USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 849 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 57 HIS :FLIP no HE2:sc= -1.06 F(o=-1.7,f=-1.1) USER MOD Set 1.2: A 66 ASN : amide:sc= 0 X(o=-1.1,f=-1.1) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0153 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 144:sc= 0.103 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 140:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN :FLIP amide:sc= -2.47! C(o=-3.7!,f=-2.5!) USER MOD Single : A 16 HIS : no HD1:sc= -0.184 K(o=-0.18,f=-0.85) USER MOD Single : A 31 GLN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.219 USER MOD Single : A 44 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0881) USER MOD Single : A 49 THR OG1 : rot 130:sc= 0.568 USER MOD Single : A 53 LYS NZ :NH3+ -157:sc= -0.242 (180deg=-0.692) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -166:sc= -2.77! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0619 USER MOD Single : A 79 GLN : amide:sc= -0.215 K(o=-0.22,f=-2.1!) USER MOD Single : A 89 SER OG : rot 180:sc= -1.69! USER MOD Single : A 95 LYS NZ :NH3+ -117:sc= 0.0437 (180deg=-0.0262) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HE2:sc= -2.95! C(o=-3!,f=-3.6!) USER MOD Single : A 106 ASN :FLIP amide:sc= -0.41 F(o=-1.3,f=-0.41) USER MOD Single : A 109 GLN : amide:sc= -1.36 K(o=-1.4,f=-3.6!) USER MOD Single : A 111 SER OG : rot 52:sc= 0.385 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS :FLIP no HE2:sc= -0.256 F(o=-1.2,f=-0.26) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 9.907 21.043 2.251 1.00 0.00 N ATOM 47 CA THR A 4 9.512 20.035 3.233 1.00 0.00 C ATOM 48 C THR A 4 9.065 18.754 2.533 1.00 0.00 C ATOM 49 O THR A 4 8.637 18.786 1.380 1.00 0.00 O ATOM 50 CB THR A 4 8.384 20.569 4.127 1.00 0.00 C ATOM 51 OG1 THR A 4 7.937 19.569 5.035 1.00 0.00 O ATOM 52 CG2 THR A 4 7.180 21.058 3.345 1.00 0.00 C ATOM 0 HA THR A 4 10.376 19.809 3.858 1.00 0.00 H new ATOM 0 HB THR A 4 8.817 21.415 4.661 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.220 19.933 5.595 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.420 21.422 4.037 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.482 21.867 2.680 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.771 20.237 2.756 1.00 0.00 H new ATOM 60 N VAL A 5 9.160 17.631 3.240 1.00 0.00 N ATOM 61 CA VAL A 5 8.757 16.343 2.686 1.00 0.00 C ATOM 62 C VAL A 5 8.134 15.463 3.767 1.00 0.00 C ATOM 63 O VAL A 5 8.784 15.130 4.762 1.00 0.00 O ATOM 64 CB VAL A 5 9.946 15.594 2.044 1.00 0.00 C ATOM 65 CG1 VAL A 5 9.462 14.340 1.327 1.00 0.00 C ATOM 66 CG2 VAL A 5 10.709 16.505 1.088 1.00 0.00 C ATOM 0 H VAL A 5 9.512 17.587 4.196 1.00 0.00 H new ATOM 0 HA VAL A 5 8.020 16.549 1.910 1.00 0.00 H new ATOM 0 HB VAL A 5 10.629 15.293 2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 5 10.313 13.825 0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 5 8.971 13.679 2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.755 14.618 0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 5 11.541 15.956 0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 5 10.040 16.844 0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.092 17.367 1.634 1.00 0.00 H new ATOM 76 N LYS A 6 6.872 15.090 3.560 1.00 0.00 N ATOM 77 CA LYS A 6 6.149 14.247 4.507 1.00 0.00 C ATOM 78 C LYS A 6 5.345 13.185 3.765 1.00 0.00 C ATOM 79 O LYS A 6 4.448 13.511 2.984 1.00 0.00 O ATOM 80 CB LYS A 6 5.221 15.094 5.384 1.00 0.00 C ATOM 81 CG LYS A 6 5.707 15.241 6.819 1.00 0.00 C ATOM 82 CD LYS A 6 6.499 16.526 7.014 1.00 0.00 C ATOM 83 CE LYS A 6 5.582 17.735 7.137 1.00 0.00 C ATOM 84 NZ LYS A 6 6.085 18.725 8.133 1.00 0.00 N ATOM 0 H LYS A 6 6.328 15.361 2.741 1.00 0.00 H new ATOM 0 HA LYS A 6 6.877 13.752 5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.119 16.084 4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.228 14.643 5.389 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.852 15.234 7.496 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.330 14.386 7.082 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.114 16.443 7.910 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.178 16.667 6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.487 18.217 6.164 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.585 17.404 7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.429 19.531 8.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.151 18.274 9.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.025 19.062 7.843 1.00 0.00 H new ATOM 98 N ARG A 7 5.681 11.917 4.000 1.00 0.00 N ATOM 99 CA ARG A 7 4.994 10.810 3.338 1.00 0.00 C ATOM 100 C ARG A 7 4.757 9.645 4.296 1.00 0.00 C ATOM 101 O ARG A 7 5.627 9.296 5.091 1.00 0.00 O ATOM 102 CB ARG A 7 5.806 10.340 2.126 1.00 0.00 C ATOM 103 CG ARG A 7 6.291 11.479 1.241 1.00 0.00 C ATOM 104 CD ARG A 7 6.981 10.967 -0.012 1.00 0.00 C ATOM 105 NE ARG A 7 7.692 12.035 -0.714 1.00 0.00 N ATOM 106 CZ ARG A 7 8.604 11.827 -1.664 1.00 0.00 C ATOM 107 NH1 ARG A 7 8.921 10.591 -2.040 1.00 0.00 N ATOM 108 NH2 ARG A 7 9.203 12.861 -2.244 1.00 0.00 N ATOM 0 H ARG A 7 6.421 11.632 4.641 1.00 0.00 H new ATOM 0 HA ARG A 7 4.021 11.170 3.004 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.667 9.770 2.475 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.195 9.662 1.530 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.445 12.106 0.959 1.00 0.00 H new ATOM 0 HG3 ARG A 7 6.980 12.108 1.804 1.00 0.00 H new ATOM 0 HD2 ARG A 7 7.683 10.178 0.256 1.00 0.00 H new ATOM 0 HD3 ARG A 7 6.242 10.523 -0.679 1.00 0.00 H new ATOM 0 HE ARG A 7 7.477 12.999 -0.461 1.00 0.00 H new ATOM 0 HH11 ARG A 7 8.465 9.791 -1.601 1.00 0.00 H new ATOM 0 HH12 ARG A 7 9.620 10.443 -2.768 1.00 0.00 H new ATOM 0 HH21 ARG A 7 8.965 13.812 -1.962 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.901 12.704 -2.971 1.00 0.00 H new ATOM 122 N THR A 8 3.572 9.046 4.209 1.00 0.00 N ATOM 123 CA THR A 8 3.212 7.913 5.059 1.00 0.00 C ATOM 124 C THR A 8 2.283 6.959 4.311 1.00 0.00 C ATOM 125 O THR A 8 1.132 7.296 4.027 1.00 0.00 O ATOM 126 CB THR A 8 2.553 8.401 6.360 1.00 0.00 C ATOM 127 OG1 THR A 8 2.014 7.314 7.093 1.00 0.00 O ATOM 128 CG2 THR A 8 1.439 9.406 6.139 1.00 0.00 C ATOM 0 H THR A 8 2.841 9.328 3.555 1.00 0.00 H new ATOM 0 HA THR A 8 4.123 7.374 5.319 1.00 0.00 H new ATOM 0 HB THR A 8 3.353 8.892 6.913 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.601 7.648 7.917 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.022 9.704 7.101 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.836 10.283 5.628 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.657 8.954 5.529 1.00 0.00 H new ATOM 136 N ILE A 9 2.794 5.770 3.992 1.00 0.00 N ATOM 137 CA ILE A 9 2.016 4.768 3.274 1.00 0.00 C ATOM 138 C ILE A 9 1.567 3.657 4.219 1.00 0.00 C ATOM 139 O ILE A 9 2.392 2.962 4.816 1.00 0.00 O ATOM 140 CB ILE A 9 2.812 4.166 2.090 1.00 0.00 C ATOM 141 CG1 ILE A 9 1.919 3.246 1.254 1.00 0.00 C ATOM 142 CG2 ILE A 9 4.046 3.418 2.582 1.00 0.00 C ATOM 143 CD1 ILE A 9 2.000 3.510 -0.235 1.00 0.00 C ATOM 0 H ILE A 9 3.745 5.480 4.221 1.00 0.00 H new ATOM 0 HA ILE A 9 1.137 5.269 2.869 1.00 0.00 H new ATOM 0 HB ILE A 9 3.149 4.987 1.458 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.198 2.210 1.446 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.885 3.363 1.579 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.586 3.006 1.729 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.695 4.105 3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.740 2.608 3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.341 2.821 -0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.692 4.535 -0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.025 3.364 -0.575 1.00 0.00 H new ATOM 155 N ARG A 10 0.255 3.506 4.360 1.00 0.00 N ATOM 156 CA ARG A 10 -0.305 2.487 5.240 1.00 0.00 C ATOM 157 C ARG A 10 -1.206 1.535 4.459 1.00 0.00 C ATOM 158 O ARG A 10 -2.196 1.961 3.859 1.00 0.00 O ATOM 159 CB ARG A 10 -1.097 3.143 6.378 1.00 0.00 C ATOM 160 CG ARG A 10 -0.381 4.320 7.027 1.00 0.00 C ATOM 161 CD ARG A 10 -1.205 5.595 6.927 1.00 0.00 C ATOM 162 NE ARG A 10 -2.132 5.738 8.048 1.00 0.00 N ATOM 163 CZ ARG A 10 -1.775 6.155 9.266 1.00 0.00 C ATOM 164 NH1 ARG A 10 -0.513 6.493 9.520 1.00 0.00 N ATOM 165 NH2 ARG A 10 -2.682 6.236 10.232 1.00 0.00 N ATOM 0 H ARG A 10 -0.440 4.075 3.877 1.00 0.00 H new ATOM 0 HA ARG A 10 0.519 1.914 5.666 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.057 3.483 5.991 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.308 2.393 7.140 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.183 4.094 8.075 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.585 4.471 6.545 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.538 6.456 6.896 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.765 5.592 5.992 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.112 5.505 7.891 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.189 6.435 8.782 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.248 6.811 10.452 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.651 5.980 10.044 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.410 6.554 11.162 1.00 0.00 H new ATOM 179 N ILE A 11 -0.858 0.248 4.466 1.00 0.00 N ATOM 180 CA ILE A 11 -1.641 -0.760 3.755 1.00 0.00 C ATOM 181 C ILE A 11 -2.198 -1.810 4.715 1.00 0.00 C ATOM 182 O ILE A 11 -1.454 -2.418 5.488 1.00 0.00 O ATOM 183 CB ILE A 11 -0.819 -1.456 2.644 1.00 0.00 C ATOM 184 CG1 ILE A 11 0.555 -1.888 3.160 1.00 0.00 C ATOM 185 CG2 ILE A 11 -0.671 -0.540 1.439 1.00 0.00 C ATOM 186 CD1 ILE A 11 1.214 -2.947 2.298 1.00 0.00 C ATOM 0 H ILE A 11 -0.042 -0.119 4.955 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.471 -0.232 3.286 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.359 -2.352 2.338 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.206 -1.016 3.213 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.450 -2.270 4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.090 -1.045 0.667 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.657 -0.292 1.047 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.159 0.375 1.738 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.184 -3.208 2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.582 -3.835 2.265 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.350 -2.561 1.288 1.00 0.00 H new ATOM 198 N LYS A 12 -3.515 -2.014 4.659 1.00 0.00 N ATOM 199 CA LYS A 12 -4.184 -2.985 5.520 1.00 0.00 C ATOM 200 C LYS A 12 -4.766 -4.130 4.697 1.00 0.00 C ATOM 201 O LYS A 12 -5.452 -3.903 3.694 1.00 0.00 O ATOM 202 CB LYS A 12 -5.292 -2.301 6.329 1.00 0.00 C ATOM 203 CG LYS A 12 -4.872 -1.922 7.740 1.00 0.00 C ATOM 204 CD LYS A 12 -3.842 -0.802 7.737 1.00 0.00 C ATOM 205 CE LYS A 12 -4.465 0.535 8.102 1.00 0.00 C ATOM 206 NZ LYS A 12 -4.457 0.771 9.574 1.00 0.00 N ATOM 0 H LYS A 12 -4.139 -1.517 4.024 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.445 -3.397 6.208 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.614 -1.403 5.801 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.154 -2.966 6.382 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.748 -1.610 8.309 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.459 -2.796 8.244 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.046 -1.038 8.443 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.383 -0.732 6.751 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.921 1.337 7.603 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.491 0.569 7.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.291 1.780 9.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.374 0.490 9.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.700 0.208 10.012 1.00 0.00 H new ATOM 220 N THR A 13 -4.483 -5.362 5.122 1.00 0.00 N ATOM 221 CA THR A 13 -4.968 -6.552 4.428 1.00 0.00 C ATOM 222 C THR A 13 -5.678 -7.501 5.398 1.00 0.00 C ATOM 223 O THR A 13 -5.068 -8.008 6.341 1.00 0.00 O ATOM 224 CB THR A 13 -3.801 -7.277 3.744 1.00 0.00 C ATOM 225 OG1 THR A 13 -2.895 -6.351 3.162 1.00 0.00 O ATOM 226 CG2 THR A 13 -4.241 -8.231 2.653 1.00 0.00 C ATOM 0 H THR A 13 -3.918 -5.560 5.947 1.00 0.00 H new ATOM 0 HA THR A 13 -5.686 -6.236 3.671 1.00 0.00 H new ATOM 0 HB THR A 13 -3.322 -7.850 4.538 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.975 -6.656 3.311 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.366 -8.709 2.213 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.895 -8.993 3.078 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.779 -7.679 1.882 1.00 0.00 H new ATOM 234 N GLN A 14 -6.968 -7.737 5.156 1.00 0.00 N ATOM 235 CA GLN A 14 -7.761 -8.627 6.006 1.00 0.00 C ATOM 236 C GLN A 14 -8.506 -9.665 5.167 1.00 0.00 C ATOM 237 O GLN A 14 -9.008 -9.351 4.087 1.00 0.00 O ATOM 238 CB GLN A 14 -8.755 -7.818 6.843 1.00 0.00 C ATOM 239 CG GLN A 14 -8.980 -8.387 8.237 1.00 0.00 C ATOM 240 CD GLN A 14 -10.245 -7.861 8.888 1.00 0.00 C ATOM 241 OE1 GLN A 14 -11.183 -8.615 9.144 1.00 0.00 O ATOM 242 NE2 GLN A 14 -10.278 -6.561 9.162 1.00 0.00 N ATOM 0 H GLN A 14 -7.486 -7.325 4.380 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.078 -9.152 6.674 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.394 -6.793 6.931 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.709 -7.775 6.318 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.032 -9.474 8.177 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.124 -8.143 8.867 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.478 -5.971 8.933 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.103 -6.153 9.601 1.00 0.00 H new ATOM 251 N GLN A 15 -8.570 -10.903 5.665 1.00 0.00 N ATOM 252 CA GLN A 15 -9.251 -11.982 4.948 1.00 0.00 C ATOM 253 C GLN A 15 -10.042 -12.870 5.903 1.00 0.00 C ATOM 254 O GLN A 15 -9.571 -13.201 6.990 1.00 0.00 O ATOM 255 CB GLN A 15 -8.229 -12.825 4.181 1.00 0.00 C ATOM 256 CG GLN A 15 -8.821 -14.053 3.494 1.00 0.00 C ATOM 257 CD GLN A 15 -8.680 -14.021 1.982 1.00 0.00 C ATOM 258 OE1 GLN A 15 -7.561 -13.496 1.489 1.00 0.00 O flip ATOM 259 NE2 GLN A 15 -9.570 -14.474 1.259 1.00 0.00 N flip ATOM 0 H GLN A 15 -8.161 -11.181 6.557 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.952 -11.530 4.246 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.748 -12.198 3.430 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.450 -13.149 4.871 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.331 -14.948 3.879 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.877 -14.132 3.752 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.414 -14.868 1.675 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.463 -14.454 0.245 1.00 0.00 H new ATOM 268 N HIS A 16 -11.247 -13.259 5.485 1.00 0.00 N ATOM 269 CA HIS A 16 -12.096 -14.118 6.306 1.00 0.00 C ATOM 270 C HIS A 16 -12.768 -15.194 5.454 1.00 0.00 C ATOM 271 O HIS A 16 -13.525 -14.880 4.539 1.00 0.00 O ATOM 272 CB HIS A 16 -13.155 -13.272 7.017 1.00 0.00 C ATOM 273 CG HIS A 16 -13.888 -14.000 8.100 1.00 0.00 C ATOM 274 ND1 HIS A 16 -14.725 -15.071 7.863 1.00 0.00 N ATOM 275 CD2 HIS A 16 -13.908 -13.801 9.439 1.00 0.00 C ATOM 276 CE1 HIS A 16 -15.229 -15.495 9.008 1.00 0.00 C ATOM 277 NE2 HIS A 16 -14.749 -14.741 9.979 1.00 0.00 N ATOM 0 H HIS A 16 -11.654 -12.994 4.588 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.472 -14.614 7.049 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -12.675 -12.392 7.445 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.875 -12.916 6.281 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -13.363 -13.043 9.982 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -15.917 -16.319 9.129 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -14.968 -14.841 10.970 1.00 0.00 H new ATOM 286 N ILE A 17 -12.500 -16.462 5.766 1.00 0.00 N ATOM 287 CA ILE A 17 -13.092 -17.571 5.021 1.00 0.00 C ATOM 288 C ILE A 17 -14.035 -18.386 5.903 1.00 0.00 C ATOM 289 O ILE A 17 -13.594 -19.225 6.691 1.00 0.00 O ATOM 290 CB ILE A 17 -12.011 -18.508 4.430 1.00 0.00 C ATOM 291 CG1 ILE A 17 -10.815 -17.700 3.906 1.00 0.00 C ATOM 292 CG2 ILE A 17 -12.605 -19.368 3.320 1.00 0.00 C ATOM 293 CD1 ILE A 17 -9.666 -18.560 3.423 1.00 0.00 C ATOM 0 H ILE A 17 -11.880 -16.745 6.525 1.00 0.00 H new ATOM 0 HA ILE A 17 -13.657 -17.129 4.200 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.654 -19.164 5.224 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.149 -17.062 3.088 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.457 -17.042 4.698 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.833 -20.022 2.914 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -13.417 -19.973 3.723 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.990 -18.725 2.528 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.858 -17.921 3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.305 -19.179 4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.007 -19.200 2.609 1.00 0.00 H new ATOM 476 N VAL A 29 -16.895 -19.786 0.253 1.00 0.00 N ATOM 477 CA VAL A 29 -16.638 -18.382 -0.070 1.00 0.00 C ATOM 478 C VAL A 29 -15.694 -17.742 0.953 1.00 0.00 C ATOM 479 O VAL A 29 -15.724 -18.085 2.138 1.00 0.00 O ATOM 480 CB VAL A 29 -17.952 -17.568 -0.128 1.00 0.00 C ATOM 481 CG1 VAL A 29 -17.695 -16.164 -0.657 1.00 0.00 C ATOM 482 CG2 VAL A 29 -18.993 -18.282 -0.982 1.00 0.00 C ATOM 0 HA VAL A 29 -16.166 -18.364 -1.052 1.00 0.00 H new ATOM 0 HB VAL A 29 -18.343 -17.484 0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.633 -15.610 -0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -16.993 -15.651 -0.000 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -17.275 -16.225 -1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -19.909 -17.692 -1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -18.610 -18.404 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -19.205 -19.262 -0.554 1.00 0.00 H new ATOM 492 N ARG A 30 -14.859 -16.810 0.485 1.00 0.00 N ATOM 493 CA ARG A 30 -13.904 -16.120 1.357 1.00 0.00 C ATOM 494 C ARG A 30 -14.040 -14.600 1.237 1.00 0.00 C ATOM 495 O ARG A 30 -14.664 -14.093 0.309 1.00 0.00 O ATOM 496 CB ARG A 30 -12.462 -16.551 1.037 1.00 0.00 C ATOM 497 CG ARG A 30 -12.176 -16.762 -0.447 1.00 0.00 C ATOM 498 CD ARG A 30 -11.494 -18.100 -0.702 1.00 0.00 C ATOM 499 NE ARG A 30 -11.593 -18.518 -2.102 1.00 0.00 N ATOM 500 CZ ARG A 30 -10.782 -18.087 -3.072 1.00 0.00 C ATOM 501 NH1 ARG A 30 -9.811 -17.217 -2.807 1.00 0.00 N ATOM 502 NH2 ARG A 30 -10.942 -18.529 -4.317 1.00 0.00 N ATOM 0 H ARG A 30 -14.825 -16.516 -0.491 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.133 -16.402 2.385 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.777 -15.795 1.422 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.247 -17.477 1.570 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.109 -16.716 -1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.543 -15.954 -0.815 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.443 -18.029 -0.420 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.944 -18.862 -0.065 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.328 -19.180 -2.352 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.680 -16.873 -1.856 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.197 -16.894 -3.555 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.683 -19.196 -4.530 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.323 -18.200 -5.058 1.00 0.00 H new ATOM 516 N GLN A 31 -13.452 -13.883 2.189 1.00 0.00 N ATOM 517 CA GLN A 31 -13.504 -12.423 2.197 1.00 0.00 C ATOM 518 C GLN A 31 -12.098 -11.837 2.115 1.00 0.00 C ATOM 519 O GLN A 31 -11.137 -12.444 2.585 1.00 0.00 O ATOM 520 CB GLN A 31 -14.217 -11.917 3.453 1.00 0.00 C ATOM 521 CG GLN A 31 -15.117 -10.719 3.192 1.00 0.00 C ATOM 522 CD GLN A 31 -14.798 -9.528 4.083 1.00 0.00 C ATOM 523 OE1 GLN A 31 -15.668 -9.020 4.788 1.00 0.00 O ATOM 524 NE2 GLN A 31 -13.550 -9.073 4.050 1.00 0.00 N ATOM 0 H GLN A 31 -12.932 -14.289 2.967 1.00 0.00 H new ATOM 0 HA GLN A 31 -14.068 -12.096 1.323 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.814 -12.726 3.875 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.472 -11.647 4.201 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.021 -10.420 2.148 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -16.156 -11.012 3.345 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.858 -9.524 3.451 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.284 -8.273 4.624 1.00 0.00 H new ATOM 533 N TRP A 32 -11.987 -10.662 1.503 1.00 0.00 N ATOM 534 CA TRP A 32 -10.696 -9.993 1.342 1.00 0.00 C ATOM 535 C TRP A 32 -10.838 -8.472 1.437 1.00 0.00 C ATOM 536 O TRP A 32 -11.825 -7.900 0.975 1.00 0.00 O ATOM 537 CB TRP A 32 -10.061 -10.379 -0.001 1.00 0.00 C ATOM 538 CG TRP A 32 -10.996 -10.268 -1.172 1.00 0.00 C ATOM 539 CD1 TRP A 32 -12.113 -11.019 -1.405 1.00 0.00 C ATOM 540 CD2 TRP A 32 -10.891 -9.355 -2.271 1.00 0.00 C ATOM 541 NE1 TRP A 32 -12.712 -10.626 -2.577 1.00 0.00 N ATOM 542 CE2 TRP A 32 -11.981 -9.606 -3.128 1.00 0.00 C ATOM 543 CE3 TRP A 32 -9.985 -8.346 -2.613 1.00 0.00 C ATOM 544 CZ2 TRP A 32 -12.184 -8.887 -4.305 1.00 0.00 C ATOM 545 CZ3 TRP A 32 -10.188 -7.634 -3.782 1.00 0.00 C ATOM 546 CH2 TRP A 32 -11.280 -7.909 -4.615 1.00 0.00 C ATOM 0 H TRP A 32 -12.777 -10.151 1.109 1.00 0.00 H new ATOM 0 HA TRP A 32 -10.047 -10.322 2.154 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.195 -9.741 -0.179 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.695 -11.404 0.063 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.473 -11.808 -0.761 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -13.562 -11.028 -2.973 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -9.141 -8.126 -1.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -13.025 -9.095 -4.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -9.493 -6.854 -4.056 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -11.411 -7.336 -5.521 1.00 0.00 H new ATOM 557 N SER A 33 -9.839 -7.827 2.045 1.00 0.00 N ATOM 558 CA SER A 33 -9.842 -6.374 2.211 1.00 0.00 C ATOM 559 C SER A 33 -8.469 -5.789 1.883 1.00 0.00 C ATOM 560 O SER A 33 -7.468 -6.166 2.496 1.00 0.00 O ATOM 561 CB SER A 33 -10.236 -6.006 3.646 1.00 0.00 C ATOM 562 OG SER A 33 -11.262 -6.855 4.136 1.00 0.00 O ATOM 0 H SER A 33 -9.017 -8.291 2.431 1.00 0.00 H new ATOM 0 HA SER A 33 -10.573 -5.953 1.521 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.363 -6.077 4.294 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.573 -4.970 3.678 1.00 0.00 H new ATOM 0 HG SER A 33 -11.490 -6.596 5.053 1.00 0.00 H new ATOM 568 N ILE A 34 -8.423 -4.870 0.915 1.00 0.00 N ATOM 569 CA ILE A 34 -7.161 -4.242 0.513 1.00 0.00 C ATOM 570 C ILE A 34 -7.284 -2.719 0.465 1.00 0.00 C ATOM 571 O ILE A 34 -8.055 -2.176 -0.329 1.00 0.00 O ATOM 572 CB ILE A 34 -6.682 -4.743 -0.869 1.00 0.00 C ATOM 573 CG1 ILE A 34 -6.777 -6.271 -0.964 1.00 0.00 C ATOM 574 CG2 ILE A 34 -5.254 -4.278 -1.139 1.00 0.00 C ATOM 575 CD1 ILE A 34 -5.873 -7.003 0.009 1.00 0.00 C ATOM 0 H ILE A 34 -9.240 -4.545 0.397 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.428 -4.525 1.269 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.337 -4.317 -1.629 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.809 -6.573 -0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.527 -6.579 -1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.932 -4.639 -2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.217 -3.189 -1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.591 -4.673 -0.370 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.996 -8.078 -0.118 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.835 -6.731 -0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.137 -6.726 1.030 1.00 0.00 H new ATOM 587 N GLU A 35 -6.508 -2.034 1.309 1.00 0.00 N ATOM 588 CA GLU A 35 -6.520 -0.572 1.350 1.00 0.00 C ATOM 589 C GLU A 35 -5.098 -0.011 1.397 1.00 0.00 C ATOM 590 O GLU A 35 -4.188 -0.643 1.937 1.00 0.00 O ATOM 591 CB GLU A 35 -7.330 -0.066 2.549 1.00 0.00 C ATOM 592 CG GLU A 35 -6.750 -0.462 3.901 1.00 0.00 C ATOM 593 CD GLU A 35 -7.708 -0.207 5.049 1.00 0.00 C ATOM 594 OE1 GLU A 35 -8.871 -0.656 4.969 1.00 0.00 O ATOM 595 OE2 GLU A 35 -7.292 0.442 6.034 1.00 0.00 O ATOM 0 H GLU A 35 -5.865 -2.468 1.971 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.997 -0.219 0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.395 1.021 2.498 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.347 -0.450 2.475 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.486 -1.519 3.882 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.828 0.094 4.073 1.00 0.00 H new ATOM 602 N ILE A 36 -4.918 1.182 0.823 1.00 0.00 N ATOM 603 CA ILE A 36 -3.611 1.839 0.788 1.00 0.00 C ATOM 604 C ILE A 36 -3.758 3.362 0.733 1.00 0.00 C ATOM 605 O ILE A 36 -4.505 3.894 -0.089 1.00 0.00 O ATOM 606 CB ILE A 36 -2.769 1.361 -0.419 1.00 0.00 C ATOM 607 CG1 ILE A 36 -1.400 2.044 -0.420 1.00 0.00 C ATOM 608 CG2 ILE A 36 -3.497 1.622 -1.734 1.00 0.00 C ATOM 609 CD1 ILE A 36 -0.482 1.547 -1.513 1.00 0.00 C ATOM 0 H ILE A 36 -5.665 1.713 0.375 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.094 1.564 1.708 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.622 0.285 -0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.539 3.119 -0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.922 1.884 0.546 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.882 1.276 -2.565 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.446 1.086 -1.737 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.684 2.691 -1.841 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.471 2.073 -1.455 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.314 0.477 -1.388 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.940 1.731 -2.485 1.00 0.00 H new ATOM 621 N VAL A 37 -3.034 4.059 1.612 1.00 0.00 N ATOM 622 CA VAL A 37 -3.075 5.519 1.660 1.00 0.00 C ATOM 623 C VAL A 37 -1.672 6.100 1.834 1.00 0.00 C ATOM 624 O VAL A 37 -0.996 5.820 2.826 1.00 0.00 O ATOM 625 CB VAL A 37 -3.990 6.030 2.799 1.00 0.00 C ATOM 626 CG1 VAL A 37 -5.453 5.875 2.414 1.00 0.00 C ATOM 627 CG2 VAL A 37 -3.699 5.307 4.110 1.00 0.00 C ATOM 0 H VAL A 37 -2.412 3.634 2.300 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.488 5.855 0.709 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.780 7.089 2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.083 6.239 3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.655 6.452 1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.671 4.823 2.229 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.358 5.689 4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.870 4.238 3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.661 5.477 4.397 1.00 0.00 H new ATOM 637 N LEU A 38 -1.236 6.902 0.858 1.00 0.00 N ATOM 638 CA LEU A 38 0.091 7.515 0.900 1.00 0.00 C ATOM 639 C LEU A 38 0.016 9.020 0.644 1.00 0.00 C ATOM 640 O LEU A 38 -0.779 9.481 -0.175 1.00 0.00 O ATOM 641 CB LEU A 38 1.013 6.853 -0.131 1.00 0.00 C ATOM 642 CG LEU A 38 2.415 7.458 -0.247 1.00 0.00 C ATOM 643 CD1 LEU A 38 3.125 7.426 1.100 1.00 0.00 C ATOM 644 CD2 LEU A 38 3.228 6.716 -1.298 1.00 0.00 C ATOM 0 H LEU A 38 -1.783 7.140 0.031 1.00 0.00 H new ATOM 0 HA LEU A 38 0.499 7.361 1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.112 5.797 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.532 6.904 -1.108 1.00 0.00 H new ATOM 0 HG LEU A 38 2.317 8.498 -0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.120 7.860 0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.552 8.001 1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.213 6.394 1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.222 7.158 -1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.317 5.667 -1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.729 6.791 -2.264 1.00 0.00 H new ATOM 656 N LEU A 39 0.854 9.777 1.354 1.00 0.00 N ATOM 657 CA LEU A 39 0.897 11.230 1.212 1.00 0.00 C ATOM 658 C LEU A 39 2.265 11.693 0.719 1.00 0.00 C ATOM 659 O LEU A 39 3.278 11.043 0.972 1.00 0.00 O ATOM 660 CB LEU A 39 0.578 11.893 2.552 1.00 0.00 C ATOM 661 CG LEU A 39 0.109 13.347 2.463 1.00 0.00 C ATOM 662 CD1 LEU A 39 -0.881 13.645 3.575 1.00 0.00 C ATOM 663 CD2 LEU A 39 1.293 14.306 2.524 1.00 0.00 C ATOM 0 H LEU A 39 1.514 9.404 2.036 1.00 0.00 H new ATOM 0 HA LEU A 39 0.150 11.522 0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.194 11.309 3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.468 11.853 3.180 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.389 13.491 1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.208 14.682 3.502 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.743 12.985 3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.403 13.482 4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.933 15.333 2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.826 14.167 3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.968 14.104 1.692 1.00 0.00 H new ATOM 675 N ASP A 40 2.287 12.829 0.024 1.00 0.00 N ATOM 676 CA ASP A 40 3.529 13.397 -0.505 1.00 0.00 C ATOM 677 C ASP A 40 3.277 14.742 -1.195 1.00 0.00 C ATOM 678 O ASP A 40 4.147 15.616 -1.194 1.00 0.00 O ATOM 679 CB ASP A 40 4.194 12.419 -1.474 1.00 0.00 C ATOM 680 CG ASP A 40 3.331 12.099 -2.683 1.00 0.00 C ATOM 681 OD1 ASP A 40 3.449 12.816 -3.700 1.00 0.00 O ATOM 682 OD2 ASP A 40 2.551 11.125 -2.617 1.00 0.00 O ATOM 0 H ASP A 40 1.454 13.378 -0.188 1.00 0.00 H new ATOM 0 HA ASP A 40 4.201 13.571 0.336 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.141 12.839 -1.812 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.426 11.494 -0.946 1.00 0.00 H new ATOM 687 N ASP A 41 2.085 14.903 -1.779 1.00 0.00 N ATOM 688 CA ASP A 41 1.709 16.146 -2.461 1.00 0.00 C ATOM 689 C ASP A 41 1.886 17.370 -1.547 1.00 0.00 C ATOM 690 O ASP A 41 2.126 18.477 -2.030 1.00 0.00 O ATOM 691 CB ASP A 41 0.257 16.080 -2.964 1.00 0.00 C ATOM 692 CG ASP A 41 -0.730 15.535 -1.940 1.00 0.00 C ATOM 693 OD1 ASP A 41 -0.544 15.776 -0.727 1.00 0.00 O ATOM 694 OD2 ASP A 41 -1.697 14.868 -2.356 1.00 0.00 O ATOM 0 H ASP A 41 1.361 14.185 -1.793 1.00 0.00 H new ATOM 0 HA ASP A 41 2.377 16.256 -3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.059 17.080 -3.262 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.221 15.455 -3.856 1.00 0.00 H new ATOM 699 N GLU A 42 1.770 17.164 -0.230 1.00 0.00 N ATOM 700 CA GLU A 42 1.924 18.248 0.735 1.00 0.00 C ATOM 701 C GLU A 42 3.396 18.605 0.910 1.00 0.00 C ATOM 702 O GLU A 42 3.735 19.765 1.146 1.00 0.00 O ATOM 703 CB GLU A 42 1.327 17.852 2.090 1.00 0.00 C ATOM 704 CG GLU A 42 0.045 18.594 2.433 1.00 0.00 C ATOM 705 CD GLU A 42 0.303 19.947 3.068 1.00 0.00 C ATOM 706 OE1 GLU A 42 0.733 20.871 2.347 1.00 0.00 O ATOM 707 OE2 GLU A 42 0.073 20.084 4.289 1.00 0.00 O ATOM 0 H GLU A 42 1.570 16.255 0.188 1.00 0.00 H new ATOM 0 HA GLU A 42 1.390 19.118 0.352 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.127 16.780 2.090 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.064 18.039 2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.545 18.729 1.527 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.551 17.986 3.113 1.00 0.00 H new ATOM 714 N GLY A 43 4.266 17.601 0.799 1.00 0.00 N ATOM 715 CA GLY A 43 5.684 17.834 0.954 1.00 0.00 C ATOM 716 C GLY A 43 6.308 18.500 -0.257 1.00 0.00 C ATOM 717 O GLY A 43 6.634 19.687 -0.220 1.00 0.00 O ATOM 0 H GLY A 43 4.009 16.633 0.605 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.851 18.458 1.832 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.185 16.884 1.139 1.00 0.00 H new ATOM 721 N LYS A 44 6.484 17.733 -1.330 1.00 0.00 N ATOM 722 CA LYS A 44 7.088 18.255 -2.556 1.00 0.00 C ATOM 723 C LYS A 44 6.241 17.934 -3.787 1.00 0.00 C ATOM 724 O LYS A 44 5.985 18.811 -4.612 1.00 0.00 O ATOM 725 CB LYS A 44 8.502 17.691 -2.733 1.00 0.00 C ATOM 726 CG LYS A 44 9.594 18.720 -2.495 1.00 0.00 C ATOM 727 CD LYS A 44 10.979 18.085 -2.497 1.00 0.00 C ATOM 728 CE LYS A 44 12.032 19.034 -3.055 1.00 0.00 C ATOM 729 NZ LYS A 44 13.042 18.326 -3.896 1.00 0.00 N ATOM 0 H LYS A 44 6.218 16.749 -1.377 1.00 0.00 H new ATOM 0 HA LYS A 44 7.140 19.340 -2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.642 16.857 -2.045 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.603 17.292 -3.742 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.545 19.488 -3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.423 19.217 -1.540 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.249 17.798 -1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.960 17.172 -3.092 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.544 19.806 -3.650 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.537 19.538 -2.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.962 18.803 -3.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.131 17.340 -3.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.738 18.341 -4.890 1.00 0.00 H new ATOM 743 N GLU A 45 5.823 16.671 -3.910 1.00 0.00 N ATOM 744 CA GLU A 45 5.015 16.227 -5.047 1.00 0.00 C ATOM 745 C GLU A 45 5.836 16.176 -6.344 1.00 0.00 C ATOM 746 O GLU A 45 5.285 15.940 -7.422 1.00 0.00 O ATOM 747 CB GLU A 45 3.798 17.143 -5.235 1.00 0.00 C ATOM 748 CG GLU A 45 2.649 16.477 -5.976 1.00 0.00 C ATOM 749 CD GLU A 45 1.528 17.441 -6.313 1.00 0.00 C ATOM 750 OE1 GLU A 45 1.794 18.442 -7.012 1.00 0.00 O ATOM 751 OE2 GLU A 45 0.381 17.194 -5.883 1.00 0.00 O ATOM 0 H GLU A 45 6.032 15.937 -3.233 1.00 0.00 H new ATOM 0 HA GLU A 45 4.673 15.216 -4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.447 17.474 -4.257 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.105 18.035 -5.782 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.027 16.031 -6.896 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.252 15.665 -5.367 1.00 0.00 H new ATOM 758 N ILE A 46 7.153 16.388 -6.244 1.00 0.00 N ATOM 759 CA ILE A 46 8.024 16.355 -7.418 1.00 0.00 C ATOM 760 C ILE A 46 9.191 15.384 -7.221 1.00 0.00 C ATOM 761 O ILE A 46 9.767 15.303 -6.133 1.00 0.00 O ATOM 762 CB ILE A 46 8.585 17.756 -7.767 1.00 0.00 C ATOM 763 CG1 ILE A 46 8.959 18.538 -6.501 1.00 0.00 C ATOM 764 CG2 ILE A 46 7.578 18.542 -8.593 1.00 0.00 C ATOM 765 CD1 ILE A 46 10.244 18.072 -5.854 1.00 0.00 C ATOM 0 H ILE A 46 7.634 16.583 -5.366 1.00 0.00 H new ATOM 0 HA ILE A 46 7.404 16.012 -8.246 1.00 0.00 H new ATOM 0 HB ILE A 46 9.491 17.614 -8.356 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.052 19.595 -6.752 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.147 18.452 -5.779 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.988 19.524 -8.829 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.367 18.005 -9.518 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.656 18.662 -8.025 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.442 18.672 -4.966 1.00 0.00 H new ATOM 0 HD12 ILE A 46 10.149 17.024 -5.571 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.068 18.184 -6.559 1.00 0.00 H new ATOM 777 N PRO A 47 9.557 14.634 -8.280 1.00 0.00 N ATOM 778 CA PRO A 47 10.660 13.670 -8.232 1.00 0.00 C ATOM 779 C PRO A 47 12.024 14.334 -8.441 1.00 0.00 C ATOM 780 O PRO A 47 12.126 15.563 -8.469 1.00 0.00 O ATOM 781 CB PRO A 47 10.330 12.734 -9.395 1.00 0.00 C ATOM 782 CG PRO A 47 9.656 13.610 -10.397 1.00 0.00 C ATOM 783 CD PRO A 47 8.924 14.670 -9.614 1.00 0.00 C ATOM 0 HA PRO A 47 10.741 13.172 -7.266 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.231 12.279 -9.807 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.679 11.920 -9.077 1.00 0.00 H new ATOM 0 HG2 PRO A 47 10.384 14.060 -11.072 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.964 13.035 -11.012 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.027 15.651 -10.078 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.857 14.456 -9.555 1.00 0.00 H new ATOM 791 N ALA A 48 13.069 13.517 -8.589 1.00 0.00 N ATOM 792 CA ALA A 48 14.423 14.032 -8.798 1.00 0.00 C ATOM 793 C ALA A 48 15.339 12.965 -9.397 1.00 0.00 C ATOM 794 O ALA A 48 15.802 13.101 -10.531 1.00 0.00 O ATOM 795 CB ALA A 48 14.997 14.558 -7.488 1.00 0.00 C ATOM 0 H ALA A 48 13.004 12.499 -8.568 1.00 0.00 H new ATOM 0 HA ALA A 48 14.364 14.855 -9.511 1.00 0.00 H new ATOM 0 HB1 ALA A 48 16.004 14.938 -7.659 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.365 15.362 -7.111 1.00 0.00 H new ATOM 0 HB3 ALA A 48 15.033 13.751 -6.756 1.00 0.00 H new ATOM 801 N THR A 49 15.588 11.900 -8.635 1.00 0.00 N ATOM 802 CA THR A 49 16.442 10.806 -9.095 1.00 0.00 C ATOM 803 C THR A 49 15.588 9.672 -9.657 1.00 0.00 C ATOM 804 O THR A 49 15.750 9.278 -10.813 1.00 0.00 O ATOM 805 CB THR A 49 17.327 10.293 -7.954 1.00 0.00 C ATOM 806 OG1 THR A 49 17.970 11.371 -7.293 1.00 0.00 O ATOM 807 CG2 THR A 49 18.402 9.325 -8.412 1.00 0.00 C ATOM 0 H THR A 49 15.210 11.772 -7.696 1.00 0.00 H new ATOM 0 HA THR A 49 17.090 11.183 -9.886 1.00 0.00 H new ATOM 0 HB THR A 49 16.651 9.764 -7.282 1.00 0.00 H new ATOM 0 HG1 THR A 49 17.831 11.292 -6.326 1.00 0.00 H new ATOM 0 HG21 THR A 49 18.991 9.002 -7.553 1.00 0.00 H new ATOM 0 HG22 THR A 49 17.936 8.457 -8.879 1.00 0.00 H new ATOM 0 HG23 THR A 49 19.053 9.819 -9.133 1.00 0.00 H new ATOM 815 N ILE A 50 14.664 9.163 -8.838 1.00 0.00 N ATOM 816 CA ILE A 50 13.774 8.087 -9.265 1.00 0.00 C ATOM 817 C ILE A 50 12.318 8.401 -8.890 1.00 0.00 C ATOM 818 O ILE A 50 11.572 8.937 -9.710 1.00 0.00 O ATOM 819 CB ILE A 50 14.190 6.714 -8.680 1.00 0.00 C ATOM 820 CG1 ILE A 50 15.638 6.375 -9.060 1.00 0.00 C ATOM 821 CG2 ILE A 50 13.244 5.620 -9.165 1.00 0.00 C ATOM 822 CD1 ILE A 50 15.867 6.240 -10.553 1.00 0.00 C ATOM 0 H ILE A 50 14.515 9.479 -7.880 1.00 0.00 H new ATOM 0 HA ILE A 50 13.857 8.022 -10.350 1.00 0.00 H new ATOM 0 HB ILE A 50 14.127 6.774 -7.593 1.00 0.00 H new ATOM 0 HG12 ILE A 50 16.297 7.151 -8.670 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.922 5.442 -8.573 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.550 4.662 -8.745 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.228 5.849 -8.844 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.277 5.566 -10.253 1.00 0.00 H new ATOM 0 HD11 ILE A 50 16.914 6.000 -10.740 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.236 5.444 -10.947 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.616 7.179 -11.046 1.00 0.00 H new ATOM 834 N PHE A 51 11.920 8.068 -7.651 1.00 0.00 N ATOM 835 CA PHE A 51 10.557 8.316 -7.173 1.00 0.00 C ATOM 836 C PHE A 51 9.534 7.519 -7.985 1.00 0.00 C ATOM 837 O PHE A 51 9.169 7.899 -9.100 1.00 0.00 O ATOM 838 CB PHE A 51 10.227 9.816 -7.219 1.00 0.00 C ATOM 839 CG PHE A 51 8.834 10.161 -6.746 1.00 0.00 C ATOM 840 CD1 PHE A 51 7.750 10.081 -7.610 1.00 0.00 C ATOM 841 CD2 PHE A 51 8.613 10.572 -5.441 1.00 0.00 C ATOM 842 CE1 PHE A 51 6.477 10.401 -7.179 1.00 0.00 C ATOM 843 CE2 PHE A 51 7.340 10.895 -5.004 1.00 0.00 C ATOM 844 CZ PHE A 51 6.272 10.810 -5.874 1.00 0.00 C ATOM 0 H PHE A 51 12.528 7.625 -6.963 1.00 0.00 H new ATOM 0 HA PHE A 51 10.502 7.982 -6.137 1.00 0.00 H new ATOM 0 HB2 PHE A 51 10.950 10.354 -6.606 1.00 0.00 H new ATOM 0 HB3 PHE A 51 10.349 10.172 -8.242 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.904 9.765 -8.631 1.00 0.00 H new ATOM 0 HD2 PHE A 51 9.445 10.641 -4.756 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.642 10.332 -7.861 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.183 11.213 -3.984 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.278 11.062 -5.536 1.00 0.00 H new ATOM 854 N ASP A 52 9.073 6.409 -7.410 1.00 0.00 N ATOM 855 CA ASP A 52 8.088 5.547 -8.059 1.00 0.00 C ATOM 856 C ASP A 52 7.461 4.593 -7.047 1.00 0.00 C ATOM 857 O ASP A 52 8.071 3.594 -6.662 1.00 0.00 O ATOM 858 CB ASP A 52 8.732 4.753 -9.202 1.00 0.00 C ATOM 859 CG ASP A 52 7.750 4.437 -10.321 1.00 0.00 C ATOM 860 OD1 ASP A 52 6.953 5.328 -10.689 1.00 0.00 O ATOM 861 OD2 ASP A 52 7.780 3.297 -10.830 1.00 0.00 O ATOM 0 H ASP A 52 9.369 6.085 -6.489 1.00 0.00 H new ATOM 0 HA ASP A 52 7.305 6.181 -8.474 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.569 5.321 -9.608 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.140 3.822 -8.808 1.00 0.00 H new ATOM 866 N LYS A 53 6.244 4.909 -6.615 1.00 0.00 N ATOM 867 CA LYS A 53 5.543 4.079 -5.643 1.00 0.00 C ATOM 868 C LYS A 53 4.565 3.140 -6.346 1.00 0.00 C ATOM 869 O LYS A 53 3.494 3.558 -6.775 1.00 0.00 O ATOM 870 CB LYS A 53 4.803 4.965 -4.630 1.00 0.00 C ATOM 871 CG LYS A 53 5.716 5.900 -3.846 1.00 0.00 C ATOM 872 CD LYS A 53 5.871 7.253 -4.533 1.00 0.00 C ATOM 873 CE LYS A 53 4.973 8.310 -3.904 1.00 0.00 C ATOM 874 NZ LYS A 53 5.574 8.899 -2.673 1.00 0.00 N ATOM 0 H LYS A 53 5.725 5.731 -6.922 1.00 0.00 H new ATOM 0 HA LYS A 53 6.275 3.473 -5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.057 5.559 -5.158 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.264 4.327 -3.929 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.312 6.046 -2.844 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.696 5.437 -3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.910 7.575 -4.472 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.630 7.154 -5.591 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.784 9.102 -4.629 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.008 7.866 -3.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.822 9.297 -2.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.080 8.159 -2.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.240 9.652 -2.938 1.00 0.00 H new ATOM 888 N VAL A 54 4.946 1.870 -6.468 1.00 0.00 N ATOM 889 CA VAL A 54 4.101 0.875 -7.131 1.00 0.00 C ATOM 890 C VAL A 54 3.399 -0.028 -6.117 1.00 0.00 C ATOM 891 O VAL A 54 3.964 -0.362 -5.073 1.00 0.00 O ATOM 892 CB VAL A 54 4.910 0.003 -8.118 1.00 0.00 C ATOM 893 CG1 VAL A 54 5.276 0.797 -9.364 1.00 0.00 C ATOM 894 CG2 VAL A 54 6.162 -0.558 -7.453 1.00 0.00 C ATOM 0 H VAL A 54 5.832 1.505 -6.118 1.00 0.00 H new ATOM 0 HA VAL A 54 3.350 1.432 -7.691 1.00 0.00 H new ATOM 0 HB VAL A 54 4.281 -0.836 -8.417 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.845 0.164 -10.045 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.366 1.137 -9.859 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.879 1.660 -9.081 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.713 -1.168 -8.170 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.793 0.264 -7.115 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.876 -1.172 -6.599 1.00 0.00 H new ATOM 904 N ILE A 55 2.158 -0.410 -6.430 1.00 0.00 N ATOM 905 CA ILE A 55 1.369 -1.266 -5.543 1.00 0.00 C ATOM 906 C ILE A 55 0.864 -2.513 -6.270 1.00 0.00 C ATOM 907 O ILE A 55 0.560 -2.473 -7.464 1.00 0.00 O ATOM 908 CB ILE A 55 0.157 -0.510 -4.952 1.00 0.00 C ATOM 909 CG1 ILE A 55 0.544 0.918 -4.554 1.00 0.00 C ATOM 910 CG2 ILE A 55 -0.407 -1.266 -3.755 1.00 0.00 C ATOM 911 CD1 ILE A 55 -0.542 1.937 -4.825 1.00 0.00 C ATOM 0 H ILE A 55 1.680 -0.140 -7.289 1.00 0.00 H new ATOM 0 HA ILE A 55 2.035 -1.565 -4.734 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.615 -0.449 -5.719 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.791 0.936 -3.493 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.445 1.206 -5.096 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.260 -0.721 -3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.727 -2.259 -4.070 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.362 -1.359 -2.988 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.198 2.925 -4.519 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.774 1.947 -5.890 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.437 1.673 -4.262 1.00 0.00 H new ATOM 923 N TYR A 56 0.772 -3.617 -5.530 1.00 0.00 N ATOM 924 CA TYR A 56 0.301 -4.886 -6.081 1.00 0.00 C ATOM 925 C TYR A 56 -0.521 -5.656 -5.051 1.00 0.00 C ATOM 926 O TYR A 56 -0.167 -5.704 -3.870 1.00 0.00 O ATOM 927 CB TYR A 56 1.485 -5.739 -6.543 1.00 0.00 C ATOM 928 CG TYR A 56 1.627 -5.829 -8.047 1.00 0.00 C ATOM 929 CD1 TYR A 56 2.189 -4.787 -8.774 1.00 0.00 C ATOM 930 CD2 TYR A 56 1.212 -6.960 -8.738 1.00 0.00 C ATOM 931 CE1 TYR A 56 2.327 -4.866 -10.146 1.00 0.00 C ATOM 932 CE2 TYR A 56 1.344 -7.047 -10.110 1.00 0.00 C ATOM 933 CZ TYR A 56 1.906 -6.000 -10.809 1.00 0.00 C ATOM 934 OH TYR A 56 2.045 -6.087 -12.175 1.00 0.00 O ATOM 0 H TYR A 56 1.019 -3.657 -4.541 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.336 -4.665 -6.938 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.403 -5.325 -6.125 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.375 -6.745 -6.138 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.524 -3.900 -8.257 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.779 -7.786 -8.193 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.762 -4.045 -10.696 1.00 0.00 H new ATOM 0 HE2 TYR A 56 1.009 -7.931 -10.633 1.00 0.00 H new ATOM 0 HH TYR A 56 1.700 -6.950 -12.485 1.00 0.00 H new ATOM 944 N HIS A 57 -1.616 -6.261 -5.508 1.00 0.00 N ATOM 945 CA HIS A 57 -2.494 -7.037 -4.636 1.00 0.00 C ATOM 946 C HIS A 57 -3.417 -7.929 -5.461 1.00 0.00 C ATOM 947 O HIS A 57 -4.134 -7.445 -6.340 1.00 0.00 O ATOM 948 CB HIS A 57 -3.315 -6.113 -3.725 1.00 0.00 C ATOM 949 CG HIS A 57 -4.001 -4.992 -4.450 1.00 0.00 C ATOM 950 ND1 HIS A 57 -5.222 -4.928 -5.033 1.00 0.00 N flip ATOM 951 CD2 HIS A 57 -3.428 -3.751 -4.629 1.00 0.00 C flip ATOM 952 CE1 HIS A 57 -5.362 -3.664 -5.547 1.00 0.00 C flip ATOM 953 NE2 HIS A 57 -4.266 -2.973 -5.289 1.00 0.00 N flip ATOM 0 H HIS A 57 -1.917 -6.228 -6.482 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.871 -7.672 -4.006 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -4.065 -6.707 -3.203 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.657 -5.691 -2.965 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -5.910 -5.680 -5.081 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.447 -3.461 -4.283 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -6.227 -3.294 -6.077 1.00 0.00 H new ATOM 962 N LEU A 58 -3.384 -9.237 -5.181 1.00 0.00 N ATOM 963 CA LEU A 58 -4.207 -10.210 -5.904 1.00 0.00 C ATOM 964 C LEU A 58 -3.754 -10.329 -7.359 1.00 0.00 C ATOM 965 O LEU A 58 -2.966 -9.512 -7.842 1.00 0.00 O ATOM 966 CB LEU A 58 -5.691 -9.819 -5.846 1.00 0.00 C ATOM 967 CG LEU A 58 -6.573 -10.730 -4.987 1.00 0.00 C ATOM 968 CD1 LEU A 58 -7.725 -9.940 -4.384 1.00 0.00 C ATOM 969 CD2 LEU A 58 -7.099 -11.899 -5.809 1.00 0.00 C ATOM 0 H LEU A 58 -2.794 -9.646 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.082 -11.178 -5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.767 -8.801 -5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.087 -9.809 -6.861 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.966 -11.129 -4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.342 -10.602 -3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.329 -9.139 -3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.330 -9.512 -5.183 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.723 -12.534 -5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.690 -11.521 -6.643 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.261 -12.480 -6.193 1.00 0.00 H new ATOM 1071 N PRO A 65 -2.890 -4.230 -11.580 1.00 0.00 N ATOM 1072 CA PRO A 65 -1.722 -3.539 -11.013 1.00 0.00 C ATOM 1073 C PRO A 65 -2.044 -2.112 -10.574 1.00 0.00 C ATOM 1074 O PRO A 65 -2.810 -1.407 -11.234 1.00 0.00 O ATOM 1075 CB PRO A 65 -0.709 -3.531 -12.165 1.00 0.00 C ATOM 1076 CG PRO A 65 -1.149 -4.626 -13.073 1.00 0.00 C ATOM 1077 CD PRO A 65 -2.644 -4.673 -12.963 1.00 0.00 C ATOM 0 HA PRO A 65 -1.357 -4.036 -10.114 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.704 -2.570 -12.679 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.304 -3.703 -11.801 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.839 -4.431 -14.100 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.705 -5.578 -12.781 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.123 -4.015 -13.688 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.030 -5.677 -13.140 1.00 0.00 H new ATOM 1085 N ASN A 66 -1.451 -1.693 -9.454 1.00 0.00 N ATOM 1086 CA ASN A 66 -1.676 -0.352 -8.921 1.00 0.00 C ATOM 1087 C ASN A 66 -0.391 0.475 -8.952 1.00 0.00 C ATOM 1088 O ASN A 66 0.714 -0.071 -8.948 1.00 0.00 O ATOM 1089 CB ASN A 66 -2.230 -0.434 -7.497 1.00 0.00 C ATOM 1090 CG ASN A 66 -3.744 -0.324 -7.459 1.00 0.00 C ATOM 1091 OD1 ASN A 66 -4.295 0.651 -6.950 1.00 0.00 O ATOM 1092 ND2 ASN A 66 -4.428 -1.329 -8.000 1.00 0.00 N ATOM 0 H ASN A 66 -0.812 -2.264 -8.901 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.410 0.148 -9.554 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.925 -1.378 -7.045 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.795 0.363 -6.894 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.448 -1.309 -8.003 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.933 -2.120 -8.412 1.00 0.00 H new ATOM 1099 N ARG A 67 -0.547 1.801 -8.989 1.00 0.00 N ATOM 1100 CA ARG A 67 0.593 2.718 -9.033 1.00 0.00 C ATOM 1101 C ARG A 67 0.318 3.985 -8.222 1.00 0.00 C ATOM 1102 O ARG A 67 -0.834 4.386 -8.049 1.00 0.00 O ATOM 1103 CB ARG A 67 0.912 3.104 -10.483 1.00 0.00 C ATOM 1104 CG ARG A 67 1.293 1.925 -11.369 1.00 0.00 C ATOM 1105 CD ARG A 67 2.660 1.368 -11.005 1.00 0.00 C ATOM 1106 NE ARG A 67 3.532 1.239 -12.174 1.00 0.00 N ATOM 1107 CZ ARG A 67 4.247 2.244 -12.693 1.00 0.00 C ATOM 1108 NH1 ARG A 67 4.183 3.463 -12.165 1.00 0.00 N ATOM 1109 NH2 ARG A 67 5.021 2.028 -13.752 1.00 0.00 N ATOM 0 H ARG A 67 -1.456 2.264 -8.989 1.00 0.00 H new ATOM 0 HA ARG A 67 1.447 2.202 -8.595 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.045 3.604 -10.914 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.729 3.825 -10.485 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.543 1.140 -11.273 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.294 2.239 -12.413 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.133 2.020 -10.271 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.540 0.393 -10.534 1.00 0.00 H new ATOM 0 HE ARG A 67 3.599 0.325 -12.621 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.585 3.638 -11.357 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.732 4.223 -12.568 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.069 1.098 -14.167 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.567 2.793 -14.149 1.00 0.00 H new ATOM 1123 N THR A 68 1.389 4.615 -7.739 1.00 0.00 N ATOM 1124 CA THR A 68 1.283 5.843 -6.954 1.00 0.00 C ATOM 1125 C THR A 68 2.365 6.843 -7.362 1.00 0.00 C ATOM 1126 O THR A 68 3.562 6.579 -7.210 1.00 0.00 O ATOM 1127 CB THR A 68 1.391 5.536 -5.455 1.00 0.00 C ATOM 1128 OG1 THR A 68 0.277 4.780 -5.017 1.00 0.00 O ATOM 1129 CG2 THR A 68 1.472 6.775 -4.585 1.00 0.00 C ATOM 0 H THR A 68 2.346 4.291 -7.880 1.00 0.00 H new ATOM 0 HA THR A 68 0.307 6.286 -7.153 1.00 0.00 H new ATOM 0 HB THR A 68 2.320 4.977 -5.346 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.245 4.782 -4.038 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.546 6.480 -3.538 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.351 7.357 -4.862 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.577 7.380 -4.729 1.00 0.00 H new ATOM 1137 N PHE A 69 1.934 7.994 -7.880 1.00 0.00 N ATOM 1138 CA PHE A 69 2.854 9.044 -8.311 1.00 0.00 C ATOM 1139 C PHE A 69 2.519 10.372 -7.633 1.00 0.00 C ATOM 1140 O PHE A 69 3.374 10.984 -6.993 1.00 0.00 O ATOM 1141 CB PHE A 69 2.807 9.200 -9.833 1.00 0.00 C ATOM 1142 CG PHE A 69 4.064 9.777 -10.417 1.00 0.00 C ATOM 1143 CD1 PHE A 69 5.179 8.979 -10.617 1.00 0.00 C ATOM 1144 CD2 PHE A 69 4.129 11.115 -10.773 1.00 0.00 C ATOM 1145 CE1 PHE A 69 6.337 9.506 -11.155 1.00 0.00 C ATOM 1146 CE2 PHE A 69 5.284 11.647 -11.311 1.00 0.00 C ATOM 1147 CZ PHE A 69 6.389 10.841 -11.505 1.00 0.00 C ATOM 0 H PHE A 69 0.948 8.222 -8.011 1.00 0.00 H new ATOM 0 HA PHE A 69 3.863 8.755 -8.018 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.621 8.225 -10.284 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.966 9.840 -10.098 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.142 7.933 -10.349 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.266 11.749 -10.628 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.201 8.875 -11.302 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.323 12.692 -11.580 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.292 11.254 -11.930 1.00 0.00 H new ATOM 1157 N THR A 70 1.263 10.805 -7.772 1.00 0.00 N ATOM 1158 CA THR A 70 0.808 12.052 -7.165 1.00 0.00 C ATOM 1159 C THR A 70 0.277 11.795 -5.756 1.00 0.00 C ATOM 1160 O THR A 70 0.878 12.224 -4.776 1.00 0.00 O ATOM 1161 CB THR A 70 -0.279 12.711 -8.026 1.00 0.00 C ATOM 1162 OG1 THR A 70 -1.166 11.737 -8.553 1.00 0.00 O ATOM 1163 CG2 THR A 70 0.276 13.505 -9.192 1.00 0.00 C ATOM 0 H THR A 70 0.546 10.308 -8.300 1.00 0.00 H new ATOM 0 HA THR A 70 1.659 12.731 -7.103 1.00 0.00 H new ATOM 0 HB THR A 70 -0.798 13.396 -7.355 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.851 12.179 -9.097 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.546 13.943 -9.758 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.922 14.299 -8.817 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.852 12.845 -9.841 1.00 0.00 H new ATOM 1171 N ASP A 71 -0.847 11.083 -5.669 1.00 0.00 N ATOM 1172 CA ASP A 71 -1.458 10.754 -4.380 1.00 0.00 C ATOM 1173 C ASP A 71 -2.752 9.948 -4.561 1.00 0.00 C ATOM 1174 O ASP A 71 -3.832 10.393 -4.169 1.00 0.00 O ATOM 1175 CB ASP A 71 -1.741 12.035 -3.584 1.00 0.00 C ATOM 1176 CG ASP A 71 -1.366 11.903 -2.118 1.00 0.00 C ATOM 1177 OD1 ASP A 71 -0.172 12.081 -1.792 1.00 0.00 O ATOM 1178 OD2 ASP A 71 -2.269 11.626 -1.299 1.00 0.00 O ATOM 0 H ASP A 71 -1.354 10.722 -6.477 1.00 0.00 H new ATOM 0 HA ASP A 71 -0.752 10.136 -3.825 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.186 12.863 -4.025 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.799 12.283 -3.664 1.00 0.00 H new ATOM 1183 N PRO A 72 -2.666 8.746 -5.177 1.00 0.00 N ATOM 1184 CA PRO A 72 -3.826 7.892 -5.416 1.00 0.00 C ATOM 1185 C PRO A 72 -4.059 6.863 -4.302 1.00 0.00 C ATOM 1186 O PRO A 72 -3.364 5.847 -4.230 1.00 0.00 O ATOM 1187 CB PRO A 72 -3.440 7.192 -6.715 1.00 0.00 C ATOM 1188 CG PRO A 72 -1.949 7.053 -6.649 1.00 0.00 C ATOM 1189 CD PRO A 72 -1.437 8.128 -5.711 1.00 0.00 C ATOM 0 HA PRO A 72 -4.757 8.458 -5.456 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.924 6.219 -6.799 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.744 7.775 -7.584 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.671 6.063 -6.287 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.508 7.166 -7.640 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.824 7.705 -4.915 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.819 8.856 -6.237 1.00 0.00 H new ATOM 1197 N PRO A 73 -5.050 7.106 -3.419 1.00 0.00 N ATOM 1198 CA PRO A 73 -5.372 6.192 -2.322 1.00 0.00 C ATOM 1199 C PRO A 73 -6.308 5.065 -2.759 1.00 0.00 C ATOM 1200 O PRO A 73 -6.735 5.009 -3.915 1.00 0.00 O ATOM 1201 CB PRO A 73 -6.074 7.102 -1.322 1.00 0.00 C ATOM 1202 CG PRO A 73 -6.766 8.123 -2.164 1.00 0.00 C ATOM 1203 CD PRO A 73 -5.937 8.287 -3.418 1.00 0.00 C ATOM 0 HA PRO A 73 -4.488 5.690 -1.929 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.784 6.546 -0.710 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.361 7.567 -0.641 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.778 7.801 -2.409 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.853 9.070 -1.631 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.564 8.316 -4.309 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.366 9.215 -3.400 1.00 0.00 H new ATOM 1211 N PHE A 74 -6.632 4.175 -1.821 1.00 0.00 N ATOM 1212 CA PHE A 74 -7.523 3.053 -2.095 1.00 0.00 C ATOM 1213 C PHE A 74 -7.956 2.375 -0.799 1.00 0.00 C ATOM 1214 O PHE A 74 -7.240 2.420 0.199 1.00 0.00 O ATOM 1215 CB PHE A 74 -6.839 2.036 -3.013 1.00 0.00 C ATOM 1216 CG PHE A 74 -7.768 1.414 -4.016 1.00 0.00 C ATOM 1217 CD1 PHE A 74 -8.507 2.206 -4.881 1.00 0.00 C ATOM 1218 CD2 PHE A 74 -7.900 0.037 -4.097 1.00 0.00 C ATOM 1219 CE1 PHE A 74 -9.362 1.637 -5.803 1.00 0.00 C ATOM 1220 CE2 PHE A 74 -8.754 -0.538 -5.017 1.00 0.00 C ATOM 1221 CZ PHE A 74 -9.485 0.263 -5.873 1.00 0.00 C ATOM 0 H PHE A 74 -6.288 4.212 -0.862 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.409 3.442 -2.597 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.022 2.528 -3.542 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.396 1.249 -2.403 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.413 3.281 -4.833 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.328 -0.594 -3.433 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -9.934 2.266 -6.469 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.850 -1.613 -5.067 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.151 -0.184 -6.596 1.00 0.00 H new ATOM 1231 N ARG A 75 -9.131 1.747 -0.820 1.00 0.00 N ATOM 1232 CA ARG A 75 -9.655 1.055 0.355 1.00 0.00 C ATOM 1233 C ARG A 75 -10.983 0.376 0.041 1.00 0.00 C ATOM 1234 O ARG A 75 -11.993 1.044 -0.193 1.00 0.00 O ATOM 1235 CB ARG A 75 -9.817 2.027 1.533 1.00 0.00 C ATOM 1236 CG ARG A 75 -10.575 3.307 1.194 1.00 0.00 C ATOM 1237 CD ARG A 75 -9.632 4.424 0.777 1.00 0.00 C ATOM 1238 NE ARG A 75 -9.964 5.697 1.420 1.00 0.00 N ATOM 1239 CZ ARG A 75 -9.620 6.016 2.672 1.00 0.00 C ATOM 1240 NH1 ARG A 75 -8.944 5.154 3.429 1.00 0.00 N ATOM 1241 NH2 ARG A 75 -9.955 7.203 3.169 1.00 0.00 N ATOM 0 H ARG A 75 -9.738 1.704 -1.639 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.936 0.286 0.638 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.337 1.515 2.342 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -8.828 2.293 1.908 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.283 3.109 0.389 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.157 3.626 2.059 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.609 4.147 1.030 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.671 4.545 -0.306 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.490 6.383 0.879 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.684 4.241 3.055 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.686 5.406 4.383 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.473 7.868 2.595 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.694 7.448 4.124 1.00 0.00 H new ATOM 1255 N ILE A 76 -10.977 -0.956 0.030 1.00 0.00 N ATOM 1256 CA ILE A 76 -12.186 -1.717 -0.262 1.00 0.00 C ATOM 1257 C ILE A 76 -12.093 -3.155 0.255 1.00 0.00 C ATOM 1258 O ILE A 76 -11.037 -3.786 0.186 1.00 0.00 O ATOM 1259 CB ILE A 76 -12.492 -1.721 -1.780 1.00 0.00 C ATOM 1260 CG1 ILE A 76 -13.996 -1.898 -2.013 1.00 0.00 C ATOM 1261 CG2 ILE A 76 -11.699 -2.806 -2.501 1.00 0.00 C ATOM 1262 CD1 ILE A 76 -14.831 -0.786 -1.410 1.00 0.00 C ATOM 0 H ILE A 76 -10.152 -1.526 0.219 1.00 0.00 H new ATOM 0 HA ILE A 76 -13.004 -1.221 0.261 1.00 0.00 H new ATOM 0 HB ILE A 76 -12.184 -0.761 -2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -14.187 -1.946 -3.085 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.313 -2.851 -1.590 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.936 -2.783 -3.565 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -10.632 -2.630 -2.363 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.962 -3.781 -2.092 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -15.886 -0.973 -1.611 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -14.668 -0.752 -0.333 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -14.541 0.167 -1.852 1.00 0.00 H new ATOM 1274 N GLU A 77 -13.216 -3.660 0.763 1.00 0.00 N ATOM 1275 CA GLU A 77 -13.287 -5.022 1.283 1.00 0.00 C ATOM 1276 C GLU A 77 -14.517 -5.741 0.732 1.00 0.00 C ATOM 1277 O GLU A 77 -15.653 -5.388 1.056 1.00 0.00 O ATOM 1278 CB GLU A 77 -13.307 -5.017 2.819 1.00 0.00 C ATOM 1279 CG GLU A 77 -14.482 -4.257 3.426 1.00 0.00 C ATOM 1280 CD GLU A 77 -14.286 -3.934 4.899 1.00 0.00 C ATOM 1281 OE1 GLU A 77 -13.629 -4.728 5.607 1.00 0.00 O ATOM 1282 OE2 GLU A 77 -14.798 -2.885 5.346 1.00 0.00 O ATOM 0 H GLU A 77 -14.093 -3.142 0.825 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.397 -5.560 0.956 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.332 -6.047 3.174 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.378 -4.578 3.182 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.631 -3.329 2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.390 -4.848 3.307 1.00 0.00 H new ATOM 1289 N GLU A 78 -14.281 -6.739 -0.117 1.00 0.00 N ATOM 1290 CA GLU A 78 -15.364 -7.500 -0.732 1.00 0.00 C ATOM 1291 C GLU A 78 -15.256 -8.987 -0.401 1.00 0.00 C ATOM 1292 O GLU A 78 -14.233 -9.448 0.111 1.00 0.00 O ATOM 1293 CB GLU A 78 -15.347 -7.303 -2.249 1.00 0.00 C ATOM 1294 CG GLU A 78 -15.924 -5.969 -2.696 1.00 0.00 C ATOM 1295 CD GLU A 78 -17.275 -6.117 -3.370 1.00 0.00 C ATOM 1296 OE1 GLU A 78 -17.326 -6.686 -4.481 1.00 0.00 O ATOM 1297 OE2 GLU A 78 -18.282 -5.665 -2.786 1.00 0.00 O ATOM 0 H GLU A 78 -13.347 -7.039 -0.395 1.00 0.00 H new ATOM 0 HA GLU A 78 -16.306 -7.130 -0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.320 -7.383 -2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.911 -8.109 -2.718 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.023 -5.312 -1.832 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.229 -5.488 -3.384 1.00 0.00 H new ATOM 1304 N GLN A 79 -16.320 -9.728 -0.708 1.00 0.00 N ATOM 1305 CA GLN A 79 -16.358 -11.166 -0.458 1.00 0.00 C ATOM 1306 C GLN A 79 -16.313 -11.945 -1.770 1.00 0.00 C ATOM 1307 O GLN A 79 -16.312 -11.357 -2.854 1.00 0.00 O ATOM 1308 CB GLN A 79 -17.620 -11.543 0.325 1.00 0.00 C ATOM 1309 CG GLN A 79 -17.897 -10.642 1.520 1.00 0.00 C ATOM 1310 CD GLN A 79 -19.088 -9.726 1.307 1.00 0.00 C ATOM 1311 OE1 GLN A 79 -19.966 -10.004 0.489 1.00 0.00 O ATOM 1312 NE2 GLN A 79 -19.126 -8.624 2.048 1.00 0.00 N ATOM 0 H GLN A 79 -17.169 -9.354 -1.132 1.00 0.00 H new ATOM 0 HA GLN A 79 -15.481 -11.427 0.135 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -18.477 -11.511 -0.348 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -17.526 -12.572 0.672 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.073 -11.259 2.401 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -17.013 -10.038 1.726 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -18.378 -8.431 2.714 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -19.903 -7.971 1.951 1.00 0.00 H new ATOM 1321 N GLY A 80 -16.271 -13.271 -1.662 1.00 0.00 N ATOM 1322 CA GLY A 80 -16.222 -14.120 -2.842 1.00 0.00 C ATOM 1323 C GLY A 80 -14.884 -14.817 -2.990 1.00 0.00 C ATOM 1324 O GLY A 80 -14.174 -15.022 -2.007 1.00 0.00 O ATOM 0 H GLY A 80 -16.270 -13.775 -0.775 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -17.014 -14.866 -2.784 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.416 -13.518 -3.729 1.00 0.00 H new ATOM 1328 N TRP A 81 -14.533 -15.181 -4.219 1.00 0.00 N ATOM 1329 CA TRP A 81 -13.262 -15.852 -4.473 1.00 0.00 C ATOM 1330 C TRP A 81 -12.186 -14.833 -4.838 1.00 0.00 C ATOM 1331 O TRP A 81 -12.226 -14.227 -5.911 1.00 0.00 O ATOM 1332 CB TRP A 81 -13.420 -16.890 -5.588 1.00 0.00 C ATOM 1333 CG TRP A 81 -14.207 -18.099 -5.171 1.00 0.00 C ATOM 1334 CD1 TRP A 81 -14.393 -18.561 -3.898 1.00 0.00 C ATOM 1335 CD2 TRP A 81 -14.915 -19.001 -6.031 1.00 0.00 C ATOM 1336 NE1 TRP A 81 -15.171 -19.691 -3.915 1.00 0.00 N ATOM 1337 CE2 TRP A 81 -15.504 -19.982 -5.211 1.00 0.00 C ATOM 1338 CE3 TRP A 81 -15.109 -19.075 -7.416 1.00 0.00 C ATOM 1339 CZ2 TRP A 81 -16.274 -21.022 -5.729 1.00 0.00 C ATOM 1340 CZ3 TRP A 81 -15.873 -20.107 -7.927 1.00 0.00 C ATOM 1341 CH2 TRP A 81 -16.446 -21.069 -7.086 1.00 0.00 C ATOM 0 H TRP A 81 -15.105 -15.025 -5.049 1.00 0.00 H new ATOM 0 HA TRP A 81 -12.954 -16.368 -3.564 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -13.911 -16.423 -6.442 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -12.432 -17.206 -5.922 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -13.987 -18.103 -3.008 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -15.455 -20.227 -3.095 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -14.670 -18.339 -8.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -16.719 -21.764 -5.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -16.031 -20.173 -8.993 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -17.036 -21.864 -7.517 1.00 0.00 H new ATOM 1352 N GLY A 82 -11.230 -14.646 -3.931 1.00 0.00 N ATOM 1353 CA GLY A 82 -10.155 -13.698 -4.158 1.00 0.00 C ATOM 1354 C GLY A 82 -8.988 -13.907 -3.209 1.00 0.00 C ATOM 1355 O GLY A 82 -8.968 -13.350 -2.109 1.00 0.00 O ATOM 0 H GLY A 82 -11.182 -15.138 -3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.805 -13.790 -5.186 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.538 -12.684 -4.041 1.00 0.00 H new ATOM 1359 N GLY A 83 -8.018 -14.716 -3.637 1.00 0.00 N ATOM 1360 CA GLY A 83 -6.859 -14.992 -2.809 1.00 0.00 C ATOM 1361 C GLY A 83 -5.581 -15.104 -3.619 1.00 0.00 C ATOM 1362 O GLY A 83 -5.414 -16.055 -4.382 1.00 0.00 O ATOM 0 H GLY A 83 -8.017 -15.184 -4.543 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.748 -14.200 -2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.021 -15.920 -2.261 1.00 0.00 H new ATOM 1366 N PHE A 84 -4.684 -14.131 -3.452 1.00 0.00 N ATOM 1367 CA PHE A 84 -3.412 -14.117 -4.181 1.00 0.00 C ATOM 1368 C PHE A 84 -2.391 -13.200 -3.491 1.00 0.00 C ATOM 1369 O PHE A 84 -2.741 -12.439 -2.589 1.00 0.00 O ATOM 1370 CB PHE A 84 -3.640 -13.657 -5.628 1.00 0.00 C ATOM 1371 CG PHE A 84 -3.932 -14.779 -6.594 1.00 0.00 C ATOM 1372 CD1 PHE A 84 -2.956 -15.712 -6.915 1.00 0.00 C ATOM 1373 CD2 PHE A 84 -5.182 -14.897 -7.181 1.00 0.00 C ATOM 1374 CE1 PHE A 84 -3.223 -16.736 -7.802 1.00 0.00 C ATOM 1375 CE2 PHE A 84 -5.453 -15.921 -8.069 1.00 0.00 C ATOM 1376 CZ PHE A 84 -4.472 -16.842 -8.380 1.00 0.00 C ATOM 0 H PHE A 84 -4.814 -13.342 -2.819 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.011 -15.130 -4.186 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.470 -12.951 -5.647 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.756 -13.119 -5.970 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.977 -15.636 -6.466 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.954 -14.180 -6.942 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.454 -17.455 -8.044 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -6.431 -16.001 -8.519 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.682 -17.643 -9.074 1.00 0.00 H new ATOM 1386 N PRO A 85 -1.110 -13.267 -3.907 1.00 0.00 N ATOM 1387 CA PRO A 85 -0.032 -12.447 -3.326 1.00 0.00 C ATOM 1388 C PRO A 85 -0.264 -10.943 -3.502 1.00 0.00 C ATOM 1389 O PRO A 85 -1.040 -10.519 -4.362 1.00 0.00 O ATOM 1390 CB PRO A 85 1.215 -12.880 -4.108 1.00 0.00 C ATOM 1391 CG PRO A 85 0.867 -14.208 -4.689 1.00 0.00 C ATOM 1392 CD PRO A 85 -0.605 -14.155 -4.967 1.00 0.00 C ATOM 0 HA PRO A 85 0.042 -12.598 -2.249 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.460 -12.160 -4.889 1.00 0.00 H new ATOM 0 HB3 PRO A 85 2.085 -12.951 -3.455 1.00 0.00 H new ATOM 0 HG2 PRO A 85 1.432 -14.396 -5.602 1.00 0.00 H new ATOM 0 HG3 PRO A 85 1.106 -15.014 -3.995 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.814 -13.758 -5.960 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.061 -15.144 -4.917 1.00 0.00 H new ATOM 1400 N LEU A 86 0.423 -10.147 -2.681 1.00 0.00 N ATOM 1401 CA LEU A 86 0.313 -8.689 -2.731 1.00 0.00 C ATOM 1402 C LEU A 86 1.618 -8.035 -2.271 1.00 0.00 C ATOM 1403 O LEU A 86 2.090 -8.287 -1.163 1.00 0.00 O ATOM 1404 CB LEU A 86 -0.854 -8.207 -1.858 1.00 0.00 C ATOM 1405 CG LEU A 86 -0.799 -8.631 -0.387 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -1.474 -7.590 0.492 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -1.447 -9.994 -0.193 1.00 0.00 C ATOM 0 H LEU A 86 1.066 -10.492 -1.968 1.00 0.00 H new ATOM 0 HA LEU A 86 0.121 -8.397 -3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.892 -7.119 -1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.784 -8.577 -2.290 1.00 0.00 H new ATOM 0 HG LEU A 86 0.248 -8.707 -0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.426 -7.907 1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.964 -6.633 0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.517 -7.482 0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.396 -10.275 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.490 -9.949 -0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.920 -10.736 -0.792 1.00 0.00 H new ATOM 1419 N ASP A 87 2.202 -7.199 -3.130 1.00 0.00 N ATOM 1420 CA ASP A 87 3.460 -6.521 -2.809 1.00 0.00 C ATOM 1421 C ASP A 87 3.356 -5.011 -3.013 1.00 0.00 C ATOM 1422 O ASP A 87 2.677 -4.541 -3.925 1.00 0.00 O ATOM 1423 CB ASP A 87 4.597 -7.074 -3.677 1.00 0.00 C ATOM 1424 CG ASP A 87 5.950 -6.484 -3.313 1.00 0.00 C ATOM 1425 OD1 ASP A 87 6.310 -5.429 -3.879 1.00 0.00 O ATOM 1426 OD2 ASP A 87 6.648 -7.077 -2.466 1.00 0.00 O ATOM 0 H ASP A 87 1.826 -6.975 -4.051 1.00 0.00 H new ATOM 0 HA ASP A 87 3.673 -6.710 -1.757 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.637 -8.158 -3.570 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.384 -6.865 -4.725 1.00 0.00 H new ATOM 1431 N ILE A 88 4.059 -4.257 -2.167 1.00 0.00 N ATOM 1432 CA ILE A 88 4.077 -2.802 -2.259 1.00 0.00 C ATOM 1433 C ILE A 88 5.517 -2.289 -2.249 1.00 0.00 C ATOM 1434 O ILE A 88 6.255 -2.510 -1.286 1.00 0.00 O ATOM 1435 CB ILE A 88 3.273 -2.139 -1.112 1.00 0.00 C ATOM 1436 CG1 ILE A 88 3.245 -0.620 -1.295 1.00 0.00 C ATOM 1437 CG2 ILE A 88 3.851 -2.507 0.249 1.00 0.00 C ATOM 1438 CD1 ILE A 88 2.522 0.112 -0.187 1.00 0.00 C ATOM 0 H ILE A 88 4.625 -4.635 -1.408 1.00 0.00 H new ATOM 0 HA ILE A 88 3.600 -2.529 -3.200 1.00 0.00 H new ATOM 0 HB ILE A 88 2.251 -2.515 -1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.269 -0.251 -1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.766 -0.386 -2.246 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.267 -2.027 1.034 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.815 -3.589 0.379 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.885 -2.169 0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.543 1.184 -0.385 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.488 -0.228 -0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.014 -0.091 0.764 1.00 0.00 H new ATOM 1450 N SER A 89 5.916 -1.615 -3.329 1.00 0.00 N ATOM 1451 CA SER A 89 7.274 -1.086 -3.450 1.00 0.00 C ATOM 1452 C SER A 89 7.261 0.431 -3.600 1.00 0.00 C ATOM 1453 O SER A 89 6.685 0.968 -4.550 1.00 0.00 O ATOM 1454 CB SER A 89 8.001 -1.728 -4.638 1.00 0.00 C ATOM 1455 OG SER A 89 7.111 -2.476 -5.453 1.00 0.00 O ATOM 0 H SER A 89 5.317 -1.423 -4.132 1.00 0.00 H new ATOM 0 HA SER A 89 7.811 -1.335 -2.534 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.478 -0.952 -5.236 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.794 -2.380 -4.271 1.00 0.00 H new ATOM 0 HG SER A 89 7.606 -2.870 -6.201 1.00 0.00 H new ATOM 1461 N VAL A 90 7.899 1.116 -2.652 1.00 0.00 N ATOM 1462 CA VAL A 90 7.965 2.575 -2.659 1.00 0.00 C ATOM 1463 C VAL A 90 9.358 3.061 -3.061 1.00 0.00 C ATOM 1464 O VAL A 90 10.364 2.459 -2.685 1.00 0.00 O ATOM 1465 CB VAL A 90 7.609 3.152 -1.270 1.00 0.00 C ATOM 1466 CG1 VAL A 90 7.311 4.641 -1.356 1.00 0.00 C ATOM 1467 CG2 VAL A 90 6.429 2.403 -0.660 1.00 0.00 C ATOM 0 H VAL A 90 8.380 0.680 -1.865 1.00 0.00 H new ATOM 0 HA VAL A 90 7.238 2.927 -3.391 1.00 0.00 H new ATOM 0 HB VAL A 90 8.474 3.018 -0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.064 5.020 -0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.187 5.166 -1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.469 4.805 -2.028 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.196 2.826 0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.561 2.498 -1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.685 1.350 -0.548 1.00 0.00 H new ATOM 1477 N PHE A 91 9.406 4.156 -3.821 1.00 0.00 N ATOM 1478 CA PHE A 91 10.674 4.733 -4.266 1.00 0.00 C ATOM 1479 C PHE A 91 10.620 6.259 -4.230 1.00 0.00 C ATOM 1480 O PHE A 91 9.540 6.854 -4.270 1.00 0.00 O ATOM 1481 CB PHE A 91 11.027 4.254 -5.678 1.00 0.00 C ATOM 1482 CG PHE A 91 11.549 2.846 -5.723 1.00 0.00 C ATOM 1483 CD1 PHE A 91 12.824 2.551 -5.266 1.00 0.00 C ATOM 1484 CD2 PHE A 91 10.765 1.820 -6.221 1.00 0.00 C ATOM 1485 CE1 PHE A 91 13.305 1.256 -5.305 1.00 0.00 C ATOM 1486 CE2 PHE A 91 11.240 0.524 -6.264 1.00 0.00 C ATOM 1487 CZ PHE A 91 12.512 0.241 -5.804 1.00 0.00 C ATOM 0 H PHE A 91 8.580 4.661 -4.141 1.00 0.00 H new ATOM 0 HA PHE A 91 11.451 4.396 -3.580 1.00 0.00 H new ATOM 0 HB2 PHE A 91 10.141 4.324 -6.309 1.00 0.00 H new ATOM 0 HB3 PHE A 91 11.775 4.923 -6.103 1.00 0.00 H new ATOM 0 HD1 PHE A 91 13.448 3.341 -4.875 1.00 0.00 H new ATOM 0 HD2 PHE A 91 9.770 2.036 -6.580 1.00 0.00 H new ATOM 0 HE1 PHE A 91 14.300 1.038 -4.946 1.00 0.00 H new ATOM 0 HE2 PHE A 91 10.618 -0.267 -6.657 1.00 0.00 H new ATOM 0 HZ PHE A 91 12.885 -0.772 -5.835 1.00 0.00 H new ATOM 1497 N LEU A 92 11.795 6.884 -4.150 1.00 0.00 N ATOM 1498 CA LEU A 92 11.899 8.341 -4.101 1.00 0.00 C ATOM 1499 C LEU A 92 13.224 8.810 -4.705 1.00 0.00 C ATOM 1500 O LEU A 92 14.003 8.005 -5.217 1.00 0.00 O ATOM 1501 CB LEU A 92 11.770 8.839 -2.652 1.00 0.00 C ATOM 1502 CG LEU A 92 12.503 8.002 -1.598 1.00 0.00 C ATOM 1503 CD1 LEU A 92 13.192 8.901 -0.581 1.00 0.00 C ATOM 1504 CD2 LEU A 92 11.532 7.056 -0.903 1.00 0.00 C ATOM 0 H LEU A 92 12.692 6.400 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 92 11.084 8.761 -4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.144 9.862 -2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.712 8.874 -2.391 1.00 0.00 H new ATOM 0 HG LEU A 92 13.266 7.408 -2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.706 8.287 0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.915 9.538 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.448 9.523 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.067 6.468 -0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.748 7.634 -0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.085 6.388 -1.639 1.00 0.00 H new ATOM 1516 N LEU A 93 13.473 10.118 -4.637 1.00 0.00 N ATOM 1517 CA LEU A 93 14.709 10.697 -5.170 1.00 0.00 C ATOM 1518 C LEU A 93 15.909 10.349 -4.283 1.00 0.00 C ATOM 1519 O LEU A 93 17.055 10.405 -4.732 1.00 0.00 O ATOM 1520 CB LEU A 93 14.588 12.222 -5.311 1.00 0.00 C ATOM 1521 CG LEU A 93 13.787 12.932 -4.215 1.00 0.00 C ATOM 1522 CD1 LEU A 93 14.446 14.254 -3.847 1.00 0.00 C ATOM 1523 CD2 LEU A 93 12.350 13.151 -4.669 1.00 0.00 C ATOM 0 H LEU A 93 12.837 10.797 -4.219 1.00 0.00 H new ATOM 0 HA LEU A 93 14.871 10.267 -6.158 1.00 0.00 H new ATOM 0 HB2 LEU A 93 15.592 12.646 -5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 93 14.126 12.443 -6.273 1.00 0.00 H new ATOM 0 HG LEU A 93 13.773 12.300 -3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.865 14.746 -3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.457 14.068 -3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 93 14.489 14.896 -4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.792 13.656 -3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.343 13.765 -5.570 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.885 12.188 -4.882 1.00 0.00 H new ATOM 1535 N GLU A 94 15.636 9.986 -3.026 1.00 0.00 N ATOM 1536 CA GLU A 94 16.685 9.624 -2.083 1.00 0.00 C ATOM 1537 C GLU A 94 16.518 8.174 -1.627 1.00 0.00 C ATOM 1538 O GLU A 94 15.721 7.424 -2.197 1.00 0.00 O ATOM 1539 CB GLU A 94 16.657 10.573 -0.880 1.00 0.00 C ATOM 1540 CG GLU A 94 17.984 11.271 -0.627 1.00 0.00 C ATOM 1541 CD GLU A 94 18.666 10.782 0.635 1.00 0.00 C ATOM 1542 OE1 GLU A 94 19.275 9.691 0.593 1.00 0.00 O ATOM 1543 OE2 GLU A 94 18.588 11.484 1.663 1.00 0.00 O ATOM 0 H GLU A 94 14.692 9.937 -2.642 1.00 0.00 H new ATOM 0 HA GLU A 94 17.651 9.716 -2.579 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.884 11.325 -1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.376 10.010 0.010 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.644 11.109 -1.479 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.817 12.346 -0.553 1.00 0.00 H new ATOM 1550 N LYS A 95 17.274 7.783 -0.601 1.00 0.00 N ATOM 1551 CA LYS A 95 17.212 6.424 -0.073 1.00 0.00 C ATOM 1552 C LYS A 95 16.840 6.433 1.410 1.00 0.00 C ATOM 1553 O LYS A 95 17.587 5.932 2.254 1.00 0.00 O ATOM 1554 CB LYS A 95 18.555 5.718 -0.279 1.00 0.00 C ATOM 1555 CG LYS A 95 18.869 5.415 -1.734 1.00 0.00 C ATOM 1556 CD LYS A 95 19.575 6.583 -2.406 1.00 0.00 C ATOM 1557 CE LYS A 95 18.964 6.900 -3.763 1.00 0.00 C ATOM 1558 NZ LYS A 95 19.491 8.175 -4.333 1.00 0.00 N ATOM 0 H LYS A 95 17.937 8.391 -0.120 1.00 0.00 H new ATOM 0 HA LYS A 95 16.439 5.880 -0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 95 19.349 6.340 0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 95 18.556 4.785 0.285 1.00 0.00 H new ATOM 0 HG2 LYS A 95 19.496 4.526 -1.795 1.00 0.00 H new ATOM 0 HG3 LYS A 95 17.945 5.191 -2.268 1.00 0.00 H new ATOM 0 HD2 LYS A 95 19.516 7.463 -1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 95 20.632 6.348 -2.528 1.00 0.00 H new ATOM 0 HE2 LYS A 95 19.171 6.082 -4.453 1.00 0.00 H new ATOM 0 HE3 LYS A 95 17.881 6.968 -3.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 18.713 8.859 -4.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 20.216 8.565 -3.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 19.911 7.991 -5.266 1.00 0.00 H new ATOM 1572 N ALA A 96 15.681 7.012 1.724 1.00 0.00 N ATOM 1573 CA ALA A 96 15.211 7.090 3.107 1.00 0.00 C ATOM 1574 C ALA A 96 13.960 6.239 3.330 1.00 0.00 C ATOM 1575 O ALA A 96 13.803 5.628 4.392 1.00 0.00 O ATOM 1576 CB ALA A 96 14.937 8.537 3.495 1.00 0.00 C ATOM 0 H ALA A 96 15.051 7.433 1.041 1.00 0.00 H new ATOM 0 HA ALA A 96 16.001 6.692 3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 96 14.588 8.577 4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.853 9.119 3.399 1.00 0.00 H new ATOM 0 HB3 ALA A 96 14.173 8.952 2.837 1.00 0.00 H new ATOM 1582 N GLY A 97 13.070 6.208 2.337 1.00 0.00 N ATOM 1583 CA GLY A 97 11.846 5.433 2.459 1.00 0.00 C ATOM 1584 C GLY A 97 11.499 4.670 1.194 1.00 0.00 C ATOM 1585 O GLY A 97 10.340 4.657 0.774 1.00 0.00 O ATOM 0 H GLY A 97 13.176 6.705 1.453 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.949 4.729 3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.023 6.101 2.711 1.00 0.00 H new ATOM 1589 N GLU A 98 12.499 4.028 0.588 1.00 0.00 N ATOM 1590 CA GLU A 98 12.283 3.257 -0.634 1.00 0.00 C ATOM 1591 C GLU A 98 12.501 1.762 -0.386 1.00 0.00 C ATOM 1592 O GLU A 98 13.618 1.254 -0.519 1.00 0.00 O ATOM 1593 CB GLU A 98 13.204 3.757 -1.759 1.00 0.00 C ATOM 1594 CG GLU A 98 14.648 3.977 -1.332 1.00 0.00 C ATOM 1595 CD GLU A 98 15.626 3.885 -2.490 1.00 0.00 C ATOM 1596 OE1 GLU A 98 15.446 4.626 -3.481 1.00 0.00 O ATOM 1597 OE2 GLU A 98 16.571 3.073 -2.405 1.00 0.00 O ATOM 0 H GLU A 98 13.462 4.027 0.923 1.00 0.00 H new ATOM 0 HA GLU A 98 11.248 3.401 -0.944 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.184 3.036 -2.576 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.806 4.693 -2.150 1.00 0.00 H new ATOM 0 HG2 GLU A 98 14.738 4.957 -0.864 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.915 3.237 -0.577 1.00 0.00 H new ATOM 1604 N ARG A 99 11.426 1.064 -0.018 1.00 0.00 N ATOM 1605 CA ARG A 99 11.494 -0.371 0.257 1.00 0.00 C ATOM 1606 C ARG A 99 10.237 -1.097 -0.231 1.00 0.00 C ATOM 1607 O ARG A 99 9.171 -0.492 -0.364 1.00 0.00 O ATOM 1608 CB ARG A 99 11.684 -0.612 1.758 1.00 0.00 C ATOM 1609 CG ARG A 99 12.971 -1.348 2.103 1.00 0.00 C ATOM 1610 CD ARG A 99 13.728 -0.663 3.233 1.00 0.00 C ATOM 1611 NE ARG A 99 12.864 -0.351 4.376 1.00 0.00 N ATOM 1612 CZ ARG A 99 13.199 0.493 5.357 1.00 0.00 C ATOM 1613 NH1 ARG A 99 14.385 1.095 5.350 1.00 0.00 N ATOM 1614 NH2 ARG A 99 12.350 0.732 6.351 1.00 0.00 N ATOM 0 H ARG A 99 10.497 1.470 0.096 1.00 0.00 H new ATOM 0 HA ARG A 99 12.349 -0.773 -0.287 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.675 0.348 2.275 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.837 -1.185 2.135 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.738 -2.373 2.391 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.607 -1.402 1.219 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.544 -1.306 3.563 1.00 0.00 H new ATOM 0 HD3 ARG A 99 14.178 0.257 2.860 1.00 0.00 H new ATOM 0 HE ARG A 99 11.952 -0.805 4.426 1.00 0.00 H new ATOM 0 HH11 ARG A 99 15.045 0.914 4.593 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.635 1.738 6.101 1.00 0.00 H new ATOM 0 HH21 ARG A 99 11.440 0.271 6.367 1.00 0.00 H new ATOM 0 HH22 ARG A 99 12.608 1.376 7.098 1.00 0.00 H new ATOM 1628 N LYS A 100 10.377 -2.402 -0.480 1.00 0.00 N ATOM 1629 CA LYS A 100 9.260 -3.230 -0.939 1.00 0.00 C ATOM 1630 C LYS A 100 8.863 -4.239 0.140 1.00 0.00 C ATOM 1631 O LYS A 100 9.727 -4.797 0.820 1.00 0.00 O ATOM 1632 CB LYS A 100 9.630 -3.966 -2.234 1.00 0.00 C ATOM 1633 CG LYS A 100 10.753 -4.981 -2.069 1.00 0.00 C ATOM 1634 CD LYS A 100 11.497 -5.213 -3.375 1.00 0.00 C ATOM 1635 CE LYS A 100 12.900 -5.750 -3.129 1.00 0.00 C ATOM 1636 NZ LYS A 100 13.883 -4.656 -2.877 1.00 0.00 N ATOM 0 H LYS A 100 11.256 -2.908 -0.371 1.00 0.00 H new ATOM 0 HA LYS A 100 8.411 -2.576 -1.139 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.746 -4.476 -2.615 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.924 -3.233 -2.985 1.00 0.00 H new ATOM 0 HG2 LYS A 100 11.452 -4.631 -1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.341 -5.925 -1.712 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.940 -5.917 -3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 100 11.556 -4.278 -3.932 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.884 -6.427 -2.275 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.221 -6.334 -3.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 14.825 -5.066 -2.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 13.918 -4.024 -3.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 13.592 -4.114 -2.038 1.00 0.00 H new ATOM 1650 N ILE A 101 7.557 -4.464 0.301 1.00 0.00 N ATOM 1651 CA ILE A 101 7.064 -5.405 1.310 1.00 0.00 C ATOM 1652 C ILE A 101 6.001 -6.345 0.730 1.00 0.00 C ATOM 1653 O ILE A 101 4.882 -5.922 0.434 1.00 0.00 O ATOM 1654 CB ILE A 101 6.479 -4.669 2.537 1.00 0.00 C ATOM 1655 CG1 ILE A 101 7.407 -3.535 2.980 1.00 0.00 C ATOM 1656 CG2 ILE A 101 6.253 -5.646 3.683 1.00 0.00 C ATOM 1657 CD1 ILE A 101 6.888 -2.157 2.634 1.00 0.00 C ATOM 0 H ILE A 101 6.827 -4.012 -0.249 1.00 0.00 H new ATOM 0 HA ILE A 101 7.923 -5.995 1.629 1.00 0.00 H new ATOM 0 HB ILE A 101 5.520 -4.237 2.252 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.555 -3.598 4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.383 -3.673 2.516 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.841 -5.113 4.540 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.555 -6.421 3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.202 -6.104 3.963 1.00 0.00 H new ATOM 0 HD11 ILE A 101 7.597 -1.404 2.978 1.00 0.00 H new ATOM 0 HD12 ILE A 101 6.767 -2.074 1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.926 -1.998 3.120 1.00 0.00 H new ATOM 1669 N PRO A 102 6.351 -7.636 0.553 1.00 0.00 N ATOM 1670 CA PRO A 102 5.444 -8.645 0.000 1.00 0.00 C ATOM 1671 C PRO A 102 4.577 -9.339 1.059 1.00 0.00 C ATOM 1672 O PRO A 102 5.009 -9.542 2.196 1.00 0.00 O ATOM 1673 CB PRO A 102 6.413 -9.642 -0.627 1.00 0.00 C ATOM 1674 CG PRO A 102 7.627 -9.592 0.243 1.00 0.00 C ATOM 1675 CD PRO A 102 7.674 -8.212 0.860 1.00 0.00 C ATOM 0 HA PRO A 102 4.721 -8.207 -0.688 1.00 0.00 H new ATOM 0 HB2 PRO A 102 5.987 -10.645 -0.654 1.00 0.00 H new ATOM 0 HB3 PRO A 102 6.651 -9.369 -1.655 1.00 0.00 H new ATOM 0 HG2 PRO A 102 7.579 -10.359 1.016 1.00 0.00 H new ATOM 0 HG3 PRO A 102 8.527 -9.784 -0.340 1.00 0.00 H new ATOM 0 HD2 PRO A 102 7.848 -8.262 1.935 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.479 -7.612 0.435 1.00 0.00 H new ATOM 1683 N HIS A 103 3.358 -9.709 0.658 1.00 0.00 N ATOM 1684 CA HIS A 103 2.406 -10.396 1.540 1.00 0.00 C ATOM 1685 C HIS A 103 1.513 -11.343 0.730 1.00 0.00 C ATOM 1686 O HIS A 103 1.551 -11.339 -0.502 1.00 0.00 O ATOM 1687 CB HIS A 103 1.521 -9.390 2.296 1.00 0.00 C ATOM 1688 CG HIS A 103 2.234 -8.157 2.755 1.00 0.00 C ATOM 1689 ND1 HIS A 103 2.699 -7.993 4.043 1.00 0.00 N ATOM 1690 CD2 HIS A 103 2.544 -7.016 2.095 1.00 0.00 C ATOM 1691 CE1 HIS A 103 3.265 -6.806 4.155 1.00 0.00 C ATOM 1692 NE2 HIS A 103 3.184 -6.193 2.986 1.00 0.00 N ATOM 0 H HIS A 103 3.002 -9.542 -0.283 1.00 0.00 H new ATOM 0 HA HIS A 103 2.985 -10.969 2.265 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.694 -9.096 1.650 1.00 0.00 H new ATOM 0 HB3 HIS A 103 1.087 -9.887 3.163 1.00 0.00 H new ATOM 0 HD1 HIS A 103 2.618 -8.681 4.792 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.328 -6.795 1.060 1.00 0.00 H new ATOM 0 HE1 HIS A 103 3.717 -6.404 5.049 1.00 0.00 H new ATOM 1701 N ASP A 104 0.708 -12.150 1.427 1.00 0.00 N ATOM 1702 CA ASP A 104 -0.200 -13.092 0.770 1.00 0.00 C ATOM 1703 C ASP A 104 -1.592 -13.038 1.399 1.00 0.00 C ATOM 1704 O ASP A 104 -1.728 -13.124 2.621 1.00 0.00 O ATOM 1705 CB ASP A 104 0.359 -14.518 0.853 1.00 0.00 C ATOM 1706 CG ASP A 104 -0.180 -15.430 -0.240 1.00 0.00 C ATOM 1707 OD1 ASP A 104 -0.428 -14.940 -1.363 1.00 0.00 O ATOM 1708 OD2 ASP A 104 -0.350 -16.637 0.031 1.00 0.00 O ATOM 0 H ASP A 104 0.667 -12.169 2.446 1.00 0.00 H new ATOM 0 HA ASP A 104 -0.285 -12.804 -0.278 1.00 0.00 H new ATOM 0 HB2 ASP A 104 1.446 -14.481 0.785 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.115 -14.943 1.827 1.00 0.00 H new ATOM 1713 N LEU A 105 -2.626 -12.900 0.563 1.00 0.00 N ATOM 1714 CA LEU A 105 -4.000 -12.841 1.060 1.00 0.00 C ATOM 1715 C LEU A 105 -4.807 -14.059 0.605 1.00 0.00 C ATOM 1716 O LEU A 105 -5.265 -14.125 -0.533 1.00 0.00 O ATOM 1717 CB LEU A 105 -4.682 -11.522 0.644 1.00 0.00 C ATOM 1718 CG LEU A 105 -5.020 -11.361 -0.846 1.00 0.00 C ATOM 1719 CD1 LEU A 105 -6.524 -11.442 -1.065 1.00 0.00 C ATOM 1720 CD2 LEU A 105 -4.480 -10.037 -1.376 1.00 0.00 C ATOM 0 H LEU A 105 -2.537 -12.828 -0.451 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.964 -12.864 2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.605 -11.421 1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.034 -10.696 0.937 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.546 -12.175 -1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.744 -11.326 -2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.890 -12.410 -0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.017 -10.648 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.728 -9.940 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.928 -9.213 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.397 -10.011 -1.254 1.00 0.00 H new ATOM 1732 N ASN A 106 -4.972 -15.026 1.515 1.00 0.00 N ATOM 1733 CA ASN A 106 -5.726 -16.248 1.222 1.00 0.00 C ATOM 1734 C ASN A 106 -5.804 -17.161 2.455 1.00 0.00 C ATOM 1735 O ASN A 106 -5.606 -18.373 2.355 1.00 0.00 O ATOM 1736 CB ASN A 106 -5.084 -17.005 0.045 1.00 0.00 C ATOM 1737 CG ASN A 106 -5.962 -18.129 -0.483 1.00 0.00 C ATOM 1738 OD1 ASN A 106 -7.227 -17.826 -0.761 1.00 0.00 O flip ATOM 1739 ND2 ASN A 106 -5.505 -19.262 -0.642 1.00 0.00 N flip ATOM 0 H ASN A 106 -4.593 -14.985 2.461 1.00 0.00 H new ATOM 0 HA ASN A 106 -6.740 -15.958 0.948 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -4.876 -16.303 -0.762 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -4.126 -17.417 0.363 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -4.529 -19.454 -0.417 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -6.103 -20.008 -0.999 1.00 0.00 H new ATOM 1746 N PHE A 107 -6.096 -16.574 3.620 1.00 0.00 N ATOM 1747 CA PHE A 107 -6.193 -17.346 4.860 1.00 0.00 C ATOM 1748 C PHE A 107 -7.334 -16.846 5.744 1.00 0.00 C ATOM 1749 O PHE A 107 -7.514 -15.639 5.919 1.00 0.00 O ATOM 1750 CB PHE A 107 -4.870 -17.286 5.630 1.00 0.00 C ATOM 1751 CG PHE A 107 -3.715 -17.901 4.889 1.00 0.00 C ATOM 1752 CD1 PHE A 107 -2.938 -17.134 4.036 1.00 0.00 C ATOM 1753 CD2 PHE A 107 -3.408 -19.243 5.045 1.00 0.00 C ATOM 1754 CE1 PHE A 107 -1.880 -17.694 3.349 1.00 0.00 C ATOM 1755 CE2 PHE A 107 -2.350 -19.809 4.360 1.00 0.00 C ATOM 1756 CZ PHE A 107 -1.582 -19.032 3.513 1.00 0.00 C ATOM 0 H PHE A 107 -6.268 -15.575 3.729 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.405 -18.380 4.589 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.635 -16.245 5.853 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.992 -17.797 6.585 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.163 -16.086 3.907 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -4.002 -19.853 5.709 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -1.285 -17.086 2.683 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.123 -20.857 4.486 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.751 -19.471 2.981 1.00 0.00 H new ATOM 1766 N LEU A 108 -8.096 -17.789 6.307 1.00 0.00 N ATOM 1767 CA LEU A 108 -9.218 -17.458 7.185 1.00 0.00 C ATOM 1768 C LEU A 108 -8.730 -16.705 8.422 1.00 0.00 C ATOM 1769 O LEU A 108 -7.796 -17.142 9.099 1.00 0.00 O ATOM 1770 CB LEU A 108 -9.975 -18.729 7.601 1.00 0.00 C ATOM 1771 CG LEU A 108 -9.106 -19.853 8.178 1.00 0.00 C ATOM 1772 CD1 LEU A 108 -9.686 -20.354 9.493 1.00 0.00 C ATOM 1773 CD2 LEU A 108 -8.974 -20.994 7.180 1.00 0.00 C ATOM 0 H LEU A 108 -7.954 -18.790 6.169 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.901 -16.813 6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.727 -18.457 8.342 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.508 -19.115 6.732 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.111 -19.453 8.372 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.056 -21.151 9.888 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.725 -19.534 10.210 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -10.693 -20.736 9.324 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.354 -21.782 7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.962 -21.394 6.952 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.511 -20.625 6.265 1.00 0.00 H new ATOM 1785 N GLN A 109 -9.364 -15.564 8.701 1.00 0.00 N ATOM 1786 CA GLN A 109 -9.000 -14.726 9.846 1.00 0.00 C ATOM 1787 C GLN A 109 -7.581 -14.176 9.671 1.00 0.00 C ATOM 1788 O GLN A 109 -6.671 -14.507 10.437 1.00 0.00 O ATOM 1789 CB GLN A 109 -9.118 -15.508 11.162 1.00 0.00 C ATOM 1790 CG GLN A 109 -10.448 -16.234 11.334 1.00 0.00 C ATOM 1791 CD GLN A 109 -10.363 -17.379 12.326 1.00 0.00 C ATOM 1792 OE1 GLN A 109 -10.535 -18.542 11.963 1.00 0.00 O ATOM 1793 NE2 GLN A 109 -10.100 -17.057 13.589 1.00 0.00 N ATOM 0 H GLN A 109 -10.137 -15.197 8.146 1.00 0.00 H new ATOM 0 HA GLN A 109 -9.697 -13.889 9.891 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.309 -16.236 11.214 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.981 -14.819 11.996 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -11.205 -15.524 11.668 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -10.776 -16.618 10.368 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -9.964 -16.080 13.848 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -10.034 -17.787 14.298 1.00 0.00 H new ATOM 1802 N GLU A 110 -7.407 -13.332 8.653 1.00 0.00 N ATOM 1803 CA GLU A 110 -6.113 -12.730 8.359 1.00 0.00 C ATOM 1804 C GLU A 110 -6.087 -11.272 8.784 1.00 0.00 C ATOM 1805 O GLU A 110 -6.998 -10.505 8.468 1.00 0.00 O ATOM 1806 CB GLU A 110 -5.796 -12.826 6.867 1.00 0.00 C ATOM 1807 CG GLU A 110 -4.373 -12.403 6.518 1.00 0.00 C ATOM 1808 CD GLU A 110 -3.537 -13.549 5.980 1.00 0.00 C ATOM 1809 OE1 GLU A 110 -3.849 -14.048 4.876 1.00 0.00 O ATOM 1810 OE2 GLU A 110 -2.571 -13.949 6.665 1.00 0.00 O ATOM 0 H GLU A 110 -8.153 -13.051 8.017 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.359 -13.280 8.921 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.953 -13.853 6.536 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.498 -12.202 6.314 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.407 -11.604 5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.892 -11.993 7.406 1.00 0.00 H new ATOM 1817 N SER A 111 -5.031 -10.904 9.493 1.00 0.00 N ATOM 1818 CA SER A 111 -4.852 -9.541 9.968 1.00 0.00 C ATOM 1819 C SER A 111 -3.434 -9.069 9.666 1.00 0.00 C ATOM 1820 O SER A 111 -2.626 -8.847 10.571 1.00 0.00 O ATOM 1821 CB SER A 111 -5.158 -9.468 11.466 1.00 0.00 C ATOM 1822 OG SER A 111 -4.288 -10.302 12.214 1.00 0.00 O ATOM 0 H SER A 111 -4.277 -11.539 9.754 1.00 0.00 H new ATOM 0 HA SER A 111 -5.545 -8.879 9.449 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.061 -8.438 11.809 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.191 -9.766 11.643 1.00 0.00 H new ATOM 0 HG SER A 111 -3.358 -10.100 11.978 1.00 0.00 H new ATOM 1828 N TYR A 112 -3.141 -8.927 8.374 1.00 0.00 N ATOM 1829 CA TYR A 112 -1.827 -8.493 7.923 1.00 0.00 C ATOM 1830 C TYR A 112 -1.869 -7.047 7.459 1.00 0.00 C ATOM 1831 O TYR A 112 -2.602 -6.702 6.534 1.00 0.00 O ATOM 1832 CB TYR A 112 -1.332 -9.389 6.788 1.00 0.00 C ATOM 1833 CG TYR A 112 -0.407 -10.495 7.243 1.00 0.00 C ATOM 1834 CD1 TYR A 112 -0.755 -11.335 8.297 1.00 0.00 C ATOM 1835 CD2 TYR A 112 0.811 -10.698 6.616 1.00 0.00 C ATOM 1836 CE1 TYR A 112 0.090 -12.345 8.708 1.00 0.00 C ATOM 1837 CE2 TYR A 112 1.661 -11.708 7.020 1.00 0.00 C ATOM 1838 CZ TYR A 112 1.296 -12.528 8.066 1.00 0.00 C ATOM 1839 OH TYR A 112 2.139 -13.537 8.471 1.00 0.00 O ATOM 0 H TYR A 112 -3.803 -9.108 7.620 1.00 0.00 H new ATOM 0 HA TYR A 112 -1.137 -8.570 8.763 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -2.192 -9.831 6.285 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.814 -8.774 6.052 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -1.700 -11.194 8.800 1.00 0.00 H new ATOM 0 HD2 TYR A 112 1.101 -10.056 5.798 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -0.192 -12.989 9.528 1.00 0.00 H new ATOM 0 HE2 TYR A 112 2.607 -11.855 6.519 1.00 0.00 H new ATOM 0 HH TYR A 112 2.946 -13.532 7.915 1.00 0.00 H new ATOM 1849 N GLU A 113 -1.084 -6.205 8.116 1.00 0.00 N ATOM 1850 CA GLU A 113 -1.035 -4.789 7.780 1.00 0.00 C ATOM 1851 C GLU A 113 0.357 -4.205 8.035 1.00 0.00 C ATOM 1852 O GLU A 113 1.041 -4.593 8.986 1.00 0.00 O ATOM 1853 CB GLU A 113 -2.112 -4.038 8.577 1.00 0.00 C ATOM 1854 CG GLU A 113 -1.637 -3.452 9.904 1.00 0.00 C ATOM 1855 CD GLU A 113 -1.515 -1.939 9.870 1.00 0.00 C ATOM 1856 OE1 GLU A 113 -0.754 -1.421 9.024 1.00 0.00 O ATOM 1857 OE2 GLU A 113 -2.184 -1.272 10.686 1.00 0.00 O ATOM 0 H GLU A 113 -0.472 -6.478 8.885 1.00 0.00 H new ATOM 0 HA GLU A 113 -1.238 -4.670 6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -2.504 -3.230 7.959 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.940 -4.719 8.773 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -2.334 -3.738 10.692 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -0.670 -3.884 10.161 1.00 0.00 H new ATOM 1864 N VAL A 114 0.777 -3.284 7.166 1.00 0.00 N ATOM 1865 CA VAL A 114 2.093 -2.659 7.286 1.00 0.00 C ATOM 1866 C VAL A 114 2.041 -1.168 6.939 1.00 0.00 C ATOM 1867 O VAL A 114 1.313 -0.752 6.034 1.00 0.00 O ATOM 1868 CB VAL A 114 3.132 -3.367 6.386 1.00 0.00 C ATOM 1869 CG1 VAL A 114 2.609 -3.510 4.967 1.00 0.00 C ATOM 1870 CG2 VAL A 114 4.459 -2.623 6.388 1.00 0.00 C ATOM 0 H VAL A 114 0.225 -2.956 6.373 1.00 0.00 H new ATOM 0 HA VAL A 114 2.399 -2.762 8.327 1.00 0.00 H new ATOM 0 HB VAL A 114 3.300 -4.363 6.796 1.00 0.00 H new ATOM 0 HG11 VAL A 114 3.357 -4.011 4.352 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.692 -4.099 4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 114 2.402 -2.523 4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 114 5.169 -3.144 5.747 1.00 0.00 H new ATOM 0 HG22 VAL A 114 4.309 -1.610 6.015 1.00 0.00 H new ATOM 0 HG23 VAL A 114 4.851 -2.581 7.404 1.00 0.00 H new ATOM 1880 N GLU A 115 2.823 -0.374 7.675 1.00 0.00 N ATOM 1881 CA GLU A 115 2.883 1.071 7.466 1.00 0.00 C ATOM 1882 C GLU A 115 4.327 1.543 7.296 1.00 0.00 C ATOM 1883 O GLU A 115 5.246 0.995 7.909 1.00 0.00 O ATOM 1884 CB GLU A 115 2.229 1.808 8.640 1.00 0.00 C ATOM 1885 CG GLU A 115 0.893 1.216 9.060 1.00 0.00 C ATOM 1886 CD GLU A 115 0.423 1.717 10.411 1.00 0.00 C ATOM 1887 OE1 GLU A 115 0.771 1.088 11.432 1.00 0.00 O ATOM 1888 OE2 GLU A 115 -0.294 2.740 10.448 1.00 0.00 O ATOM 0 H GLU A 115 3.426 -0.712 8.425 1.00 0.00 H new ATOM 0 HA GLU A 115 2.336 1.299 6.551 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.908 1.792 9.492 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.084 2.853 8.367 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.142 1.457 8.308 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.976 0.130 9.090 1.00 0.00 H new ATOM 1895 N HIS A 116 4.516 2.565 6.460 1.00 0.00 N ATOM 1896 CA HIS A 116 5.844 3.120 6.201 1.00 0.00 C ATOM 1897 C HIS A 116 5.827 4.643 6.293 1.00 0.00 C ATOM 1898 O HIS A 116 4.972 5.301 5.696 1.00 0.00 O ATOM 1899 CB HIS A 116 6.342 2.686 4.819 1.00 0.00 C ATOM 1900 CG HIS A 116 7.458 1.686 4.859 1.00 0.00 C ATOM 1901 ND1 HIS A 116 7.950 0.942 5.880 1.00 0.00 N flip ATOM 1902 CD2 HIS A 116 8.204 1.349 3.751 1.00 0.00 C flip ATOM 1903 CE1 HIS A 116 8.969 0.175 5.373 1.00 0.00 C flip ATOM 1904 NE2 HIS A 116 9.102 0.442 4.086 1.00 0.00 N flip ATOM 0 H HIS A 116 3.763 3.026 5.949 1.00 0.00 H new ATOM 0 HA HIS A 116 6.524 2.736 6.962 1.00 0.00 H new ATOM 0 HB2 HIS A 116 5.508 2.262 4.260 1.00 0.00 H new ATOM 0 HB3 HIS A 116 6.677 3.567 4.272 1.00 0.00 H new ATOM 0 HD1 HIS A 116 7.623 0.951 6.846 1.00 0.00 H new ATOM 0 HD2 HIS A 116 8.074 1.763 2.762 1.00 0.00 H new ATOM 0 HE1 HIS A 116 9.564 -0.531 5.934 1.00 0.00 H new ATOM 1913 N VAL A 117 6.779 5.196 7.046 1.00 0.00 N ATOM 1914 CA VAL A 117 6.881 6.645 7.221 1.00 0.00 C ATOM 1915 C VAL A 117 8.135 7.195 6.539 1.00 0.00 C ATOM 1916 O VAL A 117 9.200 6.574 6.580 1.00 0.00 O ATOM 1917 CB VAL A 117 6.895 7.040 8.714 1.00 0.00 C ATOM 1918 CG1 VAL A 117 5.517 6.848 9.330 1.00 0.00 C ATOM 1919 CG2 VAL A 117 7.946 6.245 9.482 1.00 0.00 C ATOM 0 H VAL A 117 7.491 4.662 7.545 1.00 0.00 H new ATOM 0 HA VAL A 117 5.998 7.081 6.754 1.00 0.00 H new ATOM 0 HB VAL A 117 7.159 8.095 8.782 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.546 7.131 10.382 1.00 0.00 H new ATOM 0 HG12 VAL A 117 4.794 7.473 8.806 1.00 0.00 H new ATOM 0 HG13 VAL A 117 5.222 5.802 9.244 1.00 0.00 H new ATOM 0 HG21 VAL A 117 7.934 6.543 10.530 1.00 0.00 H new ATOM 0 HG22 VAL A 117 7.725 5.180 9.405 1.00 0.00 H new ATOM 0 HG23 VAL A 117 8.931 6.442 9.060 1.00 0.00 H new ATOM 1929 N ILE A 118 7.994 8.359 5.907 1.00 0.00 N ATOM 1930 CA ILE A 118 9.101 9.001 5.203 1.00 0.00 C ATOM 1931 C ILE A 118 9.084 10.516 5.430 1.00 0.00 C ATOM 1932 O ILE A 118 8.182 11.212 4.960 1.00 0.00 O ATOM 1933 CB ILE A 118 9.043 8.715 3.682 1.00 0.00 C ATOM 1934 CG1 ILE A 118 8.690 7.247 3.420 1.00 0.00 C ATOM 1935 CG2 ILE A 118 10.367 9.071 3.021 1.00 0.00 C ATOM 1936 CD1 ILE A 118 8.502 6.917 1.954 1.00 0.00 C ATOM 0 H ILE A 118 7.117 8.879 5.869 1.00 0.00 H new ATOM 0 HA ILE A 118 10.024 8.584 5.606 1.00 0.00 H new ATOM 0 HB ILE A 118 8.261 9.338 3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.479 6.615 3.827 1.00 0.00 H new ATOM 0 HG13 ILE A 118 7.775 7.001 3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.308 8.863 1.953 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.577 10.130 3.174 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.166 8.475 3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 118 8.254 5.861 1.848 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.693 7.522 1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 118 9.423 7.130 1.412 1.00 0.00 H new ATOM 1948 N GLN A 119 10.082 11.020 6.160 1.00 0.00 N ATOM 1949 CA GLN A 119 10.176 12.449 6.457 1.00 0.00 C ATOM 1950 C GLN A 119 11.568 12.992 6.134 1.00 0.00 C ATOM 1951 O GLN A 119 12.531 12.716 6.850 1.00 0.00 O ATOM 1952 CB GLN A 119 9.854 12.706 7.931 1.00 0.00 C ATOM 1953 CG GLN A 119 8.366 12.701 8.247 1.00 0.00 C ATOM 1954 CD GLN A 119 8.088 12.584 9.736 1.00 0.00 C ATOM 1955 OE1 GLN A 119 8.771 13.197 10.556 1.00 0.00 O ATOM 1956 NE2 GLN A 119 7.080 11.794 10.092 1.00 0.00 N ATOM 0 H GLN A 119 10.836 10.458 6.556 1.00 0.00 H new ATOM 0 HA GLN A 119 9.450 12.967 5.831 1.00 0.00 H new ATOM 0 HB2 GLN A 119 10.347 11.947 8.538 1.00 0.00 H new ATOM 0 HB3 GLN A 119 10.274 13.669 8.222 1.00 0.00 H new ATOM 0 HG2 GLN A 119 7.914 13.617 7.867 1.00 0.00 H new ATOM 0 HG3 GLN A 119 7.890 11.871 7.725 1.00 0.00 H new ATOM 0 HE21 GLN A 119 6.540 11.304 9.379 1.00 0.00 H new ATOM 0 HE22 GLN A 119 6.847 11.678 11.078 1.00 0.00 H new ATOM 1965 N ILE A 120 11.665 13.774 5.056 1.00 0.00 N ATOM 1966 CA ILE A 120 12.940 14.364 4.643 1.00 0.00 C ATOM 1967 C ILE A 120 12.762 15.832 4.222 1.00 0.00 C ATOM 1968 O ILE A 120 13.079 16.206 3.090 1.00 0.00 O ATOM 1969 CB ILE A 120 13.588 13.571 3.481 1.00 0.00 C ATOM 1970 CG1 ILE A 120 13.611 12.071 3.794 1.00 0.00 C ATOM 1971 CG2 ILE A 120 15.000 14.079 3.209 1.00 0.00 C ATOM 1972 CD1 ILE A 120 12.406 11.327 3.262 1.00 0.00 C ATOM 0 H ILE A 120 10.877 14.013 4.454 1.00 0.00 H new ATOM 0 HA ILE A 120 13.602 14.318 5.508 1.00 0.00 H new ATOM 0 HB ILE A 120 12.985 13.725 2.586 1.00 0.00 H new ATOM 0 HG12 ILE A 120 14.515 11.633 3.371 1.00 0.00 H new ATOM 0 HG13 ILE A 120 13.666 11.934 4.874 1.00 0.00 H new ATOM 0 HG21 ILE A 120 15.440 13.510 2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 120 14.961 15.134 2.939 1.00 0.00 H new ATOM 0 HG23 ILE A 120 15.610 13.956 4.104 1.00 0.00 H new ATOM 0 HD11 ILE A 120 12.488 10.271 3.519 1.00 0.00 H new ATOM 0 HD12 ILE A 120 11.499 11.739 3.705 1.00 0.00 H new ATOM 0 HD13 ILE A 120 12.362 11.434 2.178 1.00 0.00 H new ATOM 1984 N PRO A 121 12.249 16.686 5.130 1.00 0.00 N ATOM 1985 CA PRO A 121 12.034 18.110 4.840 1.00 0.00 C ATOM 1986 C PRO A 121 13.346 18.891 4.718 1.00 0.00 C ATOM 1987 O PRO A 121 13.522 19.676 3.785 1.00 0.00 O ATOM 1988 CB PRO A 121 11.222 18.605 6.043 1.00 0.00 C ATOM 1989 CG PRO A 121 11.545 17.659 7.148 1.00 0.00 C ATOM 1990 CD PRO A 121 11.834 16.331 6.501 1.00 0.00 C ATOM 0 HA PRO A 121 11.532 18.255 3.883 1.00 0.00 H new ATOM 0 HB2 PRO A 121 11.493 19.627 6.308 1.00 0.00 H new ATOM 0 HB3 PRO A 121 10.154 18.605 5.824 1.00 0.00 H new ATOM 0 HG2 PRO A 121 12.405 18.008 7.719 1.00 0.00 H new ATOM 0 HG3 PRO A 121 10.711 17.578 7.846 1.00 0.00 H new ATOM 0 HD2 PRO A 121 12.620 15.792 7.029 1.00 0.00 H new ATOM 0 HD3 PRO A 121 10.954 15.688 6.498 1.00 0.00 H new