USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 831 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 95 SER OG : rot -92:sc= 1.02 USER MOD Set 1.2: A 98 GLN : amide:sc= -0.173 X(o=0.85,f=1.2) USER MOD Set 2.1: A 8 THR OG1 : rot -44:sc= 1.26 USER MOD Set 2.2: A 11 SER OG : rot 99:sc= 2.38 USER MOD Set 3.1: A 1 SER N :NH3+ 144:sc= 0.0954 (180deg=0.00372) USER MOD Set 3.2: A 6 HIS : no HE2:sc= -0.103 X(o=-0.008,f=-0.0023) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00185 USER MOD Single : A 3 LYS NZ :NH3+ -147:sc= 1.18 (180deg=-0.00115) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0769 USER MOD Single : A 18 LYS NZ :NH3+ -171:sc= -0.0201 (180deg=-0.149) USER MOD Single : A 36 LYS NZ :NH3+ -179:sc= 1 (180deg=0.998) USER MOD Single : A 37 MET CE :methyl 169:sc= 0 (180deg=-0.154) USER MOD Single : A 49 TYR OH : rot 129:sc= 0.325 USER MOD Single : A 50 GLN : amide:sc= 0.477 K(o=0.48,f=-0.086) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -179:sc= -0.134 (180deg=-0.154) USER MOD Single : A 59 ASN : amide:sc= 2.54 K(o=2.5,f=-8!) USER MOD Single : A 62 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.043) USER MOD Single : A 63 ASN : amide:sc= 1.37 K(o=1.4,f=-4.5!) USER MOD Single : A 66 THR OG1 : rot -44:sc= 1.23 USER MOD Single : A 69 LYS NZ :NH3+ -160:sc= 1.28 (180deg=1) USER MOD Single : A 70 TYR OH : rot -140:sc= 0.61 USER MOD Single : A 77 THR OG1 : rot -59:sc= 1.25 USER MOD Single : A 82 LYS NZ :NH3+ -161:sc= 1.24 (180deg=0.813) USER MOD Single : A 83 ASN : amide:sc= 0.648 K(o=0.65,f=-0.071) USER MOD Single : A 89 THR OG1 : rot 35:sc= 1.04 USER MOD Single : A 90 LYS NZ :NH3+ -153:sc= 0.832 (180deg=0.0864) USER MOD Single : A 96 LYS NZ :NH3+ 147:sc= 0.665 (180deg=0.458) USER MOD Single : A 100 LYS NZ :NH3+ 167:sc= 0.916 (180deg=0.815) USER MOD Single : A 106 ASN : amide:sc= 0.898 K(o=0.9,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.557 -12.274 -3.155 1.00 0.00 N ATOM 2 CA SER A 1 4.727 -11.415 -3.067 1.00 0.00 C ATOM 3 C SER A 1 4.749 -10.760 -1.682 1.00 0.00 C ATOM 4 O SER A 1 3.890 -9.928 -1.397 1.00 0.00 O ATOM 5 CB SER A 1 4.684 -10.372 -4.192 1.00 0.00 C ATOM 6 OG SER A 1 4.370 -10.983 -5.428 1.00 0.00 O ATOM 0 H1 SER A 1 3.171 -12.238 -4.120 1.00 0.00 H new ATOM 0 H2 SER A 1 3.826 -13.252 -2.926 1.00 0.00 H new ATOM 0 H3 SER A 1 2.835 -11.947 -2.481 1.00 0.00 H new ATOM 0 HA SER A 1 5.643 -11.993 -3.191 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.942 -9.609 -3.959 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.648 -9.868 -4.264 1.00 0.00 H new ATOM 0 HG SER A 1 4.345 -10.302 -6.133 1.00 0.00 H new ATOM 12 N ASP A 2 5.695 -11.161 -0.824 1.00 0.00 N ATOM 13 CA ASP A 2 5.859 -10.696 0.555 1.00 0.00 C ATOM 14 C ASP A 2 4.522 -10.514 1.283 1.00 0.00 C ATOM 15 O ASP A 2 3.947 -11.497 1.742 1.00 0.00 O ATOM 16 CB ASP A 2 6.779 -9.467 0.615 1.00 0.00 C ATOM 17 CG ASP A 2 7.050 -9.037 2.055 1.00 0.00 C ATOM 18 OD1 ASP A 2 7.843 -9.739 2.717 1.00 0.00 O ATOM 19 OD2 ASP A 2 6.440 -8.034 2.480 1.00 0.00 O ATOM 0 H ASP A 2 6.399 -11.851 -1.087 1.00 0.00 H new ATOM 0 HA ASP A 2 6.363 -11.483 1.115 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.723 -9.694 0.119 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.321 -8.642 0.068 1.00 0.00 H new ATOM 24 N LYS A 3 4.031 -9.274 1.398 1.00 0.00 N ATOM 25 CA LYS A 3 2.777 -8.944 2.057 1.00 0.00 C ATOM 26 C LYS A 3 1.989 -7.977 1.168 1.00 0.00 C ATOM 27 O LYS A 3 1.339 -7.057 1.657 1.00 0.00 O ATOM 28 CB LYS A 3 3.076 -8.361 3.447 1.00 0.00 C ATOM 29 CG LYS A 3 3.724 -9.414 4.362 1.00 0.00 C ATOM 30 CD LYS A 3 3.970 -8.886 5.781 1.00 0.00 C ATOM 31 CE LYS A 3 5.122 -7.875 5.869 1.00 0.00 C ATOM 32 NZ LYS A 3 6.412 -8.460 5.464 1.00 0.00 N ATOM 0 H LYS A 3 4.513 -8.457 1.023 1.00 0.00 H new ATOM 0 HA LYS A 3 2.162 -9.832 2.203 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.740 -7.502 3.349 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.152 -8.000 3.900 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.081 -10.293 4.411 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.671 -9.735 3.928 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.057 -8.417 6.149 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.184 -9.727 6.441 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.899 -7.018 5.234 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.199 -7.503 6.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.179 -8.027 6.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.398 -9.485 5.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.572 -8.281 4.452 1.00 0.00 H new ATOM 46 N ILE A 4 2.064 -8.188 -0.149 1.00 0.00 N ATOM 47 CA ILE A 4 1.385 -7.373 -1.141 1.00 0.00 C ATOM 48 C ILE A 4 0.016 -7.976 -1.453 1.00 0.00 C ATOM 49 O ILE A 4 -0.119 -9.192 -1.573 1.00 0.00 O ATOM 50 CB ILE A 4 2.237 -7.272 -2.414 1.00 0.00 C ATOM 51 CG1 ILE A 4 3.602 -6.638 -2.084 1.00 0.00 C ATOM 52 CG2 ILE A 4 1.476 -6.463 -3.468 1.00 0.00 C ATOM 53 CD1 ILE A 4 4.406 -6.211 -3.307 1.00 0.00 C ATOM 0 H ILE A 4 2.611 -8.947 -0.556 1.00 0.00 H new ATOM 0 HA ILE A 4 1.242 -6.368 -0.745 1.00 0.00 H new ATOM 0 HB ILE A 4 2.426 -8.267 -2.818 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.441 -5.768 -1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.191 -7.351 -1.507 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.078 -6.389 -4.374 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.534 -6.960 -3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.274 -5.463 -3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.352 -5.775 -2.986 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.601 -7.080 -3.936 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.840 -5.472 -3.875 1.00 0.00 H new ATOM 65 N ILE A 5 -0.993 -7.115 -1.613 1.00 0.00 N ATOM 66 CA ILE A 5 -2.350 -7.530 -1.934 1.00 0.00 C ATOM 67 C ILE A 5 -2.568 -7.585 -3.447 1.00 0.00 C ATOM 68 O ILE A 5 -2.403 -6.599 -4.167 1.00 0.00 O ATOM 69 CB ILE A 5 -3.378 -6.627 -1.229 1.00 0.00 C ATOM 70 CG1 ILE A 5 -3.072 -6.401 0.265 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.794 -7.194 -1.407 1.00 0.00 C ATOM 72 CD1 ILE A 5 -2.952 -7.686 1.093 1.00 0.00 C ATOM 0 H ILE A 5 -0.884 -6.105 -1.522 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.498 -8.542 -1.558 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.311 -5.649 -1.706 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.141 -5.841 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.859 -5.780 0.694 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.511 -6.546 -0.904 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.034 -7.246 -2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.843 -8.194 -0.975 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.736 -7.431 2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.889 -8.240 1.043 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.145 -8.301 0.695 1.00 0.00 H new ATOM 84 N HIS A 6 -2.961 -8.761 -3.928 1.00 0.00 N ATOM 85 CA HIS A 6 -3.228 -9.024 -5.327 1.00 0.00 C ATOM 86 C HIS A 6 -4.727 -8.860 -5.559 1.00 0.00 C ATOM 87 O HIS A 6 -5.490 -9.820 -5.511 1.00 0.00 O ATOM 88 CB HIS A 6 -2.636 -10.398 -5.659 1.00 0.00 C ATOM 89 CG HIS A 6 -1.136 -10.363 -5.461 1.00 0.00 C ATOM 90 ND1 HIS A 6 -0.419 -10.854 -4.382 1.00 0.00 N ATOM 91 CD2 HIS A 6 -0.320 -9.497 -6.128 1.00 0.00 C ATOM 92 CE1 HIS A 6 0.819 -10.322 -4.436 1.00 0.00 C ATOM 93 NE2 HIS A 6 0.903 -9.510 -5.500 1.00 0.00 N ATOM 0 H HIS A 6 -3.105 -9.577 -3.333 1.00 0.00 H new ATOM 0 HA HIS A 6 -2.754 -8.324 -6.015 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.080 -11.161 -5.020 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -2.871 -10.668 -6.688 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -0.765 -11.501 -3.674 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.586 -8.908 -6.993 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.616 -10.519 -3.734 1.00 0.00 H new ATOM 102 N LEU A 7 -5.130 -7.603 -5.759 1.00 0.00 N ATOM 103 CA LEU A 7 -6.511 -7.188 -5.928 1.00 0.00 C ATOM 104 C LEU A 7 -7.120 -7.687 -7.233 1.00 0.00 C ATOM 105 O LEU A 7 -6.409 -8.052 -8.170 1.00 0.00 O ATOM 106 CB LEU A 7 -6.555 -5.657 -5.993 1.00 0.00 C ATOM 107 CG LEU A 7 -6.004 -4.923 -4.769 1.00 0.00 C ATOM 108 CD1 LEU A 7 -5.989 -3.437 -5.121 1.00 0.00 C ATOM 109 CD2 LEU A 7 -6.897 -5.125 -3.548 1.00 0.00 C ATOM 0 H LEU A 7 -4.474 -6.823 -5.808 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.072 -7.601 -5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.995 -5.333 -6.870 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.589 -5.348 -6.143 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.013 -5.305 -4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.602 -2.867 -4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.351 -3.275 -5.990 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.003 -3.107 -5.348 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.476 -4.590 -2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.895 -4.742 -3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.959 -6.188 -3.314 1.00 0.00 H new ATOM 121 N THR A 8 -8.449 -7.590 -7.307 1.00 0.00 N ATOM 122 CA THR A 8 -9.226 -7.840 -8.503 1.00 0.00 C ATOM 123 C THR A 8 -10.129 -6.624 -8.705 1.00 0.00 C ATOM 124 O THR A 8 -10.375 -5.884 -7.751 1.00 0.00 O ATOM 125 CB THR A 8 -10.075 -9.104 -8.346 1.00 0.00 C ATOM 126 OG1 THR A 8 -11.008 -8.927 -7.294 1.00 0.00 O ATOM 127 CG2 THR A 8 -9.212 -10.337 -8.062 1.00 0.00 C ATOM 0 H THR A 8 -9.023 -7.327 -6.506 1.00 0.00 H new ATOM 0 HA THR A 8 -8.570 -7.994 -9.360 1.00 0.00 H new ATOM 0 HB THR A 8 -10.599 -9.270 -9.287 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.563 -8.506 -6.529 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.852 -11.213 -7.957 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.517 -10.492 -8.887 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.652 -10.184 -7.139 1.00 0.00 H new ATOM 135 N ASP A 9 -10.657 -6.427 -9.915 1.00 0.00 N ATOM 136 CA ASP A 9 -11.589 -5.332 -10.172 1.00 0.00 C ATOM 137 C ASP A 9 -12.769 -5.436 -9.201 1.00 0.00 C ATOM 138 O ASP A 9 -13.189 -4.450 -8.603 1.00 0.00 O ATOM 139 CB ASP A 9 -12.083 -5.379 -11.621 1.00 0.00 C ATOM 140 CG ASP A 9 -13.000 -4.195 -11.914 1.00 0.00 C ATOM 141 OD1 ASP A 9 -12.462 -3.066 -11.952 1.00 0.00 O ATOM 142 OD2 ASP A 9 -14.211 -4.435 -12.101 1.00 0.00 O ATOM 0 H ASP A 9 -10.455 -7.010 -10.728 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.079 -4.381 -10.019 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.232 -5.364 -12.302 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.617 -6.312 -11.799 1.00 0.00 H new ATOM 147 N ASP A 10 -13.283 -6.658 -9.050 1.00 0.00 N ATOM 148 CA ASP A 10 -14.398 -6.989 -8.178 1.00 0.00 C ATOM 149 C ASP A 10 -14.090 -6.644 -6.721 1.00 0.00 C ATOM 150 O ASP A 10 -14.919 -6.048 -6.038 1.00 0.00 O ATOM 151 CB ASP A 10 -14.723 -8.485 -8.305 1.00 0.00 C ATOM 152 CG ASP A 10 -15.019 -8.894 -9.744 1.00 0.00 C ATOM 153 OD1 ASP A 10 -14.036 -8.987 -10.512 1.00 0.00 O ATOM 154 OD2 ASP A 10 -16.213 -9.100 -10.049 1.00 0.00 O ATOM 0 H ASP A 10 -12.918 -7.468 -9.551 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.260 -6.397 -8.486 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.884 -9.070 -7.929 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.583 -8.722 -7.678 1.00 0.00 H new ATOM 159 N SER A 11 -12.909 -7.032 -6.228 1.00 0.00 N ATOM 160 CA SER A 11 -12.567 -6.831 -4.826 1.00 0.00 C ATOM 161 C SER A 11 -12.154 -5.384 -4.542 1.00 0.00 C ATOM 162 O SER A 11 -12.276 -4.925 -3.406 1.00 0.00 O ATOM 163 CB SER A 11 -11.500 -7.850 -4.409 1.00 0.00 C ATOM 164 OG SER A 11 -10.242 -7.582 -5.014 1.00 0.00 O ATOM 0 H SER A 11 -12.181 -7.484 -6.780 1.00 0.00 H new ATOM 0 HA SER A 11 -13.453 -7.003 -4.214 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.391 -7.837 -3.325 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.829 -8.852 -4.684 1.00 0.00 H new ATOM 0 HG SER A 11 -9.667 -7.109 -4.377 1.00 0.00 H new ATOM 170 N PHE A 12 -11.670 -4.671 -5.567 1.00 0.00 N ATOM 171 CA PHE A 12 -11.242 -3.281 -5.516 1.00 0.00 C ATOM 172 C PHE A 12 -12.097 -2.412 -4.593 1.00 0.00 C ATOM 173 O PHE A 12 -11.564 -1.690 -3.754 1.00 0.00 O ATOM 174 CB PHE A 12 -11.253 -2.693 -6.933 1.00 0.00 C ATOM 175 CG PHE A 12 -10.395 -1.456 -7.072 1.00 0.00 C ATOM 176 CD1 PHE A 12 -10.882 -0.192 -6.690 1.00 0.00 C ATOM 177 CD2 PHE A 12 -9.058 -1.601 -7.476 1.00 0.00 C ATOM 178 CE1 PHE A 12 -10.025 0.922 -6.719 1.00 0.00 C ATOM 179 CE2 PHE A 12 -8.228 -0.477 -7.580 1.00 0.00 C ATOM 180 CZ PHE A 12 -8.715 0.786 -7.208 1.00 0.00 C ATOM 0 H PHE A 12 -11.564 -5.075 -6.498 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.234 -3.277 -5.100 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.905 -3.450 -7.636 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.279 -2.449 -7.210 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.909 -0.078 -6.376 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.668 -2.581 -7.707 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.373 1.881 -6.366 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.217 -0.582 -7.945 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.081 1.656 -7.298 1.00 0.00 H new ATOM 190 N ASP A 13 -13.423 -2.464 -4.743 1.00 0.00 N ATOM 191 CA ASP A 13 -14.335 -1.682 -3.917 1.00 0.00 C ATOM 192 C ASP A 13 -14.084 -1.963 -2.433 1.00 0.00 C ATOM 193 O ASP A 13 -13.706 -1.077 -1.670 1.00 0.00 O ATOM 194 CB ASP A 13 -15.786 -2.003 -4.300 1.00 0.00 C ATOM 195 CG ASP A 13 -16.770 -1.404 -3.297 1.00 0.00 C ATOM 196 OD1 ASP A 13 -17.044 -0.191 -3.421 1.00 0.00 O ATOM 197 OD2 ASP A 13 -17.209 -2.162 -2.405 1.00 0.00 O ATOM 0 H ASP A 13 -13.889 -3.047 -5.438 1.00 0.00 H new ATOM 0 HA ASP A 13 -14.157 -0.621 -4.092 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -15.996 -1.613 -5.296 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.922 -3.084 -4.345 1.00 0.00 H new ATOM 202 N THR A 14 -14.315 -3.206 -2.021 1.00 0.00 N ATOM 203 CA THR A 14 -14.175 -3.629 -0.643 1.00 0.00 C ATOM 204 C THR A 14 -12.756 -3.415 -0.118 1.00 0.00 C ATOM 205 O THR A 14 -12.579 -3.129 1.061 1.00 0.00 O ATOM 206 CB THR A 14 -14.600 -5.098 -0.562 1.00 0.00 C ATOM 207 OG1 THR A 14 -15.691 -5.314 -1.439 1.00 0.00 O ATOM 208 CG2 THR A 14 -15.003 -5.501 0.859 1.00 0.00 C ATOM 0 H THR A 14 -14.609 -3.954 -2.649 1.00 0.00 H new ATOM 0 HA THR A 14 -14.814 -3.021 -0.003 1.00 0.00 H new ATOM 0 HB THR A 14 -13.747 -5.712 -0.851 1.00 0.00 H new ATOM 0 HG1 THR A 14 -15.967 -6.253 -1.393 1.00 0.00 H new ATOM 0 HG21 THR A 14 -15.297 -6.551 0.870 1.00 0.00 H new ATOM 0 HG22 THR A 14 -14.159 -5.354 1.532 1.00 0.00 H new ATOM 0 HG23 THR A 14 -15.841 -4.886 1.188 1.00 0.00 H new ATOM 216 N ASP A 15 -11.750 -3.581 -0.976 1.00 0.00 N ATOM 217 CA ASP A 15 -10.358 -3.468 -0.578 1.00 0.00 C ATOM 218 C ASP A 15 -9.873 -2.016 -0.560 1.00 0.00 C ATOM 219 O ASP A 15 -9.502 -1.488 0.483 1.00 0.00 O ATOM 220 CB ASP A 15 -9.484 -4.294 -1.535 1.00 0.00 C ATOM 221 CG ASP A 15 -9.812 -5.783 -1.571 1.00 0.00 C ATOM 222 OD1 ASP A 15 -10.328 -6.299 -0.555 1.00 0.00 O ATOM 223 OD2 ASP A 15 -9.532 -6.389 -2.629 1.00 0.00 O ATOM 0 H ASP A 15 -11.883 -3.797 -1.964 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.274 -3.851 0.439 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.587 -3.888 -2.541 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.439 -4.173 -1.248 1.00 0.00 H new ATOM 228 N VAL A 16 -9.821 -1.392 -1.736 1.00 0.00 N ATOM 229 CA VAL A 16 -9.249 -0.076 -1.960 1.00 0.00 C ATOM 230 C VAL A 16 -10.195 1.050 -1.559 1.00 0.00 C ATOM 231 O VAL A 16 -9.779 2.013 -0.913 1.00 0.00 O ATOM 232 CB VAL A 16 -8.842 0.066 -3.433 1.00 0.00 C ATOM 233 CG1 VAL A 16 -8.042 1.355 -3.641 1.00 0.00 C ATOM 234 CG2 VAL A 16 -7.986 -1.117 -3.895 1.00 0.00 C ATOM 0 H VAL A 16 -10.192 -1.811 -2.589 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.369 0.012 -1.323 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.760 0.092 -4.020 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.760 1.443 -4.690 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.652 2.212 -3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.143 1.329 -3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.716 -0.984 -4.943 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.080 -1.169 -3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.552 -2.042 -3.781 1.00 0.00 H new ATOM 244 N LEU A 17 -11.470 0.967 -1.940 1.00 0.00 N ATOM 245 CA LEU A 17 -12.369 2.055 -1.581 1.00 0.00 C ATOM 246 C LEU A 17 -12.529 2.130 -0.061 1.00 0.00 C ATOM 247 O LEU A 17 -12.654 3.221 0.490 1.00 0.00 O ATOM 248 CB LEU A 17 -13.650 2.060 -2.417 1.00 0.00 C ATOM 249 CG LEU A 17 -13.351 2.169 -3.929 1.00 0.00 C ATOM 250 CD1 LEU A 17 -14.660 2.351 -4.695 1.00 0.00 C ATOM 251 CD2 LEU A 17 -12.424 3.337 -4.294 1.00 0.00 C ATOM 0 H LEU A 17 -11.885 0.200 -2.469 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.923 3.010 -1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.213 1.147 -2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.280 2.895 -2.110 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.841 1.245 -4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.450 2.428 -5.762 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -15.310 1.495 -4.514 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -15.156 3.261 -4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.260 3.349 -5.372 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.884 4.276 -3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.469 3.217 -3.783 1.00 0.00 H new ATOM 263 N LYS A 18 -12.424 0.989 0.628 1.00 0.00 N ATOM 264 CA LYS A 18 -12.400 0.941 2.088 1.00 0.00 C ATOM 265 C LYS A 18 -10.948 0.887 2.609 1.00 0.00 C ATOM 266 O LYS A 18 -10.696 0.291 3.655 1.00 0.00 O ATOM 267 CB LYS A 18 -13.218 -0.254 2.605 1.00 0.00 C ATOM 268 CG LYS A 18 -14.510 -0.533 1.821 1.00 0.00 C ATOM 269 CD LYS A 18 -15.491 0.647 1.841 1.00 0.00 C ATOM 270 CE LYS A 18 -16.690 0.370 0.925 1.00 0.00 C ATOM 271 NZ LYS A 18 -16.298 0.359 -0.496 1.00 0.00 N ATOM 0 H LYS A 18 -12.353 0.073 0.185 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.859 1.853 2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.592 -1.146 2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.474 -0.077 3.650 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -14.257 -0.770 0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.000 -1.412 2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.838 0.821 2.860 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.982 1.555 1.518 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.135 -0.590 1.187 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.454 1.130 1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.150 0.322 -1.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.761 1.222 -0.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.706 -0.475 -0.686 1.00 0.00 H new ATOM 285 N ALA A 19 -9.983 1.483 1.890 1.00 0.00 N ATOM 286 CA ALA A 19 -8.570 1.480 2.265 1.00 0.00 C ATOM 287 C ALA A 19 -8.285 2.240 3.561 1.00 0.00 C ATOM 288 O ALA A 19 -7.727 3.338 3.522 1.00 0.00 O ATOM 289 CB ALA A 19 -7.709 2.073 1.144 1.00 0.00 C ATOM 0 H ALA A 19 -10.170 1.985 1.022 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.312 0.434 2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.661 2.061 1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.833 1.480 0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.019 3.100 0.951 1.00 0.00 H new ATOM 295 N ASP A 20 -8.633 1.654 4.706 1.00 0.00 N ATOM 296 CA ASP A 20 -8.323 2.234 6.002 1.00 0.00 C ATOM 297 C ASP A 20 -6.808 2.448 6.082 1.00 0.00 C ATOM 298 O ASP A 20 -6.030 1.586 5.670 1.00 0.00 O ATOM 299 CB ASP A 20 -8.814 1.316 7.125 1.00 0.00 C ATOM 300 CG ASP A 20 -8.449 1.869 8.500 1.00 0.00 C ATOM 301 OD1 ASP A 20 -8.580 3.101 8.674 1.00 0.00 O ATOM 302 OD2 ASP A 20 -8.044 1.051 9.354 1.00 0.00 O ATOM 0 H ASP A 20 -9.135 0.768 4.756 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.830 3.192 6.120 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.895 1.199 7.054 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.378 0.325 7.003 1.00 0.00 H new ATOM 307 N GLY A 21 -6.384 3.610 6.574 1.00 0.00 N ATOM 308 CA GLY A 21 -4.978 3.966 6.621 1.00 0.00 C ATOM 309 C GLY A 21 -4.554 4.391 5.216 1.00 0.00 C ATOM 310 O GLY A 21 -4.764 5.545 4.845 1.00 0.00 O ATOM 0 H GLY A 21 -7.007 4.325 6.949 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.813 4.777 7.331 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.381 3.119 6.960 1.00 0.00 H new ATOM 314 N ALA A 22 -3.982 3.474 4.430 1.00 0.00 N ATOM 315 CA ALA A 22 -3.554 3.768 3.072 1.00 0.00 C ATOM 316 C ALA A 22 -3.234 2.479 2.315 1.00 0.00 C ATOM 317 O ALA A 22 -2.552 1.603 2.853 1.00 0.00 O ATOM 318 CB ALA A 22 -2.319 4.671 3.107 1.00 0.00 C ATOM 0 H ALA A 22 -3.806 2.513 4.722 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.365 4.279 2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.000 4.890 2.088 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.563 5.602 3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.513 4.165 3.639 1.00 0.00 H new ATOM 324 N ILE A 23 -3.686 2.386 1.059 1.00 0.00 N ATOM 325 CA ILE A 23 -3.405 1.282 0.150 1.00 0.00 C ATOM 326 C ILE A 23 -2.680 1.854 -1.071 1.00 0.00 C ATOM 327 O ILE A 23 -3.165 2.804 -1.682 1.00 0.00 O ATOM 328 CB ILE A 23 -4.689 0.506 -0.220 1.00 0.00 C ATOM 329 CG1 ILE A 23 -4.994 -0.531 0.873 1.00 0.00 C ATOM 330 CG2 ILE A 23 -4.558 -0.200 -1.573 1.00 0.00 C ATOM 331 CD1 ILE A 23 -6.294 -1.319 0.701 1.00 0.00 C ATOM 0 H ILE A 23 -4.276 3.104 0.639 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.762 0.547 0.633 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.504 1.225 -0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.166 -1.238 0.917 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.027 -0.018 1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.482 -0.734 -1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.369 0.539 -2.352 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.730 -0.908 -1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.407 -2.020 1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.139 -0.630 0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.264 -1.869 -0.240 1.00 0.00 H new ATOM 343 N LEU A 24 -1.534 1.272 -1.439 1.00 0.00 N ATOM 344 CA LEU A 24 -0.752 1.678 -2.604 1.00 0.00 C ATOM 345 C LEU A 24 -0.995 0.656 -3.703 1.00 0.00 C ATOM 346 O LEU A 24 -0.438 -0.438 -3.644 1.00 0.00 O ATOM 347 CB LEU A 24 0.731 1.783 -2.220 1.00 0.00 C ATOM 348 CG LEU A 24 1.686 2.315 -3.308 1.00 0.00 C ATOM 349 CD1 LEU A 24 2.093 1.270 -4.352 1.00 0.00 C ATOM 350 CD2 LEU A 24 1.149 3.567 -4.002 1.00 0.00 C ATOM 0 H LEU A 24 -1.120 0.494 -0.926 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.054 2.661 -2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.813 2.431 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.076 0.795 -1.916 1.00 0.00 H new ATOM 0 HG LEU A 24 2.588 2.581 -2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.764 1.725 -5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.601 0.441 -3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.204 0.899 -4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.861 3.898 -4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.195 3.339 -4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.007 4.358 -3.266 1.00 0.00 H new ATOM 362 N VAL A 25 -1.820 0.996 -4.695 1.00 0.00 N ATOM 363 CA VAL A 25 -2.142 0.097 -5.790 1.00 0.00 C ATOM 364 C VAL A 25 -1.183 0.311 -6.954 1.00 0.00 C ATOM 365 O VAL A 25 -1.270 1.320 -7.653 1.00 0.00 O ATOM 366 CB VAL A 25 -3.593 0.267 -6.267 1.00 0.00 C ATOM 367 CG1 VAL A 25 -3.922 -0.868 -7.249 1.00 0.00 C ATOM 368 CG2 VAL A 25 -4.595 0.233 -5.114 1.00 0.00 C ATOM 0 H VAL A 25 -2.281 1.904 -4.756 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.033 -0.921 -5.415 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.676 1.243 -6.744 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.949 -0.762 -7.597 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.244 -0.820 -8.101 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.807 -1.828 -6.747 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.605 0.357 -5.506 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.522 -0.723 -4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.374 1.041 -4.416 1.00 0.00 H new ATOM 378 N ASP A 26 -0.312 -0.671 -7.189 1.00 0.00 N ATOM 379 CA ASP A 26 0.576 -0.709 -8.334 1.00 0.00 C ATOM 380 C ASP A 26 -0.168 -1.432 -9.455 1.00 0.00 C ATOM 381 O ASP A 26 -0.349 -2.646 -9.385 1.00 0.00 O ATOM 382 CB ASP A 26 1.866 -1.457 -7.976 1.00 0.00 C ATOM 383 CG ASP A 26 2.707 -1.747 -9.216 1.00 0.00 C ATOM 384 OD1 ASP A 26 2.727 -0.972 -10.165 1.00 0.00 O ATOM 385 OD2 ASP A 26 3.428 -2.898 -9.243 1.00 0.00 O ATOM 0 H ASP A 26 -0.208 -1.476 -6.571 1.00 0.00 H new ATOM 0 HA ASP A 26 0.854 0.298 -8.646 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.448 -0.864 -7.271 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.618 -2.393 -7.476 1.00 0.00 H new ATOM 391 N PHE A 27 -0.594 -0.710 -10.488 1.00 0.00 N ATOM 392 CA PHE A 27 -1.255 -1.317 -11.634 1.00 0.00 C ATOM 393 C PHE A 27 -0.141 -1.902 -12.499 1.00 0.00 C ATOM 394 O PHE A 27 0.721 -1.144 -12.945 1.00 0.00 O ATOM 395 CB PHE A 27 -2.079 -0.270 -12.396 1.00 0.00 C ATOM 396 CG PHE A 27 -3.391 0.110 -11.726 1.00 0.00 C ATOM 397 CD1 PHE A 27 -3.400 0.745 -10.470 1.00 0.00 C ATOM 398 CD2 PHE A 27 -4.615 -0.185 -12.355 1.00 0.00 C ATOM 399 CE1 PHE A 27 -4.618 1.069 -9.849 1.00 0.00 C ATOM 400 CE2 PHE A 27 -5.831 0.150 -11.737 1.00 0.00 C ATOM 401 CZ PHE A 27 -5.837 0.774 -10.480 1.00 0.00 C ATOM 0 H PHE A 27 -0.491 0.303 -10.552 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.958 -2.095 -11.335 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.475 0.629 -12.520 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.293 -0.651 -13.395 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.467 0.984 -9.982 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.619 -0.672 -13.319 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.617 1.548 -8.881 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.765 -0.073 -12.231 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.772 1.025 -10.002 1.00 0.00 H new ATOM 411 N TRP A 28 -0.129 -3.225 -12.702 1.00 0.00 N ATOM 412 CA TRP A 28 0.911 -3.939 -13.438 1.00 0.00 C ATOM 413 C TRP A 28 0.328 -4.925 -14.451 1.00 0.00 C ATOM 414 O TRP A 28 -0.887 -5.087 -14.545 1.00 0.00 O ATOM 415 CB TRP A 28 1.826 -4.664 -12.437 1.00 0.00 C ATOM 416 CG TRP A 28 1.241 -5.875 -11.775 1.00 0.00 C ATOM 417 CD1 TRP A 28 0.327 -5.868 -10.784 1.00 0.00 C ATOM 418 CD2 TRP A 28 1.500 -7.281 -12.063 1.00 0.00 C ATOM 419 NE1 TRP A 28 -0.026 -7.164 -10.459 1.00 0.00 N ATOM 420 CE2 TRP A 28 0.662 -8.080 -11.229 1.00 0.00 C ATOM 421 CE3 TRP A 28 2.372 -7.961 -12.937 1.00 0.00 C ATOM 422 CZ2 TRP A 28 0.661 -9.484 -11.296 1.00 0.00 C ATOM 423 CZ3 TRP A 28 2.377 -9.365 -13.013 1.00 0.00 C ATOM 424 CH2 TRP A 28 1.502 -10.125 -12.222 1.00 0.00 C ATOM 0 H TRP A 28 -0.862 -3.840 -12.349 1.00 0.00 H new ATOM 0 HA TRP A 28 1.489 -3.212 -14.009 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.737 -4.962 -12.956 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.118 -3.955 -11.662 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -0.071 -4.981 -10.314 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.708 -7.412 -9.742 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.048 -7.394 -13.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.023 -10.062 -10.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.060 -9.863 -13.686 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.475 -11.200 -12.324 1.00 0.00 H new ATOM 435 N ALA A 29 1.208 -5.599 -15.196 1.00 0.00 N ATOM 436 CA ALA A 29 0.866 -6.604 -16.193 1.00 0.00 C ATOM 437 C ALA A 29 2.038 -7.575 -16.327 1.00 0.00 C ATOM 438 O ALA A 29 3.174 -7.189 -16.062 1.00 0.00 O ATOM 439 CB ALA A 29 0.610 -5.928 -17.537 1.00 0.00 C ATOM 0 H ALA A 29 2.214 -5.451 -15.115 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.033 -7.140 -15.887 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.354 -6.683 -18.281 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.215 -5.222 -17.438 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.507 -5.396 -17.853 1.00 0.00 H new ATOM 445 N GLU A 30 1.786 -8.815 -16.757 1.00 0.00 N ATOM 446 CA GLU A 30 2.825 -9.832 -16.906 1.00 0.00 C ATOM 447 C GLU A 30 3.960 -9.390 -17.838 1.00 0.00 C ATOM 448 O GLU A 30 5.079 -9.872 -17.712 1.00 0.00 O ATOM 449 CB GLU A 30 2.251 -11.179 -17.373 1.00 0.00 C ATOM 450 CG GLU A 30 1.075 -11.713 -16.544 1.00 0.00 C ATOM 451 CD GLU A 30 -0.275 -11.265 -17.095 1.00 0.00 C ATOM 452 OE1 GLU A 30 -0.626 -10.101 -16.808 1.00 0.00 O ATOM 453 OE2 GLU A 30 -0.921 -12.078 -17.789 1.00 0.00 O ATOM 0 H GLU A 30 0.853 -9.140 -17.011 1.00 0.00 H new ATOM 0 HA GLU A 30 3.248 -9.964 -15.910 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.928 -11.078 -18.409 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.050 -11.920 -17.359 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.113 -12.802 -16.524 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.175 -11.372 -15.514 1.00 0.00 H new ATOM 460 N TRP A 31 3.674 -8.481 -18.774 1.00 0.00 N ATOM 461 CA TRP A 31 4.638 -7.951 -19.732 1.00 0.00 C ATOM 462 C TRP A 31 5.318 -6.670 -19.225 1.00 0.00 C ATOM 463 O TRP A 31 6.215 -6.139 -19.881 1.00 0.00 O ATOM 464 CB TRP A 31 3.912 -7.713 -21.062 1.00 0.00 C ATOM 465 CG TRP A 31 2.639 -6.917 -20.987 1.00 0.00 C ATOM 466 CD1 TRP A 31 1.397 -7.441 -20.864 1.00 0.00 C ATOM 467 CD2 TRP A 31 2.456 -5.468 -21.025 1.00 0.00 C ATOM 468 NE1 TRP A 31 0.466 -6.426 -20.819 1.00 0.00 N ATOM 469 CE2 TRP A 31 1.060 -5.186 -20.925 1.00 0.00 C ATOM 470 CE3 TRP A 31 3.327 -4.362 -21.129 1.00 0.00 C ATOM 471 CZ2 TRP A 31 0.556 -3.879 -20.933 1.00 0.00 C ATOM 472 CZ3 TRP A 31 2.830 -3.045 -21.143 1.00 0.00 C ATOM 473 CH2 TRP A 31 1.447 -2.801 -21.055 1.00 0.00 C ATOM 0 H TRP A 31 2.741 -8.085 -18.886 1.00 0.00 H new ATOM 0 HA TRP A 31 5.440 -8.676 -19.871 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.596 -7.203 -21.740 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.685 -8.682 -21.507 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.170 -8.495 -20.809 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -0.538 -6.574 -20.720 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.392 -4.529 -21.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.506 -3.703 -20.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.516 -2.215 -21.222 1.00 0.00 H new ATOM 0 HH2 TRP A 31 1.072 -1.788 -21.081 1.00 0.00 H new ATOM 484 N CYS A 32 4.915 -6.147 -18.063 1.00 0.00 N ATOM 485 CA CYS A 32 5.457 -4.902 -17.540 1.00 0.00 C ATOM 486 C CYS A 32 6.819 -5.103 -16.870 1.00 0.00 C ATOM 487 O CYS A 32 6.912 -5.237 -15.650 1.00 0.00 O ATOM 488 CB CYS A 32 4.469 -4.290 -16.554 1.00 0.00 C ATOM 489 SG CYS A 32 5.044 -2.724 -15.868 1.00 0.00 S ATOM 0 H CYS A 32 4.208 -6.576 -17.466 1.00 0.00 H new ATOM 0 HA CYS A 32 5.609 -4.224 -18.380 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.514 -4.133 -17.055 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.291 -4.994 -15.741 1.00 0.00 H new ATOM 494 N GLY A 33 7.890 -5.117 -17.665 1.00 0.00 N ATOM 495 CA GLY A 33 9.261 -5.248 -17.173 1.00 0.00 C ATOM 496 C GLY A 33 9.532 -4.366 -15.942 1.00 0.00 C ATOM 497 O GLY A 33 9.878 -4.883 -14.879 1.00 0.00 O ATOM 0 H GLY A 33 7.828 -5.037 -18.680 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.454 -6.290 -16.919 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.956 -4.980 -17.968 1.00 0.00 H new ATOM 501 N PRO A 34 9.362 -3.036 -16.048 1.00 0.00 N ATOM 502 CA PRO A 34 9.572 -2.117 -14.938 1.00 0.00 C ATOM 503 C PRO A 34 8.768 -2.485 -13.683 1.00 0.00 C ATOM 504 O PRO A 34 9.219 -2.241 -12.565 1.00 0.00 O ATOM 505 CB PRO A 34 9.187 -0.734 -15.470 1.00 0.00 C ATOM 506 CG PRO A 34 9.391 -0.863 -16.979 1.00 0.00 C ATOM 507 CD PRO A 34 8.979 -2.309 -17.246 1.00 0.00 C ATOM 0 HA PRO A 34 10.610 -2.154 -14.608 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.155 -0.482 -15.224 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.816 0.049 -15.045 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.774 -0.156 -17.534 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.426 -0.676 -17.266 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.907 -2.387 -17.429 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.483 -2.707 -18.127 1.00 0.00 H new ATOM 515 N CYS A 35 7.589 -3.097 -13.840 1.00 0.00 N ATOM 516 CA CYS A 35 6.784 -3.510 -12.698 1.00 0.00 C ATOM 517 C CYS A 35 7.542 -4.599 -11.941 1.00 0.00 C ATOM 518 O CYS A 35 7.620 -4.566 -10.713 1.00 0.00 O ATOM 519 CB CYS A 35 5.382 -3.996 -13.085 1.00 0.00 C ATOM 520 SG CYS A 35 4.294 -2.822 -13.937 1.00 0.00 S ATOM 0 H CYS A 35 7.176 -3.314 -14.747 1.00 0.00 H new ATOM 0 HA CYS A 35 6.627 -2.637 -12.065 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.494 -4.874 -13.722 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.877 -4.324 -12.176 1.00 0.00 H new ATOM 525 N LYS A 36 8.142 -5.547 -12.674 1.00 0.00 N ATOM 526 CA LYS A 36 8.952 -6.589 -12.068 1.00 0.00 C ATOM 527 C LYS A 36 10.156 -5.937 -11.393 1.00 0.00 C ATOM 528 O LYS A 36 10.507 -6.305 -10.277 1.00 0.00 O ATOM 529 CB LYS A 36 9.422 -7.597 -13.121 1.00 0.00 C ATOM 530 CG LYS A 36 8.266 -8.184 -13.936 1.00 0.00 C ATOM 531 CD LYS A 36 8.872 -8.952 -15.113 1.00 0.00 C ATOM 532 CE LYS A 36 7.795 -9.444 -16.081 1.00 0.00 C ATOM 533 NZ LYS A 36 7.166 -8.326 -16.803 1.00 0.00 N ATOM 0 H LYS A 36 8.075 -5.605 -13.690 1.00 0.00 H new ATOM 0 HA LYS A 36 8.355 -7.129 -11.333 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.126 -7.110 -13.796 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.961 -8.406 -12.628 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.660 -8.846 -13.318 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.609 -7.392 -14.294 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.573 -8.309 -15.645 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.441 -9.803 -14.738 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.237 -10.138 -16.796 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.034 -9.996 -15.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.429 -8.694 -17.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.738 -7.669 -16.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.886 -7.825 -17.362 1.00 0.00 H new ATOM 547 N MET A 37 10.780 -4.965 -12.067 1.00 0.00 N ATOM 548 CA MET A 37 11.925 -4.245 -11.527 1.00 0.00 C ATOM 549 C MET A 37 11.591 -3.648 -10.155 1.00 0.00 C ATOM 550 O MET A 37 12.378 -3.794 -9.221 1.00 0.00 O ATOM 551 CB MET A 37 12.387 -3.171 -12.521 1.00 0.00 C ATOM 552 CG MET A 37 13.746 -2.581 -12.128 1.00 0.00 C ATOM 553 SD MET A 37 14.366 -1.264 -13.208 1.00 0.00 S ATOM 554 CE MET A 37 13.141 0.033 -12.914 1.00 0.00 C ATOM 0 H MET A 37 10.502 -4.660 -13.000 1.00 0.00 H new ATOM 0 HA MET A 37 12.750 -4.943 -11.382 1.00 0.00 H new ATOM 0 HB2 MET A 37 12.453 -3.604 -13.519 1.00 0.00 H new ATOM 0 HB3 MET A 37 11.644 -2.375 -12.567 1.00 0.00 H new ATOM 0 HG2 MET A 37 13.673 -2.191 -11.113 1.00 0.00 H new ATOM 0 HG3 MET A 37 14.480 -3.386 -12.108 1.00 0.00 H new ATOM 0 HE1 MET A 37 13.489 0.968 -13.352 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.193 -0.251 -13.371 1.00 0.00 H new ATOM 0 HE3 MET A 37 13.001 0.165 -11.841 1.00 0.00 H new ATOM 564 N ILE A 38 10.445 -2.968 -10.022 1.00 0.00 N ATOM 565 CA ILE A 38 10.068 -2.375 -8.740 1.00 0.00 C ATOM 566 C ILE A 38 9.520 -3.406 -7.745 1.00 0.00 C ATOM 567 O ILE A 38 9.628 -3.176 -6.544 1.00 0.00 O ATOM 568 CB ILE A 38 9.150 -1.148 -8.890 1.00 0.00 C ATOM 569 CG1 ILE A 38 7.764 -1.525 -9.427 1.00 0.00 C ATOM 570 CG2 ILE A 38 9.826 -0.093 -9.774 1.00 0.00 C ATOM 571 CD1 ILE A 38 6.790 -0.346 -9.455 1.00 0.00 C ATOM 0 H ILE A 38 9.774 -2.818 -10.776 1.00 0.00 H new ATOM 0 HA ILE A 38 10.995 -2.001 -8.306 1.00 0.00 H new ATOM 0 HB ILE A 38 8.991 -0.724 -7.899 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.868 -1.926 -10.435 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.345 -2.320 -8.809 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.170 0.772 -9.875 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.766 0.216 -9.317 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.023 -0.516 -10.759 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.828 -0.678 -9.845 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.658 0.041 -8.445 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.189 0.440 -10.096 1.00 0.00 H new ATOM 583 N ALA A 39 8.935 -4.525 -8.200 1.00 0.00 N ATOM 584 CA ALA A 39 8.384 -5.572 -7.334 1.00 0.00 C ATOM 585 C ALA A 39 9.172 -5.827 -6.032 1.00 0.00 C ATOM 586 O ALA A 39 8.577 -5.703 -4.964 1.00 0.00 O ATOM 587 CB ALA A 39 8.129 -6.862 -8.118 1.00 0.00 C ATOM 0 H ALA A 39 8.831 -4.728 -9.194 1.00 0.00 H new ATOM 0 HA ALA A 39 7.427 -5.181 -6.990 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.721 -7.620 -7.449 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.418 -6.665 -8.921 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.066 -7.221 -8.543 1.00 0.00 H new ATOM 593 N PRO A 40 10.477 -6.158 -6.055 1.00 0.00 N ATOM 594 CA PRO A 40 11.242 -6.371 -4.831 1.00 0.00 C ATOM 595 C PRO A 40 11.245 -5.129 -3.932 1.00 0.00 C ATOM 596 O PRO A 40 11.166 -5.250 -2.711 1.00 0.00 O ATOM 597 CB PRO A 40 12.656 -6.763 -5.274 1.00 0.00 C ATOM 598 CG PRO A 40 12.762 -6.194 -6.688 1.00 0.00 C ATOM 599 CD PRO A 40 11.337 -6.342 -7.212 1.00 0.00 C ATOM 0 HA PRO A 40 10.793 -7.157 -4.223 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.414 -6.341 -4.614 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.793 -7.844 -5.266 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.086 -5.153 -6.683 1.00 0.00 H new ATOM 0 HG3 PRO A 40 13.477 -6.748 -7.296 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.123 -5.601 -7.982 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.184 -7.323 -7.663 1.00 0.00 H new ATOM 607 N ILE A 41 11.288 -3.928 -4.519 1.00 0.00 N ATOM 608 CA ILE A 41 11.228 -2.695 -3.748 1.00 0.00 C ATOM 609 C ILE A 41 9.852 -2.639 -3.084 1.00 0.00 C ATOM 610 O ILE A 41 9.762 -2.436 -1.880 1.00 0.00 O ATOM 611 CB ILE A 41 11.503 -1.442 -4.609 1.00 0.00 C ATOM 612 CG1 ILE A 41 12.752 -1.603 -5.498 1.00 0.00 C ATOM 613 CG2 ILE A 41 11.681 -0.233 -3.679 1.00 0.00 C ATOM 614 CD1 ILE A 41 12.947 -0.411 -6.442 1.00 0.00 C ATOM 0 H ILE A 41 11.364 -3.790 -5.527 1.00 0.00 H new ATOM 0 HA ILE A 41 12.015 -2.696 -2.994 1.00 0.00 H new ATOM 0 HB ILE A 41 10.653 -1.296 -5.275 1.00 0.00 H new ATOM 0 HG12 ILE A 41 13.634 -1.713 -4.867 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.664 -2.518 -6.084 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.876 0.659 -4.275 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.773 -0.087 -3.094 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.521 -0.411 -3.007 1.00 0.00 H new ATOM 0 HD11 ILE A 41 13.839 -0.569 -7.048 1.00 0.00 H new ATOM 0 HD12 ILE A 41 12.078 -0.316 -7.093 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.063 0.501 -5.857 1.00 0.00 H new ATOM 626 N LEU A 42 8.779 -2.854 -3.852 1.00 0.00 N ATOM 627 CA LEU A 42 7.419 -2.873 -3.322 1.00 0.00 C ATOM 628 C LEU A 42 7.306 -3.888 -2.177 1.00 0.00 C ATOM 629 O LEU A 42 6.706 -3.595 -1.146 1.00 0.00 O ATOM 630 CB LEU A 42 6.397 -3.159 -4.436 1.00 0.00 C ATOM 631 CG LEU A 42 6.310 -2.071 -5.520 1.00 0.00 C ATOM 632 CD1 LEU A 42 5.346 -2.540 -6.615 1.00 0.00 C ATOM 633 CD2 LEU A 42 5.796 -0.736 -4.965 1.00 0.00 C ATOM 0 H LEU A 42 8.833 -3.019 -4.857 1.00 0.00 H new ATOM 0 HA LEU A 42 7.190 -1.886 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.652 -4.107 -4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.413 -3.283 -3.985 1.00 0.00 H new ATOM 0 HG LEU A 42 7.315 -1.912 -5.910 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.276 -1.776 -7.390 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.715 -3.468 -7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.360 -2.710 -6.183 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.752 -0.001 -5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.799 -0.876 -4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.471 -0.382 -4.185 1.00 0.00 H new ATOM 645 N ASP A 43 7.901 -5.075 -2.335 1.00 0.00 N ATOM 646 CA ASP A 43 7.912 -6.095 -1.292 1.00 0.00 C ATOM 647 C ASP A 43 8.598 -5.542 -0.045 1.00 0.00 C ATOM 648 O ASP A 43 8.070 -5.646 1.061 1.00 0.00 O ATOM 649 CB ASP A 43 8.621 -7.365 -1.778 1.00 0.00 C ATOM 650 CG ASP A 43 7.816 -8.140 -2.817 1.00 0.00 C ATOM 651 OD1 ASP A 43 6.629 -8.405 -2.533 1.00 0.00 O ATOM 652 OD2 ASP A 43 8.406 -8.483 -3.865 1.00 0.00 O ATOM 0 H ASP A 43 8.386 -5.351 -3.189 1.00 0.00 H new ATOM 0 HA ASP A 43 6.883 -6.360 -1.047 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.587 -7.094 -2.204 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.819 -8.013 -0.924 1.00 0.00 H new ATOM 657 N GLU A 44 9.776 -4.939 -0.218 1.00 0.00 N ATOM 658 CA GLU A 44 10.515 -4.346 0.884 1.00 0.00 C ATOM 659 C GLU A 44 9.639 -3.299 1.590 1.00 0.00 C ATOM 660 O GLU A 44 9.479 -3.344 2.809 1.00 0.00 O ATOM 661 CB GLU A 44 11.834 -3.769 0.357 1.00 0.00 C ATOM 662 CG GLU A 44 12.842 -3.547 1.491 1.00 0.00 C ATOM 663 CD GLU A 44 14.178 -3.018 0.977 1.00 0.00 C ATOM 664 OE1 GLU A 44 14.190 -2.466 -0.145 1.00 0.00 O ATOM 665 OE2 GLU A 44 15.169 -3.165 1.724 1.00 0.00 O ATOM 0 H GLU A 44 10.237 -4.851 -1.123 1.00 0.00 H new ATOM 0 HA GLU A 44 10.768 -5.100 1.630 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.260 -4.447 -0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.642 -2.824 -0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.427 -2.842 2.212 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.004 -4.486 2.020 1.00 0.00 H new ATOM 672 N ILE A 45 9.037 -2.389 0.821 1.00 0.00 N ATOM 673 CA ILE A 45 8.129 -1.367 1.327 1.00 0.00 C ATOM 674 C ILE A 45 7.005 -2.025 2.133 1.00 0.00 C ATOM 675 O ILE A 45 6.695 -1.568 3.230 1.00 0.00 O ATOM 676 CB ILE A 45 7.578 -0.515 0.169 1.00 0.00 C ATOM 677 CG1 ILE A 45 8.656 0.349 -0.509 1.00 0.00 C ATOM 678 CG2 ILE A 45 6.388 0.358 0.594 1.00 0.00 C ATOM 679 CD1 ILE A 45 9.243 1.470 0.351 1.00 0.00 C ATOM 0 H ILE A 45 9.172 -2.344 -0.189 1.00 0.00 H new ATOM 0 HA ILE A 45 8.673 -0.697 1.992 1.00 0.00 H new ATOM 0 HB ILE A 45 7.223 -1.236 -0.567 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.469 -0.302 -0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.228 0.792 -1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.039 0.938 -0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.580 -0.279 0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.699 1.035 1.389 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.992 2.015 -0.224 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.448 2.153 0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.708 1.042 1.239 1.00 0.00 H new ATOM 691 N ALA A 46 6.402 -3.095 1.604 1.00 0.00 N ATOM 692 CA ALA A 46 5.330 -3.817 2.280 1.00 0.00 C ATOM 693 C ALA A 46 5.751 -4.260 3.681 1.00 0.00 C ATOM 694 O ALA A 46 4.914 -4.319 4.580 1.00 0.00 O ATOM 695 CB ALA A 46 4.854 -5.001 1.434 1.00 0.00 C ATOM 0 H ALA A 46 6.647 -3.482 0.693 1.00 0.00 H new ATOM 0 HA ALA A 46 4.489 -3.134 2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.054 -5.525 1.958 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.483 -4.638 0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.686 -5.685 1.265 1.00 0.00 H new ATOM 701 N ASP A 47 7.040 -4.548 3.880 1.00 0.00 N ATOM 702 CA ASP A 47 7.567 -4.902 5.185 1.00 0.00 C ATOM 703 C ASP A 47 7.843 -3.630 5.993 1.00 0.00 C ATOM 704 O ASP A 47 7.281 -3.441 7.069 1.00 0.00 O ATOM 705 CB ASP A 47 8.824 -5.764 5.026 1.00 0.00 C ATOM 706 CG ASP A 47 9.311 -6.244 6.386 1.00 0.00 C ATOM 707 OD1 ASP A 47 8.700 -7.212 6.889 1.00 0.00 O ATOM 708 OD2 ASP A 47 10.272 -5.632 6.898 1.00 0.00 O ATOM 0 H ASP A 47 7.740 -4.540 3.138 1.00 0.00 H new ATOM 0 HA ASP A 47 6.832 -5.492 5.733 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.608 -6.620 4.387 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.608 -5.189 4.534 1.00 0.00 H new ATOM 713 N GLU A 48 8.702 -2.751 5.467 1.00 0.00 N ATOM 714 CA GLU A 48 9.110 -1.506 6.106 1.00 0.00 C ATOM 715 C GLU A 48 7.929 -0.681 6.633 1.00 0.00 C ATOM 716 O GLU A 48 7.988 -0.153 7.741 1.00 0.00 O ATOM 717 CB GLU A 48 9.938 -0.680 5.115 1.00 0.00 C ATOM 718 CG GLU A 48 11.315 -1.284 4.813 1.00 0.00 C ATOM 719 CD GLU A 48 12.060 -0.456 3.768 1.00 0.00 C ATOM 720 OE1 GLU A 48 11.548 -0.381 2.629 1.00 0.00 O ATOM 721 OE2 GLU A 48 13.125 0.098 4.121 1.00 0.00 O ATOM 0 H GLU A 48 9.143 -2.895 4.558 1.00 0.00 H new ATOM 0 HA GLU A 48 9.709 -1.768 6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.381 -0.581 4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.071 0.325 5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.903 -1.333 5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.197 -2.307 4.455 1.00 0.00 H new ATOM 728 N TYR A 49 6.873 -0.553 5.830 1.00 0.00 N ATOM 729 CA TYR A 49 5.677 0.217 6.155 1.00 0.00 C ATOM 730 C TYR A 49 4.511 -0.707 6.521 1.00 0.00 C ATOM 731 O TYR A 49 3.352 -0.299 6.413 1.00 0.00 O ATOM 732 CB TYR A 49 5.303 1.127 4.971 1.00 0.00 C ATOM 733 CG TYR A 49 6.292 2.226 4.618 1.00 0.00 C ATOM 734 CD1 TYR A 49 7.506 1.901 3.992 1.00 0.00 C ATOM 735 CD2 TYR A 49 5.941 3.581 4.786 1.00 0.00 C ATOM 736 CE1 TYR A 49 8.393 2.915 3.599 1.00 0.00 C ATOM 737 CE2 TYR A 49 6.789 4.598 4.306 1.00 0.00 C ATOM 738 CZ TYR A 49 8.022 4.264 3.722 1.00 0.00 C ATOM 739 OH TYR A 49 8.854 5.225 3.234 1.00 0.00 O ATOM 0 H TYR A 49 6.827 -0.994 4.912 1.00 0.00 H new ATOM 0 HA TYR A 49 5.890 0.840 7.024 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.162 0.500 4.091 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.341 1.591 5.189 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.758 0.866 3.812 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.019 3.840 5.285 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.363 2.657 3.201 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.492 5.633 4.387 1.00 0.00 H new ATOM 0 HH TYR A 49 8.349 5.830 2.651 1.00 0.00 H new ATOM 749 N GLN A 50 4.773 -1.945 6.959 1.00 0.00 N ATOM 750 CA GLN A 50 3.705 -2.861 7.318 1.00 0.00 C ATOM 751 C GLN A 50 2.796 -2.220 8.370 1.00 0.00 C ATOM 752 O GLN A 50 3.274 -1.669 9.359 1.00 0.00 O ATOM 753 CB GLN A 50 4.316 -4.181 7.811 1.00 0.00 C ATOM 754 CG GLN A 50 3.278 -5.245 8.179 1.00 0.00 C ATOM 755 CD GLN A 50 2.297 -5.615 7.062 1.00 0.00 C ATOM 756 OE1 GLN A 50 1.176 -6.020 7.345 1.00 0.00 O ATOM 757 NE2 GLN A 50 2.672 -5.472 5.794 1.00 0.00 N ATOM 0 H GLN A 50 5.713 -2.325 7.070 1.00 0.00 H new ATOM 0 HA GLN A 50 3.087 -3.079 6.447 1.00 0.00 H new ATOM 0 HB2 GLN A 50 4.971 -4.579 7.036 1.00 0.00 H new ATOM 0 HB3 GLN A 50 4.939 -3.979 8.682 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.802 -6.147 8.493 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.708 -4.892 9.038 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.609 -5.134 5.574 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.023 -5.701 5.041 1.00 0.00 H new ATOM 766 N GLY A 51 1.482 -2.251 8.134 1.00 0.00 N ATOM 767 CA GLY A 51 0.505 -1.652 9.034 1.00 0.00 C ATOM 768 C GLY A 51 0.299 -0.155 8.779 1.00 0.00 C ATOM 769 O GLY A 51 -0.725 0.387 9.184 1.00 0.00 O ATOM 0 H GLY A 51 1.070 -2.693 7.312 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.448 -2.169 8.923 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.830 -1.799 10.064 1.00 0.00 H new ATOM 773 N LYS A 52 1.239 0.515 8.101 1.00 0.00 N ATOM 774 CA LYS A 52 1.150 1.936 7.787 1.00 0.00 C ATOM 775 C LYS A 52 0.667 2.107 6.346 1.00 0.00 C ATOM 776 O LYS A 52 -0.201 2.933 6.073 1.00 0.00 O ATOM 777 CB LYS A 52 2.523 2.602 7.958 1.00 0.00 C ATOM 778 CG LYS A 52 3.056 2.487 9.394 1.00 0.00 C ATOM 779 CD LYS A 52 4.490 3.021 9.518 1.00 0.00 C ATOM 780 CE LYS A 52 4.611 4.500 9.130 1.00 0.00 C ATOM 781 NZ LYS A 52 5.966 5.012 9.398 1.00 0.00 N ATOM 0 H LYS A 52 2.091 0.075 7.753 1.00 0.00 H new ATOM 0 HA LYS A 52 0.443 2.410 8.468 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.234 2.143 7.272 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.450 3.654 7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.403 3.041 10.069 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.029 1.444 9.709 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.834 2.890 10.544 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.149 2.429 8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.376 4.622 8.073 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.881 5.086 9.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.018 6.014 9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.179 4.917 10.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.659 4.467 8.846 1.00 0.00 H new ATOM 795 N LEU A 53 1.244 1.328 5.429 1.00 0.00 N ATOM 796 CA LEU A 53 0.937 1.356 4.012 1.00 0.00 C ATOM 797 C LEU A 53 0.711 -0.074 3.534 1.00 0.00 C ATOM 798 O LEU A 53 1.632 -0.889 3.551 1.00 0.00 O ATOM 799 CB LEU A 53 2.126 1.975 3.271 1.00 0.00 C ATOM 800 CG LEU A 53 1.859 2.185 1.774 1.00 0.00 C ATOM 801 CD1 LEU A 53 1.059 3.469 1.549 1.00 0.00 C ATOM 802 CD2 LEU A 53 3.203 2.286 1.053 1.00 0.00 C ATOM 0 H LEU A 53 1.959 0.641 5.668 1.00 0.00 H new ATOM 0 HA LEU A 53 0.041 1.946 3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.372 2.933 3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.997 1.331 3.392 1.00 0.00 H new ATOM 0 HG LEU A 53 1.281 1.347 1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.878 3.603 0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.106 3.400 2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.622 4.320 1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.034 2.436 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.768 3.128 1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.768 1.366 1.205 1.00 0.00 H new ATOM 814 N THR A 54 -0.500 -0.376 3.076 1.00 0.00 N ATOM 815 CA THR A 54 -0.825 -1.684 2.537 1.00 0.00 C ATOM 816 C THR A 54 -0.475 -1.668 1.044 1.00 0.00 C ATOM 817 O THR A 54 -1.129 -1.002 0.246 1.00 0.00 O ATOM 818 CB THR A 54 -2.300 -1.967 2.837 1.00 0.00 C ATOM 819 OG1 THR A 54 -2.458 -2.087 4.235 1.00 0.00 O ATOM 820 CG2 THR A 54 -2.814 -3.246 2.173 1.00 0.00 C ATOM 0 H THR A 54 -1.280 0.281 3.070 1.00 0.00 H new ATOM 0 HA THR A 54 -0.255 -2.495 2.990 1.00 0.00 H new ATOM 0 HB THR A 54 -2.880 -1.138 2.431 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.398 -2.267 4.444 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.865 -3.390 2.425 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.708 -3.162 1.091 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.236 -4.099 2.529 1.00 0.00 H new ATOM 828 N VAL A 55 0.578 -2.381 0.649 1.00 0.00 N ATOM 829 CA VAL A 55 1.003 -2.412 -0.742 1.00 0.00 C ATOM 830 C VAL A 55 0.096 -3.376 -1.506 1.00 0.00 C ATOM 831 O VAL A 55 -0.266 -4.432 -0.989 1.00 0.00 O ATOM 832 CB VAL A 55 2.476 -2.840 -0.819 1.00 0.00 C ATOM 833 CG1 VAL A 55 3.001 -2.814 -2.259 1.00 0.00 C ATOM 834 CG2 VAL A 55 3.368 -1.913 0.011 1.00 0.00 C ATOM 0 H VAL A 55 1.151 -2.945 1.277 1.00 0.00 H new ATOM 0 HA VAL A 55 0.921 -1.424 -1.194 1.00 0.00 H new ATOM 0 HB VAL A 55 2.514 -3.857 -0.427 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.046 -3.123 -2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.414 -3.497 -2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.917 -1.803 -2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.404 -2.242 -0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.283 -0.894 -0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.053 -1.942 1.054 1.00 0.00 H new ATOM 844 N ALA A 56 -0.275 -3.024 -2.736 1.00 0.00 N ATOM 845 CA ALA A 56 -1.117 -3.837 -3.591 1.00 0.00 C ATOM 846 C ALA A 56 -0.567 -3.829 -5.016 1.00 0.00 C ATOM 847 O ALA A 56 0.037 -2.845 -5.441 1.00 0.00 O ATOM 848 CB ALA A 56 -2.558 -3.327 -3.524 1.00 0.00 C ATOM 0 H ALA A 56 0.011 -2.146 -3.169 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.116 -4.871 -3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.191 -3.939 -4.167 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.918 -3.388 -2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.593 -2.291 -3.860 1.00 0.00 H new ATOM 854 N LYS A 57 -0.766 -4.923 -5.753 1.00 0.00 N ATOM 855 CA LYS A 57 -0.325 -5.096 -7.132 1.00 0.00 C ATOM 856 C LYS A 57 -1.523 -5.601 -7.933 1.00 0.00 C ATOM 857 O LYS A 57 -1.866 -6.779 -7.856 1.00 0.00 O ATOM 858 CB LYS A 57 0.870 -6.062 -7.187 1.00 0.00 C ATOM 859 CG LYS A 57 2.181 -5.362 -6.810 1.00 0.00 C ATOM 860 CD LYS A 57 3.332 -6.370 -6.644 1.00 0.00 C ATOM 861 CE LYS A 57 4.013 -6.801 -7.943 1.00 0.00 C ATOM 862 NZ LYS A 57 4.603 -5.669 -8.682 1.00 0.00 N ATOM 0 H LYS A 57 -1.257 -5.740 -5.390 1.00 0.00 H new ATOM 0 HA LYS A 57 0.021 -4.157 -7.563 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.695 -6.897 -6.509 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.955 -6.479 -8.190 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.441 -4.635 -7.580 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.045 -4.808 -5.881 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.084 -5.934 -5.986 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.946 -7.258 -6.143 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.794 -7.527 -7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.286 -7.305 -8.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.036 -6.016 -9.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.860 -4.979 -8.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.330 -5.213 -8.095 1.00 0.00 H new ATOM 876 N LEU A 58 -2.152 -4.731 -8.726 1.00 0.00 N ATOM 877 CA LEU A 58 -3.343 -5.074 -9.493 1.00 0.00 C ATOM 878 C LEU A 58 -2.956 -5.403 -10.929 1.00 0.00 C ATOM 879 O LEU A 58 -2.389 -4.573 -11.635 1.00 0.00 O ATOM 880 CB LEU A 58 -4.344 -3.918 -9.413 1.00 0.00 C ATOM 881 CG LEU A 58 -5.682 -4.242 -10.106 1.00 0.00 C ATOM 882 CD1 LEU A 58 -6.807 -3.539 -9.351 1.00 0.00 C ATOM 883 CD2 LEU A 58 -5.719 -3.771 -11.565 1.00 0.00 C ATOM 0 H LEU A 58 -1.846 -3.766 -8.852 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.821 -5.960 -9.076 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.531 -3.676 -8.367 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.907 -3.031 -9.872 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.801 -5.326 -10.098 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.761 -3.760 -9.831 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.829 -3.892 -8.320 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.636 -2.463 -9.362 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.684 -4.025 -12.005 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.576 -2.691 -11.602 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.924 -4.262 -12.126 1.00 0.00 H new ATOM 895 N ASN A 59 -3.253 -6.634 -11.353 1.00 0.00 N ATOM 896 CA ASN A 59 -2.931 -7.098 -12.691 1.00 0.00 C ATOM 897 C ASN A 59 -3.984 -6.608 -13.688 1.00 0.00 C ATOM 898 O ASN A 59 -5.107 -7.117 -13.698 1.00 0.00 O ATOM 899 CB ASN A 59 -2.831 -8.620 -12.707 1.00 0.00 C ATOM 900 CG ASN A 59 -2.354 -9.051 -14.083 1.00 0.00 C ATOM 901 OD1 ASN A 59 -3.134 -9.091 -15.029 1.00 0.00 O ATOM 902 ND2 ASN A 59 -1.066 -9.327 -14.225 1.00 0.00 N ATOM 0 H ASN A 59 -3.723 -7.331 -10.774 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.966 -6.688 -12.988 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.137 -8.963 -11.940 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.800 -9.067 -12.484 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.697 -9.582 -15.141 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.443 -9.285 -13.418 1.00 0.00 H new ATOM 909 N ILE A 60 -3.629 -5.626 -14.518 1.00 0.00 N ATOM 910 CA ILE A 60 -4.532 -5.020 -15.488 1.00 0.00 C ATOM 911 C ILE A 60 -4.926 -5.975 -16.615 1.00 0.00 C ATOM 912 O ILE A 60 -6.041 -5.879 -17.116 1.00 0.00 O ATOM 913 CB ILE A 60 -3.963 -3.696 -16.029 1.00 0.00 C ATOM 914 CG1 ILE A 60 -2.730 -3.881 -16.930 1.00 0.00 C ATOM 915 CG2 ILE A 60 -3.628 -2.760 -14.864 1.00 0.00 C ATOM 916 CD1 ILE A 60 -3.084 -3.832 -18.419 1.00 0.00 C ATOM 0 H ILE A 60 -2.691 -5.226 -14.533 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.455 -4.792 -14.954 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.738 -3.256 -16.656 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.000 -3.103 -16.707 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.257 -4.836 -16.703 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.226 -1.825 -15.253 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.532 -2.556 -14.290 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.888 -3.233 -14.219 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.180 -3.967 -19.013 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.793 -4.627 -18.651 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.532 -2.867 -18.655 1.00 0.00 H new ATOM 928 N ASP A 61 -4.048 -6.896 -17.026 1.00 0.00 N ATOM 929 CA ASP A 61 -4.390 -7.832 -18.096 1.00 0.00 C ATOM 930 C ASP A 61 -5.604 -8.659 -17.670 1.00 0.00 C ATOM 931 O ASP A 61 -6.532 -8.860 -18.448 1.00 0.00 O ATOM 932 CB ASP A 61 -3.216 -8.761 -18.446 1.00 0.00 C ATOM 933 CG ASP A 61 -2.035 -8.085 -19.140 1.00 0.00 C ATOM 934 OD1 ASP A 61 -2.165 -6.909 -19.547 1.00 0.00 O ATOM 935 OD2 ASP A 61 -0.997 -8.769 -19.271 1.00 0.00 O ATOM 0 H ASP A 61 -3.111 -7.011 -16.640 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.623 -7.255 -18.991 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.858 -9.229 -17.529 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.585 -9.560 -19.089 1.00 0.00 H new ATOM 940 N GLN A 62 -5.589 -9.137 -16.425 1.00 0.00 N ATOM 941 CA GLN A 62 -6.682 -9.906 -15.853 1.00 0.00 C ATOM 942 C GLN A 62 -7.838 -8.988 -15.449 1.00 0.00 C ATOM 943 O GLN A 62 -8.997 -9.384 -15.546 1.00 0.00 O ATOM 944 CB GLN A 62 -6.173 -10.719 -14.655 1.00 0.00 C ATOM 945 CG GLN A 62 -5.115 -11.760 -15.049 1.00 0.00 C ATOM 946 CD GLN A 62 -5.687 -12.894 -15.894 1.00 0.00 C ATOM 947 OE1 GLN A 62 -6.097 -13.922 -15.365 1.00 0.00 O ATOM 948 NE2 GLN A 62 -5.715 -12.731 -17.213 1.00 0.00 N ATOM 0 H GLN A 62 -4.808 -8.997 -15.784 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.061 -10.598 -16.605 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.750 -10.040 -13.914 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.014 -11.224 -14.181 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.316 -11.267 -15.603 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.667 -12.176 -14.146 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.368 -11.866 -17.627 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.084 -13.471 -17.811 1.00 0.00 H new ATOM 957 N ASN A 63 -7.531 -7.774 -14.977 1.00 0.00 N ATOM 958 CA ASN A 63 -8.518 -6.803 -14.506 1.00 0.00 C ATOM 959 C ASN A 63 -8.483 -5.524 -15.348 1.00 0.00 C ATOM 960 O ASN A 63 -8.108 -4.468 -14.840 1.00 0.00 O ATOM 961 CB ASN A 63 -8.248 -6.484 -13.028 1.00 0.00 C ATOM 962 CG ASN A 63 -8.232 -7.731 -12.163 1.00 0.00 C ATOM 963 OD1 ASN A 63 -9.269 -8.148 -11.651 1.00 0.00 O ATOM 964 ND2 ASN A 63 -7.057 -8.333 -11.996 1.00 0.00 N ATOM 0 H ASN A 63 -6.571 -7.435 -14.912 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.514 -7.235 -14.609 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.291 -5.970 -12.939 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.013 -5.800 -12.661 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.992 -9.175 -11.424 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.221 -7.952 -12.440 1.00 0.00 H new ATOM 971 N PRO A 64 -8.882 -5.577 -16.629 1.00 0.00 N ATOM 972 CA PRO A 64 -8.856 -4.410 -17.497 1.00 0.00 C ATOM 973 C PRO A 64 -9.817 -3.334 -16.995 1.00 0.00 C ATOM 974 O PRO A 64 -9.484 -2.153 -17.025 1.00 0.00 O ATOM 975 CB PRO A 64 -9.221 -4.923 -18.893 1.00 0.00 C ATOM 976 CG PRO A 64 -10.021 -6.197 -18.620 1.00 0.00 C ATOM 977 CD PRO A 64 -9.367 -6.743 -17.351 1.00 0.00 C ATOM 0 HA PRO A 64 -7.877 -3.931 -17.512 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -9.811 -4.192 -19.446 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.331 -5.130 -19.488 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.080 -5.985 -18.470 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.951 -6.903 -19.447 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.083 -7.305 -16.752 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.550 -7.423 -17.592 1.00 0.00 H new ATOM 985 N GLY A 65 -11.000 -3.747 -16.528 1.00 0.00 N ATOM 986 CA GLY A 65 -12.057 -2.876 -16.027 1.00 0.00 C ATOM 987 C GLY A 65 -11.572 -1.759 -15.104 1.00 0.00 C ATOM 988 O GLY A 65 -12.133 -0.665 -15.121 1.00 0.00 O ATOM 0 H GLY A 65 -11.252 -4.735 -16.489 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.576 -2.430 -16.876 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.787 -3.483 -15.491 1.00 0.00 H new ATOM 992 N THR A 66 -10.553 -2.013 -14.280 1.00 0.00 N ATOM 993 CA THR A 66 -10.043 -1.032 -13.338 1.00 0.00 C ATOM 994 C THR A 66 -9.238 0.087 -14.015 1.00 0.00 C ATOM 995 O THR A 66 -9.128 1.183 -13.466 1.00 0.00 O ATOM 996 CB THR A 66 -9.212 -1.761 -12.274 1.00 0.00 C ATOM 997 OG1 THR A 66 -9.741 -3.053 -12.051 1.00 0.00 O ATOM 998 CG2 THR A 66 -9.232 -0.993 -10.950 1.00 0.00 C ATOM 0 H THR A 66 -10.063 -2.907 -14.252 1.00 0.00 H new ATOM 0 HA THR A 66 -10.890 -0.532 -12.869 1.00 0.00 H new ATOM 0 HB THR A 66 -8.187 -1.831 -12.637 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.718 -3.001 -11.990 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.637 -1.528 -10.210 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.815 0.003 -11.101 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.259 -0.906 -10.595 1.00 0.00 H new ATOM 1006 N ALA A 67 -8.665 -0.165 -15.196 1.00 0.00 N ATOM 1007 CA ALA A 67 -7.856 0.819 -15.906 1.00 0.00 C ATOM 1008 C ALA A 67 -8.612 2.123 -16.224 1.00 0.00 C ATOM 1009 O ALA A 67 -8.147 3.187 -15.813 1.00 0.00 O ATOM 1010 CB ALA A 67 -7.191 0.191 -17.135 1.00 0.00 C ATOM 0 H ALA A 67 -8.751 -1.057 -15.683 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.061 1.129 -15.228 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.593 0.943 -17.649 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.548 -0.631 -16.821 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.958 -0.186 -17.811 1.00 0.00 H new ATOM 1016 N PRO A 68 -9.751 2.097 -16.943 1.00 0.00 N ATOM 1017 CA PRO A 68 -10.489 3.307 -17.272 1.00 0.00 C ATOM 1018 C PRO A 68 -11.015 4.027 -16.028 1.00 0.00 C ATOM 1019 O PRO A 68 -11.034 5.255 -16.021 1.00 0.00 O ATOM 1020 CB PRO A 68 -11.626 2.880 -18.205 1.00 0.00 C ATOM 1021 CG PRO A 68 -11.843 1.413 -17.845 1.00 0.00 C ATOM 1022 CD PRO A 68 -10.426 0.945 -17.522 1.00 0.00 C ATOM 0 HA PRO A 68 -9.835 4.031 -17.758 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.526 3.472 -18.040 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -11.353 3.001 -19.253 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.513 1.298 -16.993 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -12.278 0.851 -18.672 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.440 0.108 -16.824 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.913 0.602 -18.420 1.00 0.00 H new ATOM 1030 N LYS A 69 -11.430 3.296 -14.983 1.00 0.00 N ATOM 1031 CA LYS A 69 -11.961 3.892 -13.754 1.00 0.00 C ATOM 1032 C LYS A 69 -11.081 5.035 -13.243 1.00 0.00 C ATOM 1033 O LYS A 69 -11.594 6.084 -12.861 1.00 0.00 O ATOM 1034 CB LYS A 69 -12.140 2.835 -12.659 1.00 0.00 C ATOM 1035 CG LYS A 69 -13.270 1.854 -12.989 1.00 0.00 C ATOM 1036 CD LYS A 69 -13.539 0.931 -11.793 1.00 0.00 C ATOM 1037 CE LYS A 69 -14.648 -0.081 -12.107 1.00 0.00 C ATOM 1038 NZ LYS A 69 -14.213 -1.083 -13.096 1.00 0.00 N ATOM 0 H LYS A 69 -11.406 2.276 -14.969 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.937 4.308 -14.004 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.208 2.285 -12.530 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.353 3.328 -11.710 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.176 2.404 -13.244 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.002 1.260 -13.863 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.624 0.401 -11.528 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.824 1.528 -10.927 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.951 -0.585 -11.189 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -15.524 0.446 -12.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.047 -1.525 -13.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.642 -0.620 -13.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.642 -1.812 -12.623 1.00 0.00 H new ATOM 1052 N TYR A 70 -9.763 4.826 -13.244 1.00 0.00 N ATOM 1053 CA TYR A 70 -8.791 5.829 -12.818 1.00 0.00 C ATOM 1054 C TYR A 70 -7.928 6.283 -14.000 1.00 0.00 C ATOM 1055 O TYR A 70 -6.808 6.749 -13.795 1.00 0.00 O ATOM 1056 CB TYR A 70 -7.955 5.263 -11.664 1.00 0.00 C ATOM 1057 CG TYR A 70 -8.800 4.714 -10.533 1.00 0.00 C ATOM 1058 CD1 TYR A 70 -9.433 5.603 -9.643 1.00 0.00 C ATOM 1059 CD2 TYR A 70 -9.114 3.344 -10.495 1.00 0.00 C ATOM 1060 CE1 TYR A 70 -10.399 5.125 -8.741 1.00 0.00 C ATOM 1061 CE2 TYR A 70 -10.101 2.872 -9.612 1.00 0.00 C ATOM 1062 CZ TYR A 70 -10.763 3.769 -8.757 1.00 0.00 C ATOM 1063 OH TYR A 70 -11.760 3.323 -7.944 1.00 0.00 O ATOM 0 H TYR A 70 -9.339 3.948 -13.543 1.00 0.00 H new ATOM 0 HA TYR A 70 -9.309 6.717 -12.455 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.309 4.472 -12.045 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -7.304 6.047 -11.276 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.176 6.652 -9.654 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.597 2.654 -11.145 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -10.861 5.800 -8.036 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.350 1.821 -9.591 1.00 0.00 H new ATOM 0 HH TYR A 70 -11.515 2.448 -7.576 1.00 0.00 H new ATOM 1073 N GLY A 71 -8.463 6.152 -15.222 1.00 0.00 N ATOM 1074 CA GLY A 71 -7.838 6.513 -16.488 1.00 0.00 C ATOM 1075 C GLY A 71 -6.338 6.231 -16.526 1.00 0.00 C ATOM 1076 O GLY A 71 -5.570 7.131 -16.864 1.00 0.00 O ATOM 0 H GLY A 71 -9.399 5.768 -15.353 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.324 5.964 -17.294 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.006 7.573 -16.678 1.00 0.00 H new ATOM 1080 N ILE A 72 -5.930 5.006 -16.165 1.00 0.00 N ATOM 1081 CA ILE A 72 -4.526 4.593 -16.104 1.00 0.00 C ATOM 1082 C ILE A 72 -3.763 5.062 -17.348 1.00 0.00 C ATOM 1083 O ILE A 72 -4.097 4.688 -18.471 1.00 0.00 O ATOM 1084 CB ILE A 72 -4.421 3.072 -15.858 1.00 0.00 C ATOM 1085 CG1 ILE A 72 -4.374 2.731 -14.360 1.00 0.00 C ATOM 1086 CG2 ILE A 72 -3.155 2.445 -16.463 1.00 0.00 C ATOM 1087 CD1 ILE A 72 -5.498 3.328 -13.518 1.00 0.00 C ATOM 0 H ILE A 72 -6.579 4.264 -15.903 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.045 5.079 -15.255 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.314 2.669 -16.337 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.397 1.647 -14.250 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.420 3.072 -13.957 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.143 1.375 -16.254 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.150 2.604 -17.541 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.273 2.910 -16.023 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.372 3.027 -12.478 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.467 4.415 -13.588 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.459 2.968 -13.886 1.00 0.00 H new ATOM 1099 N ARG A 73 -2.752 5.908 -17.134 1.00 0.00 N ATOM 1100 CA ARG A 73 -1.957 6.510 -18.192 1.00 0.00 C ATOM 1101 C ARG A 73 -0.898 5.536 -18.716 1.00 0.00 C ATOM 1102 O ARG A 73 -0.721 5.407 -19.924 1.00 0.00 O ATOM 1103 CB ARG A 73 -1.332 7.803 -17.654 1.00 0.00 C ATOM 1104 CG ARG A 73 -2.431 8.804 -17.254 1.00 0.00 C ATOM 1105 CD ARG A 73 -2.268 9.362 -15.835 1.00 0.00 C ATOM 1106 NE ARG A 73 -2.207 8.326 -14.790 1.00 0.00 N ATOM 1107 CZ ARG A 73 -3.258 7.847 -14.107 1.00 0.00 C ATOM 1108 NH1 ARG A 73 -4.500 7.977 -14.578 1.00 0.00 N ATOM 1109 NH2 ARG A 73 -3.065 7.223 -12.943 1.00 0.00 N ATOM 0 H ARG A 73 -2.462 6.195 -16.199 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.595 6.749 -19.043 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.704 7.579 -16.792 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.687 8.246 -18.413 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.432 9.632 -17.963 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.402 8.315 -17.334 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.358 9.961 -15.793 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.101 10.032 -15.621 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.289 7.940 -14.567 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.661 8.446 -15.469 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.288 7.607 -14.047 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.120 7.111 -12.575 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.862 6.858 -12.422 1.00 0.00 H new ATOM 1123 N GLY A 74 -0.187 4.851 -17.818 1.00 0.00 N ATOM 1124 CA GLY A 74 0.842 3.895 -18.191 1.00 0.00 C ATOM 1125 C GLY A 74 1.316 3.157 -16.946 1.00 0.00 C ATOM 1126 O GLY A 74 1.397 3.756 -15.874 1.00 0.00 O ATOM 0 H GLY A 74 -0.314 4.948 -16.811 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.450 3.187 -18.921 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.679 4.409 -18.664 1.00 0.00 H new ATOM 1130 N ILE A 75 1.605 1.861 -17.080 1.00 0.00 N ATOM 1131 CA ILE A 75 2.045 1.008 -15.982 1.00 0.00 C ATOM 1132 C ILE A 75 3.578 1.012 -15.883 1.00 0.00 C ATOM 1133 O ILE A 75 4.238 1.093 -16.920 1.00 0.00 O ATOM 1134 CB ILE A 75 1.454 -0.407 -16.132 1.00 0.00 C ATOM 1135 CG1 ILE A 75 1.869 -1.103 -17.441 1.00 0.00 C ATOM 1136 CG2 ILE A 75 -0.076 -0.344 -16.002 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.294 -2.517 -17.532 1.00 0.00 C ATOM 0 H ILE A 75 1.538 1.370 -17.971 1.00 0.00 H new ATOM 0 HA ILE A 75 1.670 1.405 -15.039 1.00 0.00 H new ATOM 0 HB ILE A 75 1.866 -1.017 -15.328 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.526 -0.514 -18.292 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.956 -1.147 -17.502 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.492 -1.346 -16.108 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.342 0.057 -15.024 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.481 0.302 -16.781 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.608 -2.978 -18.469 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.658 -3.113 -16.695 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.206 -2.470 -17.497 1.00 0.00 H new ATOM 1149 N PRO A 76 4.179 0.920 -14.682 1.00 0.00 N ATOM 1150 CA PRO A 76 3.539 0.818 -13.378 1.00 0.00 C ATOM 1151 C PRO A 76 2.884 2.139 -12.975 1.00 0.00 C ATOM 1152 O PRO A 76 3.526 3.189 -13.026 1.00 0.00 O ATOM 1153 CB PRO A 76 4.653 0.464 -12.390 1.00 0.00 C ATOM 1154 CG PRO A 76 5.910 1.030 -13.044 1.00 0.00 C ATOM 1155 CD PRO A 76 5.623 0.893 -14.538 1.00 0.00 C ATOM 0 HA PRO A 76 2.749 0.067 -13.393 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.476 0.909 -11.411 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.729 -0.613 -12.242 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.078 2.069 -12.761 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.800 0.473 -12.753 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.084 1.706 -15.098 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.035 -0.037 -14.929 1.00 0.00 H new ATOM 1163 N THR A 77 1.615 2.078 -12.565 1.00 0.00 N ATOM 1164 CA THR A 77 0.871 3.242 -12.109 1.00 0.00 C ATOM 1165 C THR A 77 0.674 3.005 -10.614 1.00 0.00 C ATOM 1166 O THR A 77 -0.031 2.063 -10.254 1.00 0.00 O ATOM 1167 CB THR A 77 -0.484 3.347 -12.835 1.00 0.00 C ATOM 1168 OG1 THR A 77 -0.424 2.761 -14.116 1.00 0.00 O ATOM 1169 CG2 THR A 77 -0.825 4.820 -13.066 1.00 0.00 C ATOM 0 H THR A 77 1.077 1.212 -12.542 1.00 0.00 H new ATOM 0 HA THR A 77 1.394 4.176 -12.314 1.00 0.00 H new ATOM 0 HB THR A 77 -1.222 2.841 -12.213 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.266 3.208 -14.648 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.783 4.895 -13.580 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.886 5.334 -12.107 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.049 5.282 -13.676 1.00 0.00 H new ATOM 1177 N LEU A 78 1.305 3.804 -9.751 1.00 0.00 N ATOM 1178 CA LEU A 78 1.238 3.633 -8.309 1.00 0.00 C ATOM 1179 C LEU A 78 0.200 4.615 -7.777 1.00 0.00 C ATOM 1180 O LEU A 78 0.521 5.779 -7.541 1.00 0.00 O ATOM 1181 CB LEU A 78 2.619 3.849 -7.665 1.00 0.00 C ATOM 1182 CG LEU A 78 3.799 3.208 -8.414 1.00 0.00 C ATOM 1183 CD1 LEU A 78 5.097 3.497 -7.655 1.00 0.00 C ATOM 1184 CD2 LEU A 78 3.621 1.693 -8.543 1.00 0.00 C ATOM 0 H LEU A 78 1.881 4.594 -10.042 1.00 0.00 H new ATOM 0 HA LEU A 78 0.942 2.615 -8.056 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.800 4.921 -7.584 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.595 3.452 -6.650 1.00 0.00 H new ATOM 0 HG LEU A 78 3.839 3.636 -9.416 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.936 3.044 -8.183 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.248 4.574 -7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.032 3.079 -6.651 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.472 1.271 -9.077 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.559 1.248 -7.550 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.705 1.480 -9.094 1.00 0.00 H new ATOM 1196 N LEU A 79 -1.042 4.154 -7.616 1.00 0.00 N ATOM 1197 CA LEU A 79 -2.139 4.973 -7.121 1.00 0.00 C ATOM 1198 C LEU A 79 -2.217 4.780 -5.610 1.00 0.00 C ATOM 1199 O LEU A 79 -2.502 3.678 -5.143 1.00 0.00 O ATOM 1200 CB LEU A 79 -3.465 4.582 -7.784 1.00 0.00 C ATOM 1201 CG LEU A 79 -3.643 5.072 -9.231 1.00 0.00 C ATOM 1202 CD1 LEU A 79 -2.664 4.416 -10.203 1.00 0.00 C ATOM 1203 CD2 LEU A 79 -5.080 4.815 -9.694 1.00 0.00 C ATOM 0 H LEU A 79 -1.312 3.194 -7.828 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.959 6.020 -7.363 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.552 3.496 -7.772 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.284 4.974 -7.181 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.431 6.141 -9.234 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.837 4.800 -11.208 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.642 4.642 -9.899 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.814 3.336 -10.197 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.200 5.164 -10.720 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.292 3.747 -9.647 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.773 5.351 -9.045 1.00 0.00 H new ATOM 1215 N LEU A 80 -1.961 5.843 -4.847 1.00 0.00 N ATOM 1216 CA LEU A 80 -1.993 5.813 -3.395 1.00 0.00 C ATOM 1217 C LEU A 80 -3.387 6.232 -2.933 1.00 0.00 C ATOM 1218 O LEU A 80 -3.731 7.406 -3.019 1.00 0.00 O ATOM 1219 CB LEU A 80 -0.866 6.712 -2.871 1.00 0.00 C ATOM 1220 CG LEU A 80 -0.694 6.729 -1.343 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -1.010 5.397 -0.657 1.00 0.00 C ATOM 1222 CD2 LEU A 80 0.765 7.079 -1.039 1.00 0.00 C ATOM 0 H LEU A 80 -1.723 6.758 -5.230 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.816 4.816 -2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.073 6.390 -3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.049 7.731 -3.211 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.404 7.459 -0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.863 5.498 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.045 5.121 -0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.347 4.623 -1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.917 7.099 0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.419 6.330 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.999 8.059 -1.456 1.00 0.00 H new ATOM 1234 N PHE A 81 -4.188 5.271 -2.467 1.00 0.00 N ATOM 1235 CA PHE A 81 -5.563 5.461 -2.023 1.00 0.00 C ATOM 1236 C PHE A 81 -5.662 5.499 -0.498 1.00 0.00 C ATOM 1237 O PHE A 81 -5.322 4.518 0.163 1.00 0.00 O ATOM 1238 CB PHE A 81 -6.418 4.283 -2.517 1.00 0.00 C ATOM 1239 CG PHE A 81 -6.809 4.330 -3.982 1.00 0.00 C ATOM 1240 CD1 PHE A 81 -5.952 3.781 -4.953 1.00 0.00 C ATOM 1241 CD2 PHE A 81 -8.100 4.750 -4.354 1.00 0.00 C ATOM 1242 CE1 PHE A 81 -6.386 3.657 -6.282 1.00 0.00 C ATOM 1243 CE2 PHE A 81 -8.524 4.648 -5.691 1.00 0.00 C ATOM 1244 CZ PHE A 81 -7.646 4.142 -6.663 1.00 0.00 C ATOM 0 H PHE A 81 -3.880 4.302 -2.387 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.914 6.410 -2.428 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.871 3.358 -2.334 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.327 4.240 -1.917 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.960 3.455 -4.676 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.769 5.153 -3.608 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.747 3.186 -7.015 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.521 4.958 -5.969 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.940 4.126 -7.702 1.00 0.00 H new ATOM 1254 N LYS A 82 -6.208 6.588 0.049 1.00 0.00 N ATOM 1255 CA LYS A 82 -6.540 6.728 1.461 1.00 0.00 C ATOM 1256 C LYS A 82 -8.063 6.607 1.529 1.00 0.00 C ATOM 1257 O LYS A 82 -8.766 7.543 1.160 1.00 0.00 O ATOM 1258 CB LYS A 82 -6.072 8.086 1.994 1.00 0.00 C ATOM 1259 CG LYS A 82 -4.546 8.161 2.099 1.00 0.00 C ATOM 1260 CD LYS A 82 -4.165 9.447 2.840 1.00 0.00 C ATOM 1261 CE LYS A 82 -2.647 9.598 2.952 1.00 0.00 C ATOM 1262 NZ LYS A 82 -2.295 10.775 3.765 1.00 0.00 N ATOM 0 H LYS A 82 -6.436 7.418 -0.498 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.048 5.972 2.074 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.430 8.878 1.336 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -6.513 8.263 2.975 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.161 7.291 2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -4.098 8.151 1.105 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.580 10.308 2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.606 9.439 3.837 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.220 8.701 3.400 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.213 9.695 1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.311 11.049 3.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.928 11.565 3.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.398 10.543 4.774 1.00 0.00 H new ATOM 1276 N ASN A 83 -8.575 5.449 1.954 1.00 0.00 N ATOM 1277 CA ASN A 83 -10.002 5.139 2.021 1.00 0.00 C ATOM 1278 C ASN A 83 -10.758 5.667 0.796 1.00 0.00 C ATOM 1279 O ASN A 83 -11.668 6.488 0.913 1.00 0.00 O ATOM 1280 CB ASN A 83 -10.591 5.599 3.359 1.00 0.00 C ATOM 1281 CG ASN A 83 -11.919 4.903 3.652 1.00 0.00 C ATOM 1282 OD1 ASN A 83 -11.984 4.015 4.496 1.00 0.00 O ATOM 1283 ND2 ASN A 83 -12.983 5.276 2.952 1.00 0.00 N ATOM 0 H ASN A 83 -7.987 4.678 2.271 1.00 0.00 H new ATOM 0 HA ASN A 83 -10.127 4.057 1.985 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -9.884 5.389 4.161 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -10.741 6.679 3.341 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -13.882 4.821 3.110 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -12.901 6.017 2.256 1.00 0.00 H new ATOM 1290 N GLY A 84 -10.351 5.213 -0.393 1.00 0.00 N ATOM 1291 CA GLY A 84 -10.966 5.605 -1.651 1.00 0.00 C ATOM 1292 C GLY A 84 -10.432 6.919 -2.218 1.00 0.00 C ATOM 1293 O GLY A 84 -10.475 7.118 -3.431 1.00 0.00 O ATOM 0 H GLY A 84 -9.578 4.557 -0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.808 4.814 -2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.043 5.694 -1.506 1.00 0.00 H new ATOM 1297 N GLU A 85 -9.908 7.813 -1.377 1.00 0.00 N ATOM 1298 CA GLU A 85 -9.397 9.093 -1.831 1.00 0.00 C ATOM 1299 C GLU A 85 -7.996 8.924 -2.415 1.00 0.00 C ATOM 1300 O GLU A 85 -7.042 8.677 -1.678 1.00 0.00 O ATOM 1301 CB GLU A 85 -9.405 10.110 -0.679 1.00 0.00 C ATOM 1302 CG GLU A 85 -10.773 10.202 0.015 1.00 0.00 C ATOM 1303 CD GLU A 85 -11.895 10.543 -0.959 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -11.895 11.697 -1.439 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -12.725 9.643 -1.215 1.00 0.00 O ATOM 0 H GLU A 85 -9.829 7.665 -0.371 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.046 9.476 -2.619 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.648 9.830 0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.129 11.092 -1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.995 9.253 0.503 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.731 10.960 0.797 1.00 0.00 H new ATOM 1312 N VAL A 86 -7.869 9.066 -3.736 1.00 0.00 N ATOM 1313 CA VAL A 86 -6.583 9.001 -4.414 1.00 0.00 C ATOM 1314 C VAL A 86 -5.746 10.206 -3.965 1.00 0.00 C ATOM 1315 O VAL A 86 -6.047 11.338 -4.332 1.00 0.00 O ATOM 1316 CB VAL A 86 -6.782 8.983 -5.940 1.00 0.00 C ATOM 1317 CG1 VAL A 86 -5.433 8.958 -6.670 1.00 0.00 C ATOM 1318 CG2 VAL A 86 -7.569 7.739 -6.368 1.00 0.00 C ATOM 0 H VAL A 86 -8.658 9.229 -4.361 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.058 8.082 -4.152 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.331 9.887 -6.202 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.602 8.946 -7.747 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.858 9.845 -6.403 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.879 8.066 -6.380 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.699 7.745 -7.450 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.022 6.843 -6.073 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.546 7.743 -5.885 1.00 0.00 H new ATOM 1328 N ALA A 87 -4.705 9.962 -3.170 1.00 0.00 N ATOM 1329 CA ALA A 87 -3.819 10.994 -2.652 1.00 0.00 C ATOM 1330 C ALA A 87 -2.809 11.413 -3.722 1.00 0.00 C ATOM 1331 O ALA A 87 -2.563 12.601 -3.905 1.00 0.00 O ATOM 1332 CB ALA A 87 -3.107 10.470 -1.401 1.00 0.00 C ATOM 0 H ALA A 87 -4.452 9.022 -2.864 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.403 11.874 -2.382 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.443 11.241 -1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.846 10.211 -0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.525 9.585 -1.658 1.00 0.00 H new ATOM 1338 N ALA A 88 -2.236 10.442 -4.442 1.00 0.00 N ATOM 1339 CA ALA A 88 -1.277 10.700 -5.508 1.00 0.00 C ATOM 1340 C ALA A 88 -1.221 9.497 -6.444 1.00 0.00 C ATOM 1341 O ALA A 88 -1.628 8.398 -6.065 1.00 0.00 O ATOM 1342 CB ALA A 88 0.108 10.995 -4.928 1.00 0.00 C ATOM 0 H ALA A 88 -2.430 9.451 -4.296 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.598 11.576 -6.071 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.810 11.185 -5.740 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.053 11.872 -4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.449 10.138 -4.347 1.00 0.00 H new ATOM 1348 N THR A 89 -0.724 9.722 -7.664 1.00 0.00 N ATOM 1349 CA THR A 89 -0.615 8.718 -8.708 1.00 0.00 C ATOM 1350 C THR A 89 0.760 8.831 -9.372 1.00 0.00 C ATOM 1351 O THR A 89 0.957 9.738 -10.179 1.00 0.00 O ATOM 1352 CB THR A 89 -1.751 8.930 -9.724 1.00 0.00 C ATOM 1353 OG1 THR A 89 -1.654 10.191 -10.357 1.00 0.00 O ATOM 1354 CG2 THR A 89 -3.123 8.894 -9.049 1.00 0.00 C ATOM 0 H THR A 89 -0.378 10.637 -7.953 1.00 0.00 H new ATOM 0 HA THR A 89 -0.709 7.715 -8.291 1.00 0.00 H new ATOM 0 HB THR A 89 -1.651 8.121 -10.448 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.710 10.427 -10.473 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.901 9.047 -9.797 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.267 7.926 -8.569 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.180 9.683 -8.299 1.00 0.00 H new ATOM 1362 N LYS A 90 1.706 7.933 -9.076 1.00 0.00 N ATOM 1363 CA LYS A 90 3.016 7.994 -9.719 1.00 0.00 C ATOM 1364 C LYS A 90 2.954 7.141 -10.984 1.00 0.00 C ATOM 1365 O LYS A 90 2.671 5.948 -10.903 1.00 0.00 O ATOM 1366 CB LYS A 90 4.132 7.555 -8.760 1.00 0.00 C ATOM 1367 CG LYS A 90 5.495 7.361 -9.446 1.00 0.00 C ATOM 1368 CD LYS A 90 6.122 8.670 -9.955 1.00 0.00 C ATOM 1369 CE LYS A 90 7.124 8.419 -11.090 1.00 0.00 C ATOM 1370 NZ LYS A 90 8.067 7.336 -10.768 1.00 0.00 N ATOM 0 H LYS A 90 1.590 7.171 -8.408 1.00 0.00 H new ATOM 0 HA LYS A 90 3.260 9.020 -9.993 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.235 8.300 -7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.840 6.621 -8.280 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.182 6.889 -8.743 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.375 6.675 -10.285 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.335 9.337 -10.306 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.625 9.176 -9.131 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.582 8.168 -12.002 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.680 9.335 -11.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.956 7.484 -11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.258 7.335 -9.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.654 6.422 -11.044 1.00 0.00 H new ATOM 1384 N VAL A 91 3.209 7.746 -12.143 1.00 0.00 N ATOM 1385 CA VAL A 91 3.199 7.068 -13.430 1.00 0.00 C ATOM 1386 C VAL A 91 4.647 6.743 -13.794 1.00 0.00 C ATOM 1387 O VAL A 91 5.386 7.638 -14.198 1.00 0.00 O ATOM 1388 CB VAL A 91 2.535 7.978 -14.482 1.00 0.00 C ATOM 1389 CG1 VAL A 91 2.370 7.236 -15.815 1.00 0.00 C ATOM 1390 CG2 VAL A 91 1.157 8.452 -14.004 1.00 0.00 C ATOM 0 H VAL A 91 3.432 8.739 -12.211 1.00 0.00 H new ATOM 0 HA VAL A 91 2.625 6.142 -13.390 1.00 0.00 H new ATOM 0 HB VAL A 91 3.185 8.842 -14.624 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.899 7.897 -16.543 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.348 6.928 -16.184 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.745 6.356 -15.666 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.709 9.093 -14.764 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.514 7.588 -13.833 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.267 9.012 -13.076 1.00 0.00 H new ATOM 1400 N GLY A 92 5.061 5.483 -13.641 1.00 0.00 N ATOM 1401 CA GLY A 92 6.411 5.037 -13.956 1.00 0.00 C ATOM 1402 C GLY A 92 7.162 4.565 -12.714 1.00 0.00 C ATOM 1403 O GLY A 92 6.787 4.869 -11.581 1.00 0.00 O ATOM 0 H GLY A 92 4.458 4.739 -13.291 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.364 4.225 -14.682 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.962 5.852 -14.425 1.00 0.00 H new ATOM 1407 N ALA A 93 8.231 3.800 -12.942 1.00 0.00 N ATOM 1408 CA ALA A 93 9.068 3.242 -11.890 1.00 0.00 C ATOM 1409 C ALA A 93 9.932 4.317 -11.225 1.00 0.00 C ATOM 1410 O ALA A 93 10.093 5.416 -11.751 1.00 0.00 O ATOM 1411 CB ALA A 93 9.948 2.142 -12.493 1.00 0.00 C ATOM 0 H ALA A 93 8.541 3.549 -13.881 1.00 0.00 H new ATOM 0 HA ALA A 93 8.427 2.824 -11.114 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.581 1.715 -11.715 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.316 1.361 -12.916 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.574 2.566 -13.278 1.00 0.00 H new ATOM 1417 N LEU A 94 10.509 3.968 -10.073 1.00 0.00 N ATOM 1418 CA LEU A 94 11.408 4.789 -9.278 1.00 0.00 C ATOM 1419 C LEU A 94 12.123 3.862 -8.295 1.00 0.00 C ATOM 1420 O LEU A 94 11.713 2.714 -8.126 1.00 0.00 O ATOM 1421 CB LEU A 94 10.694 5.965 -8.594 1.00 0.00 C ATOM 1422 CG LEU A 94 9.661 5.607 -7.513 1.00 0.00 C ATOM 1423 CD1 LEU A 94 9.097 6.906 -6.926 1.00 0.00 C ATOM 1424 CD2 LEU A 94 8.502 4.746 -8.029 1.00 0.00 C ATOM 0 H LEU A 94 10.349 3.053 -9.652 1.00 0.00 H new ATOM 0 HA LEU A 94 12.141 5.272 -9.923 1.00 0.00 H new ATOM 0 HB2 LEU A 94 11.450 6.607 -8.143 1.00 0.00 H new ATOM 0 HB3 LEU A 94 10.193 6.553 -9.363 1.00 0.00 H new ATOM 0 HG LEU A 94 10.179 5.013 -6.760 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.362 6.669 -6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.907 7.488 -6.487 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.621 7.486 -7.717 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.814 4.534 -7.211 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.974 5.282 -8.817 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.893 3.809 -8.426 1.00 0.00 H new ATOM 1436 N SER A 95 13.212 4.341 -7.696 1.00 0.00 N ATOM 1437 CA SER A 95 14.080 3.581 -6.817 1.00 0.00 C ATOM 1438 C SER A 95 13.707 3.721 -5.338 1.00 0.00 C ATOM 1439 O SER A 95 12.902 4.570 -4.947 1.00 0.00 O ATOM 1440 CB SER A 95 15.504 4.093 -7.084 1.00 0.00 C ATOM 1441 OG SER A 95 15.473 5.497 -7.305 1.00 0.00 O ATOM 0 H SER A 95 13.520 5.306 -7.818 1.00 0.00 H new ATOM 0 HA SER A 95 13.985 2.515 -7.026 1.00 0.00 H new ATOM 0 HB2 SER A 95 16.149 3.862 -6.236 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.926 3.587 -7.952 1.00 0.00 H new ATOM 0 HG SER A 95 15.382 5.675 -8.264 1.00 0.00 H new ATOM 1447 N LYS A 96 14.351 2.895 -4.504 1.00 0.00 N ATOM 1448 CA LYS A 96 14.221 2.971 -3.057 1.00 0.00 C ATOM 1449 C LYS A 96 14.740 4.350 -2.626 1.00 0.00 C ATOM 1450 O LYS A 96 15.502 4.988 -3.352 1.00 0.00 O ATOM 1451 CB LYS A 96 15.023 1.825 -2.414 1.00 0.00 C ATOM 1452 CG LYS A 96 14.725 1.662 -0.916 1.00 0.00 C ATOM 1453 CD LYS A 96 15.629 0.598 -0.287 1.00 0.00 C ATOM 1454 CE LYS A 96 15.324 0.474 1.212 1.00 0.00 C ATOM 1455 NZ LYS A 96 16.224 -0.484 1.876 1.00 0.00 N ATOM 0 H LYS A 96 14.977 2.155 -4.822 1.00 0.00 H new ATOM 0 HA LYS A 96 13.186 2.860 -2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.794 0.892 -2.930 1.00 0.00 H new ATOM 0 HB3 LYS A 96 16.088 2.011 -2.550 1.00 0.00 H new ATOM 0 HG2 LYS A 96 14.871 2.615 -0.407 1.00 0.00 H new ATOM 0 HG3 LYS A 96 13.680 1.384 -0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 96 15.473 -0.362 -0.779 1.00 0.00 H new ATOM 0 HD3 LYS A 96 16.676 0.865 -0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 96 15.421 1.451 1.685 1.00 0.00 H new ATOM 0 HE3 LYS A 96 14.290 0.156 1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 16.404 -0.173 2.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 15.781 -1.425 1.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 17.124 -0.532 1.357 1.00 0.00 H new ATOM 1469 N GLY A 97 14.303 4.851 -1.471 1.00 0.00 N ATOM 1470 CA GLY A 97 14.683 6.177 -1.015 1.00 0.00 C ATOM 1471 C GLY A 97 13.727 7.169 -1.663 1.00 0.00 C ATOM 1472 O GLY A 97 12.938 7.801 -0.972 1.00 0.00 O ATOM 0 H GLY A 97 13.682 4.351 -0.835 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.625 6.241 0.072 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.713 6.398 -1.293 1.00 0.00 H new ATOM 1476 N GLN A 98 13.740 7.253 -2.995 1.00 0.00 N ATOM 1477 CA GLN A 98 12.817 8.111 -3.731 1.00 0.00 C ATOM 1478 C GLN A 98 11.390 7.666 -3.405 1.00 0.00 C ATOM 1479 O GLN A 98 10.566 8.457 -2.944 1.00 0.00 O ATOM 1480 CB GLN A 98 13.101 8.051 -5.243 1.00 0.00 C ATOM 1481 CG GLN A 98 14.330 8.878 -5.648 1.00 0.00 C ATOM 1482 CD GLN A 98 15.601 8.431 -4.935 1.00 0.00 C ATOM 1483 OE1 GLN A 98 16.173 9.170 -4.144 1.00 0.00 O ATOM 1484 NE2 GLN A 98 16.044 7.206 -5.192 1.00 0.00 N ATOM 0 H GLN A 98 14.386 6.732 -3.587 1.00 0.00 H new ATOM 0 HA GLN A 98 12.948 9.151 -3.431 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.253 7.013 -5.539 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.229 8.413 -5.787 1.00 0.00 H new ATOM 0 HG2 GLN A 98 14.476 8.800 -6.725 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.145 9.929 -5.427 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.547 6.613 -5.856 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.882 6.858 -4.725 1.00 0.00 H new ATOM 1493 N LEU A 99 11.113 6.375 -3.618 1.00 0.00 N ATOM 1494 CA LEU A 99 9.820 5.792 -3.302 1.00 0.00 C ATOM 1495 C LEU A 99 9.478 6.035 -1.831 1.00 0.00 C ATOM 1496 O LEU A 99 8.386 6.496 -1.512 1.00 0.00 O ATOM 1497 CB LEU A 99 9.844 4.294 -3.642 1.00 0.00 C ATOM 1498 CG LEU A 99 8.524 3.563 -3.348 1.00 0.00 C ATOM 1499 CD1 LEU A 99 7.309 4.210 -4.022 1.00 0.00 C ATOM 1500 CD2 LEU A 99 8.643 2.120 -3.843 1.00 0.00 C ATOM 0 H LEU A 99 11.781 5.713 -4.013 1.00 0.00 H new ATOM 0 HA LEU A 99 9.041 6.266 -3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 99 10.085 4.176 -4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.645 3.817 -3.077 1.00 0.00 H new ATOM 0 HG LEU A 99 8.362 3.614 -2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.411 3.645 -3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.201 5.236 -3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.450 4.210 -5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.713 1.588 -3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.837 2.118 -4.916 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.464 1.624 -3.325 1.00 0.00 H new ATOM 1512 N LYS A 100 10.422 5.738 -0.932 1.00 0.00 N ATOM 1513 CA LYS A 100 10.222 5.909 0.499 1.00 0.00 C ATOM 1514 C LYS A 100 9.804 7.342 0.849 1.00 0.00 C ATOM 1515 O LYS A 100 8.849 7.537 1.603 1.00 0.00 O ATOM 1516 CB LYS A 100 11.473 5.478 1.275 1.00 0.00 C ATOM 1517 CG LYS A 100 11.682 3.960 1.169 1.00 0.00 C ATOM 1518 CD LYS A 100 12.882 3.451 1.979 1.00 0.00 C ATOM 1519 CE LYS A 100 12.696 3.667 3.487 1.00 0.00 C ATOM 1520 NZ LYS A 100 13.720 2.945 4.262 1.00 0.00 N ATOM 0 H LYS A 100 11.342 5.374 -1.181 1.00 0.00 H new ATOM 0 HA LYS A 100 9.399 5.261 0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 100 12.347 5.999 0.884 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.374 5.764 2.322 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.780 3.452 1.511 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.820 3.692 0.122 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.028 2.389 1.781 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.785 3.964 1.649 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.750 4.732 3.713 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.704 3.327 3.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.709 3.279 5.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 13.517 1.925 4.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 14.657 3.121 3.847 1.00 0.00 H new ATOM 1534 N GLU A 101 10.506 8.336 0.295 1.00 0.00 N ATOM 1535 CA GLU A 101 10.204 9.740 0.518 1.00 0.00 C ATOM 1536 C GLU A 101 8.819 10.065 -0.035 1.00 0.00 C ATOM 1537 O GLU A 101 8.019 10.682 0.662 1.00 0.00 O ATOM 1538 CB GLU A 101 11.286 10.632 -0.109 1.00 0.00 C ATOM 1539 CG GLU A 101 12.606 10.576 0.675 1.00 0.00 C ATOM 1540 CD GLU A 101 12.481 11.201 2.062 1.00 0.00 C ATOM 1541 OE1 GLU A 101 12.384 12.446 2.115 1.00 0.00 O ATOM 1542 OE2 GLU A 101 12.477 10.422 3.039 1.00 0.00 O ATOM 0 H GLU A 101 11.303 8.181 -0.323 1.00 0.00 H new ATOM 0 HA GLU A 101 10.198 9.940 1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.462 10.319 -1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.930 11.662 -0.146 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.924 9.538 0.774 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.382 11.095 0.113 1.00 0.00 H new ATOM 1549 N PHE A 102 8.520 9.646 -1.269 1.00 0.00 N ATOM 1550 CA PHE A 102 7.208 9.867 -1.873 1.00 0.00 C ATOM 1551 C PHE A 102 6.108 9.337 -0.944 1.00 0.00 C ATOM 1552 O PHE A 102 5.166 10.053 -0.596 1.00 0.00 O ATOM 1553 CB PHE A 102 7.153 9.198 -3.253 1.00 0.00 C ATOM 1554 CG PHE A 102 5.776 9.153 -3.893 1.00 0.00 C ATOM 1555 CD1 PHE A 102 5.274 10.273 -4.583 1.00 0.00 C ATOM 1556 CD2 PHE A 102 5.007 7.974 -3.827 1.00 0.00 C ATOM 1557 CE1 PHE A 102 4.035 10.197 -5.244 1.00 0.00 C ATOM 1558 CE2 PHE A 102 3.765 7.902 -4.483 1.00 0.00 C ATOM 1559 CZ PHE A 102 3.289 9.007 -5.209 1.00 0.00 C ATOM 0 H PHE A 102 9.177 9.148 -1.871 1.00 0.00 H new ATOM 0 HA PHE A 102 7.042 10.935 -2.010 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.831 9.727 -3.923 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.527 8.178 -3.160 1.00 0.00 H new ATOM 0 HD1 PHE A 102 5.841 11.192 -4.605 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.372 7.123 -3.271 1.00 0.00 H new ATOM 0 HE1 PHE A 102 3.656 11.055 -5.780 1.00 0.00 H new ATOM 0 HE2 PHE A 102 3.177 6.998 -4.429 1.00 0.00 H new ATOM 0 HZ PHE A 102 2.351 8.942 -5.740 1.00 0.00 H new ATOM 1569 N LEU A 103 6.236 8.078 -0.525 1.00 0.00 N ATOM 1570 CA LEU A 103 5.274 7.447 0.361 1.00 0.00 C ATOM 1571 C LEU A 103 5.165 8.218 1.674 1.00 0.00 C ATOM 1572 O LEU A 103 4.062 8.568 2.085 1.00 0.00 O ATOM 1573 CB LEU A 103 5.663 5.986 0.606 1.00 0.00 C ATOM 1574 CG LEU A 103 5.567 5.139 -0.672 1.00 0.00 C ATOM 1575 CD1 LEU A 103 6.221 3.783 -0.406 1.00 0.00 C ATOM 1576 CD2 LEU A 103 4.120 4.976 -1.149 1.00 0.00 C ATOM 0 H LEU A 103 7.011 7.472 -0.794 1.00 0.00 H new ATOM 0 HA LEU A 103 4.293 7.464 -0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.681 5.943 0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.013 5.562 1.371 1.00 0.00 H new ATOM 0 HG LEU A 103 6.093 5.651 -1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.162 3.168 -1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.267 3.930 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.702 3.283 0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.102 4.370 -2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.534 4.485 -0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.694 5.957 -1.360 1.00 0.00 H new ATOM 1588 N ASP A 104 6.296 8.500 2.326 1.00 0.00 N ATOM 1589 CA ASP A 104 6.318 9.244 3.580 1.00 0.00 C ATOM 1590 C ASP A 104 5.582 10.577 3.433 1.00 0.00 C ATOM 1591 O ASP A 104 4.703 10.894 4.231 1.00 0.00 O ATOM 1592 CB ASP A 104 7.763 9.460 4.039 1.00 0.00 C ATOM 1593 CG ASP A 104 7.799 10.230 5.355 1.00 0.00 C ATOM 1594 OD1 ASP A 104 7.623 9.566 6.400 1.00 0.00 O ATOM 1595 OD2 ASP A 104 7.986 11.462 5.290 1.00 0.00 O ATOM 0 H ASP A 104 7.219 8.218 1.997 1.00 0.00 H new ATOM 0 HA ASP A 104 5.799 8.661 4.341 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.259 8.497 4.161 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.315 10.008 3.275 1.00 0.00 H new ATOM 1600 N ALA A 105 5.934 11.346 2.401 1.00 0.00 N ATOM 1601 CA ALA A 105 5.334 12.638 2.100 1.00 0.00 C ATOM 1602 C ALA A 105 3.820 12.523 1.922 1.00 0.00 C ATOM 1603 O ALA A 105 3.085 13.423 2.323 1.00 0.00 O ATOM 1604 CB ALA A 105 5.987 13.231 0.850 1.00 0.00 C ATOM 0 H ALA A 105 6.662 11.077 1.739 1.00 0.00 H new ATOM 0 HA ALA A 105 5.510 13.305 2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.536 14.198 0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.055 13.361 1.024 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.836 12.557 0.006 1.00 0.00 H new ATOM 1610 N ASN A 106 3.342 11.418 1.342 1.00 0.00 N ATOM 1611 CA ASN A 106 1.914 11.232 1.120 1.00 0.00 C ATOM 1612 C ASN A 106 1.244 10.833 2.430 1.00 0.00 C ATOM 1613 O ASN A 106 0.227 11.417 2.794 1.00 0.00 O ATOM 1614 CB ASN A 106 1.662 10.143 0.072 1.00 0.00 C ATOM 1615 CG ASN A 106 1.662 10.687 -1.349 1.00 0.00 C ATOM 1616 OD1 ASN A 106 0.608 11.004 -1.886 1.00 0.00 O ATOM 1617 ND2 ASN A 106 2.830 10.784 -1.977 1.00 0.00 N ATOM 0 H ASN A 106 3.924 10.645 1.021 1.00 0.00 H new ATOM 0 HA ASN A 106 1.496 12.171 0.756 1.00 0.00 H new ATOM 0 HB2 ASN A 106 2.428 9.373 0.162 1.00 0.00 H new ATOM 0 HB3 ASN A 106 0.704 9.664 0.274 1.00 0.00 H new ATOM 0 HD21 ASN A 106 2.866 11.131 -2.935 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.690 10.511 -1.500 1.00 0.00 H new ATOM 1624 N LEU A 107 1.803 9.856 3.148 1.00 0.00 N ATOM 1625 CA LEU A 107 1.274 9.412 4.432 1.00 0.00 C ATOM 1626 C LEU A 107 1.159 10.613 5.373 1.00 0.00 C ATOM 1627 O LEU A 107 0.112 10.838 5.975 1.00 0.00 O ATOM 1628 CB LEU A 107 2.171 8.317 5.026 1.00 0.00 C ATOM 1629 CG LEU A 107 2.087 6.990 4.254 1.00 0.00 C ATOM 1630 CD1 LEU A 107 3.294 6.116 4.602 1.00 0.00 C ATOM 1631 CD2 LEU A 107 0.798 6.223 4.582 1.00 0.00 C ATOM 0 H LEU A 107 2.638 9.351 2.851 1.00 0.00 H new ATOM 0 HA LEU A 107 0.281 8.984 4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.204 8.664 5.031 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.887 8.146 6.064 1.00 0.00 H new ATOM 0 HG LEU A 107 2.083 7.224 3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.233 5.176 4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.211 6.637 4.328 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.299 5.912 5.673 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.775 5.291 4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.768 6.001 5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.066 6.831 4.313 1.00 0.00 H new ATOM 1643 N ALA A 108 2.227 11.412 5.467 1.00 0.00 N ATOM 1644 CA ALA A 108 2.243 12.624 6.268 1.00 0.00 C ATOM 1645 C ALA A 108 1.196 13.601 5.736 1.00 0.00 C ATOM 1646 O ALA A 108 0.864 14.579 6.405 1.00 0.00 O ATOM 1647 CB ALA A 108 3.644 13.241 6.230 1.00 0.00 C ATOM 0 H ALA A 108 3.106 11.228 4.984 1.00 0.00 H new ATOM 0 HA ALA A 108 1.998 12.391 7.304 1.00 0.00 H new ATOM 0 HB1 ALA A 108 3.657 14.151 6.831 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.366 12.530 6.632 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.907 13.482 5.200 1.00 0.00 H new TER 1653 ALA A 108