USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 863 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 93 LYS NZ :NH3+ -144:sc= 0.0144 (180deg=0) USER MOD Set 1.2: A 108 THR OG1 : rot 120:sc= 0.0134 USER MOD Single : A 1 MET CE :methyl -116:sc= -8.02! (180deg=-9.43!) USER MOD Single : A 1 MET N :NH3+ 175:sc= 0.322 (180deg=0.304) USER MOD Single : A 2 THR OG1 : rot 76:sc= 0.119 USER MOD Single : A 4 CYS SG : rot 180:sc= -1.91! USER MOD Single : A 6 MET CE :methyl -177:sc= 0 (180deg=-0.0271) USER MOD Single : A 7 TYR OH : rot 120:sc= -0.638 USER MOD Single : A 8 ASN : amide:sc= -3.57! C(o=-3.6!,f=-3.7!) USER MOD Single : A 10 SER OG : rot -96:sc= 0.68 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 154:sc= 0.471 USER MOD Single : A 23 MET CE :methyl 143:sc= -0.144 (180deg=-1.84!) USER MOD Single : A 29 SER OG : rot -43:sc= 0.498 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 30:sc= -0.191 USER MOD Single : A 40 ASN : amide:sc= -0.296 X(o=-0.3,f=0.047) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0701 USER MOD Single : A 45 MET CE :methyl -127:sc= -2.87 (180deg=-6.28!) USER MOD Single : A 46 MET CE :methyl -167:sc=-0.00123 (180deg=-0.195) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 48:sc= 0.331 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.0664) USER MOD Single : A 64 THR OG1 : rot 140:sc= -1.74 USER MOD Single : A 71 ASN : amide:sc= -1.77 K(o=-1.8,f=-0.49) USER MOD Single : A 74 LYS NZ :NH3+ -134:sc= -0.163 (180deg=-0.742) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -117:sc= -4.41 (180deg=-8.2!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0281 K(o=-0.028,f=-1.2!) USER MOD Single : A 88 MET CE :methyl -155:sc= -7.35! (180deg=-10.7!) USER MOD Single : A 89 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0331) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -97:sc= 1.61 USER MOD Single : A 98 LYS NZ :NH3+ 166:sc=-0.00432 (180deg=-0.0945) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.0314 K(o=-0.031,f=-1.5) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.322 -0.409 0.158 1.00 31.35 N ATOM 2 CA MET A 1 2.030 -0.247 -1.106 1.00 53.22 C ATOM 3 C MET A 1 3.383 -0.949 -1.066 1.00 4.43 C ATOM 4 O MET A 1 3.844 -1.372 -0.005 1.00 11.12 O ATOM 5 CB MET A 1 2.221 1.238 -1.421 1.00 2.12 C ATOM 6 CG MET A 1 2.302 2.116 -0.183 1.00 12.24 C ATOM 7 SD MET A 1 3.662 1.656 0.908 1.00 32.11 S ATOM 8 CE MET A 1 5.044 1.717 -0.230 1.00 12.23 C ATOM 0 H1 MET A 1 0.443 0.147 0.137 1.00 31.35 H new ATOM 0 H2 MET A 1 1.093 -1.413 0.302 1.00 31.35 H new ATOM 0 H3 MET A 1 1.924 -0.076 0.938 1.00 31.35 H new ATOM 0 HA MET A 1 1.428 -0.703 -1.892 1.00 53.22 H new ATOM 0 HB2 MET A 1 3.133 1.363 -2.005 1.00 2.12 H new ATOM 0 HB3 MET A 1 1.394 1.578 -2.044 1.00 2.12 H new ATOM 0 HG2 MET A 1 2.421 3.156 -0.487 1.00 12.24 H new ATOM 0 HG3 MET A 1 1.363 2.050 0.366 1.00 12.24 H new ATOM 0 HE1 MET A 1 5.471 0.720 -0.338 1.00 12.23 H new ATOM 0 HE2 MET A 1 4.700 2.072 -1.202 1.00 12.23 H new ATOM 0 HE3 MET A 1 5.804 2.397 0.156 1.00 12.23 H new ATOM 18 N THR A 2 4.018 -1.070 -2.228 1.00 15.41 N ATOM 19 CA THR A 2 5.317 -1.721 -2.325 1.00 65.32 C ATOM 20 C THR A 2 6.433 -0.699 -2.510 1.00 53.23 C ATOM 21 O THR A 2 6.354 0.170 -3.380 1.00 64.01 O ATOM 22 CB THR A 2 5.357 -2.724 -3.493 1.00 70.54 C ATOM 23 OG1 THR A 2 4.085 -3.369 -3.629 1.00 44.32 O ATOM 24 CG2 THR A 2 6.440 -3.770 -3.273 1.00 12.23 C ATOM 0 H THR A 2 3.652 -0.725 -3.115 1.00 15.41 H new ATOM 0 HA THR A 2 5.471 -2.258 -1.389 1.00 65.32 H new ATOM 0 HB THR A 2 5.585 -2.174 -4.406 1.00 70.54 H new ATOM 0 HG1 THR A 2 3.449 -2.753 -4.050 1.00 44.32 H new ATOM 0 HG21 THR A 2 6.448 -4.467 -4.111 1.00 12.23 H new ATOM 0 HG22 THR A 2 7.410 -3.279 -3.199 1.00 12.23 H new ATOM 0 HG23 THR A 2 6.238 -4.314 -2.351 1.00 12.23 H new ATOM 32 N LEU A 3 7.471 -0.807 -1.689 1.00 32.34 N ATOM 33 CA LEU A 3 8.604 0.108 -1.762 1.00 41.35 C ATOM 34 C LEU A 3 9.888 -0.641 -2.105 1.00 51.33 C ATOM 35 O LEU A 3 10.280 -1.574 -1.404 1.00 10.13 O ATOM 36 CB LEU A 3 8.772 0.851 -0.436 1.00 2.02 C ATOM 37 CG LEU A 3 8.844 2.376 -0.525 1.00 33.14 C ATOM 38 CD1 LEU A 3 7.787 2.905 -1.482 1.00 63.00 C ATOM 39 CD2 LEU A 3 8.677 2.999 0.854 1.00 71.22 C ATOM 0 H LEU A 3 7.552 -1.520 -0.964 1.00 32.34 H new ATOM 0 HA LEU A 3 8.405 0.831 -2.553 1.00 41.35 H new ATOM 0 HB2 LEU A 3 7.939 0.584 0.215 1.00 2.02 H new ATOM 0 HB3 LEU A 3 9.681 0.492 0.046 1.00 2.02 H new ATOM 0 HG LEU A 3 9.825 2.653 -0.911 1.00 33.14 H new ATOM 0 HD11 LEU A 3 7.853 3.992 -1.533 1.00 63.00 H new ATOM 0 HD12 LEU A 3 7.952 2.485 -2.474 1.00 63.00 H new ATOM 0 HD13 LEU A 3 6.798 2.618 -1.126 1.00 63.00 H new ATOM 0 HD21 LEU A 3 8.731 4.085 0.772 1.00 71.22 H new ATOM 0 HD22 LEU A 3 7.709 2.714 1.267 1.00 71.22 H new ATOM 0 HD23 LEU A 3 9.471 2.645 1.512 1.00 71.22 H new ATOM 51 N CYS A 4 10.539 -0.225 -3.186 1.00 14.41 N ATOM 52 CA CYS A 4 11.780 -0.855 -3.621 1.00 73.32 C ATOM 53 C CYS A 4 12.915 0.161 -3.678 1.00 43.32 C ATOM 54 O CYS A 4 12.680 1.363 -3.798 1.00 42.24 O ATOM 55 CB CYS A 4 11.592 -1.506 -4.993 1.00 10.34 C ATOM 56 SG CYS A 4 10.140 -2.578 -5.109 1.00 5.43 S ATOM 0 H CYS A 4 10.228 0.546 -3.777 1.00 14.41 H new ATOM 0 HA CYS A 4 12.042 -1.624 -2.895 1.00 73.32 H new ATOM 0 HB2 CYS A 4 11.513 -0.723 -5.747 1.00 10.34 H new ATOM 0 HB3 CYS A 4 12.481 -2.090 -5.231 1.00 10.34 H new ATOM 0 HG CYS A 4 10.065 -3.080 -6.306 1.00 5.43 H new ATOM 62 N ALA A 5 14.147 -0.330 -3.589 1.00 41.33 N ATOM 63 CA ALA A 5 15.319 0.536 -3.631 1.00 62.40 C ATOM 64 C ALA A 5 16.410 -0.060 -4.514 1.00 63.21 C ATOM 65 O ALA A 5 16.609 -1.274 -4.537 1.00 23.43 O ATOM 66 CB ALA A 5 15.848 0.776 -2.225 1.00 23.12 C ATOM 0 H ALA A 5 14.359 -1.323 -3.487 1.00 41.33 H new ATOM 0 HA ALA A 5 15.020 1.491 -4.063 1.00 62.40 H new ATOM 0 HB1 ALA A 5 16.723 1.424 -2.271 1.00 23.12 H new ATOM 0 HB2 ALA A 5 15.075 1.252 -1.622 1.00 23.12 H new ATOM 0 HB3 ALA A 5 16.125 -0.176 -1.773 1.00 23.12 H new ATOM 72 N MET A 6 17.114 0.802 -5.241 1.00 12.14 N ATOM 73 CA MET A 6 18.185 0.360 -6.125 1.00 64.23 C ATOM 74 C MET A 6 19.537 0.878 -5.643 1.00 72.25 C ATOM 75 O MET A 6 19.711 2.077 -5.426 1.00 40.22 O ATOM 76 CB MET A 6 17.924 0.836 -7.556 1.00 21.24 C ATOM 77 CG MET A 6 18.062 2.339 -7.730 1.00 52.54 C ATOM 78 SD MET A 6 16.947 2.998 -8.985 1.00 61.13 S ATOM 79 CE MET A 6 17.577 2.191 -10.455 1.00 21.31 C ATOM 0 H MET A 6 16.961 1.811 -5.235 1.00 12.14 H new ATOM 0 HA MET A 6 18.207 -0.730 -6.111 1.00 64.23 H new ATOM 0 HB2 MET A 6 18.619 0.335 -8.229 1.00 21.24 H new ATOM 0 HB3 MET A 6 16.919 0.535 -7.853 1.00 21.24 H new ATOM 0 HG2 MET A 6 17.863 2.831 -6.778 1.00 52.54 H new ATOM 0 HG3 MET A 6 19.090 2.576 -8.002 1.00 52.54 H new ATOM 0 HE1 MET A 6 17.023 2.539 -11.327 1.00 21.31 H new ATOM 0 HE2 MET A 6 18.633 2.430 -10.577 1.00 21.31 H new ATOM 0 HE3 MET A 6 17.458 1.112 -10.357 1.00 21.31 H new ATOM 89 N TYR A 7 20.490 -0.033 -5.478 1.00 54.23 N ATOM 90 CA TYR A 7 21.825 0.332 -5.019 1.00 55.34 C ATOM 91 C TYR A 7 22.885 -0.109 -6.023 1.00 63.22 C ATOM 92 O TYR A 7 22.769 -1.166 -6.642 1.00 32.24 O ATOM 93 CB TYR A 7 22.107 -0.295 -3.653 1.00 75.43 C ATOM 94 CG TYR A 7 22.414 -1.774 -3.718 1.00 70.44 C ATOM 95 CD1 TYR A 7 21.396 -2.710 -3.852 1.00 35.34 C ATOM 96 CD2 TYR A 7 23.722 -2.236 -3.646 1.00 23.14 C ATOM 97 CE1 TYR A 7 21.671 -4.063 -3.911 1.00 5.32 C ATOM 98 CE2 TYR A 7 24.008 -3.586 -3.705 1.00 73.45 C ATOM 99 CZ TYR A 7 22.979 -4.496 -3.838 1.00 10.32 C ATOM 100 OH TYR A 7 23.259 -5.842 -3.896 1.00 40.33 O ATOM 0 H TYR A 7 20.363 -1.029 -5.655 1.00 54.23 H new ATOM 0 HA TYR A 7 21.866 1.417 -4.928 1.00 55.34 H new ATOM 0 HB2 TYR A 7 22.948 0.222 -3.192 1.00 75.43 H new ATOM 0 HB3 TYR A 7 21.244 -0.140 -3.006 1.00 75.43 H new ATOM 0 HD1 TYR A 7 20.371 -2.374 -3.911 1.00 35.34 H new ATOM 0 HD2 TYR A 7 24.530 -1.527 -3.542 1.00 23.14 H new ATOM 0 HE1 TYR A 7 20.867 -4.777 -4.014 1.00 5.32 H new ATOM 0 HE2 TYR A 7 25.031 -3.927 -3.647 1.00 73.45 H new ATOM 0 HH TYR A 7 23.836 -6.023 -4.667 1.00 40.33 H new ATOM 110 N ASN A 8 23.921 0.710 -6.178 1.00 73.44 N ATOM 111 CA ASN A 8 25.004 0.405 -7.107 1.00 34.14 C ATOM 112 C ASN A 8 26.328 0.249 -6.365 1.00 72.52 C ATOM 113 O ASN A 8 26.656 1.045 -5.485 1.00 74.02 O ATOM 114 CB ASN A 8 25.124 1.506 -8.162 1.00 11.43 C ATOM 115 CG ASN A 8 25.497 2.847 -7.558 1.00 73.23 C ATOM 116 OD1 ASN A 8 24.633 3.683 -7.295 1.00 52.41 O ATOM 117 ND2 ASN A 8 26.789 3.057 -7.336 1.00 61.44 N ATOM 0 H ASN A 8 24.033 1.589 -5.673 1.00 73.44 H new ATOM 0 HA ASN A 8 24.771 -0.538 -7.601 1.00 34.14 H new ATOM 0 HB2 ASN A 8 25.876 1.220 -8.898 1.00 11.43 H new ATOM 0 HB3 ASN A 8 24.177 1.601 -8.694 1.00 11.43 H new ATOM 0 HD21 ASN A 8 27.100 3.940 -6.932 1.00 61.44 H new ATOM 0 HD22 ASN A 8 27.471 2.335 -7.570 1.00 61.44 H new ATOM 124 N ILE A 9 27.084 -0.782 -6.727 1.00 42.05 N ATOM 125 CA ILE A 9 28.373 -1.041 -6.098 1.00 61.51 C ATOM 126 C ILE A 9 29.513 -0.902 -7.102 1.00 32.35 C ATOM 127 O ILE A 9 29.453 -1.446 -8.204 1.00 74.12 O ATOM 128 CB ILE A 9 28.422 -2.449 -5.475 1.00 10.14 C ATOM 129 CG1 ILE A 9 27.699 -3.454 -6.374 1.00 22.13 C ATOM 130 CG2 ILE A 9 27.805 -2.434 -4.084 1.00 74.02 C ATOM 131 CD1 ILE A 9 26.220 -3.574 -6.079 1.00 24.44 C ATOM 0 H ILE A 9 26.826 -1.451 -7.452 1.00 42.05 H new ATOM 0 HA ILE A 9 28.494 -0.298 -5.309 1.00 61.51 H new ATOM 0 HB ILE A 9 29.464 -2.755 -5.386 1.00 10.14 H new ATOM 0 HG12 ILE A 9 27.831 -3.159 -7.415 1.00 22.13 H new ATOM 0 HG13 ILE A 9 28.165 -4.433 -6.259 1.00 22.13 H new ATOM 0 HG21 ILE A 9 27.847 -3.436 -3.657 1.00 74.02 H new ATOM 0 HG22 ILE A 9 28.359 -1.744 -3.447 1.00 74.02 H new ATOM 0 HG23 ILE A 9 26.766 -2.111 -4.150 1.00 74.02 H new ATOM 0 HD11 ILE A 9 25.772 -4.304 -6.754 1.00 24.44 H new ATOM 0 HD12 ILE A 9 26.080 -3.899 -5.048 1.00 24.44 H new ATOM 0 HD13 ILE A 9 25.741 -2.606 -6.222 1.00 24.44 H new ATOM 143 N SER A 10 30.552 -0.171 -6.711 1.00 21.52 N ATOM 144 CA SER A 10 31.706 0.041 -7.577 1.00 11.12 C ATOM 145 C SER A 10 32.946 -0.641 -7.007 1.00 11.02 C ATOM 146 O SER A 10 33.340 -0.386 -5.869 1.00 72.31 O ATOM 147 CB SER A 10 31.969 1.538 -7.753 1.00 71.12 C ATOM 148 OG SER A 10 32.582 1.804 -9.003 1.00 4.15 O ATOM 0 H SER A 10 30.618 0.284 -5.801 1.00 21.52 H new ATOM 0 HA SER A 10 31.485 -0.399 -8.549 1.00 11.12 H new ATOM 0 HB2 SER A 10 31.030 2.087 -7.681 1.00 71.12 H new ATOM 0 HB3 SER A 10 32.610 1.895 -6.947 1.00 71.12 H new ATOM 0 HG SER A 10 33.553 1.861 -8.885 1.00 4.15 H new ATOM 154 N MET A 11 33.556 -1.509 -7.807 1.00 22.23 N ATOM 155 CA MET A 11 34.752 -2.228 -7.383 1.00 44.31 C ATOM 156 C MET A 11 36.007 -1.402 -7.653 1.00 75.51 C ATOM 157 O MET A 11 37.112 -1.799 -7.287 1.00 65.34 O ATOM 158 CB MET A 11 34.848 -3.573 -8.105 1.00 72.03 C ATOM 159 CG MET A 11 35.158 -3.446 -9.588 1.00 74.11 C ATOM 160 SD MET A 11 33.823 -4.062 -10.632 1.00 33.52 S ATOM 161 CE MET A 11 34.090 -3.107 -12.123 1.00 0.21 C ATOM 0 H MET A 11 33.242 -1.732 -8.752 1.00 22.23 H new ATOM 0 HA MET A 11 34.678 -2.405 -6.310 1.00 44.31 H new ATOM 0 HB2 MET A 11 35.622 -4.176 -7.631 1.00 72.03 H new ATOM 0 HB3 MET A 11 33.907 -4.109 -7.984 1.00 72.03 H new ATOM 0 HG2 MET A 11 35.348 -2.400 -9.827 1.00 74.11 H new ATOM 0 HG3 MET A 11 36.072 -3.995 -9.812 1.00 74.11 H new ATOM 0 HE1 MET A 11 33.340 -3.376 -12.867 1.00 0.21 H new ATOM 0 HE2 MET A 11 34.009 -2.044 -11.894 1.00 0.21 H new ATOM 0 HE3 MET A 11 35.084 -3.318 -12.517 1.00 0.21 H new ATOM 171 N ALA A 12 35.826 -0.253 -8.295 1.00 63.04 N ATOM 172 CA ALA A 12 36.943 0.628 -8.612 1.00 41.34 C ATOM 173 C ALA A 12 36.469 1.866 -9.366 1.00 51.03 C ATOM 174 O ALA A 12 35.276 2.165 -9.401 1.00 20.31 O ATOM 175 CB ALA A 12 37.990 -0.118 -9.425 1.00 63.44 C ATOM 0 H ALA A 12 34.917 0.090 -8.606 1.00 63.04 H new ATOM 0 HA ALA A 12 37.392 0.955 -7.674 1.00 41.34 H new ATOM 0 HB1 ALA A 12 38.818 0.552 -9.654 1.00 63.44 H new ATOM 0 HB2 ALA A 12 38.359 -0.968 -8.851 1.00 63.44 H new ATOM 0 HB3 ALA A 12 37.544 -0.474 -10.353 1.00 63.44 H new ATOM 181 N GLY A 13 37.412 2.584 -9.969 1.00 61.10 N ATOM 182 CA GLY A 13 37.070 3.782 -10.713 1.00 63.25 C ATOM 183 C GLY A 13 36.602 3.475 -12.122 1.00 43.22 C ATOM 184 O GLY A 13 37.011 4.136 -13.077 1.00 60.20 O ATOM 0 H GLY A 13 38.406 2.357 -9.955 1.00 61.10 H new ATOM 0 HA2 GLY A 13 36.287 4.324 -10.183 1.00 63.25 H new ATOM 0 HA3 GLY A 13 37.938 4.439 -10.757 1.00 63.25 H new ATOM 188 N SER A 14 35.744 2.469 -12.253 1.00 73.00 N ATOM 189 CA SER A 14 35.224 2.072 -13.556 1.00 52.34 C ATOM 190 C SER A 14 33.714 1.859 -13.497 1.00 42.43 C ATOM 191 O SER A 14 33.146 1.654 -12.424 1.00 61.52 O ATOM 192 CB SER A 14 35.912 0.793 -14.036 1.00 22.13 C ATOM 193 OG SER A 14 35.665 0.566 -15.412 1.00 70.25 O ATOM 0 H SER A 14 35.394 1.914 -11.472 1.00 73.00 H new ATOM 0 HA SER A 14 35.433 2.875 -14.262 1.00 52.34 H new ATOM 0 HB2 SER A 14 36.986 0.867 -13.864 1.00 22.13 H new ATOM 0 HB3 SER A 14 35.554 -0.056 -13.454 1.00 22.13 H new ATOM 0 HG SER A 14 36.117 -0.256 -15.694 1.00 70.25 H new ATOM 199 N HIS A 15 33.070 1.911 -14.659 1.00 33.23 N ATOM 200 CA HIS A 15 31.626 1.723 -14.741 1.00 15.24 C ATOM 201 C HIS A 15 31.141 0.757 -13.664 1.00 23.30 C ATOM 202 O HIS A 15 31.322 -0.457 -13.759 1.00 32.53 O ATOM 203 CB HIS A 15 31.235 1.201 -16.124 1.00 4.22 C ATOM 204 CG HIS A 15 31.316 2.239 -17.200 1.00 52.43 C ATOM 205 ND1 HIS A 15 30.558 3.392 -17.193 1.00 22.51 N ATOM 206 CD2 HIS A 15 32.072 2.295 -18.322 1.00 12.23 C ATOM 207 CE1 HIS A 15 30.843 4.110 -18.264 1.00 44.21 C ATOM 208 NE2 HIS A 15 31.760 3.467 -18.965 1.00 55.34 N ATOM 0 H HIS A 15 33.525 2.082 -15.556 1.00 33.23 H new ATOM 0 HA HIS A 15 31.150 2.690 -14.578 1.00 15.24 H new ATOM 0 HB2 HIS A 15 31.886 0.367 -16.386 1.00 4.22 H new ATOM 0 HB3 HIS A 15 30.218 0.811 -16.082 1.00 4.22 H new ATOM 0 HD2 HIS A 15 32.787 1.555 -18.650 1.00 12.23 H new ATOM 0 HE1 HIS A 15 30.402 5.061 -18.523 1.00 44.21 H new ATOM 0 HE2 HIS A 15 32.170 3.789 -19.842 1.00 55.34 H new ATOM 216 N PRO A 16 30.512 1.306 -12.615 1.00 11.05 N ATOM 217 CA PRO A 16 29.989 0.510 -11.500 1.00 2.42 C ATOM 218 C PRO A 16 28.786 -0.334 -11.904 1.00 54.14 C ATOM 219 O PRO A 16 28.331 -0.279 -13.048 1.00 23.22 O ATOM 220 CB PRO A 16 29.579 1.567 -10.471 1.00 45.31 C ATOM 221 CG PRO A 16 29.308 2.792 -11.274 1.00 54.23 C ATOM 222 CD PRO A 16 30.262 2.746 -12.436 1.00 14.13 C ATOM 0 HA PRO A 16 30.725 -0.204 -11.129 1.00 2.42 H new ATOM 0 HB2 PRO A 16 28.696 1.255 -9.914 1.00 45.31 H new ATOM 0 HB3 PRO A 16 30.371 1.738 -9.742 1.00 45.31 H new ATOM 0 HG2 PRO A 16 28.274 2.812 -11.619 1.00 54.23 H new ATOM 0 HG3 PRO A 16 29.462 3.691 -10.678 1.00 54.23 H new ATOM 0 HD2 PRO A 16 29.828 3.193 -13.330 1.00 14.13 H new ATOM 0 HD3 PRO A 16 31.182 3.290 -12.222 1.00 14.13 H new ATOM 230 N THR A 17 28.272 -1.115 -10.959 1.00 72.24 N ATOM 231 CA THR A 17 27.121 -1.972 -11.218 1.00 2.43 C ATOM 232 C THR A 17 25.918 -1.541 -10.387 1.00 31.22 C ATOM 233 O THR A 17 26.008 -1.410 -9.165 1.00 74.45 O ATOM 234 CB THR A 17 27.440 -3.448 -10.913 1.00 12.51 C ATOM 235 OG1 THR A 17 28.548 -3.884 -11.708 1.00 2.33 O ATOM 236 CG2 THR A 17 26.232 -4.330 -11.190 1.00 21.11 C ATOM 0 H THR A 17 28.634 -1.172 -10.007 1.00 72.24 H new ATOM 0 HA THR A 17 26.883 -1.871 -12.277 1.00 2.43 H new ATOM 0 HB THR A 17 27.697 -3.531 -9.857 1.00 12.51 H new ATOM 0 HG1 THR A 17 28.746 -4.823 -11.507 1.00 2.33 H new ATOM 0 HG21 THR A 17 26.481 -5.368 -10.968 1.00 21.11 H new ATOM 0 HG22 THR A 17 25.399 -4.014 -10.562 1.00 21.11 H new ATOM 0 HG23 THR A 17 25.950 -4.241 -12.239 1.00 21.11 H new ATOM 244 N THR A 18 24.790 -1.322 -11.056 1.00 21.31 N ATOM 245 CA THR A 18 23.568 -0.906 -10.379 1.00 63.22 C ATOM 246 C THR A 18 22.572 -2.056 -10.287 1.00 72.01 C ATOM 247 O THR A 18 22.458 -2.866 -11.208 1.00 15.32 O ATOM 248 CB THR A 18 22.902 0.279 -11.102 1.00 54.41 C ATOM 249 OG1 THR A 18 23.889 1.254 -11.458 1.00 74.23 O ATOM 250 CG2 THR A 18 21.841 0.923 -10.222 1.00 31.13 C ATOM 0 H THR A 18 24.698 -1.426 -12.066 1.00 21.31 H new ATOM 0 HA THR A 18 23.853 -0.595 -9.374 1.00 63.22 H new ATOM 0 HB THR A 18 22.423 -0.099 -12.005 1.00 54.41 H new ATOM 0 HG1 THR A 18 23.457 2.003 -11.919 1.00 74.23 H new ATOM 0 HG21 THR A 18 21.385 1.758 -10.754 1.00 31.13 H new ATOM 0 HG22 THR A 18 21.076 0.187 -9.977 1.00 31.13 H new ATOM 0 HG23 THR A 18 22.302 1.287 -9.304 1.00 31.13 H new ATOM 258 N ILE A 19 21.852 -2.121 -9.172 1.00 24.41 N ATOM 259 CA ILE A 19 20.864 -3.172 -8.962 1.00 10.14 C ATOM 260 C ILE A 19 19.613 -2.622 -8.286 1.00 13.15 C ATOM 261 O ILE A 19 19.694 -1.744 -7.426 1.00 3.31 O ATOM 262 CB ILE A 19 21.434 -4.318 -8.106 1.00 23.40 C ATOM 263 CG1 ILE A 19 21.766 -5.525 -8.987 1.00 14.05 C ATOM 264 CG2 ILE A 19 20.447 -4.707 -7.015 1.00 43.13 C ATOM 265 CD1 ILE A 19 22.064 -6.783 -8.201 1.00 10.32 C ATOM 0 H ILE A 19 21.934 -1.459 -8.401 1.00 24.41 H new ATOM 0 HA ILE A 19 20.602 -3.560 -9.946 1.00 10.14 H new ATOM 0 HB ILE A 19 22.353 -3.974 -7.631 1.00 23.40 H new ATOM 0 HG12 ILE A 19 20.929 -5.716 -9.659 1.00 14.05 H new ATOM 0 HG13 ILE A 19 22.627 -5.284 -9.611 1.00 14.05 H new ATOM 0 HG21 ILE A 19 20.865 -5.518 -6.419 1.00 43.13 H new ATOM 0 HG22 ILE A 19 20.256 -3.847 -6.374 1.00 43.13 H new ATOM 0 HG23 ILE A 19 19.512 -5.035 -7.470 1.00 43.13 H new ATOM 0 HD11 ILE A 19 22.291 -7.597 -8.889 1.00 10.32 H new ATOM 0 HD12 ILE A 19 22.920 -6.610 -7.549 1.00 10.32 H new ATOM 0 HD13 ILE A 19 21.196 -7.049 -7.598 1.00 10.32 H new ATOM 277 N CYS A 20 18.457 -3.145 -8.678 1.00 74.01 N ATOM 278 CA CYS A 20 17.187 -2.707 -8.109 1.00 72.22 C ATOM 279 C CYS A 20 16.446 -3.876 -7.468 1.00 24.40 C ATOM 280 O CYS A 20 16.090 -4.843 -8.141 1.00 74.42 O ATOM 281 CB CYS A 20 16.314 -2.066 -9.189 1.00 63.02 C ATOM 282 SG CYS A 20 16.171 -3.047 -10.701 1.00 73.41 S ATOM 0 H CYS A 20 18.372 -3.873 -9.388 1.00 74.01 H new ATOM 0 HA CYS A 20 17.400 -1.967 -7.337 1.00 72.22 H new ATOM 0 HB2 CYS A 20 15.317 -1.897 -8.782 1.00 63.02 H new ATOM 0 HB3 CYS A 20 16.725 -1.088 -9.440 1.00 63.02 H new ATOM 0 HG CYS A 20 15.051 -2.765 -11.297 1.00 73.41 H new ATOM 288 N VAL A 21 16.220 -3.782 -6.162 1.00 11.35 N ATOM 289 CA VAL A 21 15.523 -4.832 -5.428 1.00 54.45 C ATOM 290 C VAL A 21 14.578 -4.241 -4.388 1.00 52.20 C ATOM 291 O VAL A 21 14.850 -3.186 -3.814 1.00 22.42 O ATOM 292 CB VAL A 21 16.514 -5.779 -4.727 1.00 34.32 C ATOM 293 CG1 VAL A 21 17.316 -6.567 -5.751 1.00 42.42 C ATOM 294 CG2 VAL A 21 17.434 -4.997 -3.802 1.00 65.15 C ATOM 0 H VAL A 21 16.510 -2.989 -5.590 1.00 11.35 H new ATOM 0 HA VAL A 21 14.945 -5.399 -6.158 1.00 54.45 H new ATOM 0 HB VAL A 21 15.947 -6.488 -4.123 1.00 34.32 H new ATOM 0 HG11 VAL A 21 18.011 -7.231 -5.236 1.00 42.42 H new ATOM 0 HG12 VAL A 21 16.638 -7.158 -6.367 1.00 42.42 H new ATOM 0 HG13 VAL A 21 17.874 -5.878 -6.384 1.00 42.42 H new ATOM 0 HG21 VAL A 21 18.128 -5.682 -3.315 1.00 65.15 H new ATOM 0 HG22 VAL A 21 17.995 -4.264 -4.381 1.00 65.15 H new ATOM 0 HG23 VAL A 21 16.839 -4.484 -3.046 1.00 65.15 H new ATOM 304 N VAL A 22 13.465 -4.928 -4.149 1.00 42.10 N ATOM 305 CA VAL A 22 12.480 -4.472 -3.176 1.00 34.40 C ATOM 306 C VAL A 22 13.043 -4.520 -1.760 1.00 54.00 C ATOM 307 O VAL A 22 13.953 -5.295 -1.469 1.00 42.01 O ATOM 308 CB VAL A 22 11.197 -5.323 -3.236 1.00 22.53 C ATOM 309 CG1 VAL A 22 11.469 -6.734 -2.737 1.00 32.53 C ATOM 310 CG2 VAL A 22 10.086 -4.669 -2.429 1.00 52.34 C ATOM 0 H VAL A 22 13.223 -5.802 -4.616 1.00 42.10 H new ATOM 0 HA VAL A 22 12.236 -3.441 -3.432 1.00 34.40 H new ATOM 0 HB VAL A 22 10.872 -5.386 -4.274 1.00 22.53 H new ATOM 0 HG11 VAL A 22 10.552 -7.321 -2.787 1.00 32.53 H new ATOM 0 HG12 VAL A 22 12.232 -7.200 -3.361 1.00 32.53 H new ATOM 0 HG13 VAL A 22 11.819 -6.694 -1.705 1.00 32.53 H new ATOM 0 HG21 VAL A 22 9.187 -5.284 -2.482 1.00 52.34 H new ATOM 0 HG22 VAL A 22 10.399 -4.574 -1.389 1.00 52.34 H new ATOM 0 HG23 VAL A 22 9.874 -3.680 -2.836 1.00 52.34 H new ATOM 320 N MET A 23 12.494 -3.686 -0.883 1.00 32.13 N ATOM 321 CA MET A 23 12.941 -3.634 0.505 1.00 75.44 C ATOM 322 C MET A 23 12.910 -5.022 1.137 1.00 4.05 C ATOM 323 O MET A 23 13.802 -5.383 1.906 1.00 34.42 O ATOM 324 CB MET A 23 12.063 -2.675 1.310 1.00 13.40 C ATOM 325 CG MET A 23 12.527 -2.485 2.745 1.00 45.22 C ATOM 326 SD MET A 23 11.179 -2.614 3.935 1.00 52.14 S ATOM 327 CE MET A 23 11.781 -3.932 4.987 1.00 0.13 C ATOM 0 H MET A 23 11.740 -3.037 -1.108 1.00 32.13 H new ATOM 0 HA MET A 23 13.969 -3.271 0.517 1.00 75.44 H new ATOM 0 HB2 MET A 23 12.046 -1.706 0.811 1.00 13.40 H new ATOM 0 HB3 MET A 23 11.039 -3.050 1.314 1.00 13.40 H new ATOM 0 HG2 MET A 23 13.286 -3.232 2.979 1.00 45.22 H new ATOM 0 HG3 MET A 23 13.001 -1.508 2.843 1.00 45.22 H new ATOM 0 HE1 MET A 23 11.505 -3.727 6.021 1.00 0.13 H new ATOM 0 HE2 MET A 23 11.339 -4.878 4.674 1.00 0.13 H new ATOM 0 HE3 MET A 23 12.866 -3.995 4.907 1.00 0.13 H new ATOM 337 N ASP A 24 11.881 -5.794 0.810 1.00 75.42 N ATOM 338 CA ASP A 24 11.735 -7.143 1.346 1.00 41.21 C ATOM 339 C ASP A 24 12.943 -8.003 0.987 1.00 33.35 C ATOM 340 O ASP A 24 13.391 -8.826 1.787 1.00 55.52 O ATOM 341 CB ASP A 24 10.456 -7.791 0.814 1.00 13.23 C ATOM 342 CG ASP A 24 9.921 -8.864 1.742 1.00 3.34 C ATOM 343 OD1 ASP A 24 10.581 -9.147 2.765 1.00 51.04 O ATOM 344 OD2 ASP A 24 8.843 -9.420 1.447 1.00 11.43 O ATOM 0 H ASP A 24 11.134 -5.509 0.176 1.00 75.42 H new ATOM 0 HA ASP A 24 11.672 -7.071 2.432 1.00 41.21 H new ATOM 0 HB2 ASP A 24 9.695 -7.024 0.674 1.00 13.23 H new ATOM 0 HB3 ASP A 24 10.653 -8.227 -0.165 1.00 13.23 H new ATOM 349 N ARG A 25 13.464 -7.809 -0.219 1.00 42.34 N ATOM 350 CA ARG A 25 14.618 -8.568 -0.684 1.00 63.55 C ATOM 351 C ARG A 25 15.901 -7.757 -0.529 1.00 65.55 C ATOM 352 O ARG A 25 17.004 -8.293 -0.643 1.00 3.01 O ATOM 353 CB ARG A 25 14.432 -8.974 -2.148 1.00 24.43 C ATOM 354 CG ARG A 25 13.261 -9.916 -2.374 1.00 63.34 C ATOM 355 CD ARG A 25 13.296 -10.523 -3.768 1.00 62.14 C ATOM 356 NE ARG A 25 13.058 -9.524 -4.806 1.00 42.34 N ATOM 357 CZ ARG A 25 13.238 -9.753 -6.102 1.00 72.14 C ATOM 358 NH1 ARG A 25 13.655 -10.941 -6.517 1.00 74.42 N ATOM 359 NH2 ARG A 25 13.000 -8.793 -6.987 1.00 13.23 N ATOM 0 H ARG A 25 13.105 -7.132 -0.893 1.00 42.34 H new ATOM 0 HA ARG A 25 14.701 -9.466 -0.072 1.00 63.55 H new ATOM 0 HB2 ARG A 25 14.287 -8.077 -2.750 1.00 24.43 H new ATOM 0 HB3 ARG A 25 15.345 -9.451 -2.503 1.00 24.43 H new ATOM 0 HG2 ARG A 25 13.283 -10.711 -1.629 1.00 63.34 H new ATOM 0 HG3 ARG A 25 12.325 -9.375 -2.235 1.00 63.34 H new ATOM 0 HD2 ARG A 25 14.265 -10.994 -3.934 1.00 62.14 H new ATOM 0 HD3 ARG A 25 12.543 -11.308 -3.841 1.00 62.14 H new ATOM 0 HE ARG A 25 12.736 -8.599 -4.520 1.00 42.34 H new ATOM 0 HH11 ARG A 25 13.838 -11.682 -5.841 1.00 74.42 H new ATOM 0 HH12 ARG A 25 13.792 -11.114 -7.513 1.00 74.42 H new ATOM 0 HH21 ARG A 25 12.678 -7.878 -6.672 1.00 13.23 H new ATOM 0 HH22 ARG A 25 13.139 -8.971 -7.982 1.00 13.23 H new ATOM 373 N PHE A 26 15.749 -6.463 -0.270 1.00 65.01 N ATOM 374 CA PHE A 26 16.896 -5.577 -0.101 1.00 74.50 C ATOM 375 C PHE A 26 17.729 -5.991 1.109 1.00 73.14 C ATOM 376 O PHE A 26 18.958 -6.035 1.045 1.00 41.32 O ATOM 377 CB PHE A 26 16.429 -4.129 0.058 1.00 32.12 C ATOM 378 CG PHE A 26 17.557 -3.141 0.138 1.00 42.10 C ATOM 379 CD1 PHE A 26 18.611 -3.198 -0.760 1.00 75.12 C ATOM 380 CD2 PHE A 26 17.565 -2.155 1.112 1.00 73.13 C ATOM 381 CE1 PHE A 26 19.650 -2.290 -0.690 1.00 23.12 C ATOM 382 CE2 PHE A 26 18.601 -1.244 1.187 1.00 64.23 C ATOM 383 CZ PHE A 26 19.646 -1.313 0.286 1.00 41.53 C ATOM 0 H PHE A 26 14.843 -6.004 -0.172 1.00 65.01 H new ATOM 0 HA PHE A 26 17.519 -5.655 -0.992 1.00 74.50 H new ATOM 0 HB2 PHE A 26 15.787 -3.868 -0.783 1.00 32.12 H new ATOM 0 HB3 PHE A 26 15.821 -4.048 0.959 1.00 32.12 H new ATOM 0 HD1 PHE A 26 18.620 -3.961 -1.524 1.00 75.12 H new ATOM 0 HD2 PHE A 26 16.752 -2.098 1.821 1.00 73.13 H new ATOM 0 HE1 PHE A 26 20.464 -2.344 -1.398 1.00 23.12 H new ATOM 0 HE2 PHE A 26 18.594 -0.479 1.949 1.00 64.23 H new ATOM 0 HZ PHE A 26 20.459 -0.604 0.345 1.00 41.53 H new ATOM 393 N LEU A 27 17.051 -6.293 2.211 1.00 61.35 N ATOM 394 CA LEU A 27 17.727 -6.703 3.436 1.00 23.14 C ATOM 395 C LEU A 27 18.593 -7.936 3.195 1.00 41.52 C ATOM 396 O LEU A 27 19.760 -7.971 3.582 1.00 3.14 O ATOM 397 CB LEU A 27 16.703 -6.993 4.535 1.00 50.21 C ATOM 398 CG LEU A 27 17.266 -7.184 5.944 1.00 74.02 C ATOM 399 CD1 LEU A 27 16.259 -6.726 6.987 1.00 12.44 C ATOM 400 CD2 LEU A 27 17.648 -8.639 6.172 1.00 4.03 C ATOM 0 H LEU A 27 16.034 -6.262 2.281 1.00 61.35 H new ATOM 0 HA LEU A 27 18.373 -5.885 3.755 1.00 23.14 H new ATOM 0 HB2 LEU A 27 15.985 -6.173 4.560 1.00 50.21 H new ATOM 0 HB3 LEU A 27 16.151 -7.892 4.261 1.00 50.21 H new ATOM 0 HG LEU A 27 18.164 -6.573 6.042 1.00 74.02 H new ATOM 0 HD11 LEU A 27 16.677 -6.869 7.984 1.00 12.44 H new ATOM 0 HD12 LEU A 27 16.034 -5.670 6.836 1.00 12.44 H new ATOM 0 HD13 LEU A 27 15.344 -7.310 6.890 1.00 12.44 H new ATOM 0 HD21 LEU A 27 18.047 -8.757 7.180 1.00 4.03 H new ATOM 0 HD22 LEU A 27 16.767 -9.269 6.055 1.00 4.03 H new ATOM 0 HD23 LEU A 27 18.405 -8.935 5.445 1.00 4.03 H new ATOM 412 N GLU A 28 18.013 -8.943 2.550 1.00 52.10 N ATOM 413 CA GLU A 28 18.733 -10.176 2.256 1.00 72.43 C ATOM 414 C GLU A 28 19.810 -9.939 1.202 1.00 64.03 C ATOM 415 O GLU A 28 20.943 -10.399 1.342 1.00 25.05 O ATOM 416 CB GLU A 28 17.762 -11.257 1.774 1.00 23.03 C ATOM 417 CG GLU A 28 18.276 -12.672 1.982 1.00 74.15 C ATOM 418 CD GLU A 28 17.555 -13.687 1.116 1.00 53.25 C ATOM 419 OE1 GLU A 28 17.106 -13.312 0.012 1.00 13.41 O ATOM 420 OE2 GLU A 28 17.439 -14.855 1.541 1.00 63.13 O ATOM 0 H GLU A 28 17.047 -8.929 2.221 1.00 52.10 H new ATOM 0 HA GLU A 28 19.215 -10.513 3.174 1.00 72.43 H new ATOM 0 HB2 GLU A 28 16.814 -11.143 2.300 1.00 23.03 H new ATOM 0 HB3 GLU A 28 17.559 -11.105 0.714 1.00 23.03 H new ATOM 0 HG2 GLU A 28 19.343 -12.703 1.761 1.00 74.15 H new ATOM 0 HG3 GLU A 28 18.160 -12.946 3.030 1.00 74.15 H new ATOM 427 N SER A 29 19.448 -9.218 0.145 1.00 22.23 N ATOM 428 CA SER A 29 20.382 -8.923 -0.935 1.00 52.12 C ATOM 429 C SER A 29 21.620 -8.208 -0.403 1.00 50.21 C ATOM 430 O SER A 29 22.741 -8.478 -0.835 1.00 31.54 O ATOM 431 CB SER A 29 19.703 -8.064 -2.004 1.00 32.21 C ATOM 432 OG SER A 29 19.619 -6.710 -1.593 1.00 62.52 O ATOM 0 H SER A 29 18.515 -8.828 0.014 1.00 22.23 H new ATOM 0 HA SER A 29 20.693 -9.868 -1.381 1.00 52.12 H new ATOM 0 HB2 SER A 29 20.262 -8.130 -2.937 1.00 32.21 H new ATOM 0 HB3 SER A 29 18.703 -8.449 -2.204 1.00 32.21 H new ATOM 0 HG SER A 29 19.346 -6.670 -0.653 1.00 62.52 H new ATOM 438 N PHE A 30 21.409 -7.293 0.537 1.00 13.03 N ATOM 439 CA PHE A 30 22.506 -6.537 1.129 1.00 65.01 C ATOM 440 C PHE A 30 23.397 -7.443 1.974 1.00 2.21 C ATOM 441 O PHE A 30 24.624 -7.383 1.886 1.00 75.12 O ATOM 442 CB PHE A 30 21.962 -5.393 1.987 1.00 30.43 C ATOM 443 CG PHE A 30 22.542 -5.354 3.372 1.00 25.40 C ATOM 444 CD1 PHE A 30 23.852 -4.952 3.577 1.00 24.22 C ATOM 445 CD2 PHE A 30 21.778 -5.719 4.468 1.00 21.35 C ATOM 446 CE1 PHE A 30 24.389 -4.916 4.850 1.00 21.23 C ATOM 447 CE2 PHE A 30 22.309 -5.685 5.744 1.00 3.11 C ATOM 448 CZ PHE A 30 23.616 -5.282 5.935 1.00 3.22 C ATOM 0 H PHE A 30 20.488 -7.057 0.905 1.00 13.03 H new ATOM 0 HA PHE A 30 23.105 -6.120 0.319 1.00 65.01 H new ATOM 0 HB2 PHE A 30 22.168 -4.446 1.489 1.00 30.43 H new ATOM 0 HB3 PHE A 30 20.878 -5.486 2.058 1.00 30.43 H new ATOM 0 HD1 PHE A 30 24.460 -4.664 2.733 1.00 24.22 H new ATOM 0 HD2 PHE A 30 20.755 -6.034 4.324 1.00 21.35 H new ATOM 0 HE1 PHE A 30 25.412 -4.602 4.996 1.00 21.23 H new ATOM 0 HE2 PHE A 30 21.703 -5.973 6.590 1.00 3.11 H new ATOM 0 HZ PHE A 30 24.033 -5.253 6.931 1.00 3.22 H new ATOM 458 N SER A 31 22.771 -8.281 2.794 1.00 53.12 N ATOM 459 CA SER A 31 23.505 -9.197 3.659 1.00 44.52 C ATOM 460 C SER A 31 24.449 -10.075 2.843 1.00 1.11 C ATOM 461 O SER A 31 25.615 -10.247 3.198 1.00 72.24 O ATOM 462 CB SER A 31 22.534 -10.072 4.453 1.00 73.15 C ATOM 463 OG SER A 31 23.225 -11.083 5.166 1.00 15.12 O ATOM 0 H SER A 31 21.756 -8.344 2.877 1.00 53.12 H new ATOM 0 HA SER A 31 24.099 -8.604 4.355 1.00 44.52 H new ATOM 0 HB2 SER A 31 21.968 -9.453 5.150 1.00 73.15 H new ATOM 0 HB3 SER A 31 21.813 -10.529 3.775 1.00 73.15 H new ATOM 0 HG SER A 31 22.582 -11.628 5.667 1.00 15.12 H new ATOM 469 N GLU A 32 23.935 -10.628 1.749 1.00 43.22 N ATOM 470 CA GLU A 32 24.732 -11.489 0.883 1.00 72.31 C ATOM 471 C GLU A 32 25.722 -10.669 0.061 1.00 54.21 C ATOM 472 O GLU A 32 26.880 -11.054 -0.103 1.00 30.41 O ATOM 473 CB GLU A 32 23.823 -12.295 -0.048 1.00 51.52 C ATOM 474 CG GLU A 32 24.503 -13.506 -0.664 1.00 55.22 C ATOM 475 CD GLU A 32 24.670 -14.645 0.322 1.00 20.31 C ATOM 476 OE1 GLU A 32 25.709 -14.682 1.015 1.00 54.41 O ATOM 477 OE2 GLU A 32 23.764 -15.500 0.401 1.00 34.42 O ATOM 0 H GLU A 32 22.971 -10.495 1.442 1.00 43.22 H new ATOM 0 HA GLU A 32 25.294 -12.176 1.515 1.00 72.31 H new ATOM 0 HB2 GLU A 32 22.947 -12.625 0.510 1.00 51.52 H new ATOM 0 HB3 GLU A 32 23.466 -11.644 -0.846 1.00 51.52 H new ATOM 0 HG2 GLU A 32 23.919 -13.851 -1.517 1.00 55.22 H new ATOM 0 HG3 GLU A 32 25.482 -13.214 -1.045 1.00 55.22 H new ATOM 484 N LEU A 33 25.257 -9.536 -0.454 1.00 43.15 N ATOM 485 CA LEU A 33 26.101 -8.660 -1.260 1.00 55.25 C ATOM 486 C LEU A 33 27.357 -8.258 -0.495 1.00 11.13 C ATOM 487 O LEU A 33 28.442 -8.162 -1.069 1.00 10.13 O ATOM 488 CB LEU A 33 25.321 -7.411 -1.676 1.00 45.25 C ATOM 489 CG LEU A 33 26.103 -6.367 -2.475 1.00 61.45 C ATOM 490 CD1 LEU A 33 26.887 -5.458 -1.542 1.00 51.32 C ATOM 491 CD2 LEU A 33 27.035 -7.045 -3.470 1.00 31.04 C ATOM 0 H LEU A 33 24.301 -9.202 -0.328 1.00 43.15 H new ATOM 0 HA LEU A 33 26.403 -9.207 -2.153 1.00 55.25 H new ATOM 0 HB2 LEU A 33 24.462 -7.724 -2.269 1.00 45.25 H new ATOM 0 HB3 LEU A 33 24.931 -6.934 -0.777 1.00 45.25 H new ATOM 0 HG LEU A 33 25.392 -5.756 -3.031 1.00 61.45 H new ATOM 0 HD11 LEU A 33 27.437 -4.722 -2.128 1.00 51.32 H new ATOM 0 HD12 LEU A 33 26.199 -4.946 -0.870 1.00 51.32 H new ATOM 0 HD13 LEU A 33 27.588 -6.054 -0.958 1.00 51.32 H new ATOM 0 HD21 LEU A 33 27.583 -6.287 -4.030 1.00 31.04 H new ATOM 0 HD22 LEU A 33 27.740 -7.681 -2.934 1.00 31.04 H new ATOM 0 HD23 LEU A 33 26.450 -7.653 -4.160 1.00 31.04 H new ATOM 503 N TYR A 34 27.203 -8.026 0.804 1.00 31.11 N ATOM 504 CA TYR A 34 28.325 -7.634 1.649 1.00 71.41 C ATOM 505 C TYR A 34 29.322 -8.780 1.797 1.00 74.04 C ATOM 506 O TYR A 34 30.527 -8.558 1.913 1.00 11.04 O ATOM 507 CB TYR A 34 27.825 -7.198 3.027 1.00 52.10 C ATOM 508 CG TYR A 34 28.932 -6.991 4.035 1.00 22.25 C ATOM 509 CD1 TYR A 34 29.388 -8.043 4.822 1.00 55.44 C ATOM 510 CD2 TYR A 34 29.522 -5.745 4.203 1.00 5.31 C ATOM 511 CE1 TYR A 34 30.399 -7.858 5.745 1.00 74.51 C ATOM 512 CE2 TYR A 34 30.535 -5.552 5.123 1.00 40.33 C ATOM 513 CZ TYR A 34 30.969 -6.611 5.891 1.00 24.44 C ATOM 514 OH TYR A 34 31.977 -6.423 6.810 1.00 52.14 O ATOM 0 H TYR A 34 26.312 -8.103 1.295 1.00 31.11 H new ATOM 0 HA TYR A 34 28.831 -6.795 1.171 1.00 71.41 H new ATOM 0 HB2 TYR A 34 27.262 -6.271 2.923 1.00 52.10 H new ATOM 0 HB3 TYR A 34 27.134 -7.950 3.408 1.00 52.10 H new ATOM 0 HD1 TYR A 34 28.944 -9.021 4.710 1.00 55.44 H new ATOM 0 HD2 TYR A 34 29.183 -4.912 3.604 1.00 5.31 H new ATOM 0 HE1 TYR A 34 30.741 -8.685 6.349 1.00 74.51 H new ATOM 0 HE2 TYR A 34 30.984 -4.577 5.240 1.00 40.33 H new ATOM 0 HH TYR A 34 32.484 -7.255 6.915 1.00 52.14 H new ATOM 524 N ASP A 35 28.809 -10.006 1.790 1.00 41.42 N ATOM 525 CA ASP A 35 29.653 -11.188 1.921 1.00 12.22 C ATOM 526 C ASP A 35 30.440 -11.439 0.639 1.00 52.13 C ATOM 527 O ASP A 35 31.523 -12.024 0.668 1.00 33.32 O ATOM 528 CB ASP A 35 28.802 -12.413 2.260 1.00 11.32 C ATOM 529 CG ASP A 35 29.182 -13.031 3.591 1.00 22.40 C ATOM 530 OD1 ASP A 35 29.061 -12.339 4.624 1.00 61.33 O ATOM 531 OD2 ASP A 35 29.600 -14.208 3.600 1.00 41.10 O ATOM 0 H ASP A 35 27.813 -10.207 1.695 1.00 41.42 H new ATOM 0 HA ASP A 35 30.361 -11.011 2.731 1.00 12.22 H new ATOM 0 HB2 ASP A 35 27.751 -12.126 2.283 1.00 11.32 H new ATOM 0 HB3 ASP A 35 28.912 -13.158 1.472 1.00 11.32 H new ATOM 536 N ILE A 36 29.888 -10.994 -0.485 1.00 12.41 N ATOM 537 CA ILE A 36 30.538 -11.170 -1.777 1.00 63.33 C ATOM 538 C ILE A 36 31.294 -9.912 -2.189 1.00 1.50 C ATOM 539 O ILE A 36 32.154 -9.952 -3.070 1.00 13.32 O ATOM 540 CB ILE A 36 29.520 -11.526 -2.876 1.00 72.52 C ATOM 541 CG1 ILE A 36 30.217 -11.627 -4.235 1.00 14.13 C ATOM 542 CG2 ILE A 36 28.406 -10.491 -2.921 1.00 72.44 C ATOM 543 CD1 ILE A 36 30.089 -10.374 -5.073 1.00 60.42 C ATOM 0 H ILE A 36 28.992 -10.509 -0.526 1.00 12.41 H new ATOM 0 HA ILE A 36 31.243 -11.994 -1.665 1.00 63.33 H new ATOM 0 HB ILE A 36 29.080 -12.495 -2.642 1.00 72.52 H new ATOM 0 HG12 ILE A 36 31.274 -11.843 -4.077 1.00 14.13 H new ATOM 0 HG13 ILE A 36 29.799 -12.468 -4.787 1.00 14.13 H new ATOM 0 HG21 ILE A 36 27.694 -10.756 -3.703 1.00 72.44 H new ATOM 0 HG22 ILE A 36 27.895 -10.465 -1.959 1.00 72.44 H new ATOM 0 HG23 ILE A 36 28.830 -9.510 -3.134 1.00 72.44 H new ATOM 0 HD11 ILE A 36 30.606 -10.516 -6.022 1.00 60.42 H new ATOM 0 HD12 ILE A 36 29.035 -10.168 -5.261 1.00 60.42 H new ATOM 0 HD13 ILE A 36 30.533 -9.533 -4.540 1.00 60.42 H new ATOM 555 N ILE A 37 30.969 -8.796 -1.545 1.00 1.31 N ATOM 556 CA ILE A 37 31.620 -7.526 -1.842 1.00 54.41 C ATOM 557 C ILE A 37 33.125 -7.612 -1.613 1.00 14.25 C ATOM 558 O ILE A 37 33.887 -6.780 -2.106 1.00 32.40 O ATOM 559 CB ILE A 37 31.045 -6.384 -0.982 1.00 60.25 C ATOM 560 CG1 ILE A 37 31.401 -5.027 -1.594 1.00 30.44 C ATOM 561 CG2 ILE A 37 31.565 -6.482 0.444 1.00 44.32 C ATOM 562 CD1 ILE A 37 30.634 -4.715 -2.859 1.00 52.22 C ATOM 0 H ILE A 37 30.259 -8.746 -0.814 1.00 1.31 H new ATOM 0 HA ILE A 37 31.427 -7.311 -2.893 1.00 54.41 H new ATOM 0 HB ILE A 37 29.959 -6.477 -0.959 1.00 60.25 H new ATOM 0 HG12 ILE A 37 31.209 -4.245 -0.860 1.00 30.44 H new ATOM 0 HG13 ILE A 37 32.469 -5.004 -1.811 1.00 30.44 H new ATOM 0 HG21 ILE A 37 31.150 -5.669 1.039 1.00 44.32 H new ATOM 0 HG22 ILE A 37 31.265 -7.437 0.876 1.00 44.32 H new ATOM 0 HG23 ILE A 37 32.653 -6.411 0.440 1.00 44.32 H new ATOM 0 HD11 ILE A 37 30.937 -3.739 -3.237 1.00 52.22 H new ATOM 0 HD12 ILE A 37 30.845 -5.476 -3.610 1.00 52.22 H new ATOM 0 HD13 ILE A 37 29.566 -4.705 -2.644 1.00 52.22 H new ATOM 574 N ASP A 38 33.546 -8.624 -0.862 1.00 51.31 N ATOM 575 CA ASP A 38 34.961 -8.821 -0.569 1.00 72.11 C ATOM 576 C ASP A 38 35.588 -9.803 -1.554 1.00 51.21 C ATOM 577 O ASP A 38 36.569 -10.474 -1.236 1.00 34.33 O ATOM 578 CB ASP A 38 35.141 -9.330 0.862 1.00 61.01 C ATOM 579 CG ASP A 38 34.610 -8.355 1.894 1.00 32.23 C ATOM 580 OD1 ASP A 38 35.057 -7.190 1.894 1.00 3.55 O ATOM 581 OD2 ASP A 38 33.747 -8.758 2.703 1.00 61.14 O ATOM 0 H ASP A 38 32.928 -9.320 -0.445 1.00 51.31 H new ATOM 0 HA ASP A 38 35.465 -7.860 -0.671 1.00 72.11 H new ATOM 0 HB2 ASP A 38 34.628 -10.286 0.972 1.00 61.01 H new ATOM 0 HB3 ASP A 38 36.199 -9.512 1.049 1.00 61.01 H new ATOM 586 N GLU A 39 35.014 -9.881 -2.751 1.00 11.23 N ATOM 587 CA GLU A 39 35.516 -10.782 -3.781 1.00 23.31 C ATOM 588 C GLU A 39 36.389 -10.031 -4.782 1.00 70.45 C ATOM 589 O GLU A 39 37.461 -10.501 -5.162 1.00 11.22 O ATOM 590 CB GLU A 39 34.353 -11.460 -4.509 1.00 1.35 C ATOM 591 CG GLU A 39 33.733 -12.607 -3.729 1.00 13.33 C ATOM 592 CD GLU A 39 34.719 -13.724 -3.451 1.00 23.14 C ATOM 593 OE1 GLU A 39 35.719 -13.832 -4.191 1.00 74.13 O ATOM 594 OE2 GLU A 39 34.491 -14.491 -2.491 1.00 44.32 O ATOM 0 H GLU A 39 34.202 -9.331 -3.031 1.00 11.23 H new ATOM 0 HA GLU A 39 36.124 -11.545 -3.295 1.00 23.31 H new ATOM 0 HB2 GLU A 39 33.584 -10.717 -4.719 1.00 1.35 H new ATOM 0 HB3 GLU A 39 34.706 -11.834 -5.470 1.00 1.35 H new ATOM 0 HG2 GLU A 39 33.342 -12.229 -2.784 1.00 13.33 H new ATOM 0 HG3 GLU A 39 32.886 -13.006 -4.288 1.00 13.33 H new ATOM 601 N ASN A 40 35.920 -8.862 -5.207 1.00 24.32 N ATOM 602 CA ASN A 40 36.657 -8.046 -6.165 1.00 72.13 C ATOM 603 C ASN A 40 36.766 -8.754 -7.512 1.00 62.51 C ATOM 604 O ASN A 40 37.677 -8.484 -8.295 1.00 22.41 O ATOM 605 CB ASN A 40 38.054 -7.728 -5.629 1.00 31.14 C ATOM 606 CG ASN A 40 38.649 -6.487 -6.266 1.00 24.43 C ATOM 607 OD1 ASN A 40 39.214 -6.547 -7.358 1.00 71.11 O ATOM 608 ND2 ASN A 40 38.526 -5.355 -5.584 1.00 13.25 N ATOM 0 H ASN A 40 35.034 -8.459 -4.903 1.00 24.32 H new ATOM 0 HA ASN A 40 36.110 -7.114 -6.307 1.00 72.13 H new ATOM 0 HB2 ASN A 40 38.003 -7.590 -4.549 1.00 31.14 H new ATOM 0 HB3 ASN A 40 38.712 -8.578 -5.811 1.00 31.14 H new ATOM 0 HD21 ASN A 40 38.908 -4.488 -5.962 1.00 13.25 H new ATOM 0 HD22 ASN A 40 38.050 -5.352 -4.682 1.00 13.25 H new ATOM 615 N ASP A 41 35.832 -9.661 -7.775 1.00 34.10 N ATOM 616 CA ASP A 41 35.821 -10.408 -9.028 1.00 3.52 C ATOM 617 C ASP A 41 34.659 -9.968 -9.913 1.00 3.31 C ATOM 618 O ASP A 41 33.529 -9.821 -9.446 1.00 3.42 O ATOM 619 CB ASP A 41 35.728 -11.909 -8.751 1.00 11.21 C ATOM 620 CG ASP A 41 36.464 -12.735 -9.787 1.00 31.51 C ATOM 621 OD1 ASP A 41 36.760 -12.198 -10.875 1.00 11.43 O ATOM 622 OD2 ASP A 41 36.745 -13.920 -9.510 1.00 32.13 O ATOM 0 H ASP A 41 35.072 -9.897 -7.137 1.00 34.10 H new ATOM 0 HA ASP A 41 36.753 -10.201 -9.554 1.00 3.52 H new ATOM 0 HB2 ASP A 41 36.139 -12.120 -7.764 1.00 11.21 H new ATOM 0 HB3 ASP A 41 34.680 -12.208 -8.730 1.00 11.21 H new ATOM 627 N THR A 42 34.944 -9.758 -11.194 1.00 44.33 N ATOM 628 CA THR A 42 33.924 -9.332 -12.145 1.00 25.45 C ATOM 629 C THR A 42 32.931 -10.454 -12.424 1.00 30.44 C ATOM 630 O THR A 42 31.725 -10.221 -12.513 1.00 5.01 O ATOM 631 CB THR A 42 34.552 -8.875 -13.475 1.00 11.01 C ATOM 632 OG1 THR A 42 35.108 -9.999 -14.166 1.00 42.22 O ATOM 633 CG2 THR A 42 35.635 -7.835 -13.233 1.00 3.12 C ATOM 0 H THR A 42 35.873 -9.876 -11.597 1.00 44.33 H new ATOM 0 HA THR A 42 33.400 -8.491 -11.691 1.00 25.45 H new ATOM 0 HB THR A 42 33.769 -8.425 -14.085 1.00 11.01 H new ATOM 0 HG1 THR A 42 35.504 -9.700 -15.011 1.00 42.22 H new ATOM 0 HG21 THR A 42 36.064 -7.528 -14.187 1.00 3.12 H new ATOM 0 HG22 THR A 42 35.202 -6.968 -12.734 1.00 3.12 H new ATOM 0 HG23 THR A 42 36.416 -8.263 -12.605 1.00 3.12 H new ATOM 641 N ASP A 43 33.444 -11.672 -12.560 1.00 20.13 N ATOM 642 CA ASP A 43 32.601 -12.832 -12.827 1.00 11.40 C ATOM 643 C ASP A 43 31.667 -13.106 -11.653 1.00 34.32 C ATOM 644 O ASP A 43 30.478 -13.369 -11.839 1.00 43.44 O ATOM 645 CB ASP A 43 33.464 -14.063 -13.107 1.00 51.20 C ATOM 646 CG ASP A 43 32.778 -15.054 -14.027 1.00 13.25 C ATOM 647 OD1 ASP A 43 31.643 -14.770 -14.465 1.00 11.05 O ATOM 648 OD2 ASP A 43 33.376 -16.113 -14.309 1.00 12.11 O ATOM 0 H ASP A 43 34.440 -11.882 -12.490 1.00 20.13 H new ATOM 0 HA ASP A 43 31.995 -12.616 -13.707 1.00 11.40 H new ATOM 0 HB2 ASP A 43 34.406 -13.748 -13.555 1.00 51.20 H new ATOM 0 HB3 ASP A 43 33.707 -14.554 -12.165 1.00 51.20 H new ATOM 653 N VAL A 44 32.212 -13.045 -10.442 1.00 62.31 N ATOM 654 CA VAL A 44 31.428 -13.287 -9.237 1.00 71.51 C ATOM 655 C VAL A 44 30.430 -12.160 -8.995 1.00 62.40 C ATOM 656 O VAL A 44 29.291 -12.401 -8.597 1.00 71.43 O ATOM 657 CB VAL A 44 32.332 -13.433 -7.999 1.00 2.43 C ATOM 658 CG1 VAL A 44 31.496 -13.681 -6.753 1.00 13.13 C ATOM 659 CG2 VAL A 44 33.342 -14.552 -8.205 1.00 12.41 C ATOM 0 H VAL A 44 33.194 -12.830 -10.270 1.00 62.31 H new ATOM 0 HA VAL A 44 30.887 -14.220 -9.394 1.00 71.51 H new ATOM 0 HB VAL A 44 32.880 -12.501 -7.860 1.00 2.43 H new ATOM 0 HG11 VAL A 44 32.152 -13.782 -5.889 1.00 13.13 H new ATOM 0 HG12 VAL A 44 30.817 -12.843 -6.598 1.00 13.13 H new ATOM 0 HG13 VAL A 44 30.919 -14.597 -6.879 1.00 13.13 H new ATOM 0 HG21 VAL A 44 33.972 -14.641 -7.320 1.00 12.41 H new ATOM 0 HG22 VAL A 44 32.815 -15.492 -8.371 1.00 12.41 H new ATOM 0 HG23 VAL A 44 33.963 -14.326 -9.072 1.00 12.41 H new ATOM 669 N MET A 45 30.867 -10.929 -9.238 1.00 54.13 N ATOM 670 CA MET A 45 30.010 -9.764 -9.048 1.00 44.23 C ATOM 671 C MET A 45 28.911 -9.719 -10.105 1.00 44.41 C ATOM 672 O MET A 45 27.749 -9.460 -9.794 1.00 60.42 O ATOM 673 CB MET A 45 30.840 -8.480 -9.104 1.00 5.23 C ATOM 674 CG MET A 45 31.484 -8.114 -7.776 1.00 33.32 C ATOM 675 SD MET A 45 30.318 -7.365 -6.622 1.00 71.31 S ATOM 676 CE MET A 45 29.899 -5.858 -7.494 1.00 45.04 C ATOM 0 H MET A 45 31.808 -10.712 -9.566 1.00 54.13 H new ATOM 0 HA MET A 45 29.542 -9.844 -8.067 1.00 44.23 H new ATOM 0 HB2 MET A 45 31.620 -8.594 -9.857 1.00 5.23 H new ATOM 0 HB3 MET A 45 30.201 -7.658 -9.428 1.00 5.23 H new ATOM 0 HG2 MET A 45 31.911 -9.009 -7.325 1.00 33.32 H new ATOM 0 HG3 MET A 45 32.308 -7.423 -7.954 1.00 33.32 H new ATOM 0 HE1 MET A 45 30.054 -5.002 -6.837 1.00 45.04 H new ATOM 0 HE2 MET A 45 30.534 -5.759 -8.375 1.00 45.04 H new ATOM 0 HE3 MET A 45 28.854 -5.895 -7.802 1.00 45.04 H new ATOM 686 N MET A 46 29.287 -9.971 -11.355 1.00 4.24 N ATOM 687 CA MET A 46 28.332 -9.959 -12.457 1.00 24.43 C ATOM 688 C MET A 46 27.345 -11.116 -12.333 1.00 3.23 C ATOM 689 O MET A 46 26.160 -10.968 -12.632 1.00 4.40 O ATOM 690 CB MET A 46 29.066 -10.042 -13.797 1.00 2.54 C ATOM 691 CG MET A 46 29.570 -11.437 -14.129 1.00 41.40 C ATOM 692 SD MET A 46 30.416 -11.509 -15.720 1.00 13.11 S ATOM 693 CE MET A 46 29.034 -11.334 -16.846 1.00 50.00 C ATOM 0 H MET A 46 30.246 -10.186 -11.630 1.00 4.24 H new ATOM 0 HA MET A 46 27.776 -9.023 -12.413 1.00 24.43 H new ATOM 0 HB2 MET A 46 28.397 -9.708 -14.590 1.00 2.54 H new ATOM 0 HB3 MET A 46 29.911 -9.353 -13.782 1.00 2.54 H new ATOM 0 HG2 MET A 46 30.250 -11.770 -13.345 1.00 41.40 H new ATOM 0 HG3 MET A 46 28.729 -12.131 -14.137 1.00 41.40 H new ATOM 0 HE1 MET A 46 29.354 -11.588 -17.857 1.00 50.00 H new ATOM 0 HE2 MET A 46 28.229 -12.003 -16.541 1.00 50.00 H new ATOM 0 HE3 MET A 46 28.677 -10.304 -16.826 1.00 50.00 H new ATOM 703 N ASP A 47 27.841 -12.266 -11.890 1.00 62.03 N ATOM 704 CA ASP A 47 27.002 -13.448 -11.726 1.00 44.41 C ATOM 705 C ASP A 47 26.057 -13.282 -10.540 1.00 63.50 C ATOM 706 O ASP A 47 24.889 -13.664 -10.606 1.00 74.23 O ATOM 707 CB ASP A 47 27.870 -14.692 -11.533 1.00 71.44 C ATOM 708 CG ASP A 47 27.055 -15.913 -11.156 1.00 35.53 C ATOM 709 OD1 ASP A 47 26.115 -16.255 -11.904 1.00 53.33 O ATOM 710 OD2 ASP A 47 27.357 -16.528 -10.112 1.00 32.41 O ATOM 0 H ASP A 47 28.820 -12.405 -11.638 1.00 62.03 H new ATOM 0 HA ASP A 47 26.404 -13.569 -12.630 1.00 44.41 H new ATOM 0 HB2 ASP A 47 28.419 -14.895 -12.453 1.00 71.44 H new ATOM 0 HB3 ASP A 47 28.610 -14.498 -10.756 1.00 71.44 H new ATOM 715 N PHE A 48 26.571 -12.712 -9.455 1.00 63.43 N ATOM 716 CA PHE A 48 25.774 -12.499 -8.253 1.00 50.42 C ATOM 717 C PHE A 48 24.726 -11.413 -8.481 1.00 45.33 C ATOM 718 O PHE A 48 23.560 -11.577 -8.124 1.00 55.40 O ATOM 719 CB PHE A 48 26.676 -12.114 -7.079 1.00 2.12 C ATOM 720 CG PHE A 48 25.925 -11.559 -5.903 1.00 1.44 C ATOM 721 CD1 PHE A 48 25.673 -10.200 -5.804 1.00 14.12 C ATOM 722 CD2 PHE A 48 25.472 -12.395 -4.895 1.00 60.55 C ATOM 723 CE1 PHE A 48 24.981 -9.686 -4.723 1.00 3.31 C ATOM 724 CE2 PHE A 48 24.780 -11.887 -3.813 1.00 31.14 C ATOM 725 CZ PHE A 48 24.535 -10.530 -3.726 1.00 24.45 C ATOM 0 H PHE A 48 27.536 -12.389 -9.384 1.00 63.43 H new ATOM 0 HA PHE A 48 25.261 -13.431 -8.017 1.00 50.42 H new ATOM 0 HB2 PHE A 48 27.238 -12.992 -6.760 1.00 2.12 H new ATOM 0 HB3 PHE A 48 27.403 -11.376 -7.417 1.00 2.12 H new ATOM 0 HD1 PHE A 48 26.021 -9.535 -6.580 1.00 14.12 H new ATOM 0 HD2 PHE A 48 25.662 -13.456 -4.956 1.00 60.55 H new ATOM 0 HE1 PHE A 48 24.790 -8.625 -4.659 1.00 3.31 H new ATOM 0 HE2 PHE A 48 24.431 -12.550 -3.035 1.00 31.14 H new ATOM 0 HZ PHE A 48 23.996 -10.131 -2.880 1.00 24.45 H new ATOM 735 N ILE A 49 25.152 -10.304 -9.078 1.00 23.42 N ATOM 736 CA ILE A 49 24.252 -9.192 -9.354 1.00 52.01 C ATOM 737 C ILE A 49 23.158 -9.601 -10.335 1.00 11.33 C ATOM 738 O ILE A 49 21.976 -9.342 -10.106 1.00 24.44 O ATOM 739 CB ILE A 49 25.012 -7.981 -9.926 1.00 42.02 C ATOM 740 CG1 ILE A 49 25.388 -7.011 -8.804 1.00 51.33 C ATOM 741 CG2 ILE A 49 24.172 -7.279 -10.982 1.00 52.41 C ATOM 742 CD1 ILE A 49 26.741 -7.293 -8.190 1.00 10.54 C ATOM 0 H ILE A 49 26.115 -10.153 -9.379 1.00 23.42 H new ATOM 0 HA ILE A 49 23.798 -8.910 -8.404 1.00 52.01 H new ATOM 0 HB ILE A 49 25.929 -8.335 -10.397 1.00 42.02 H new ATOM 0 HG12 ILE A 49 25.381 -5.994 -9.196 1.00 51.33 H new ATOM 0 HG13 ILE A 49 24.627 -7.057 -8.025 1.00 51.33 H new ATOM 0 HG21 ILE A 49 24.723 -6.425 -11.377 1.00 52.41 H new ATOM 0 HG22 ILE A 49 23.951 -7.974 -11.792 1.00 52.41 H new ATOM 0 HG23 ILE A 49 23.240 -6.934 -10.535 1.00 52.41 H new ATOM 0 HD11 ILE A 49 26.942 -6.567 -7.402 1.00 10.54 H new ATOM 0 HD12 ILE A 49 26.747 -8.298 -7.767 1.00 10.54 H new ATOM 0 HD13 ILE A 49 27.512 -7.218 -8.957 1.00 10.54 H new ATOM 754 N SER A 50 23.560 -10.242 -11.428 1.00 12.15 N ATOM 755 CA SER A 50 22.614 -10.685 -12.445 1.00 31.31 C ATOM 756 C SER A 50 21.639 -11.710 -11.871 1.00 45.42 C ATOM 757 O SER A 50 20.458 -11.720 -12.217 1.00 60.11 O ATOM 758 CB SER A 50 23.360 -11.287 -13.638 1.00 11.34 C ATOM 759 OG SER A 50 22.537 -11.318 -14.791 1.00 32.44 O ATOM 0 H SER A 50 24.534 -10.466 -11.632 1.00 12.15 H new ATOM 0 HA SER A 50 22.046 -9.817 -12.780 1.00 31.31 H new ATOM 0 HB2 SER A 50 24.257 -10.702 -13.843 1.00 11.34 H new ATOM 0 HB3 SER A 50 23.688 -12.298 -13.394 1.00 11.34 H new ATOM 0 HG SER A 50 23.037 -11.705 -15.540 1.00 32.44 H new ATOM 765 N ARG A 51 22.144 -12.569 -10.992 1.00 61.44 N ATOM 766 CA ARG A 51 21.320 -13.599 -10.371 1.00 12.11 C ATOM 767 C ARG A 51 20.417 -12.998 -9.298 1.00 0.15 C ATOM 768 O ARG A 51 19.321 -13.497 -9.043 1.00 14.10 O ATOM 769 CB ARG A 51 22.202 -14.688 -9.759 1.00 23.32 C ATOM 770 CG ARG A 51 22.715 -15.698 -10.773 1.00 34.23 C ATOM 771 CD ARG A 51 21.622 -16.669 -11.192 1.00 64.43 C ATOM 772 NE ARG A 51 22.014 -17.465 -12.353 1.00 14.10 N ATOM 773 CZ ARG A 51 22.122 -16.969 -13.581 1.00 33.52 C ATOM 774 NH1 ARG A 51 21.870 -15.688 -13.807 1.00 13.55 N ATOM 775 NH2 ARG A 51 22.483 -17.757 -14.586 1.00 0.12 N ATOM 0 H ARG A 51 23.119 -12.572 -10.694 1.00 61.44 H new ATOM 0 HA ARG A 51 20.692 -14.042 -11.144 1.00 12.11 H new ATOM 0 HB2 ARG A 51 23.052 -14.219 -9.264 1.00 23.32 H new ATOM 0 HB3 ARG A 51 21.635 -15.213 -8.990 1.00 23.32 H new ATOM 0 HG2 ARG A 51 23.094 -15.174 -11.650 1.00 34.23 H new ATOM 0 HG3 ARG A 51 23.551 -16.252 -10.346 1.00 34.23 H new ATOM 0 HD2 ARG A 51 21.388 -17.333 -10.360 1.00 64.43 H new ATOM 0 HD3 ARG A 51 20.713 -16.114 -11.423 1.00 64.43 H new ATOM 0 HE ARG A 51 22.216 -18.455 -12.213 1.00 14.10 H new ATOM 0 HH11 ARG A 51 21.592 -15.079 -13.037 1.00 13.55 H new ATOM 0 HH12 ARG A 51 21.954 -15.311 -14.751 1.00 13.55 H new ATOM 0 HH21 ARG A 51 22.678 -18.744 -14.416 1.00 0.12 H new ATOM 0 HH22 ARG A 51 22.566 -17.376 -15.529 1.00 0.12 H new ATOM 789 N PHE A 52 20.886 -11.924 -8.671 1.00 12.02 N ATOM 790 CA PHE A 52 20.122 -11.256 -7.624 1.00 11.43 C ATOM 791 C PHE A 52 19.216 -10.179 -8.214 1.00 72.33 C ATOM 792 O PHE A 52 18.320 -9.670 -7.542 1.00 54.02 O ATOM 793 CB PHE A 52 21.066 -10.634 -6.592 1.00 73.02 C ATOM 794 CG PHE A 52 21.373 -11.543 -5.437 1.00 25.12 C ATOM 795 CD1 PHE A 52 21.929 -12.794 -5.652 1.00 22.15 C ATOM 796 CD2 PHE A 52 21.108 -11.147 -4.136 1.00 54.42 C ATOM 797 CE1 PHE A 52 22.213 -13.633 -4.590 1.00 54.32 C ATOM 798 CE2 PHE A 52 21.389 -11.981 -3.071 1.00 2.23 C ATOM 799 CZ PHE A 52 21.944 -13.225 -3.298 1.00 75.21 C ATOM 0 H PHE A 52 21.791 -11.498 -8.870 1.00 12.02 H new ATOM 0 HA PHE A 52 19.498 -12.002 -7.133 1.00 11.43 H new ATOM 0 HB2 PHE A 52 21.998 -10.357 -7.084 1.00 73.02 H new ATOM 0 HB3 PHE A 52 20.621 -9.714 -6.212 1.00 73.02 H new ATOM 0 HD1 PHE A 52 22.143 -13.117 -6.660 1.00 22.15 H new ATOM 0 HD2 PHE A 52 20.676 -10.174 -3.952 1.00 54.42 H new ATOM 0 HE1 PHE A 52 22.645 -14.606 -4.771 1.00 54.32 H new ATOM 0 HE2 PHE A 52 21.175 -11.660 -2.062 1.00 2.23 H new ATOM 0 HZ PHE A 52 22.167 -13.878 -2.467 1.00 75.21 H new ATOM 809 N ALA A 53 19.457 -9.838 -9.476 1.00 21.01 N ATOM 810 CA ALA A 53 18.663 -8.824 -10.158 1.00 40.12 C ATOM 811 C ALA A 53 17.916 -9.419 -11.347 1.00 64.31 C ATOM 812 O ALA A 53 18.200 -10.539 -11.773 1.00 23.13 O ATOM 813 CB ALA A 53 19.551 -7.675 -10.612 1.00 64.00 C ATOM 0 H ALA A 53 20.196 -10.249 -10.046 1.00 21.01 H new ATOM 0 HA ALA A 53 17.925 -8.442 -9.453 1.00 40.12 H new ATOM 0 HB1 ALA A 53 18.944 -6.925 -11.120 1.00 64.00 H new ATOM 0 HB2 ALA A 53 20.035 -7.224 -9.745 1.00 64.00 H new ATOM 0 HB3 ALA A 53 20.311 -8.051 -11.297 1.00 64.00 H new ATOM 819 N ARG A 54 16.961 -8.664 -11.878 1.00 53.13 N ATOM 820 CA ARG A 54 16.172 -9.118 -13.017 1.00 70.51 C ATOM 821 C ARG A 54 15.648 -7.934 -13.823 1.00 42.53 C ATOM 822 O ARG A 54 14.673 -8.055 -14.565 1.00 72.32 O ATOM 823 CB ARG A 54 15.003 -9.983 -12.542 1.00 55.22 C ATOM 824 CG ARG A 54 15.267 -11.476 -12.646 1.00 41.12 C ATOM 825 CD ARG A 54 15.083 -11.976 -14.070 1.00 61.53 C ATOM 826 NE ARG A 54 16.347 -12.026 -14.801 1.00 32.13 N ATOM 827 CZ ARG A 54 17.322 -12.884 -14.524 1.00 24.11 C ATOM 828 NH1 ARG A 54 17.180 -13.760 -13.538 1.00 51.45 N ATOM 829 NH2 ARG A 54 18.443 -12.868 -15.234 1.00 3.42 N ATOM 0 H ARG A 54 16.714 -7.735 -11.538 1.00 53.13 H new ATOM 0 HA ARG A 54 16.819 -9.714 -13.660 1.00 70.51 H new ATOM 0 HB2 ARG A 54 14.776 -9.734 -11.505 1.00 55.22 H new ATOM 0 HB3 ARG A 54 14.118 -9.737 -13.130 1.00 55.22 H new ATOM 0 HG2 ARG A 54 16.282 -11.691 -12.312 1.00 41.12 H new ATOM 0 HG3 ARG A 54 14.592 -12.013 -11.980 1.00 41.12 H new ATOM 0 HD2 ARG A 54 14.636 -12.970 -14.050 1.00 61.53 H new ATOM 0 HD3 ARG A 54 14.386 -11.324 -14.596 1.00 61.53 H new ATOM 0 HE ARG A 54 16.488 -11.366 -15.566 1.00 32.13 H new ATOM 0 HH11 ARG A 54 16.320 -13.776 -12.990 1.00 51.45 H new ATOM 0 HH12 ARG A 54 17.931 -14.418 -13.328 1.00 51.45 H new ATOM 0 HH21 ARG A 54 18.556 -12.196 -15.993 1.00 3.42 H new ATOM 0 HH22 ARG A 54 19.191 -13.527 -15.021 1.00 3.42 H new ATOM 843 N THR A 55 16.302 -6.786 -13.672 1.00 65.04 N ATOM 844 CA THR A 55 15.902 -5.579 -14.384 1.00 44.12 C ATOM 845 C THR A 55 14.398 -5.353 -14.282 1.00 63.54 C ATOM 846 O THR A 55 13.637 -5.782 -15.149 1.00 74.25 O ATOM 847 CB THR A 55 16.301 -5.645 -15.871 1.00 34.32 C ATOM 848 OG1 THR A 55 16.136 -6.980 -16.363 1.00 5.02 O ATOM 849 CG2 THR A 55 17.743 -5.202 -16.065 1.00 53.50 C ATOM 0 H THR A 55 17.111 -6.667 -13.063 1.00 65.04 H new ATOM 0 HA THR A 55 16.424 -4.746 -13.912 1.00 44.12 H new ATOM 0 HB THR A 55 15.653 -4.969 -16.429 1.00 34.32 H new ATOM 0 HG1 THR A 55 15.256 -7.320 -16.098 1.00 5.02 H new ATOM 0 HG21 THR A 55 18.001 -5.257 -17.122 1.00 53.50 H new ATOM 0 HG22 THR A 55 17.858 -4.176 -15.716 1.00 53.50 H new ATOM 0 HG23 THR A 55 18.404 -5.855 -15.495 1.00 53.50 H new ATOM 857 N ASP A 56 13.977 -4.678 -13.219 1.00 52.00 N ATOM 858 CA ASP A 56 12.563 -4.394 -13.005 1.00 15.11 C ATOM 859 C ASP A 56 12.356 -2.938 -12.597 1.00 24.52 C ATOM 860 O ASP A 56 13.293 -2.267 -12.165 1.00 52.15 O ATOM 861 CB ASP A 56 11.990 -5.323 -11.933 1.00 43.02 C ATOM 862 CG ASP A 56 11.519 -6.646 -12.505 1.00 42.41 C ATOM 863 OD1 ASP A 56 10.883 -6.635 -13.580 1.00 45.23 O ATOM 864 OD2 ASP A 56 11.787 -7.692 -11.878 1.00 50.41 O ATOM 0 H ASP A 56 14.595 -4.317 -12.492 1.00 52.00 H new ATOM 0 HA ASP A 56 12.037 -4.568 -13.944 1.00 15.11 H new ATOM 0 HB2 ASP A 56 12.750 -5.509 -11.174 1.00 43.02 H new ATOM 0 HB3 ASP A 56 11.156 -4.828 -11.435 1.00 43.02 H new ATOM 869 N GLU A 57 11.125 -2.458 -12.738 1.00 33.45 N ATOM 870 CA GLU A 57 10.797 -1.082 -12.385 1.00 42.11 C ATOM 871 C GLU A 57 9.736 -1.039 -11.289 1.00 4.40 C ATOM 872 O GLU A 57 9.422 -2.058 -10.675 1.00 31.34 O ATOM 873 CB GLU A 57 10.305 -0.320 -13.617 1.00 53.11 C ATOM 874 CG GLU A 57 8.915 -0.732 -14.073 1.00 20.44 C ATOM 875 CD GLU A 57 8.582 -0.224 -15.462 1.00 15.03 C ATOM 876 OE1 GLU A 57 8.501 1.010 -15.638 1.00 33.14 O ATOM 877 OE2 GLU A 57 8.401 -1.059 -16.372 1.00 62.13 O ATOM 0 H GLU A 57 10.339 -3.001 -13.094 1.00 33.45 H new ATOM 0 HA GLU A 57 11.702 -0.605 -12.009 1.00 42.11 H new ATOM 0 HB2 GLU A 57 10.304 0.748 -13.397 1.00 53.11 H new ATOM 0 HB3 GLU A 57 11.008 -0.477 -14.435 1.00 53.11 H new ATOM 0 HG2 GLU A 57 8.840 -1.819 -14.060 1.00 20.44 H new ATOM 0 HG3 GLU A 57 8.177 -0.353 -13.365 1.00 20.44 H new ATOM 884 N ILE A 58 9.190 0.149 -11.050 1.00 33.54 N ATOM 885 CA ILE A 58 8.164 0.325 -10.029 1.00 24.03 C ATOM 886 C ILE A 58 6.804 0.602 -10.658 1.00 55.13 C ATOM 887 O ILE A 58 6.680 1.442 -11.549 1.00 42.03 O ATOM 888 CB ILE A 58 8.518 1.477 -9.069 1.00 73.32 C ATOM 889 CG1 ILE A 58 9.396 2.509 -9.779 1.00 3.25 C ATOM 890 CG2 ILE A 58 9.218 0.938 -7.831 1.00 4.32 C ATOM 891 CD1 ILE A 58 8.686 3.242 -10.895 1.00 61.22 C ATOM 0 H ILE A 58 9.441 1.003 -11.549 1.00 33.54 H new ATOM 0 HA ILE A 58 8.117 -0.606 -9.465 1.00 24.03 H new ATOM 0 HB ILE A 58 7.596 1.967 -8.756 1.00 73.32 H new ATOM 0 HG12 ILE A 58 9.753 3.235 -9.048 1.00 3.25 H new ATOM 0 HG13 ILE A 58 10.275 2.008 -10.186 1.00 3.25 H new ATOM 0 HG21 ILE A 58 9.462 1.764 -7.162 1.00 4.32 H new ATOM 0 HG22 ILE A 58 8.560 0.237 -7.317 1.00 4.32 H new ATOM 0 HG23 ILE A 58 10.135 0.426 -8.125 1.00 4.32 H new ATOM 0 HD11 ILE A 58 9.369 3.957 -11.353 1.00 61.22 H new ATOM 0 HD12 ILE A 58 8.353 2.526 -11.646 1.00 61.22 H new ATOM 0 HD13 ILE A 58 7.823 3.772 -10.491 1.00 61.22 H new ATOM 903 N MET A 59 5.784 -0.109 -10.188 1.00 0.34 N ATOM 904 CA MET A 59 4.431 0.063 -10.703 1.00 14.23 C ATOM 905 C MET A 59 3.811 1.356 -10.182 1.00 40.45 C ATOM 906 O MET A 59 4.265 1.938 -9.197 1.00 45.01 O ATOM 907 CB MET A 59 3.557 -1.129 -10.309 1.00 32.22 C ATOM 908 CG MET A 59 3.770 -2.354 -11.183 1.00 63.22 C ATOM 909 SD MET A 59 3.220 -2.100 -12.881 1.00 74.12 S ATOM 910 CE MET A 59 2.084 -3.471 -13.077 1.00 54.25 C ATOM 0 H MET A 59 5.869 -0.810 -9.451 1.00 0.34 H new ATOM 0 HA MET A 59 4.488 0.120 -11.790 1.00 14.23 H new ATOM 0 HB2 MET A 59 3.763 -1.393 -9.272 1.00 32.22 H new ATOM 0 HB3 MET A 59 2.509 -0.834 -10.361 1.00 32.22 H new ATOM 0 HG2 MET A 59 4.828 -2.616 -11.183 1.00 63.22 H new ATOM 0 HG3 MET A 59 3.233 -3.200 -10.754 1.00 63.22 H new ATOM 0 HE1 MET A 59 1.659 -3.451 -14.081 1.00 54.25 H new ATOM 0 HE2 MET A 59 2.617 -4.410 -12.927 1.00 54.25 H new ATOM 0 HE3 MET A 59 1.283 -3.388 -12.342 1.00 54.25 H new ATOM 920 N PRO A 60 2.749 1.819 -10.859 1.00 31.34 N ATOM 921 CA PRO A 60 2.045 3.048 -10.482 1.00 74.10 C ATOM 922 C PRO A 60 1.271 2.896 -9.177 1.00 11.12 C ATOM 923 O PRO A 60 0.900 3.886 -8.546 1.00 62.44 O ATOM 924 CB PRO A 60 1.083 3.278 -11.650 1.00 74.33 C ATOM 925 CG PRO A 60 0.862 1.924 -12.231 1.00 60.32 C ATOM 926 CD PRO A 60 2.153 1.177 -12.042 1.00 63.35 C ATOM 0 HA PRO A 60 2.733 3.875 -10.309 1.00 74.10 H new ATOM 0 HB2 PRO A 60 0.147 3.721 -11.310 1.00 74.33 H new ATOM 0 HB3 PRO A 60 1.509 3.960 -12.386 1.00 74.33 H new ATOM 0 HG2 PRO A 60 0.039 1.414 -11.730 1.00 60.32 H new ATOM 0 HG3 PRO A 60 0.600 1.990 -13.287 1.00 60.32 H new ATOM 0 HD2 PRO A 60 1.981 0.113 -11.878 1.00 63.35 H new ATOM 0 HD3 PRO A 60 2.799 1.265 -12.915 1.00 63.35 H new ATOM 934 N GLU A 61 1.031 1.651 -8.778 1.00 22.14 N ATOM 935 CA GLU A 61 0.301 1.371 -7.547 1.00 11.32 C ATOM 936 C GLU A 61 1.244 1.352 -6.347 1.00 52.11 C ATOM 937 O GLU A 61 0.807 1.440 -5.199 1.00 70.34 O ATOM 938 CB GLU A 61 -0.431 0.032 -7.655 1.00 55.22 C ATOM 939 CG GLU A 61 0.456 -1.171 -7.381 1.00 55.40 C ATOM 940 CD GLU A 61 0.057 -2.387 -8.194 1.00 51.12 C ATOM 941 OE1 GLU A 61 -1.154 -2.567 -8.438 1.00 73.22 O ATOM 942 OE2 GLU A 61 0.957 -3.158 -8.587 1.00 23.43 O ATOM 0 H GLU A 61 1.331 0.821 -9.289 1.00 22.14 H new ATOM 0 HA GLU A 61 -0.430 2.166 -7.400 1.00 11.32 H new ATOM 0 HB2 GLU A 61 -1.265 0.026 -6.953 1.00 55.22 H new ATOM 0 HB3 GLU A 61 -0.856 -0.061 -8.655 1.00 55.22 H new ATOM 0 HG2 GLU A 61 1.491 -0.913 -7.604 1.00 55.40 H new ATOM 0 HG3 GLU A 61 0.411 -1.417 -6.320 1.00 55.40 H new ATOM 949 N ASP A 62 2.538 1.236 -6.622 1.00 3.45 N ATOM 950 CA ASP A 62 3.544 1.206 -5.566 1.00 10.01 C ATOM 951 C ASP A 62 4.534 2.356 -5.725 1.00 71.31 C ATOM 952 O ASP A 62 4.278 3.313 -6.457 1.00 25.35 O ATOM 953 CB ASP A 62 4.288 -0.130 -5.580 1.00 5.04 C ATOM 954 CG ASP A 62 3.403 -1.282 -6.011 1.00 55.03 C ATOM 955 OD1 ASP A 62 2.421 -1.576 -5.297 1.00 54.34 O ATOM 956 OD2 ASP A 62 3.691 -1.889 -7.064 1.00 34.45 O ATOM 0 H ASP A 62 2.916 1.161 -7.567 1.00 3.45 H new ATOM 0 HA ASP A 62 3.035 1.320 -4.609 1.00 10.01 H new ATOM 0 HB2 ASP A 62 5.142 -0.060 -6.254 1.00 5.04 H new ATOM 0 HB3 ASP A 62 4.684 -0.332 -4.585 1.00 5.04 H new ATOM 961 N LYS A 63 5.665 2.256 -5.035 1.00 32.12 N ATOM 962 CA LYS A 63 6.694 3.286 -5.099 1.00 3.43 C ATOM 963 C LYS A 63 8.078 2.688 -4.868 1.00 2.03 C ATOM 964 O LYS A 63 8.222 1.478 -4.690 1.00 75.25 O ATOM 965 CB LYS A 63 6.419 4.377 -4.061 1.00 33.33 C ATOM 966 CG LYS A 63 5.293 4.032 -3.101 1.00 1.21 C ATOM 967 CD LYS A 63 5.168 5.066 -1.994 1.00 53.04 C ATOM 968 CE LYS A 63 4.301 6.240 -2.424 1.00 45.11 C ATOM 969 NZ LYS A 63 5.122 7.402 -2.865 1.00 55.30 N ATOM 0 H LYS A 63 5.892 1.471 -4.424 1.00 32.12 H new ATOM 0 HA LYS A 63 6.669 3.727 -6.096 1.00 3.43 H new ATOM 0 HB2 LYS A 63 7.329 4.561 -3.490 1.00 33.33 H new ATOM 0 HB3 LYS A 63 6.174 5.305 -4.578 1.00 33.33 H new ATOM 0 HG2 LYS A 63 4.353 3.969 -3.649 1.00 1.21 H new ATOM 0 HG3 LYS A 63 5.474 3.050 -2.664 1.00 1.21 H new ATOM 0 HD2 LYS A 63 4.739 4.601 -1.107 1.00 53.04 H new ATOM 0 HD3 LYS A 63 6.159 5.426 -1.717 1.00 53.04 H new ATOM 0 HE2 LYS A 63 3.645 5.929 -3.237 1.00 45.11 H new ATOM 0 HE3 LYS A 63 3.660 6.541 -1.595 1.00 45.11 H new ATOM 0 HZ1 LYS A 63 4.581 7.971 -3.547 1.00 55.30 H new ATOM 0 HZ2 LYS A 63 5.365 7.988 -2.041 1.00 55.30 H new ATOM 0 HZ3 LYS A 63 5.995 7.060 -3.315 1.00 55.30 H new ATOM 983 N THR A 64 9.096 3.544 -4.869 1.00 71.54 N ATOM 984 CA THR A 64 10.468 3.099 -4.660 1.00 0.42 C ATOM 985 C THR A 64 11.091 3.789 -3.451 1.00 54.13 C ATOM 986 O THR A 64 11.123 5.017 -3.373 1.00 45.33 O ATOM 987 CB THR A 64 11.342 3.372 -5.899 1.00 20.44 C ATOM 988 OG1 THR A 64 11.513 2.166 -6.652 1.00 70.01 O ATOM 989 CG2 THR A 64 12.702 3.919 -5.492 1.00 20.42 C ATOM 0 H THR A 64 8.996 4.549 -5.012 1.00 71.54 H new ATOM 0 HA THR A 64 10.428 2.024 -4.482 1.00 0.42 H new ATOM 0 HB THR A 64 10.838 4.117 -6.515 1.00 20.44 H new ATOM 0 HG1 THR A 64 11.460 2.368 -7.610 1.00 70.01 H new ATOM 0 HG21 THR A 64 13.301 4.104 -6.383 1.00 20.42 H new ATOM 0 HG22 THR A 64 12.570 4.852 -4.944 1.00 20.42 H new ATOM 0 HG23 THR A 64 13.211 3.194 -4.857 1.00 20.42 H new ATOM 997 N VAL A 65 11.585 2.991 -2.510 1.00 13.32 N ATOM 998 CA VAL A 65 12.208 3.525 -1.305 1.00 44.41 C ATOM 999 C VAL A 65 13.256 4.578 -1.649 1.00 62.02 C ATOM 1000 O VAL A 65 13.303 5.645 -1.039 1.00 54.55 O ATOM 1001 CB VAL A 65 12.871 2.410 -0.474 1.00 54.32 C ATOM 1002 CG1 VAL A 65 12.993 2.831 0.982 1.00 24.35 C ATOM 1003 CG2 VAL A 65 12.083 1.115 -0.599 1.00 64.41 C ATOM 0 H VAL A 65 11.566 1.972 -2.559 1.00 13.32 H new ATOM 0 HA VAL A 65 11.414 3.984 -0.716 1.00 44.41 H new ATOM 0 HB VAL A 65 13.875 2.237 -0.862 1.00 54.32 H new ATOM 0 HG11 VAL A 65 13.463 2.031 1.554 1.00 24.35 H new ATOM 0 HG12 VAL A 65 13.602 3.732 1.050 1.00 24.35 H new ATOM 0 HG13 VAL A 65 12.001 3.032 1.387 1.00 24.35 H new ATOM 0 HG21 VAL A 65 12.565 0.337 -0.006 1.00 64.41 H new ATOM 0 HG22 VAL A 65 11.067 1.271 -0.236 1.00 64.41 H new ATOM 0 HG23 VAL A 65 12.052 0.807 -1.644 1.00 64.41 H new ATOM 1013 N GLY A 66 14.097 4.269 -2.632 1.00 51.31 N ATOM 1014 CA GLY A 66 15.133 5.199 -3.041 1.00 43.12 C ATOM 1015 C GLY A 66 16.295 4.507 -3.726 1.00 43.51 C ATOM 1016 O GLY A 66 16.198 3.339 -4.102 1.00 13.10 O ATOM 0 H GLY A 66 14.079 3.392 -3.152 1.00 51.31 H new ATOM 0 HA2 GLY A 66 14.706 5.940 -3.717 1.00 43.12 H new ATOM 0 HA3 GLY A 66 15.499 5.738 -2.167 1.00 43.12 H new ATOM 1020 N PHE A 67 17.398 5.230 -3.891 1.00 2.22 N ATOM 1021 CA PHE A 67 18.583 4.680 -4.538 1.00 25.21 C ATOM 1022 C PHE A 67 19.820 4.877 -3.666 1.00 62.11 C ATOM 1023 O PHE A 67 19.997 5.927 -3.048 1.00 61.21 O ATOM 1024 CB PHE A 67 18.797 5.338 -5.903 1.00 25.24 C ATOM 1025 CG PHE A 67 19.086 6.809 -5.820 1.00 4.42 C ATOM 1026 CD1 PHE A 67 20.383 7.266 -5.648 1.00 24.43 C ATOM 1027 CD2 PHE A 67 18.061 7.737 -5.915 1.00 22.45 C ATOM 1028 CE1 PHE A 67 20.652 8.619 -5.570 1.00 53.14 C ATOM 1029 CE2 PHE A 67 18.323 9.092 -5.838 1.00 65.44 C ATOM 1030 CZ PHE A 67 19.621 9.533 -5.667 1.00 53.31 C ATOM 0 H PHE A 67 17.496 6.198 -3.585 1.00 2.22 H new ATOM 0 HA PHE A 67 18.426 3.611 -4.679 1.00 25.21 H new ATOM 0 HB2 PHE A 67 19.624 4.842 -6.411 1.00 25.24 H new ATOM 0 HB3 PHE A 67 17.908 5.184 -6.515 1.00 25.24 H new ATOM 0 HD1 PHE A 67 21.193 6.556 -5.574 1.00 24.43 H new ATOM 0 HD2 PHE A 67 17.045 7.397 -6.051 1.00 22.45 H new ATOM 0 HE1 PHE A 67 21.667 8.961 -5.433 1.00 53.14 H new ATOM 0 HE2 PHE A 67 17.515 9.804 -5.911 1.00 65.44 H new ATOM 0 HZ PHE A 67 19.829 10.591 -5.609 1.00 53.31 H new ATOM 1040 N VAL A 68 20.674 3.859 -3.621 1.00 75.40 N ATOM 1041 CA VAL A 68 21.894 3.919 -2.826 1.00 22.20 C ATOM 1042 C VAL A 68 23.132 3.828 -3.712 1.00 12.15 C ATOM 1043 O VAL A 68 23.237 2.944 -4.562 1.00 31.24 O ATOM 1044 CB VAL A 68 21.940 2.788 -1.781 1.00 71.13 C ATOM 1045 CG1 VAL A 68 23.215 2.874 -0.956 1.00 60.15 C ATOM 1046 CG2 VAL A 68 20.711 2.840 -0.886 1.00 3.32 C ATOM 0 H VAL A 68 20.543 2.983 -4.126 1.00 75.40 H new ATOM 0 HA VAL A 68 21.889 4.879 -2.311 1.00 22.20 H new ATOM 0 HB VAL A 68 21.939 1.832 -2.305 1.00 71.13 H new ATOM 0 HG11 VAL A 68 23.229 2.067 -0.223 1.00 60.15 H new ATOM 0 HG12 VAL A 68 24.080 2.783 -1.613 1.00 60.15 H new ATOM 0 HG13 VAL A 68 23.250 3.833 -0.440 1.00 60.15 H new ATOM 0 HG21 VAL A 68 20.760 2.034 -0.154 1.00 3.32 H new ATOM 0 HG22 VAL A 68 20.678 3.799 -0.369 1.00 3.32 H new ATOM 0 HG23 VAL A 68 19.813 2.724 -1.493 1.00 3.32 H new ATOM 1056 N VAL A 69 24.068 4.749 -3.506 1.00 64.14 N ATOM 1057 CA VAL A 69 25.301 4.772 -4.285 1.00 12.50 C ATOM 1058 C VAL A 69 26.488 4.308 -3.449 1.00 1.42 C ATOM 1059 O VAL A 69 26.814 4.910 -2.426 1.00 12.45 O ATOM 1060 CB VAL A 69 25.592 6.183 -4.832 1.00 62.51 C ATOM 1061 CG1 VAL A 69 26.792 6.155 -5.767 1.00 55.32 C ATOM 1062 CG2 VAL A 69 24.367 6.743 -5.539 1.00 22.11 C ATOM 0 H VAL A 69 23.996 5.488 -2.807 1.00 64.14 H new ATOM 0 HA VAL A 69 25.160 4.087 -5.121 1.00 12.50 H new ATOM 0 HB VAL A 69 25.830 6.838 -3.994 1.00 62.51 H new ATOM 0 HG11 VAL A 69 26.983 7.160 -6.144 1.00 55.32 H new ATOM 0 HG12 VAL A 69 27.668 5.798 -5.225 1.00 55.32 H new ATOM 0 HG13 VAL A 69 26.586 5.487 -6.603 1.00 55.32 H new ATOM 0 HG21 VAL A 69 24.590 7.740 -5.919 1.00 22.11 H new ATOM 0 HG22 VAL A 69 24.096 6.091 -6.369 1.00 22.11 H new ATOM 0 HG23 VAL A 69 23.536 6.800 -4.836 1.00 22.11 H new ATOM 1072 N VAL A 70 27.133 3.233 -3.892 1.00 13.55 N ATOM 1073 CA VAL A 70 28.286 2.689 -3.185 1.00 72.41 C ATOM 1074 C VAL A 70 29.498 2.590 -4.105 1.00 13.42 C ATOM 1075 O VAL A 70 29.493 1.835 -5.075 1.00 62.44 O ATOM 1076 CB VAL A 70 27.981 1.295 -2.605 1.00 23.33 C ATOM 1077 CG1 VAL A 70 29.239 0.675 -2.015 1.00 42.03 C ATOM 1078 CG2 VAL A 70 26.880 1.382 -1.559 1.00 51.41 C ATOM 0 H VAL A 70 26.876 2.722 -4.737 1.00 13.55 H new ATOM 0 HA VAL A 70 28.509 3.374 -2.367 1.00 72.41 H new ATOM 0 HB VAL A 70 27.633 0.653 -3.414 1.00 23.33 H new ATOM 0 HG11 VAL A 70 29.004 -0.309 -1.610 1.00 42.03 H new ATOM 0 HG12 VAL A 70 29.995 0.576 -2.794 1.00 42.03 H new ATOM 0 HG13 VAL A 70 29.620 1.314 -1.218 1.00 42.03 H new ATOM 0 HG21 VAL A 70 26.678 0.388 -1.160 1.00 51.41 H new ATOM 0 HG22 VAL A 70 27.198 2.040 -0.750 1.00 51.41 H new ATOM 0 HG23 VAL A 70 25.974 1.781 -2.016 1.00 51.41 H new ATOM 1088 N ASN A 71 30.535 3.360 -3.792 1.00 22.13 N ATOM 1089 CA ASN A 71 31.755 3.360 -4.590 1.00 64.15 C ATOM 1090 C ASN A 71 32.963 2.978 -3.739 1.00 74.34 C ATOM 1091 O ASN A 71 33.409 3.753 -2.894 1.00 65.25 O ATOM 1092 CB ASN A 71 31.977 4.736 -5.221 1.00 50.11 C ATOM 1093 CG ASN A 71 30.741 5.252 -5.932 1.00 52.11 C ATOM 1094 OD1 ASN A 71 30.387 4.775 -7.010 1.00 52.14 O ATOM 1095 ND2 ASN A 71 30.078 6.232 -5.329 1.00 53.25 N ATOM 0 H ASN A 71 30.555 3.992 -2.991 1.00 22.13 H new ATOM 0 HA ASN A 71 31.641 2.619 -5.381 1.00 64.15 H new ATOM 0 HB2 ASN A 71 32.270 5.445 -4.447 1.00 50.11 H new ATOM 0 HB3 ASN A 71 32.803 4.679 -5.930 1.00 50.11 H new ATOM 0 HD21 ASN A 71 29.238 6.620 -5.759 1.00 53.25 H new ATOM 0 HD22 ASN A 71 30.408 6.597 -4.436 1.00 53.25 H new ATOM 1102 N ALA A 72 33.486 1.778 -3.969 1.00 71.14 N ATOM 1103 CA ALA A 72 34.643 1.294 -3.226 1.00 74.22 C ATOM 1104 C ALA A 72 35.912 2.024 -3.650 1.00 3.41 C ATOM 1105 O ALA A 72 36.857 2.150 -2.870 1.00 52.33 O ATOM 1106 CB ALA A 72 34.805 -0.206 -3.421 1.00 33.52 C ATOM 0 H ALA A 72 33.127 1.123 -4.664 1.00 71.14 H new ATOM 0 HA ALA A 72 34.475 1.496 -2.168 1.00 74.22 H new ATOM 0 HB1 ALA A 72 35.673 -0.554 -2.861 1.00 33.52 H new ATOM 0 HB2 ALA A 72 33.912 -0.718 -3.062 1.00 33.52 H new ATOM 0 HB3 ALA A 72 34.946 -0.422 -4.480 1.00 33.52 H new ATOM 1112 N ASP A 73 35.928 2.503 -4.889 1.00 2.21 N ATOM 1113 CA ASP A 73 37.082 3.222 -5.416 1.00 64.21 C ATOM 1114 C ASP A 73 37.382 4.460 -4.577 1.00 35.03 C ATOM 1115 O ASP A 73 38.540 4.772 -4.301 1.00 63.24 O ATOM 1116 CB ASP A 73 36.839 3.624 -6.872 1.00 34.25 C ATOM 1117 CG ASP A 73 36.910 5.124 -7.077 1.00 53.15 C ATOM 1118 OD1 ASP A 73 35.880 5.800 -6.872 1.00 3.20 O ATOM 1119 OD2 ASP A 73 37.995 5.622 -7.445 1.00 14.20 O ATOM 0 H ASP A 73 35.155 2.406 -5.547 1.00 2.21 H new ATOM 0 HA ASP A 73 37.944 2.557 -5.370 1.00 64.21 H new ATOM 0 HB2 ASP A 73 37.578 3.138 -7.509 1.00 34.25 H new ATOM 0 HB3 ASP A 73 35.860 3.263 -7.187 1.00 34.25 H new ATOM 1124 N LYS A 74 36.329 5.163 -4.173 1.00 51.43 N ATOM 1125 CA LYS A 74 36.477 6.368 -3.365 1.00 62.20 C ATOM 1126 C LYS A 74 36.302 6.053 -1.883 1.00 2.43 C ATOM 1127 O LYS A 74 36.687 6.843 -1.020 1.00 54.31 O ATOM 1128 CB LYS A 74 35.458 7.425 -3.797 1.00 4.13 C ATOM 1129 CG LYS A 74 35.811 8.831 -3.343 1.00 22.14 C ATOM 1130 CD LYS A 74 35.204 9.881 -4.258 1.00 3.23 C ATOM 1131 CE LYS A 74 35.068 11.222 -3.553 1.00 41.44 C ATOM 1132 NZ LYS A 74 33.785 11.899 -3.892 1.00 22.24 N ATOM 0 H LYS A 74 35.363 4.919 -4.392 1.00 51.43 H new ATOM 0 HA LYS A 74 37.483 6.758 -3.519 1.00 62.20 H new ATOM 0 HB2 LYS A 74 35.374 7.414 -4.884 1.00 4.13 H new ATOM 0 HB3 LYS A 74 34.479 7.158 -3.398 1.00 4.13 H new ATOM 0 HG2 LYS A 74 35.455 8.985 -2.324 1.00 22.14 H new ATOM 0 HG3 LYS A 74 36.895 8.947 -3.323 1.00 22.14 H new ATOM 0 HD2 LYS A 74 35.827 9.996 -5.145 1.00 3.23 H new ATOM 0 HD3 LYS A 74 34.224 9.546 -4.598 1.00 3.23 H new ATOM 0 HE2 LYS A 74 35.126 11.073 -2.475 1.00 41.44 H new ATOM 0 HE3 LYS A 74 35.903 11.865 -3.832 1.00 41.44 H new ATOM 0 HZ1 LYS A 74 33.968 12.898 -4.115 1.00 22.24 H new ATOM 0 HZ2 LYS A 74 33.354 11.434 -4.716 1.00 22.24 H new ATOM 0 HZ3 LYS A 74 33.136 11.838 -3.082 1.00 22.24 H new ATOM 1146 N LYS A 75 35.721 4.894 -1.593 1.00 40.11 N ATOM 1147 CA LYS A 75 35.497 4.473 -0.215 1.00 64.03 C ATOM 1148 C LYS A 75 34.386 5.294 0.431 1.00 21.01 C ATOM 1149 O LYS A 75 34.514 5.741 1.572 1.00 52.23 O ATOM 1150 CB LYS A 75 36.787 4.611 0.598 1.00 73.04 C ATOM 1151 CG LYS A 75 38.030 4.169 -0.154 1.00 60.43 C ATOM 1152 CD LYS A 75 39.137 3.748 0.798 1.00 42.15 C ATOM 1153 CE LYS A 75 38.912 2.340 1.328 1.00 51.35 C ATOM 1154 NZ LYS A 75 39.441 1.306 0.396 1.00 21.23 N ATOM 0 H LYS A 75 35.396 4.229 -2.295 1.00 40.11 H new ATOM 0 HA LYS A 75 35.192 3.427 -0.226 1.00 64.03 H new ATOM 0 HB2 LYS A 75 36.906 5.651 0.901 1.00 73.04 H new ATOM 0 HB3 LYS A 75 36.696 4.022 1.511 1.00 73.04 H new ATOM 0 HG2 LYS A 75 37.781 3.338 -0.814 1.00 60.43 H new ATOM 0 HG3 LYS A 75 38.383 4.984 -0.786 1.00 60.43 H new ATOM 0 HD2 LYS A 75 40.097 3.795 0.284 1.00 42.15 H new ATOM 0 HD3 LYS A 75 39.187 4.448 1.632 1.00 42.15 H new ATOM 0 HE2 LYS A 75 39.396 2.236 2.299 1.00 51.35 H new ATOM 0 HE3 LYS A 75 37.846 2.177 1.484 1.00 51.35 H new ATOM 0 HZ1 LYS A 75 39.268 0.360 0.793 1.00 21.23 H new ATOM 0 HZ2 LYS A 75 38.961 1.389 -0.523 1.00 21.23 H new ATOM 0 HZ3 LYS A 75 40.463 1.446 0.266 1.00 21.23 H new ATOM 1168 N LEU A 76 33.296 5.488 -0.303 1.00 63.54 N ATOM 1169 CA LEU A 76 32.161 6.254 0.199 1.00 21.32 C ATOM 1170 C LEU A 76 30.843 5.640 -0.261 1.00 70.42 C ATOM 1171 O LEU A 76 30.765 5.048 -1.338 1.00 10.43 O ATOM 1172 CB LEU A 76 32.252 7.706 -0.272 1.00 2.20 C ATOM 1173 CG LEU A 76 32.884 7.927 -1.647 1.00 12.42 C ATOM 1174 CD1 LEU A 76 32.102 7.185 -2.719 1.00 71.22 C ATOM 1175 CD2 LEU A 76 32.955 9.413 -1.968 1.00 54.14 C ATOM 0 H LEU A 76 33.174 5.125 -1.248 1.00 63.54 H new ATOM 0 HA LEU A 76 32.191 6.229 1.288 1.00 21.32 H new ATOM 0 HB2 LEU A 76 31.247 8.127 -0.285 1.00 2.20 H new ATOM 0 HB3 LEU A 76 32.825 8.271 0.464 1.00 2.20 H new ATOM 0 HG LEU A 76 33.899 7.531 -1.627 1.00 12.42 H new ATOM 0 HD11 LEU A 76 32.566 7.354 -3.691 1.00 71.22 H new ATOM 0 HD12 LEU A 76 32.103 6.118 -2.497 1.00 71.22 H new ATOM 0 HD13 LEU A 76 31.075 7.551 -2.739 1.00 71.22 H new ATOM 0 HD21 LEU A 76 33.407 9.552 -2.950 1.00 54.14 H new ATOM 0 HD22 LEU A 76 31.949 9.833 -1.969 1.00 54.14 H new ATOM 0 HD23 LEU A 76 33.559 9.919 -1.215 1.00 54.14 H new ATOM 1187 N MET A 77 29.809 5.786 0.561 1.00 70.22 N ATOM 1188 CA MET A 77 28.493 5.248 0.236 1.00 51.22 C ATOM 1189 C MET A 77 27.389 6.181 0.724 1.00 50.02 C ATOM 1190 O MET A 77 27.362 6.568 1.892 1.00 52.21 O ATOM 1191 CB MET A 77 28.317 3.862 0.858 1.00 71.41 C ATOM 1192 CG MET A 77 29.520 2.953 0.667 1.00 24.21 C ATOM 1193 SD MET A 77 29.489 1.520 1.762 1.00 44.34 S ATOM 1194 CE MET A 77 29.609 2.315 3.362 1.00 23.35 C ATOM 0 H MET A 77 29.857 6.272 1.456 1.00 70.22 H new ATOM 0 HA MET A 77 28.420 5.163 -0.848 1.00 51.22 H new ATOM 0 HB2 MET A 77 28.122 3.974 1.925 1.00 71.41 H new ATOM 0 HB3 MET A 77 27.439 3.386 0.422 1.00 71.41 H new ATOM 0 HG2 MET A 77 29.553 2.614 -0.368 1.00 24.21 H new ATOM 0 HG3 MET A 77 30.432 3.522 0.845 1.00 24.21 H new ATOM 0 HE1 MET A 77 30.532 2.007 3.853 1.00 23.35 H new ATOM 0 HE2 MET A 77 29.611 3.397 3.231 1.00 23.35 H new ATOM 0 HE3 MET A 77 28.757 2.025 3.977 1.00 23.35 H new ATOM 1204 N SER A 78 26.481 6.538 -0.178 1.00 55.44 N ATOM 1205 CA SER A 78 25.377 7.429 0.160 1.00 53.32 C ATOM 1206 C SER A 78 24.034 6.769 -0.139 1.00 24.31 C ATOM 1207 O SER A 78 23.854 6.148 -1.186 1.00 63.45 O ATOM 1208 CB SER A 78 25.496 8.742 -0.617 1.00 63.44 C ATOM 1209 OG SER A 78 26.704 9.413 -0.302 1.00 71.23 O ATOM 0 H SER A 78 26.488 6.224 -1.148 1.00 55.44 H new ATOM 0 HA SER A 78 25.429 7.641 1.228 1.00 53.32 H new ATOM 0 HB2 SER A 78 25.457 8.540 -1.687 1.00 63.44 H new ATOM 0 HB3 SER A 78 24.647 9.385 -0.383 1.00 63.44 H new ATOM 0 HG SER A 78 26.757 10.248 -0.812 1.00 71.23 H new ATOM 1215 N VAL A 79 23.094 6.907 0.790 1.00 11.33 N ATOM 1216 CA VAL A 79 21.767 6.326 0.628 1.00 71.42 C ATOM 1217 C VAL A 79 20.694 7.408 0.583 1.00 22.11 C ATOM 1218 O VAL A 79 20.528 8.171 1.534 1.00 13.05 O ATOM 1219 CB VAL A 79 21.442 5.342 1.768 1.00 55.41 C ATOM 1220 CG1 VAL A 79 20.051 4.753 1.584 1.00 3.05 C ATOM 1221 CG2 VAL A 79 22.491 4.243 1.838 1.00 14.15 C ATOM 0 H VAL A 79 23.227 7.417 1.663 1.00 11.33 H new ATOM 0 HA VAL A 79 21.772 5.785 -0.318 1.00 71.42 H new ATOM 0 HB VAL A 79 21.458 5.887 2.712 1.00 55.41 H new ATOM 0 HG11 VAL A 79 19.839 4.060 2.398 1.00 3.05 H new ATOM 0 HG12 VAL A 79 19.313 5.555 1.588 1.00 3.05 H new ATOM 0 HG13 VAL A 79 20.004 4.221 0.634 1.00 3.05 H new ATOM 0 HG21 VAL A 79 22.246 3.557 2.649 1.00 14.15 H new ATOM 0 HG22 VAL A 79 22.510 3.698 0.894 1.00 14.15 H new ATOM 0 HG23 VAL A 79 23.470 4.686 2.021 1.00 14.15 H new ATOM 1231 N SER A 80 19.968 7.468 -0.529 1.00 10.14 N ATOM 1232 CA SER A 80 18.912 8.460 -0.699 1.00 64.53 C ATOM 1233 C SER A 80 17.547 7.787 -0.807 1.00 23.40 C ATOM 1234 O SER A 80 17.313 6.971 -1.699 1.00 50.22 O ATOM 1235 CB SER A 80 19.176 9.307 -1.946 1.00 32.52 C ATOM 1236 OG SER A 80 18.534 10.566 -1.851 1.00 53.34 O ATOM 0 H SER A 80 20.091 6.842 -1.325 1.00 10.14 H new ATOM 0 HA SER A 80 18.910 9.107 0.178 1.00 64.53 H new ATOM 0 HB2 SER A 80 20.249 9.451 -2.072 1.00 32.52 H new ATOM 0 HB3 SER A 80 18.820 8.779 -2.830 1.00 32.52 H new ATOM 0 HG SER A 80 18.719 11.089 -2.659 1.00 53.34 H new ATOM 1242 N PHE A 81 16.649 8.134 0.109 1.00 45.21 N ATOM 1243 CA PHE A 81 15.307 7.564 0.119 1.00 64.01 C ATOM 1244 C PHE A 81 14.254 8.654 0.295 1.00 5.22 C ATOM 1245 O PHE A 81 14.483 9.648 0.985 1.00 25.41 O ATOM 1246 CB PHE A 81 15.178 6.529 1.238 1.00 24.14 C ATOM 1247 CG PHE A 81 15.955 6.883 2.474 1.00 31.24 C ATOM 1248 CD1 PHE A 81 15.585 7.967 3.254 1.00 44.32 C ATOM 1249 CD2 PHE A 81 17.054 6.131 2.857 1.00 32.13 C ATOM 1250 CE1 PHE A 81 16.299 8.295 4.391 1.00 12.51 C ATOM 1251 CE2 PHE A 81 17.771 6.454 3.994 1.00 52.11 C ATOM 1252 CZ PHE A 81 17.392 7.537 4.762 1.00 10.34 C ATOM 0 H PHE A 81 16.826 8.807 0.854 1.00 45.21 H new ATOM 0 HA PHE A 81 15.140 7.074 -0.840 1.00 64.01 H new ATOM 0 HB2 PHE A 81 14.126 6.417 1.499 1.00 24.14 H new ATOM 0 HB3 PHE A 81 15.519 5.562 0.869 1.00 24.14 H new ATOM 0 HD1 PHE A 81 14.729 8.562 2.970 1.00 44.32 H new ATOM 0 HD2 PHE A 81 17.354 5.282 2.260 1.00 32.13 H new ATOM 0 HE1 PHE A 81 16.002 9.144 4.989 1.00 12.51 H new ATOM 0 HE2 PHE A 81 18.626 5.860 4.281 1.00 52.11 H new ATOM 0 HZ PHE A 81 17.949 7.791 5.651 1.00 10.34 H new ATOM 1262 N SER A 82 13.100 8.461 -0.334 1.00 71.23 N ATOM 1263 CA SER A 82 12.013 9.429 -0.251 1.00 75.13 C ATOM 1264 C SER A 82 10.794 8.820 0.435 1.00 31.44 C ATOM 1265 O SER A 82 10.566 7.612 0.363 1.00 72.03 O ATOM 1266 CB SER A 82 11.632 9.921 -1.649 1.00 74.20 C ATOM 1267 OG SER A 82 12.573 10.864 -2.132 1.00 33.22 O ATOM 0 H SER A 82 12.893 7.643 -0.907 1.00 71.23 H new ATOM 0 HA SER A 82 12.358 10.275 0.343 1.00 75.13 H new ATOM 0 HB2 SER A 82 11.577 9.074 -2.333 1.00 74.20 H new ATOM 0 HB3 SER A 82 10.641 10.373 -1.621 1.00 74.20 H new ATOM 0 HG SER A 82 12.308 11.162 -3.027 1.00 33.22 H new ATOM 1273 N ASP A 83 10.015 9.664 1.102 1.00 54.23 N ATOM 1274 CA ASP A 83 8.818 9.211 1.801 1.00 21.34 C ATOM 1275 C ASP A 83 8.964 7.757 2.241 1.00 12.20 C ATOM 1276 O ASP A 83 8.456 6.847 1.586 1.00 62.43 O ATOM 1277 CB ASP A 83 7.588 9.365 0.905 1.00 23.33 C ATOM 1278 CG ASP A 83 7.287 10.814 0.579 1.00 1.35 C ATOM 1279 OD1 ASP A 83 7.103 11.609 1.525 1.00 14.40 O ATOM 1280 OD2 ASP A 83 7.237 11.154 -0.621 1.00 12.11 O ATOM 0 H ASP A 83 10.191 10.666 1.173 1.00 54.23 H new ATOM 0 HA ASP A 83 8.690 9.830 2.689 1.00 21.34 H new ATOM 0 HB2 ASP A 83 7.745 8.812 -0.021 1.00 23.33 H new ATOM 0 HB3 ASP A 83 6.724 8.920 1.399 1.00 23.33 H new ATOM 1285 N ILE A 84 9.661 7.548 3.353 1.00 74.32 N ATOM 1286 CA ILE A 84 9.873 6.205 3.879 1.00 13.22 C ATOM 1287 C ILE A 84 9.517 6.133 5.360 1.00 23.04 C ATOM 1288 O ILE A 84 9.694 7.101 6.100 1.00 41.54 O ATOM 1289 CB ILE A 84 11.332 5.750 3.690 1.00 11.42 C ATOM 1290 CG1 ILE A 84 12.271 6.609 4.540 1.00 52.31 C ATOM 1291 CG2 ILE A 84 11.723 5.822 2.222 1.00 41.22 C ATOM 1292 CD1 ILE A 84 13.129 5.806 5.492 1.00 63.24 C ATOM 0 H ILE A 84 10.088 8.291 3.907 1.00 74.32 H new ATOM 0 HA ILE A 84 9.218 5.539 3.317 1.00 13.22 H new ATOM 0 HB ILE A 84 11.420 4.715 4.019 1.00 11.42 H new ATOM 0 HG12 ILE A 84 12.918 7.187 3.880 1.00 52.31 H new ATOM 0 HG13 ILE A 84 11.679 7.323 5.112 1.00 52.31 H new ATOM 0 HG21 ILE A 84 12.757 5.497 2.104 1.00 41.22 H new ATOM 0 HG22 ILE A 84 11.070 5.172 1.639 1.00 41.22 H new ATOM 0 HG23 ILE A 84 11.623 6.848 1.869 1.00 41.22 H new ATOM 0 HD11 ILE A 84 13.769 6.480 6.062 1.00 63.24 H new ATOM 0 HD12 ILE A 84 12.489 5.248 6.176 1.00 63.24 H new ATOM 0 HD13 ILE A 84 13.748 5.110 4.925 1.00 63.24 H new ATOM 1304 N ASP A 85 9.017 4.979 5.787 1.00 21.24 N ATOM 1305 CA ASP A 85 8.639 4.778 7.182 1.00 43.44 C ATOM 1306 C ASP A 85 9.861 4.450 8.034 1.00 42.40 C ATOM 1307 O ASP A 85 10.897 4.035 7.516 1.00 43.41 O ATOM 1308 CB ASP A 85 7.606 3.656 7.296 1.00 2.30 C ATOM 1309 CG ASP A 85 6.219 4.102 6.877 1.00 61.45 C ATOM 1310 OD1 ASP A 85 5.877 5.280 7.112 1.00 20.41 O ATOM 1311 OD2 ASP A 85 5.476 3.272 6.312 1.00 52.32 O ATOM 0 H ASP A 85 8.864 4.168 5.188 1.00 21.24 H new ATOM 0 HA ASP A 85 8.199 5.705 7.551 1.00 43.44 H new ATOM 0 HB2 ASP A 85 7.917 2.815 6.676 1.00 2.30 H new ATOM 0 HB3 ASP A 85 7.574 3.298 8.325 1.00 2.30 H new ATOM 1316 N GLU A 86 9.732 4.641 9.343 1.00 33.02 N ATOM 1317 CA GLU A 86 10.827 4.367 10.266 1.00 33.04 C ATOM 1318 C GLU A 86 11.126 2.872 10.327 1.00 63.13 C ATOM 1319 O GLU A 86 12.250 2.465 10.619 1.00 34.44 O ATOM 1320 CB GLU A 86 10.487 4.887 11.665 1.00 74.13 C ATOM 1321 CG GLU A 86 9.286 4.200 12.294 1.00 2.21 C ATOM 1322 CD GLU A 86 8.526 5.107 13.242 1.00 3.15 C ATOM 1323 OE1 GLU A 86 7.779 5.982 12.757 1.00 61.21 O ATOM 1324 OE2 GLU A 86 8.679 4.941 14.471 1.00 50.31 O ATOM 0 H GLU A 86 8.881 4.984 9.788 1.00 33.02 H new ATOM 0 HA GLU A 86 11.714 4.883 9.900 1.00 33.04 H new ATOM 0 HB2 GLU A 86 11.353 4.753 12.314 1.00 74.13 H new ATOM 0 HB3 GLU A 86 10.294 5.958 11.608 1.00 74.13 H new ATOM 0 HG2 GLU A 86 8.614 3.858 11.507 1.00 2.21 H new ATOM 0 HG3 GLU A 86 9.620 3.314 12.834 1.00 2.21 H new ATOM 1331 N ASN A 87 10.112 2.059 10.048 1.00 50.40 N ATOM 1332 CA ASN A 87 10.266 0.609 10.071 1.00 15.35 C ATOM 1333 C ASN A 87 11.324 0.158 9.070 1.00 40.13 C ATOM 1334 O ASN A 87 12.217 -0.620 9.403 1.00 31.33 O ATOM 1335 CB ASN A 87 8.931 -0.071 9.761 1.00 14.20 C ATOM 1336 CG ASN A 87 7.940 0.052 10.903 1.00 51.04 C ATOM 1337 OD1 ASN A 87 8.327 0.152 12.067 1.00 52.20 O ATOM 1338 ND2 ASN A 87 6.654 0.045 10.573 1.00 75.53 N ATOM 0 H ASN A 87 9.175 2.380 9.803 1.00 50.40 H new ATOM 0 HA ASN A 87 10.591 0.319 11.070 1.00 15.35 H new ATOM 0 HB2 ASN A 87 8.502 0.371 8.862 1.00 14.20 H new ATOM 0 HB3 ASN A 87 9.105 -1.125 9.546 1.00 14.20 H new ATOM 0 HD21 ASN A 87 5.941 0.125 11.298 1.00 75.53 H new ATOM 0 HD22 ASN A 87 6.379 -0.040 9.594 1.00 75.53 H new ATOM 1345 N MET A 88 11.217 0.653 7.841 1.00 42.10 N ATOM 1346 CA MET A 88 12.166 0.302 6.791 1.00 44.31 C ATOM 1347 C MET A 88 13.476 1.065 6.965 1.00 52.24 C ATOM 1348 O MET A 88 14.551 0.554 6.649 1.00 13.33 O ATOM 1349 CB MET A 88 11.569 0.598 5.414 1.00 52.30 C ATOM 1350 CG MET A 88 11.158 2.050 5.229 1.00 35.14 C ATOM 1351 SD MET A 88 10.079 2.291 3.804 1.00 24.53 S ATOM 1352 CE MET A 88 10.814 1.157 2.629 1.00 63.45 C ATOM 0 H MET A 88 10.483 1.298 7.548 1.00 42.10 H new ATOM 0 HA MET A 88 12.375 -0.765 6.866 1.00 44.31 H new ATOM 0 HB2 MET A 88 12.297 0.335 4.647 1.00 52.30 H new ATOM 0 HB3 MET A 88 10.699 -0.040 5.260 1.00 52.30 H new ATOM 0 HG2 MET A 88 10.649 2.397 6.128 1.00 35.14 H new ATOM 0 HG3 MET A 88 12.051 2.664 5.112 1.00 35.14 H new ATOM 0 HE1 MET A 88 10.583 1.483 1.615 1.00 63.45 H new ATOM 0 HE2 MET A 88 11.895 1.140 2.767 1.00 63.45 H new ATOM 0 HE3 MET A 88 10.412 0.156 2.789 1.00 63.45 H new ATOM 1362 N LYS A 89 13.379 2.291 7.468 1.00 52.24 N ATOM 1363 CA LYS A 89 14.555 3.125 7.684 1.00 0.14 C ATOM 1364 C LYS A 89 15.615 2.373 8.483 1.00 43.23 C ATOM 1365 O LYS A 89 16.811 2.498 8.218 1.00 3.22 O ATOM 1366 CB LYS A 89 14.166 4.411 8.417 1.00 30.15 C ATOM 1367 CG LYS A 89 15.223 5.499 8.340 1.00 22.33 C ATOM 1368 CD LYS A 89 15.045 6.529 9.443 1.00 54.13 C ATOM 1369 CE LYS A 89 14.074 7.625 9.029 1.00 30.24 C ATOM 1370 NZ LYS A 89 14.697 8.589 8.081 1.00 3.33 N ATOM 0 H LYS A 89 12.497 2.729 7.734 1.00 52.24 H new ATOM 0 HA LYS A 89 14.972 3.381 6.710 1.00 0.14 H new ATOM 0 HB2 LYS A 89 13.235 4.791 7.997 1.00 30.15 H new ATOM 0 HB3 LYS A 89 13.972 4.178 9.464 1.00 30.15 H new ATOM 0 HG2 LYS A 89 16.214 5.051 8.416 1.00 22.33 H new ATOM 0 HG3 LYS A 89 15.169 5.991 7.369 1.00 22.33 H new ATOM 0 HD2 LYS A 89 14.679 6.039 10.345 1.00 54.13 H new ATOM 0 HD3 LYS A 89 16.011 6.971 9.690 1.00 54.13 H new ATOM 0 HE2 LYS A 89 13.196 7.176 8.565 1.00 30.24 H new ATOM 0 HE3 LYS A 89 13.729 8.158 9.915 1.00 30.24 H new ATOM 0 HZ1 LYS A 89 14.053 9.391 7.929 1.00 3.33 H new ATOM 0 HZ2 LYS A 89 15.594 8.935 8.477 1.00 3.33 H new ATOM 0 HZ3 LYS A 89 14.880 8.115 7.174 1.00 3.33 H new ATOM 1384 N LYS A 90 15.170 1.591 9.460 1.00 75.01 N ATOM 1385 CA LYS A 90 16.079 0.816 10.296 1.00 41.15 C ATOM 1386 C LYS A 90 16.917 -0.137 9.449 1.00 32.12 C ATOM 1387 O LYS A 90 18.097 -0.353 9.724 1.00 62.00 O ATOM 1388 CB LYS A 90 15.293 0.027 11.345 1.00 70.32 C ATOM 1389 CG LYS A 90 14.632 -1.226 10.795 1.00 43.52 C ATOM 1390 CD LYS A 90 15.524 -2.445 10.960 1.00 51.23 C ATOM 1391 CE LYS A 90 15.413 -3.031 12.359 1.00 72.44 C ATOM 1392 NZ LYS A 90 15.833 -4.460 12.396 1.00 12.42 N ATOM 0 H LYS A 90 14.184 1.477 9.693 1.00 75.01 H new ATOM 0 HA LYS A 90 16.750 1.511 10.801 1.00 41.15 H new ATOM 0 HB2 LYS A 90 15.965 -0.253 12.156 1.00 70.32 H new ATOM 0 HB3 LYS A 90 14.527 0.673 11.775 1.00 70.32 H new ATOM 0 HG2 LYS A 90 13.685 -1.394 11.309 1.00 43.52 H new ATOM 0 HG3 LYS A 90 14.401 -1.083 9.739 1.00 43.52 H new ATOM 0 HD2 LYS A 90 15.249 -3.201 10.225 1.00 51.23 H new ATOM 0 HD3 LYS A 90 16.560 -2.169 10.761 1.00 51.23 H new ATOM 0 HE2 LYS A 90 16.032 -2.453 13.045 1.00 72.44 H new ATOM 0 HE3 LYS A 90 14.384 -2.946 12.708 1.00 72.44 H new ATOM 0 HZ1 LYS A 90 15.743 -4.823 13.366 1.00 12.42 H new ATOM 0 HZ2 LYS A 90 15.227 -5.017 11.760 1.00 12.42 H new ATOM 0 HZ3 LYS A 90 16.823 -4.539 12.087 1.00 12.42 H new ATOM 1406 N VAL A 91 16.299 -0.704 8.418 1.00 60.12 N ATOM 1407 CA VAL A 91 16.989 -1.632 7.530 1.00 73.24 C ATOM 1408 C VAL A 91 17.976 -0.899 6.628 1.00 22.35 C ATOM 1409 O VAL A 91 19.060 -1.406 6.336 1.00 34.53 O ATOM 1410 CB VAL A 91 15.993 -2.414 6.652 1.00 21.45 C ATOM 1411 CG1 VAL A 91 14.640 -2.514 7.340 1.00 71.52 C ATOM 1412 CG2 VAL A 91 15.859 -1.760 5.286 1.00 41.31 C ATOM 0 H VAL A 91 15.322 -0.537 8.177 1.00 60.12 H new ATOM 0 HA VAL A 91 17.532 -2.333 8.165 1.00 73.24 H new ATOM 0 HB VAL A 91 16.377 -3.424 6.509 1.00 21.45 H new ATOM 0 HG11 VAL A 91 13.949 -3.069 6.705 1.00 71.52 H new ATOM 0 HG12 VAL A 91 14.754 -3.031 8.293 1.00 71.52 H new ATOM 0 HG13 VAL A 91 14.246 -1.513 7.516 1.00 71.52 H new ATOM 0 HG21 VAL A 91 15.152 -2.326 4.680 1.00 41.31 H new ATOM 0 HG22 VAL A 91 15.499 -0.738 5.406 1.00 41.31 H new ATOM 0 HG23 VAL A 91 16.831 -1.746 4.792 1.00 41.31 H new ATOM 1422 N ILE A 92 17.595 0.296 6.192 1.00 40.24 N ATOM 1423 CA ILE A 92 18.448 1.100 5.325 1.00 60.22 C ATOM 1424 C ILE A 92 19.686 1.587 6.070 1.00 13.33 C ATOM 1425 O ILE A 92 20.806 1.486 5.570 1.00 60.31 O ATOM 1426 CB ILE A 92 17.690 2.316 4.760 1.00 24.01 C ATOM 1427 CG1 ILE A 92 16.264 1.921 4.373 1.00 72.11 C ATOM 1428 CG2 ILE A 92 18.430 2.891 3.562 1.00 43.14 C ATOM 1429 CD1 ILE A 92 15.568 2.945 3.503 1.00 23.42 C ATOM 0 H ILE A 92 16.701 0.729 6.424 1.00 40.24 H new ATOM 0 HA ILE A 92 18.754 0.458 4.499 1.00 60.22 H new ATOM 0 HB ILE A 92 17.637 3.083 5.532 1.00 24.01 H new ATOM 0 HG12 ILE A 92 16.290 0.967 3.847 1.00 72.11 H new ATOM 0 HG13 ILE A 92 15.679 1.769 5.280 1.00 72.11 H new ATOM 0 HG21 ILE A 92 17.882 3.750 3.174 1.00 43.14 H new ATOM 0 HG22 ILE A 92 19.428 3.205 3.867 1.00 43.14 H new ATOM 0 HG23 ILE A 92 18.511 2.131 2.785 1.00 43.14 H new ATOM 0 HD11 ILE A 92 14.562 2.599 3.268 1.00 23.42 H new ATOM 0 HD12 ILE A 92 15.510 3.895 4.035 1.00 23.42 H new ATOM 0 HD13 ILE A 92 16.130 3.080 2.579 1.00 23.42 H new ATOM 1441 N LYS A 93 19.476 2.116 7.271 1.00 2.01 N ATOM 1442 CA LYS A 93 20.574 2.617 8.089 1.00 3.12 C ATOM 1443 C LYS A 93 21.502 1.482 8.509 1.00 31.55 C ATOM 1444 O LYS A 93 22.724 1.625 8.487 1.00 52.11 O ATOM 1445 CB LYS A 93 20.030 3.330 9.329 1.00 53.42 C ATOM 1446 CG LYS A 93 19.745 4.806 9.106 1.00 71.43 C ATOM 1447 CD LYS A 93 20.994 5.650 9.296 1.00 31.31 C ATOM 1448 CE LYS A 93 20.646 7.094 9.624 1.00 21.41 C ATOM 1449 NZ LYS A 93 21.804 7.824 10.210 1.00 21.33 N ATOM 0 H LYS A 93 18.555 2.209 7.699 1.00 2.01 H new ATOM 0 HA LYS A 93 21.145 3.327 7.490 1.00 3.12 H new ATOM 0 HB2 LYS A 93 19.113 2.836 9.649 1.00 53.42 H new ATOM 0 HB3 LYS A 93 20.748 3.226 10.142 1.00 53.42 H new ATOM 0 HG2 LYS A 93 19.354 4.954 8.099 1.00 71.43 H new ATOM 0 HG3 LYS A 93 18.972 5.137 9.800 1.00 71.43 H new ATOM 0 HD2 LYS A 93 21.600 5.229 10.098 1.00 31.31 H new ATOM 0 HD3 LYS A 93 21.598 5.617 8.389 1.00 31.31 H new ATOM 0 HE2 LYS A 93 20.317 7.603 8.718 1.00 21.41 H new ATOM 0 HE3 LYS A 93 19.811 7.116 10.324 1.00 21.41 H new ATOM 0 HZ1 LYS A 93 21.465 8.489 10.934 1.00 21.33 H new ATOM 0 HZ2 LYS A 93 22.459 7.144 10.645 1.00 21.33 H new ATOM 0 HZ3 LYS A 93 22.298 8.350 9.461 1.00 21.33 H new ATOM 1463 N ALA A 94 20.913 0.353 8.891 1.00 31.02 N ATOM 1464 CA ALA A 94 21.687 -0.808 9.313 1.00 51.11 C ATOM 1465 C ALA A 94 22.537 -1.347 8.167 1.00 12.32 C ATOM 1466 O ALA A 94 23.659 -1.810 8.376 1.00 14.04 O ATOM 1467 CB ALA A 94 20.763 -1.894 9.843 1.00 33.12 C ATOM 0 H ALA A 94 19.902 0.218 8.917 1.00 31.02 H new ATOM 0 HA ALA A 94 22.358 -0.495 10.113 1.00 51.11 H new ATOM 0 HB1 ALA A 94 21.355 -2.755 10.154 1.00 33.12 H new ATOM 0 HB2 ALA A 94 20.203 -1.511 10.696 1.00 33.12 H new ATOM 0 HB3 ALA A 94 20.069 -2.196 9.059 1.00 33.12 H new ATOM 1473 N THR A 95 21.996 -1.284 6.955 1.00 75.15 N ATOM 1474 CA THR A 95 22.703 -1.767 5.776 1.00 63.43 C ATOM 1475 C THR A 95 23.891 -0.872 5.442 1.00 21.11 C ATOM 1476 O THR A 95 24.995 -1.356 5.194 1.00 72.24 O ATOM 1477 CB THR A 95 21.771 -1.842 4.552 1.00 40.52 C ATOM 1478 OG1 THR A 95 20.814 -2.892 4.728 1.00 51.01 O ATOM 1479 CG2 THR A 95 22.568 -2.083 3.279 1.00 52.35 C ATOM 0 H THR A 95 21.069 -0.903 6.764 1.00 75.15 H new ATOM 0 HA THR A 95 23.061 -2.769 6.012 1.00 63.43 H new ATOM 0 HB THR A 95 21.250 -0.889 4.461 1.00 40.52 H new ATOM 0 HG1 THR A 95 21.122 -3.697 4.262 1.00 51.01 H new ATOM 0 HG21 THR A 95 21.889 -2.132 2.428 1.00 52.35 H new ATOM 0 HG22 THR A 95 23.275 -1.266 3.132 1.00 52.35 H new ATOM 0 HG23 THR A 95 23.113 -3.023 3.363 1.00 52.35 H new ATOM 1487 N ALA A 96 23.657 0.436 5.439 1.00 45.21 N ATOM 1488 CA ALA A 96 24.710 1.399 5.138 1.00 15.35 C ATOM 1489 C ALA A 96 25.766 1.419 6.238 1.00 12.51 C ATOM 1490 O ALA A 96 26.964 1.417 5.959 1.00 3.35 O ATOM 1491 CB ALA A 96 24.116 2.787 4.949 1.00 51.33 C ATOM 0 H ALA A 96 22.749 0.853 5.641 1.00 45.21 H new ATOM 0 HA ALA A 96 25.195 1.093 4.211 1.00 15.35 H new ATOM 0 HB1 ALA A 96 24.913 3.496 4.725 1.00 51.33 H new ATOM 0 HB2 ALA A 96 23.404 2.769 4.124 1.00 51.33 H new ATOM 0 HB3 ALA A 96 23.605 3.092 5.863 1.00 51.33 H new ATOM 1497 N GLU A 97 25.312 1.440 7.488 1.00 64.24 N ATOM 1498 CA GLU A 97 26.220 1.462 8.629 1.00 41.14 C ATOM 1499 C GLU A 97 27.008 0.158 8.723 1.00 53.52 C ATOM 1500 O GLU A 97 28.165 0.148 9.143 1.00 61.44 O ATOM 1501 CB GLU A 97 25.440 1.694 9.925 1.00 43.35 C ATOM 1502 CG GLU A 97 24.733 0.452 10.440 1.00 4.24 C ATOM 1503 CD GLU A 97 25.625 -0.403 11.320 1.00 74.54 C ATOM 1504 OE1 GLU A 97 26.441 0.168 12.072 1.00 31.43 O ATOM 1505 OE2 GLU A 97 25.505 -1.645 11.255 1.00 51.04 O ATOM 0 H GLU A 97 24.322 1.442 7.736 1.00 64.24 H new ATOM 0 HA GLU A 97 26.924 2.282 8.485 1.00 41.14 H new ATOM 0 HB2 GLU A 97 26.125 2.056 10.692 1.00 43.35 H new ATOM 0 HB3 GLU A 97 24.703 2.479 9.760 1.00 43.35 H new ATOM 0 HG2 GLU A 97 23.849 0.749 11.004 1.00 4.24 H new ATOM 0 HG3 GLU A 97 24.386 -0.142 9.594 1.00 4.24 H new ATOM 1512 N LYS A 98 26.372 -0.940 8.330 1.00 53.25 N ATOM 1513 CA LYS A 98 27.011 -2.250 8.368 1.00 53.21 C ATOM 1514 C LYS A 98 28.300 -2.250 7.553 1.00 60.41 C ATOM 1515 O LYS A 98 29.287 -2.879 7.935 1.00 5.31 O ATOM 1516 CB LYS A 98 26.057 -3.321 7.834 1.00 30.12 C ATOM 1517 CG LYS A 98 26.717 -4.673 7.624 1.00 10.11 C ATOM 1518 CD LYS A 98 27.169 -5.283 8.940 1.00 20.31 C ATOM 1519 CE LYS A 98 26.087 -6.164 9.547 1.00 44.04 C ATOM 1520 NZ LYS A 98 25.947 -7.454 8.815 1.00 3.43 N ATOM 0 H LYS A 98 25.414 -0.949 7.981 1.00 53.25 H new ATOM 0 HA LYS A 98 27.258 -2.477 9.405 1.00 53.21 H new ATOM 0 HB2 LYS A 98 25.226 -3.436 8.530 1.00 30.12 H new ATOM 0 HB3 LYS A 98 25.635 -2.981 6.888 1.00 30.12 H new ATOM 0 HG2 LYS A 98 26.017 -5.348 7.130 1.00 10.11 H new ATOM 0 HG3 LYS A 98 27.574 -4.561 6.960 1.00 10.11 H new ATOM 0 HD2 LYS A 98 28.071 -5.873 8.778 1.00 20.31 H new ATOM 0 HD3 LYS A 98 27.428 -4.489 9.640 1.00 20.31 H new ATOM 0 HE2 LYS A 98 26.325 -6.363 10.592 1.00 44.04 H new ATOM 0 HE3 LYS A 98 25.135 -5.633 9.532 1.00 44.04 H new ATOM 0 HZ1 LYS A 98 25.382 -8.117 9.384 1.00 3.43 H new ATOM 0 HZ2 LYS A 98 25.472 -7.287 7.905 1.00 3.43 H new ATOM 0 HZ3 LYS A 98 26.889 -7.860 8.644 1.00 3.43 H new ATOM 1534 N PHE A 99 28.285 -1.541 6.429 1.00 34.31 N ATOM 1535 CA PHE A 99 29.453 -1.460 5.560 1.00 1.25 C ATOM 1536 C PHE A 99 30.630 -0.819 6.290 1.00 12.25 C ATOM 1537 O PHE A 99 31.788 -1.155 6.042 1.00 33.50 O ATOM 1538 CB PHE A 99 29.123 -0.658 4.300 1.00 72.33 C ATOM 1539 CG PHE A 99 28.599 -1.502 3.173 1.00 61.21 C ATOM 1540 CD1 PHE A 99 29.414 -2.434 2.551 1.00 43.23 C ATOM 1541 CD2 PHE A 99 27.292 -1.363 2.736 1.00 74.43 C ATOM 1542 CE1 PHE A 99 28.935 -3.212 1.514 1.00 64.32 C ATOM 1543 CE2 PHE A 99 26.807 -2.139 1.700 1.00 61.33 C ATOM 1544 CZ PHE A 99 27.630 -3.064 1.087 1.00 3.01 C ATOM 0 H PHE A 99 27.476 -1.014 6.099 1.00 34.31 H new ATOM 0 HA PHE A 99 29.733 -2.474 5.274 1.00 1.25 H new ATOM 0 HB2 PHE A 99 28.384 0.104 4.547 1.00 72.33 H new ATOM 0 HB3 PHE A 99 30.020 -0.136 3.966 1.00 72.33 H new ATOM 0 HD1 PHE A 99 30.436 -2.554 2.880 1.00 43.23 H new ATOM 0 HD2 PHE A 99 26.645 -0.640 3.210 1.00 74.43 H new ATOM 0 HE1 PHE A 99 29.581 -3.935 1.038 1.00 64.32 H new ATOM 0 HE2 PHE A 99 25.785 -2.022 1.370 1.00 61.33 H new ATOM 0 HZ PHE A 99 27.254 -3.670 0.276 1.00 3.01 H new ATOM 1554 N LYS A 100 30.325 0.108 7.193 1.00 72.25 N ATOM 1555 CA LYS A 100 31.355 0.797 7.961 1.00 51.15 C ATOM 1556 C LYS A 100 32.159 -0.190 8.800 1.00 2.14 C ATOM 1557 O LYS A 100 33.336 0.035 9.082 1.00 75.22 O ATOM 1558 CB LYS A 100 30.722 1.856 8.866 1.00 41.31 C ATOM 1559 CG LYS A 100 31.716 2.876 9.396 1.00 75.33 C ATOM 1560 CD LYS A 100 31.034 4.188 9.748 1.00 63.44 C ATOM 1561 CE LYS A 100 31.495 5.316 8.838 1.00 11.31 C ATOM 1562 NZ LYS A 100 31.410 6.641 9.512 1.00 11.50 N ATOM 0 H LYS A 100 29.372 0.399 7.410 1.00 72.25 H new ATOM 0 HA LYS A 100 32.031 1.285 7.259 1.00 51.15 H new ATOM 0 HB2 LYS A 100 29.941 2.376 8.311 1.00 41.31 H new ATOM 0 HB3 LYS A 100 30.239 1.361 9.708 1.00 41.31 H new ATOM 0 HG2 LYS A 100 32.214 2.475 10.279 1.00 75.33 H new ATOM 0 HG3 LYS A 100 32.488 3.055 8.648 1.00 75.33 H new ATOM 0 HD2 LYS A 100 29.953 4.071 9.666 1.00 63.44 H new ATOM 0 HD3 LYS A 100 31.249 4.445 10.785 1.00 63.44 H new ATOM 0 HE2 LYS A 100 32.523 5.133 8.525 1.00 11.31 H new ATOM 0 HE3 LYS A 100 30.884 5.328 7.935 1.00 11.31 H new ATOM 0 HZ1 LYS A 100 31.733 7.384 8.859 1.00 11.50 H new ATOM 0 HZ2 LYS A 100 30.425 6.827 9.789 1.00 11.50 H new ATOM 0 HZ3 LYS A 100 32.013 6.639 10.359 1.00 11.50 H new ATOM 1576 N ASN A 101 31.517 -1.284 9.196 1.00 31.04 N ATOM 1577 CA ASN A 101 32.174 -2.306 10.003 1.00 14.05 C ATOM 1578 C ASN A 101 33.336 -2.936 9.243 1.00 43.13 C ATOM 1579 O ASN A 101 34.198 -3.589 9.832 1.00 34.21 O ATOM 1580 CB ASN A 101 31.170 -3.387 10.410 1.00 21.11 C ATOM 1581 CG ASN A 101 30.055 -2.843 11.282 1.00 4.42 C ATOM 1582 OD1 ASN A 101 30.027 -1.654 11.602 1.00 34.22 O ATOM 1583 ND2 ASN A 101 29.130 -3.712 11.671 1.00 25.44 N ATOM 0 H ASN A 101 30.543 -1.486 8.971 1.00 31.04 H new ATOM 0 HA ASN A 101 32.567 -1.828 10.900 1.00 14.05 H new ATOM 0 HB2 ASN A 101 30.741 -3.836 9.514 1.00 21.11 H new ATOM 0 HB3 ASN A 101 31.692 -4.180 10.945 1.00 21.11 H new ATOM 0 HD21 ASN A 101 28.356 -3.404 12.259 1.00 25.44 H new ATOM 0 HD22 ASN A 101 29.193 -4.688 11.382 1.00 25.44 H new ATOM 1590 N LYS A 102 33.355 -2.735 7.929 1.00 1.34 N ATOM 1591 CA LYS A 102 34.412 -3.280 7.086 1.00 22.33 C ATOM 1592 C LYS A 102 35.466 -2.220 6.780 1.00 35.40 C ATOM 1593 O LYS A 102 36.510 -2.518 6.202 1.00 30.22 O ATOM 1594 CB LYS A 102 33.824 -3.822 5.781 1.00 12.25 C ATOM 1595 CG LYS A 102 34.729 -4.814 5.072 1.00 52.24 C ATOM 1596 CD LYS A 102 34.850 -6.114 5.849 1.00 55.30 C ATOM 1597 CE LYS A 102 36.255 -6.687 5.761 1.00 64.42 C ATOM 1598 NZ LYS A 102 36.486 -7.748 6.780 1.00 65.41 N ATOM 0 H LYS A 102 32.649 -2.198 7.425 1.00 1.34 H new ATOM 0 HA LYS A 102 34.890 -4.096 7.628 1.00 22.33 H new ATOM 0 HB2 LYS A 102 32.869 -4.302 5.994 1.00 12.25 H new ATOM 0 HB3 LYS A 102 33.618 -2.987 5.111 1.00 12.25 H new ATOM 0 HG2 LYS A 102 34.335 -5.020 4.077 1.00 52.24 H new ATOM 0 HG3 LYS A 102 35.718 -4.375 4.939 1.00 52.24 H new ATOM 0 HD2 LYS A 102 34.592 -5.940 6.894 1.00 55.30 H new ATOM 0 HD3 LYS A 102 34.135 -6.839 5.460 1.00 55.30 H new ATOM 0 HE2 LYS A 102 36.418 -7.099 4.765 1.00 64.42 H new ATOM 0 HE3 LYS A 102 36.983 -5.887 5.898 1.00 64.42 H new ATOM 0 HZ1 LYS A 102 37.455 -8.113 6.687 1.00 65.41 H new ATOM 0 HZ2 LYS A 102 36.356 -7.349 7.732 1.00 65.41 H new ATOM 0 HZ3 LYS A 102 35.808 -8.523 6.634 1.00 65.41 H new ATOM 1612 N GLY A 103 35.184 -0.982 7.173 1.00 40.42 N ATOM 1613 CA GLY A 103 36.118 0.103 6.932 1.00 33.05 C ATOM 1614 C GLY A 103 35.734 0.943 5.730 1.00 31.24 C ATOM 1615 O GLY A 103 36.437 0.951 4.720 1.00 41.32 O ATOM 0 H GLY A 103 34.326 -0.711 7.654 1.00 40.42 H new ATOM 0 HA2 GLY A 103 36.166 0.739 7.816 1.00 33.05 H new ATOM 0 HA3 GLY A 103 37.116 -0.308 6.780 1.00 33.05 H new ATOM 1619 N PHE A 104 34.614 1.650 5.838 1.00 1.21 N ATOM 1620 CA PHE A 104 34.136 2.495 4.750 1.00 1.30 C ATOM 1621 C PHE A 104 33.290 3.646 5.287 1.00 53.03 C ATOM 1622 O PHE A 104 32.879 3.641 6.447 1.00 12.43 O ATOM 1623 CB PHE A 104 33.320 1.668 3.754 1.00 2.43 C ATOM 1624 CG PHE A 104 34.141 0.669 2.991 1.00 71.50 C ATOM 1625 CD1 PHE A 104 34.751 1.020 1.797 1.00 33.14 C ATOM 1626 CD2 PHE A 104 34.303 -0.622 3.467 1.00 22.42 C ATOM 1627 CE1 PHE A 104 35.506 0.101 1.093 1.00 52.52 C ATOM 1628 CE2 PHE A 104 35.058 -1.545 2.767 1.00 35.11 C ATOM 1629 CZ PHE A 104 35.660 -1.182 1.579 1.00 64.22 C ATOM 0 H PHE A 104 34.021 1.655 6.668 1.00 1.21 H new ATOM 0 HA PHE A 104 35.004 2.913 4.239 1.00 1.30 H new ATOM 0 HB2 PHE A 104 32.530 1.143 4.291 1.00 2.43 H new ATOM 0 HB3 PHE A 104 32.833 2.341 3.048 1.00 2.43 H new ATOM 0 HD1 PHE A 104 34.635 2.023 1.413 1.00 33.14 H new ATOM 0 HD2 PHE A 104 33.834 -0.911 4.396 1.00 22.42 H new ATOM 0 HE1 PHE A 104 35.975 0.386 0.163 1.00 52.52 H new ATOM 0 HE2 PHE A 104 35.177 -2.548 3.149 1.00 35.11 H new ATOM 0 HZ PHE A 104 36.251 -1.901 1.030 1.00 64.22 H new ATOM 1639 N LYS A 105 33.033 4.632 4.433 1.00 22.25 N ATOM 1640 CA LYS A 105 32.236 5.790 4.819 1.00 33.11 C ATOM 1641 C LYS A 105 30.799 5.649 4.327 1.00 51.44 C ATOM 1642 O LYS A 105 30.558 5.412 3.143 1.00 62.31 O ATOM 1643 CB LYS A 105 32.855 7.072 4.258 1.00 65.54 C ATOM 1644 CG LYS A 105 32.092 8.331 4.631 1.00 24.53 C ATOM 1645 CD LYS A 105 32.351 8.732 6.074 1.00 74.50 C ATOM 1646 CE LYS A 105 33.672 9.471 6.219 1.00 20.41 C ATOM 1647 NZ LYS A 105 33.517 10.934 5.990 1.00 62.13 N ATOM 0 H LYS A 105 33.366 4.652 3.469 1.00 22.25 H new ATOM 0 HA LYS A 105 32.225 5.846 5.908 1.00 33.11 H new ATOM 0 HB2 LYS A 105 33.880 7.158 4.619 1.00 65.54 H new ATOM 0 HB3 LYS A 105 32.905 6.996 3.172 1.00 65.54 H new ATOM 0 HG2 LYS A 105 32.385 9.145 3.968 1.00 24.53 H new ATOM 0 HG3 LYS A 105 31.024 8.168 4.484 1.00 24.53 H new ATOM 0 HD2 LYS A 105 31.538 9.366 6.428 1.00 74.50 H new ATOM 0 HD3 LYS A 105 32.360 7.842 6.704 1.00 74.50 H new ATOM 0 HE2 LYS A 105 34.076 9.300 7.217 1.00 20.41 H new ATOM 0 HE3 LYS A 105 34.394 9.067 5.509 1.00 20.41 H new ATOM 0 HZ1 LYS A 105 34.440 11.402 6.098 1.00 62.13 H new ATOM 0 HZ2 LYS A 105 33.156 11.099 5.029 1.00 62.13 H new ATOM 0 HZ3 LYS A 105 32.847 11.325 6.683 1.00 62.13 H new ATOM 1661 N VAL A 106 29.847 5.799 5.242 1.00 11.22 N ATOM 1662 CA VAL A 106 28.434 5.692 4.900 1.00 34.43 C ATOM 1663 C VAL A 106 27.670 6.942 5.320 1.00 12.44 C ATOM 1664 O VAL A 106 27.791 7.403 6.455 1.00 42.32 O ATOM 1665 CB VAL A 106 27.787 4.461 5.565 1.00 45.43 C ATOM 1666 CG1 VAL A 106 28.664 3.942 6.694 1.00 0.43 C ATOM 1667 CG2 VAL A 106 26.394 4.801 6.073 1.00 44.02 C ATOM 0 H VAL A 106 30.029 5.995 6.226 1.00 11.22 H new ATOM 0 HA VAL A 106 28.378 5.583 3.817 1.00 34.43 H new ATOM 0 HB VAL A 106 27.694 3.673 4.818 1.00 45.43 H new ATOM 0 HG11 VAL A 106 28.191 3.073 7.152 1.00 0.43 H new ATOM 0 HG12 VAL A 106 29.638 3.658 6.297 1.00 0.43 H new ATOM 0 HG13 VAL A 106 28.792 4.723 7.444 1.00 0.43 H new ATOM 0 HG21 VAL A 106 25.952 3.921 6.539 1.00 44.02 H new ATOM 0 HG22 VAL A 106 26.460 5.605 6.806 1.00 44.02 H new ATOM 0 HG23 VAL A 106 25.770 5.121 5.238 1.00 44.02 H new ATOM 1677 N GLU A 107 26.882 7.486 4.398 1.00 44.24 N ATOM 1678 CA GLU A 107 26.099 8.685 4.673 1.00 34.42 C ATOM 1679 C GLU A 107 24.640 8.485 4.272 1.00 70.12 C ATOM 1680 O GLU A 107 24.339 7.772 3.314 1.00 60.30 O ATOM 1681 CB GLU A 107 26.684 9.886 3.928 1.00 1.24 C ATOM 1682 CG GLU A 107 25.811 11.128 3.995 1.00 71.11 C ATOM 1683 CD GLU A 107 25.642 11.647 5.410 1.00 52.14 C ATOM 1684 OE1 GLU A 107 26.663 11.991 6.041 1.00 42.14 O ATOM 1685 OE2 GLU A 107 24.489 11.709 5.886 1.00 41.24 O ATOM 0 H GLU A 107 26.769 7.116 3.454 1.00 44.24 H new ATOM 0 HA GLU A 107 26.141 8.877 5.745 1.00 34.42 H new ATOM 0 HB2 GLU A 107 27.664 10.118 4.344 1.00 1.24 H new ATOM 0 HB3 GLU A 107 26.837 9.616 2.883 1.00 1.24 H new ATOM 0 HG2 GLU A 107 26.250 11.910 3.375 1.00 71.11 H new ATOM 0 HG3 GLU A 107 24.831 10.902 3.576 1.00 71.11 H new ATOM 1692 N THR A 108 23.736 9.120 5.012 1.00 63.10 N ATOM 1693 CA THR A 108 22.309 9.012 4.736 1.00 65.43 C ATOM 1694 C THR A 108 21.704 10.376 4.427 1.00 0.13 C ATOM 1695 O THR A 108 21.944 11.349 5.143 1.00 22.41 O ATOM 1696 CB THR A 108 21.554 8.384 5.922 1.00 73.51 C ATOM 1697 OG1 THR A 108 22.197 8.732 7.153 1.00 41.33 O ATOM 1698 CG2 THR A 108 21.495 6.870 5.786 1.00 61.53 C ATOM 0 H THR A 108 23.967 9.715 5.808 1.00 63.10 H new ATOM 0 HA THR A 108 22.203 8.366 3.865 1.00 65.43 H new ATOM 0 HB THR A 108 20.536 8.773 5.922 1.00 73.51 H new ATOM 0 HG1 THR A 108 21.570 9.225 7.722 1.00 41.33 H new ATOM 0 HG21 THR A 108 20.957 6.449 6.635 1.00 61.53 H new ATOM 0 HG22 THR A 108 20.978 6.607 4.863 1.00 61.53 H new ATOM 0 HG23 THR A 108 22.508 6.467 5.762 1.00 61.53 H new ATOM 1706 N ASP A 109 20.918 10.441 3.359 1.00 53.24 N ATOM 1707 CA ASP A 109 20.276 11.687 2.956 1.00 12.44 C ATOM 1708 C ASP A 109 18.786 11.476 2.708 1.00 73.54 C ATOM 1709 O ASP A 109 18.374 10.436 2.193 1.00 42.45 O ATOM 1710 CB ASP A 109 20.941 12.246 1.698 1.00 64.34 C ATOM 1711 CG ASP A 109 21.102 13.752 1.747 1.00 12.42 C ATOM 1712 OD1 ASP A 109 21.339 14.288 2.850 1.00 13.24 O ATOM 1713 OD2 ASP A 109 20.991 14.396 0.683 1.00 63.31 O ATOM 0 H ASP A 109 20.710 9.645 2.756 1.00 53.24 H new ATOM 0 HA ASP A 109 20.393 12.405 3.768 1.00 12.44 H new ATOM 0 HB2 ASP A 109 21.920 11.783 1.572 1.00 64.34 H new ATOM 0 HB3 ASP A 109 20.346 11.976 0.826 1.00 64.34 H new ATOM 1718 N MET A 110 17.982 12.467 3.078 1.00 2.12 N ATOM 1719 CA MET A 110 16.538 12.389 2.895 1.00 74.22 C ATOM 1720 C MET A 110 16.028 13.575 2.082 1.00 34.41 C ATOM 1721 O MET A 110 15.036 13.465 1.359 1.00 25.23 O ATOM 1722 CB MET A 110 15.832 12.344 4.251 1.00 35.23 C ATOM 1723 CG MET A 110 15.931 13.644 5.032 1.00 44.42 C ATOM 1724 SD MET A 110 15.242 13.513 6.693 1.00 73.45 S ATOM 1725 CE MET A 110 16.618 12.779 7.573 1.00 33.53 C ATOM 0 H MET A 110 18.306 13.334 3.507 1.00 2.12 H new ATOM 0 HA MET A 110 16.315 11.473 2.347 1.00 74.22 H new ATOM 0 HB2 MET A 110 14.781 12.102 4.096 1.00 35.23 H new ATOM 0 HB3 MET A 110 16.260 11.538 4.847 1.00 35.23 H new ATOM 0 HG2 MET A 110 16.977 13.944 5.100 1.00 44.42 H new ATOM 0 HG3 MET A 110 15.409 14.431 4.488 1.00 44.42 H new ATOM 0 HE1 MET A 110 16.346 12.635 8.619 1.00 33.53 H new ATOM 0 HE2 MET A 110 16.864 11.816 7.126 1.00 33.53 H new ATOM 0 HE3 MET A 110 17.483 13.439 7.511 1.00 33.53 H new TER 1735 MET A 110