C VAL A 78 -0.456 0.140 -0.905 1.00 0.00 C ATOM 1082 O VAL A 78 -0.260 0.909 0.034 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.763 -1.888 -0.074 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -1.708 -1.848 1.454 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -2.962 -1.097 -0.602 1.00 0.00 C ATOM 0 H VAL A 78 0.598 -1.397 1.128 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.362 -1.846 -1.661 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.889 -2.928 -0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.649 -2.218 1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.888 -2.475 1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.548 -0.822 1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.878 -1.482 -0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.846 -0.045 -0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.017 -1.200 -1.686 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.676 0.522 -2.155 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.703 1.930 -2.512 1.00 0.00 C ATOM 1097 C VAL A 79 -2.116 2.312 -2.957 1.00 0.00 C ATOM 1098 O VAL A 79 -2.754 1.577 -3.708 1.00 0.00 O ATOM 1099 CB VAL A 79 0.358 2.221 -3.576 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.259 3.666 -4.068 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.761 1.915 -3.049 1.00 0.00 C ATOM 0 H VAL A 79 -0.837 -0.119 -2.932 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.456 2.547 -1.648 1.00 0.00 H new ATOM 0 HB VAL A 79 0.170 1.565 -4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.024 3.846 -4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.726 3.836 -4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.409 4.347 -3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.496 2.130 -3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.964 2.533 -2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.824 0.863 -2.772 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.563 3.463 -2.474 1.00 0.00 N ATOM 1112 CA PHE A 80 -3.889 3.951 -2.812 1.00 0.00 C ATOM 1113 C PHE A 80 -3.948 5.478 -2.733 1.00 0.00 C ATOM 1114 O PHE A 80 -3.098 6.104 -2.100 1.00 0.00 O ATOM 1115 CB PHE A 80 -4.859 3.362 -1.786 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.832 4.067 -0.428 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.734 3.968 0.368 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.907 4.791 -0.017 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.709 4.622 1.628 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.882 5.446 1.243 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.784 5.348 2.039 1.00 0.00 C ATOM 0 H PHE A 80 -2.030 4.071 -1.852 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.145 3.656 -3.830 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.871 3.410 -2.189 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.623 2.308 -1.641 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.881 3.392 0.042 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.780 4.868 -0.649 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.837 4.543 2.260 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.735 6.022 1.569 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.765 5.846 2.997 1.00 0.00 H new ATOM 1131 N ASN A 81 -4.959 6.034 -3.384 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.138 7.476 -3.396 1.00 0.00 C ATOM 1133 C ASN A 81 -6.303 7.847 -2.474 1.00 0.00 C ATOM 1134 O ASN A 81 -6.193 7.741 -1.255 1.00 0.00 O ATOM 1135 CB ASN A 81 -5.470 7.978 -4.802 1.00 0.00 C ATOM 1136 CG ASN A 81 -6.954 8.328 -4.924 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -7.342 9.482 -4.998 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -7.759 7.270 -4.942 1.00 0.00 N ATOM 0 H ASN A 81 -5.662 5.512 -3.907 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.208 7.935 -3.060 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.866 8.856 -5.030 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.212 7.214 -5.535 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.768 7.398 -5.022 1.00 0.00 H new ATOM 1145 N GLU A 82 -7.394 8.274 -3.095 1.00 0.00 N ATOM 1146 CA GLU A 82 -8.576 8.661 -2.347 1.00 0.00 C ATOM 1147 C GLU A 82 -8.770 7.737 -1.142 1.00 0.00 C ATOM 1148 O GLU A 82 -8.708 8.182 0.002 1.00 0.00 O ATOM 1149 CB GLU A 82 -9.817 8.660 -3.243 1.00 0.00 C ATOM 1150 CG GLU A 82 -11.079 8.967 -2.434 1.00 0.00 C ATOM 1151 CD GLU A 82 -11.992 9.936 -3.189 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -11.559 11.093 -3.376 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -13.101 9.497 -3.560 1.00 0.00 O ATOM 0 H GLU A 82 -7.483 8.360 -4.108 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.432 9.678 -1.981 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.699 9.400 -4.034 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.919 7.689 -3.728 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.617 8.042 -2.227 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.803 9.397 -1.471 1.00 0.00 H new ATOM 1160 N ASN A 83 -8.999 6.468 -1.442 1.00 0.00 N ATOM 1161 CA ASN A 83 -9.200 5.476 -0.399 1.00 0.00 C ATOM 1162 C ASN A 83 -9.041 4.076 -0.994 1.00 0.00 C ATOM 1163 O ASN A 83 -8.006 3.436 -0.814 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.607 5.580 0.195 1.00 0.00 C ATOM 1165 CG ASN A 83 -11.615 6.040 -0.861 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -11.244 5.784 -2.111 1.00 0.00 O flip ATOM 1167 ND2 ASN A 83 -12.661 6.592 -0.559 1.00 0.00 N flip ATOM 0 H ASN A 83 -9.050 6.103 -2.393 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.463 5.656 0.384 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -10.910 4.612 0.594 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -10.603 6.282 1.029 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -12.885 6.758 0.422 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -13.311 6.887 -1.288 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.081 3.641 -1.689 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.069 2.328 -2.311 1.00 0.00 C ATOM 1176 C ASN A 84 -9.409 2.427 -3.688 1.00 0.00 C ATOM 1177 O ASN A 84 -9.661 1.598 -4.561 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.491 1.797 -2.506 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.123 2.375 -3.774 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -12.131 1.761 -4.829 1.00 0.00 O ATOM 1181 ND2 ASN A 84 -12.650 3.585 -3.613 1.00 0.00 N ATOM 0 H ASN A 84 -10.938 4.174 -1.835 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.518 1.651 -1.658 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.471 0.709 -2.569 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.101 2.056 -1.641 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.096 4.056 -4.400 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -12.609 4.042 -2.702 1.00 0.00 H new ATOM 1188 N GLN A 85 -8.577 3.447 -3.838 1.00 0.00 N ATOM 1189 CA GLN A 85 -7.879 3.663 -5.093 1.00 0.00 C ATOM 1190 C GLN A 85 -6.610 2.811 -5.150 1.00 0.00 C ATOM 1191 O GLN A 85 -5.627 3.194 -5.783 1.00 0.00 O ATOM 1192 CB GLN A 85 -7.553 5.146 -5.290 1.00 0.00 C ATOM 1193 CG GLN A 85 -7.810 5.939 -4.007 1.00 0.00 C ATOM 1194 CD GLN A 85 -7.198 5.233 -2.794 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -6.276 5.720 -2.161 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -7.762 4.063 -2.509 1.00 0.00 N ATOM 0 H GLN A 85 -8.371 4.132 -3.111 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.535 3.356 -5.908 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.510 5.256 -5.587 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.160 5.551 -6.100 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.387 6.939 -4.102 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.883 6.060 -3.859 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.531 3.715 -3.081 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.426 3.514 -1.718 1.00 0.00 H new ATOM 1205 N LEU A 86 -6.671 1.670 -4.479 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.539 0.761 -4.444 1.00 0.00 C ATOM 1207 C LEU A 86 -4.710 0.935 -5.718 1.00 0.00 C ATOM 1208 O LEU A 86 -5.182 0.642 -6.815 1.00 0.00 O ATOM 1209 CB LEU A 86 -6.014 -0.676 -4.212 1.00 0.00 C ATOM 1210 CG LEU A 86 -5.401 -1.741 -5.125 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -4.146 -2.347 -4.495 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -6.433 -2.809 -5.490 1.00 0.00 C ATOM 0 H LEU A 86 -7.487 1.355 -3.955 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.886 0.998 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.800 -0.946 -3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.097 -0.703 -4.331 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.094 -1.260 -6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.731 -3.101 -5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.408 -1.563 -4.328 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.404 -2.810 -3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.972 -3.554 -6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.793 -3.292 -4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.270 -2.343 -6.010 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.489 1.413 -5.530 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.590 1.631 -6.650 1.00 0.00 C ATOM 1226 C ALA A 87 -2.124 0.280 -7.195 1.00 0.00 C ATOM 1227 O ALA A 87 -1.967 0.115 -8.405 1.00 0.00 O ATOM 1228 CB ALA A 87 -1.423 2.514 -6.205 1.00 0.00 C ATOM 0 H ALA A 87 -3.101 1.656 -4.618 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.104 2.153 -7.457 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.749 2.677 -7.046 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.805 3.473 -5.855 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.882 2.022 -5.397 1.00 0.00 H new ATOM 1234 N GLY A 88 -1.916 -0.653 -6.277 1.00 0.00 N ATOM 1235 CA GLY A 88 -1.471 -1.984 -6.650 1.00 0.00 C ATOM 1236 C GLY A 88 -0.957 -2.753 -5.432 1.00 0.00 C ATOM 1237 O GLY A 88 -1.536 -2.665 -4.350 1.00 0.00 O ATOM 0 H GLY A 88 -2.048 -0.513 -5.275 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.295 -2.531 -7.109 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.681 -1.911 -7.398 1.00 0.00 H new ATOM 1241 N VAL A 89 0.123 -3.489 -5.647 1.00 0.00 N ATOM 1242 CA VAL A 89 0.720 -4.272 -4.579 1.00 0.00 C ATOM 1243 C VAL A 89 2.242 -4.272 -4.742 1.00 0.00 C ATOM 1244 O VAL A 89 2.799 -5.136 -5.417 1.00 0.00 O ATOM 1245 CB VAL A 89 0.122 -5.680 -4.566 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.830 -6.567 -3.539 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.385 -5.633 -4.303 1.00 0.00 C ATOM 0 H VAL A 89 0.600 -3.560 -6.546 1.00 0.00 H new ATOM 0 HA VAL A 89 0.496 -3.828 -3.609 1.00 0.00 H new ATOM 0 HB VAL A 89 0.277 -6.119 -5.552 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.386 -7.562 -3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.888 -6.639 -3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.721 -6.132 -2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.785 -6.647 -4.299 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.571 -5.165 -3.336 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.873 -5.053 -5.086 1.00 0.00 H new ATOM 1257 N ILE A 90 2.872 -3.291 -4.111 1.00 0.00 N ATOM 1258 CA ILE A 90 4.317 -3.166 -4.177 1.00 0.00 C ATOM 1259 C ILE A 90 4.951 -4.059 -3.109 1.00 0.00 C ATOM 1260 O ILE A 90 4.269 -4.521 -2.196 1.00 0.00 O ATOM 1261 CB ILE A 90 4.733 -1.697 -4.077 1.00 0.00 C ATOM 1262 CG1 ILE A 90 4.467 -1.146 -2.674 1.00 0.00 C ATOM 1263 CG2 ILE A 90 4.051 -0.858 -5.160 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.292 0.373 -2.705 1.00 0.00 C ATOM 0 H ILE A 90 2.407 -2.576 -3.552 1.00 0.00 H new ATOM 0 HA ILE A 90 4.686 -3.512 -5.143 1.00 0.00 H new ATOM 0 HB ILE A 90 5.807 -1.634 -4.250 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.571 -1.610 -2.261 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.295 -1.407 -2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.364 0.182 -5.066 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.333 -1.234 -6.143 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.969 -0.923 -5.043 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.104 0.738 -1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.198 0.836 -3.096 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.449 0.629 -3.346 1.00 0.00 H new ATOM 1276 N THR A 91 6.250 -4.274 -3.258 1.00 0.00 N ATOM 1277 CA THR A 91 6.984 -5.103 -2.318 1.00 0.00 C ATOM 1278 C THR A 91 8.487 -4.841 -2.434 1.00 0.00 C ATOM 1279 O THR A 91 8.970 -4.441 -3.492 1.00 0.00 O ATOM 1280 CB THR A 91 6.600 -6.562 -2.574 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.716 -7.304 -2.088 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.549 -6.901 -4.065 1.00 0.00 C ATOM 0 H THR A 91 6.813 -3.888 -4.016 1.00 0.00 H new ATOM 0 HA THR A 91 6.723 -4.858 -1.288 1.00 0.00 H new ATOM 0 HB THR A 91 5.630 -6.767 -2.122 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.626 -8.243 -2.355 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.272 -7.948 -4.191 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.810 -6.268 -4.557 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.529 -6.729 -4.511 1.00 0.00 H new ATOM 1290 N HIS A 92 9.184 -5.076 -1.332 1.00 0.00 N ATOM 1291 CA HIS A 92 10.622 -4.870 -1.298 1.00 0.00 C ATOM 1292 C HIS A 92 11.330 -6.101 -1.868 1.00 0.00 C ATOM 1293 O HIS A 92 12.538 -6.259 -1.698 1.00 0.00 O ATOM 1294 CB HIS A 92 11.087 -4.520 0.116 1.00 0.00 C ATOM 1295 CG HIS A 92 10.934 -3.059 0.470 1.00 0.00 C ATOM 1296 ND1 HIS A 92 11.834 -2.385 1.277 1.00 0.00 N ATOM 1297 CD2 HIS A 92 9.978 -2.152 0.117 1.00 0.00 C ATOM 1298 CE1 HIS A 92 11.427 -1.129 1.398 1.00 0.00 C ATOM 1299 NE2 HIS A 92 10.277 -0.988 0.679 1.00 0.00 N ATOM 0 H HIS A 92 8.780 -5.407 -0.456 1.00 0.00 H new ATOM 0 HA HIS A 92 10.886 -4.019 -1.925 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.522 -5.118 0.831 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.135 -4.801 0.223 1.00 0.00 H new ATOM 0 HD2 HIS A 92 9.123 -2.348 -0.513 1.00 0.00 H new ATOM 0 HE1 HIS A 92 11.920 -0.354 1.966 1.00 0.00 H new ATOM 0 HE2 HIS A 92 9.735 -0.128 0.588 1.00 0.00 H new ATOM 1308 N THR A 93 10.549 -6.940 -2.530 1.00 0.00 N ATOM 1309 CA THR A 93 11.086 -8.151 -3.126 1.00 0.00 C ATOM 1310 C THR A 93 12.334 -7.831 -3.951 1.00 0.00 C ATOM 1311 O THR A 93 12.251 -7.648 -5.165 1.00 0.00 O ATOM 1312 CB THR A 93 9.973 -8.813 -3.940 1.00 0.00 C ATOM 1313 OG1 THR A 93 9.343 -9.695 -3.015 1.00 0.00 O ATOM 1314 CG2 THR A 93 10.515 -9.740 -5.030 1.00 0.00 C ATOM 0 H THR A 93 9.547 -6.805 -2.667 1.00 0.00 H new ATOM 0 HA THR A 93 11.412 -8.856 -2.361 1.00 0.00 H new ATOM 0 HB THR A 93 9.351 -8.043 -4.396 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.607 -10.165 -3.460 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.683 -10.183 -5.577 1.00 0.00 H new ATOM 0 HG22 THR A 93 11.138 -9.168 -5.718 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.111 -10.530 -4.573 1.00 0.00 H new ATOM 1322 N GLY A 94 13.463 -7.774 -3.261 1.00 0.00 N ATOM 1323 CA GLY A 94 14.727 -7.480 -3.914 1.00 0.00 C ATOM 1324 C GLY A 94 14.530 -6.497 -5.070 1.00 0.00 C ATOM 1325 O GLY A 94 15.212 -6.589 -6.091 1.00 0.00 O ATOM 0 H GLY A 94 13.529 -7.927 -2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.426 -7.061 -3.190 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.171 -8.403 -4.288 1.00 0.00 H new ATOM 1329 N ALA A 95 13.596 -5.580 -4.872 1.00 0.00 N ATOM 1330 CA ALA A 95 13.300 -4.581 -5.885 1.00 0.00 C ATOM 1331 C ALA A 95 14.599 -3.889 -6.306 1.00 0.00 C ATOM 1332 O ALA A 95 14.777 -3.554 -7.476 1.00 0.00 O ATOM 1333 CB ALA A 95 12.263 -3.595 -5.344 1.00 0.00 C ATOM 0 H ALA A 95 13.033 -5.507 -4.024 1.00 0.00 H new ATOM 0 HA ALA A 95 12.872 -5.049 -6.772 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.042 -2.846 -6.104 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.350 -4.132 -5.087 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.658 -3.103 -4.455 1.00 0.00 H new ATOM 1339 N SER A 96 15.471 -3.694 -5.329 1.00 0.00 N ATOM 1340 CA SER A 96 16.748 -3.048 -5.582 1.00 0.00 C ATOM 1341 C SER A 96 17.068 -2.061 -4.458 1.00 0.00 C ATOM 1342 O SER A 96 17.567 -0.966 -4.712 1.00 0.00 O ATOM 1343 CB SER A 96 16.742 -2.330 -6.933 1.00 0.00 C ATOM 1344 OG SER A 96 17.840 -1.430 -7.065 1.00 0.00 O ATOM 0 H SER A 96 15.319 -3.972 -4.360 1.00 0.00 H new ATOM 0 HA SER A 96 17.520 -3.817 -5.612 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.779 -3.067 -7.735 1.00 0.00 H new ATOM 0 HB3 SER A 96 15.807 -1.781 -7.047 1.00 0.00 H new ATOM 0 HG SER A 96 17.812 -0.771 -6.340 1.00 0.00 H new ATOM 1350 N GLY A 97 16.766 -2.484 -3.240 1.00 0.00 N ATOM 1351 CA GLY A 97 17.015 -1.650 -2.075 1.00 0.00 C ATOM 1352 C GLY A 97 15.703 -1.243 -1.402 1.00 0.00 C ATOM 1353 O GLY A 97 14.952 -2.095 -0.929 1.00 0.00 O ATOM 0 H GLY A 97 16.351 -3.393 -3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.641 -2.190 -1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.567 -0.759 -2.373 1.00 0.00 H new ATOM 1357 N ASN A 98 15.466 0.061 -1.380 1.00 0.00 N ATOM 1358 CA ASN A 98 14.258 0.591 -0.773 1.00 0.00 C ATOM 1359 C ASN A 98 13.185 0.765 -1.849 1.00 0.00 C ATOM 1360 O ASN A 98 12.025 1.030 -1.538 1.00 0.00 O ATOM 1361 CB ASN A 98 14.516 1.959 -0.138 1.00 0.00 C ATOM 1362 CG ASN A 98 13.264 2.480 0.571 1.00 0.00 C ATOM 1363 OD1 ASN A 98 12.315 1.563 0.737 1.00 0.00 O flip ATOM 1364 ND2 ASN A 98 13.166 3.637 0.944 1.00 0.00 N flip ATOM 0 H ASN A 98 16.090 0.765 -1.773 1.00 0.00 H new ATOM 0 HA ASN A 98 13.932 -0.109 -0.004 1.00 0.00 H new ATOM 0 HB2 ASN A 98 15.337 1.884 0.575 1.00 0.00 H new ATOM 0 HB3 ASN A 98 14.825 2.668 -0.906 1.00 0.00 H new ATOM 0 HD21 ASN A 98 13.933 4.291 0.785 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.317 3.951 1.415 1.00 0.00 H new ATOM 1371 N ASN A 99 13.610 0.609 -3.094 1.00 0.00 N ATOM 1372 CA ASN A 99 12.700 0.745 -4.219 1.00 0.00 C ATOM 1373 C ASN A 99 11.588 -0.298 -4.097 1.00 0.00 C ATOM 1374 O ASN A 99 11.810 -1.391 -3.580 1.00 0.00 O ATOM 1375 CB ASN A 99 13.426 0.511 -5.545 1.00 0.00 C ATOM 1376 CG ASN A 99 13.747 -0.974 -5.740 1.00 0.00 C ATOM 1377 OD1 ASN A 99 14.037 -1.616 -4.612 1.00 0.00 O flip ATOM 1378 ND2 ASN A 99 13.733 -1.499 -6.841 1.00 0.00 N flip ATOM 0 H ASN A 99 14.573 0.390 -3.349 1.00 0.00 H new ATOM 0 HA ASN A 99 12.293 1.756 -4.205 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.807 0.864 -6.370 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.348 1.092 -5.566 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.501 -0.947 -7.667 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.953 -2.490 -6.936 1.00 0.00 H new ATOM 1385 N PHE A 100 10.414 0.077 -4.584 1.00 0.00 N ATOM 1386 CA PHE A 100 9.265 -0.812 -4.536 1.00 0.00 C ATOM 1387 C PHE A 100 8.974 -1.405 -5.916 1.00 0.00 C ATOM 1388 O PHE A 100 9.530 -0.959 -6.918 1.00 0.00 O ATOM 1389 CB PHE A 100 8.067 0.029 -4.093 1.00 0.00 C ATOM 1390 CG PHE A 100 7.943 0.186 -2.576 1.00 0.00 C ATOM 1391 CD1 PHE A 100 7.752 -0.909 -1.792 1.00 0.00 C ATOM 1392 CD2 PHE A 100 8.026 1.421 -2.011 1.00 0.00 C ATOM 1393 CE1 PHE A 100 7.638 -0.763 -0.385 1.00 0.00 C ATOM 1394 CE2 PHE A 100 7.911 1.566 -0.603 1.00 0.00 C ATOM 1395 CZ PHE A 100 7.720 0.471 0.181 1.00 0.00 C ATOM 0 H PHE A 100 10.234 0.984 -5.014 1.00 0.00 H new ATOM 0 HA PHE A 100 9.460 -1.636 -3.849 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.143 1.018 -4.545 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.154 -0.427 -4.476 1.00 0.00 H new ATOM 0 HD1 PHE A 100 7.687 -1.889 -2.240 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.179 2.291 -2.633 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.486 -1.633 0.237 1.00 0.00 H new ATOM 0 HE2 PHE A 100 7.975 2.546 -0.154 1.00 0.00 H new ATOM 0 HZ PHE A 100 7.634 0.581 1.252 1.00 0.00 H new ATOM 1405 N VAL A 101 8.102 -2.403 -5.923 1.00 0.00 N ATOM 1406 CA VAL A 101 7.730 -3.063 -7.163 1.00 0.00 C ATOM 1407 C VAL A 101 6.442 -3.859 -6.946 1.00 0.00 C ATOM 1408 O VAL A 101 6.290 -4.536 -5.931 1.00 0.00 O ATOM 1409 CB VAL A 101 8.890 -3.927 -7.665 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.091 -3.063 -8.049 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.280 -4.978 -6.623 1.00 0.00 C ATOM 0 H VAL A 101 7.643 -2.770 -5.090 1.00 0.00 H new ATOM 0 HA VAL A 101 7.530 -2.327 -7.942 1.00 0.00 H new ATOM 0 HB VAL A 101 8.556 -4.451 -8.561 1.00 0.00 H new ATOM 0 HG11 VAL A 101 10.901 -3.702 -8.402 1.00 0.00 H new ATOM 0 HG12 VAL A 101 9.803 -2.371 -8.840 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.427 -2.499 -7.179 1.00 0.00 H new ATOM 0 HG21 VAL A 101 10.106 -5.579 -7.004 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.587 -4.481 -5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.425 -5.623 -6.420 1.00 0.00 H new ATOM 1421 N GLU A 102 5.546 -3.750 -7.918 1.00 0.00 N ATOM 1422 CA GLU A 102 4.276 -4.452 -7.845 1.00 0.00 C ATOM 1423 C GLU A 102 4.508 -5.959 -7.713 1.00 0.00 C ATOM 1424 O GLU A 102 5.215 -6.555 -8.523 1.00 0.00 O ATOM 1425 CB GLU A 102 3.406 -4.136 -9.063 1.00 0.00 C ATOM 1426 CG GLU A 102 3.830 -2.818 -9.713 1.00 0.00 C ATOM 1427 CD GLU A 102 2.680 -2.209 -10.520 1.00 0.00 C ATOM 1428 OE1 GLU A 102 1.792 -1.608 -9.877 1.00 0.00 O ATOM 1429 OE2 GLU A 102 2.716 -2.357 -11.759 1.00 0.00 O ATOM 0 H GLU A 102 5.675 -3.187 -8.759 1.00 0.00 H new ATOM 0 HA GLU A 102 3.743 -4.108 -6.959 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.483 -4.945 -9.789 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.360 -4.077 -8.762 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.151 -2.116 -8.944 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.686 -2.989 -10.366 1.00 0.00 H new ATOM 1436 N CYS A 103 3.898 -6.531 -6.685 1.00 0.00 N ATOM 1437 CA CYS A 103 4.029 -7.956 -6.437 1.00 0.00 C ATOM 1438 C CYS A 103 3.616 -8.705 -7.705 1.00 0.00 C ATOM 1439 O CYS A 103 3.480 -8.103 -8.769 1.00 0.00 O ATOM 1440 CB CYS A 103 3.209 -8.395 -5.222 1.00 0.00 C ATOM 1441 SG CYS A 103 3.646 -7.555 -3.656 1.00 0.00 S ATOM 0 H CYS A 103 3.312 -6.033 -6.015 1.00 0.00 H new ATOM 0 HA CYS A 103 5.066 -8.193 -6.199 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.154 -8.218 -5.430 1.00 0.00 H new ATOM 0 HB3 CYS A 103 3.332 -9.470 -5.088 1.00 0.00 H new ATOM 0 HG CYS A 103 2.832 -7.937 -2.717 1.00 0.00 H new ATOM 1446 N THR A 104 3.428 -10.007 -7.551 1.00 0.00 N ATOM 1447 CA THR A 104 3.033 -10.845 -8.671 1.00 0.00 C ATOM 1448 C THR A 104 1.567 -11.260 -8.535 1.00 0.00 C ATOM 1449 O THR A 104 0.673 -10.548 -8.989 1.00 0.00 O ATOM 1450 CB THR A 104 3.998 -12.031 -8.736 1.00 0.00 C ATOM 1451 OG1 THR A 104 3.784 -12.720 -7.507 1.00 0.00 O ATOM 1452 CG2 THR A 104 5.464 -11.598 -8.673 1.00 0.00 C ATOM 0 H THR A 104 3.542 -10.503 -6.667 1.00 0.00 H new ATOM 0 HA THR A 104 3.098 -10.303 -9.614 1.00 0.00 H new ATOM 0 HB THR A 104 3.825 -12.590 -9.656 1.00 0.00 H new ATOM 0 HG1 THR A 104 4.266 -12.262 -6.787 1.00 0.00 H new ATOM 0 HG21 THR A 104 6.106 -12.478 -8.723 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.685 -10.939 -9.513 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.647 -11.068 -7.738 1.00 0.00 H new