USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 827 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 77 THR OG1 : rot 160:sc= -0.127 USER MOD Set 1.2: A 81 THR OG1 : rot 87:sc= 0.818 USER MOD Set 2.1: A 71 ASN : amide:sc= -1.87! K(o=-1.8!,f=1.1) USER MOD Set 2.2: A 73 THR OG1 : rot 123:sc= 0.0783! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 54:sc= 0.0362 USER MOD Single : A 7 ASN : amide:sc= -1.12! C(o=-1.1!,f=-7.6!) USER MOD Single : A 11 MET CE :methyl -115:sc= -0.515 (180deg=-2.55!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -137:sc= 0.203 (180deg=-2.35) USER MOD Single : A 63 MET CE :methyl -134:sc= -0.869 (180deg=-2.69) USER MOD Single : A 64 MET CE :methyl -119:sc= -2.45! (180deg=-6.51!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 69 SER OG : rot -137:sc= 1.73 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 75:sc= 0.469 USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -1.47 K(o=-1.5,f=-6.3!) USER MOD Single : A 102 SER OG : rot 138:sc= -0.526! USER MOD Single : A 108 MET CE :methyl -178:sc= -1.05 (180deg=-1.13) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot -26:sc= 0.53 USER MOD Single : A 125 GLN : amide:sc= -2.29! K(o=-2.3!,f=0.091) USER MOD Single : A 128 CYS SG : rot 14:sc= -0.311 USER MOD Single : A 132 THR OG1 : rot 150:sc=-0.00092 USER MOD Single : A 136 GLN : amide:sc= -0.0268 X(o=-0.027,f=-0.027) USER MOD Single : A 137 MET CE :methyl 143:sc= -1.79! (180deg=-4.06!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.150 -17.201 9.678 1.00 0.00 N ATOM 2 CA GLY A 1 -1.239 -16.101 9.288 1.00 0.00 C ATOM 3 C GLY A 1 0.153 -16.602 8.962 1.00 0.00 C ATOM 4 O GLY A 1 1.023 -16.647 9.835 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.091 -16.813 9.892 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.226 -17.882 8.896 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.774 -17.681 10.520 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.649 -15.581 8.422 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.182 -15.374 10.098 1.00 0.00 H new ATOM 10 N ASP A 2 0.366 -16.968 7.702 1.00 0.00 N ATOM 11 CA ASP A 2 1.642 -17.531 7.253 1.00 0.00 C ATOM 12 C ASP A 2 2.738 -16.471 7.283 1.00 0.00 C ATOM 13 O ASP A 2 3.828 -16.696 7.814 1.00 0.00 O ATOM 14 CB ASP A 2 1.506 -18.093 5.829 1.00 0.00 C ATOM 15 CG ASP A 2 0.462 -19.190 5.732 1.00 0.00 C ATOM 16 OD1 ASP A 2 -0.744 -18.868 5.674 1.00 0.00 O ATOM 17 OD2 ASP A 2 0.837 -20.381 5.722 1.00 0.00 O ATOM 0 H ASP A 2 -0.334 -16.885 6.965 1.00 0.00 H new ATOM 0 HA ASP A 2 1.914 -18.339 7.932 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.243 -17.285 5.147 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.470 -18.484 5.503 1.00 0.00 H new ATOM 22 N ILE A 3 2.430 -15.314 6.718 1.00 0.00 N ATOM 23 CA ILE A 3 3.382 -14.212 6.617 1.00 0.00 C ATOM 24 C ILE A 3 2.855 -13.003 7.412 1.00 0.00 C ATOM 25 O ILE A 3 3.326 -11.872 7.266 1.00 0.00 O ATOM 26 CB ILE A 3 3.607 -13.847 5.124 1.00 0.00 C ATOM 27 CG1 ILE A 3 4.767 -12.845 4.959 1.00 0.00 C ATOM 28 CG2 ILE A 3 2.319 -13.306 4.508 1.00 0.00 C ATOM 29 CD1 ILE A 3 5.103 -12.524 3.517 1.00 0.00 C ATOM 0 H ILE A 3 1.515 -15.110 6.316 1.00 0.00 H new ATOM 0 HA ILE A 3 4.341 -14.511 7.041 1.00 0.00 H new ATOM 0 HB ILE A 3 3.886 -14.756 4.591 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.511 -11.920 5.476 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.654 -13.248 5.447 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.494 -13.055 3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.538 -14.063 4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.005 -12.413 5.048 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.928 -11.813 3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.392 -13.438 2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.231 -12.090 3.028 1.00 0.00 H new ATOM 41 N ARG A 4 1.885 -13.275 8.288 1.00 0.00 N ATOM 42 CA ARG A 4 1.222 -12.234 9.081 1.00 0.00 C ATOM 43 C ARG A 4 2.221 -11.474 9.957 1.00 0.00 C ATOM 44 O ARG A 4 2.023 -10.297 10.261 1.00 0.00 O ATOM 45 CB ARG A 4 0.122 -12.850 9.958 1.00 0.00 C ATOM 46 CG ARG A 4 -0.688 -11.826 10.755 1.00 0.00 C ATOM 47 CD ARG A 4 -1.642 -12.499 11.736 1.00 0.00 C ATOM 48 NE ARG A 4 -2.437 -11.524 12.490 1.00 0.00 N ATOM 49 CZ ARG A 4 -2.226 -11.215 13.770 1.00 0.00 C ATOM 50 NH1 ARG A 4 -1.230 -11.777 14.443 1.00 0.00 N ATOM 51 NH2 ARG A 4 -3.012 -10.336 14.377 1.00 0.00 N ATOM 0 H ARG A 4 1.538 -14.217 8.468 1.00 0.00 H new ATOM 0 HA ARG A 4 0.774 -11.525 8.385 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -0.557 -13.420 9.324 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.578 -13.556 10.652 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.009 -11.170 11.300 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -1.256 -11.198 10.069 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.310 -13.167 11.191 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.071 -13.116 12.431 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.200 -11.052 12.004 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -0.619 -12.451 13.982 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -1.075 -11.535 15.422 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.777 -9.897 13.865 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.851 -10.099 15.356 1.00 0.00 H new ATOM 65 N ASP A 5 3.291 -12.153 10.358 1.00 0.00 N ATOM 66 CA ASP A 5 4.333 -11.531 11.171 1.00 0.00 C ATOM 67 C ASP A 5 4.901 -10.315 10.447 1.00 0.00 C ATOM 68 O ASP A 5 5.047 -9.243 11.035 1.00 0.00 O ATOM 69 CB ASP A 5 5.448 -12.534 11.488 1.00 0.00 C ATOM 70 CG ASP A 5 4.944 -13.727 12.279 1.00 0.00 C ATOM 71 OD1 ASP A 5 4.411 -14.673 11.660 1.00 0.00 O ATOM 72 OD2 ASP A 5 5.064 -13.720 13.523 1.00 0.00 O ATOM 0 H ASP A 5 3.460 -13.134 10.134 1.00 0.00 H new ATOM 0 HA ASP A 5 3.891 -11.208 12.114 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.896 -12.882 10.557 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.234 -12.033 12.053 1.00 0.00 H new ATOM 77 N TYR A 6 5.202 -10.490 9.157 1.00 0.00 N ATOM 78 CA TYR A 6 5.616 -9.377 8.303 1.00 0.00 C ATOM 79 C TYR A 6 4.550 -8.284 8.329 1.00 0.00 C ATOM 80 O TYR A 6 4.869 -7.105 8.475 1.00 0.00 O ATOM 81 CB TYR A 6 5.881 -9.860 6.854 1.00 0.00 C ATOM 82 CG TYR A 6 5.364 -8.918 5.770 1.00 0.00 C ATOM 83 CD1 TYR A 6 6.025 -7.730 5.456 1.00 0.00 C ATOM 84 CD2 TYR A 6 4.194 -9.212 5.077 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.531 -6.875 4.485 1.00 0.00 C ATOM 86 CE2 TYR A 6 3.697 -8.361 4.112 1.00 0.00 C ATOM 87 CZ TYR A 6 4.365 -7.195 3.820 1.00 0.00 C ATOM 88 OH TYR A 6 3.863 -6.348 2.861 1.00 0.00 O ATOM 0 H TYR A 6 5.166 -11.392 8.683 1.00 0.00 H new ATOM 0 HA TYR A 6 6.549 -8.966 8.688 1.00 0.00 H new ATOM 0 HB2 TYR A 6 6.954 -9.994 6.720 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.418 -10.838 6.720 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.935 -7.473 5.978 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.664 -10.126 5.299 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.056 -5.961 4.249 1.00 0.00 H new ATOM 0 HE2 TYR A 6 2.786 -8.610 3.587 1.00 0.00 H new ATOM 0 HH TYR A 6 4.554 -6.168 2.189 1.00 0.00 H new ATOM 98 N ASN A 7 3.281 -8.694 8.223 1.00 0.00 N ATOM 99 CA ASN A 7 2.165 -7.745 8.214 1.00 0.00 C ATOM 100 C ASN A 7 2.253 -6.837 9.436 1.00 0.00 C ATOM 101 O ASN A 7 2.709 -5.694 9.346 1.00 0.00 O ATOM 102 CB ASN A 7 0.797 -8.466 8.211 1.00 0.00 C ATOM 103 CG ASN A 7 0.452 -9.180 6.908 1.00 0.00 C ATOM 104 OD1 ASN A 7 -0.720 -9.299 6.555 1.00 0.00 O ATOM 105 ND2 ASN A 7 1.448 -9.676 6.196 1.00 0.00 N ATOM 0 H ASN A 7 3.003 -9.672 8.143 1.00 0.00 H new ATOM 0 HA ASN A 7 2.239 -7.156 7.300 1.00 0.00 H new ATOM 0 HB2 ASN A 7 0.784 -9.194 9.022 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.017 -7.736 8.426 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.255 -10.174 5.327 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.410 -9.561 6.515 1.00 0.00 H new ATOM 112 N ASP A 8 1.873 -7.387 10.584 1.00 0.00 N ATOM 113 CA ASP A 8 1.825 -6.634 11.834 1.00 0.00 C ATOM 114 C ASP A 8 3.164 -5.968 12.137 1.00 0.00 C ATOM 115 O ASP A 8 3.248 -4.740 12.220 1.00 0.00 O ATOM 116 CB ASP A 8 1.428 -7.558 12.999 1.00 0.00 C ATOM 117 CG ASP A 8 -0.035 -7.975 12.957 1.00 0.00 C ATOM 118 OD1 ASP A 8 -0.447 -8.626 11.974 1.00 0.00 O ATOM 119 OD2 ASP A 8 -0.778 -7.661 13.917 1.00 0.00 O ATOM 0 H ASP A 8 1.591 -8.363 10.675 1.00 0.00 H new ATOM 0 HA ASP A 8 1.074 -5.852 11.720 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.055 -8.450 12.978 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.628 -7.050 13.942 1.00 0.00 H new ATOM 124 N ALA A 9 4.211 -6.780 12.267 1.00 0.00 N ATOM 125 CA ALA A 9 5.506 -6.295 12.733 1.00 0.00 C ATOM 126 C ALA A 9 6.118 -5.285 11.765 1.00 0.00 C ATOM 127 O ALA A 9 6.397 -4.145 12.143 1.00 0.00 O ATOM 128 CB ALA A 9 6.463 -7.459 12.965 1.00 0.00 C ATOM 0 H ALA A 9 4.187 -7.778 12.056 1.00 0.00 H new ATOM 0 HA ALA A 9 5.339 -5.782 13.680 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.423 -7.077 13.312 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.046 -8.129 13.717 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.605 -8.004 12.032 1.00 0.00 H new ATOM 134 N ASP A 10 6.302 -5.686 10.509 1.00 0.00 N ATOM 135 CA ASP A 10 7.055 -4.864 9.565 1.00 0.00 C ATOM 136 C ASP A 10 6.278 -3.601 9.208 1.00 0.00 C ATOM 137 O ASP A 10 6.837 -2.497 9.230 1.00 0.00 O ATOM 138 CB ASP A 10 7.405 -5.660 8.302 1.00 0.00 C ATOM 139 CG ASP A 10 8.415 -4.939 7.424 1.00 0.00 C ATOM 140 OD1 ASP A 10 9.618 -4.949 7.777 1.00 0.00 O ATOM 141 OD2 ASP A 10 8.025 -4.390 6.378 1.00 0.00 O ATOM 0 H ASP A 10 5.946 -6.562 10.126 1.00 0.00 H new ATOM 0 HA ASP A 10 7.987 -4.567 10.046 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.805 -6.633 8.588 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.496 -5.845 7.729 1.00 0.00 H new ATOM 146 N MET A 11 4.979 -3.750 8.930 1.00 0.00 N ATOM 147 CA MET A 11 4.152 -2.601 8.572 1.00 0.00 C ATOM 148 C MET A 11 4.072 -1.625 9.745 1.00 0.00 C ATOM 149 O MET A 11 4.092 -0.412 9.548 1.00 0.00 O ATOM 150 CB MET A 11 2.743 -3.037 8.140 1.00 0.00 C ATOM 151 CG MET A 11 2.692 -3.878 6.860 1.00 0.00 C ATOM 152 SD MET A 11 2.963 -2.921 5.345 1.00 0.00 S ATOM 153 CE MET A 11 4.752 -2.906 5.207 1.00 0.00 C ATOM 0 H MET A 11 4.486 -4.643 8.946 1.00 0.00 H new ATOM 0 HA MET A 11 4.619 -2.100 7.724 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.291 -3.608 8.951 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.131 -2.147 7.997 1.00 0.00 H new ATOM 0 HG2 MET A 11 3.445 -4.663 6.922 1.00 0.00 H new ATOM 0 HG3 MET A 11 1.722 -4.371 6.799 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.117 -1.885 5.316 1.00 0.00 H new ATOM 0 HE2 MET A 11 5.183 -3.530 5.990 1.00 0.00 H new ATOM 0 HE3 MET A 11 5.045 -3.294 4.231 1.00 0.00 H new ATOM 163 N ALA A 12 4.003 -2.154 10.969 1.00 0.00 N ATOM 164 CA ALA A 12 3.995 -1.300 12.156 1.00 0.00 C ATOM 165 C ALA A 12 5.283 -0.482 12.232 1.00 0.00 C ATOM 166 O ALA A 12 5.247 0.740 12.367 1.00 0.00 O ATOM 167 CB ALA A 12 3.817 -2.127 13.425 1.00 0.00 C ATOM 0 H ALA A 12 3.953 -3.154 11.162 1.00 0.00 H new ATOM 0 HA ALA A 12 3.149 -0.617 12.075 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.815 -1.467 14.292 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.871 -2.667 13.378 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.638 -2.839 13.513 1.00 0.00 H new ATOM 173 N ARG A 13 6.420 -1.170 12.105 1.00 0.00 N ATOM 174 CA ARG A 13 7.731 -0.527 12.222 1.00 0.00 C ATOM 175 C ARG A 13 7.886 0.604 11.207 1.00 0.00 C ATOM 176 O ARG A 13 8.351 1.695 11.547 1.00 0.00 O ATOM 177 CB ARG A 13 8.863 -1.548 12.029 1.00 0.00 C ATOM 178 CG ARG A 13 8.883 -2.664 13.069 1.00 0.00 C ATOM 179 CD ARG A 13 10.095 -3.578 12.909 1.00 0.00 C ATOM 180 NE ARG A 13 10.193 -4.159 11.561 1.00 0.00 N ATOM 181 CZ ARG A 13 11.001 -5.173 11.240 1.00 0.00 C ATOM 182 NH1 ARG A 13 11.723 -5.775 12.182 1.00 0.00 N ATOM 183 NH2 ARG A 13 11.070 -5.597 9.982 1.00 0.00 N ATOM 0 H ARG A 13 6.459 -2.173 11.921 1.00 0.00 H new ATOM 0 HA ARG A 13 7.797 -0.108 13.226 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.771 -1.992 11.038 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.818 -1.024 12.056 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.888 -2.228 14.068 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.971 -3.254 12.984 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.002 -3.013 13.124 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.039 -4.381 13.643 1.00 0.00 H new ATOM 0 HE ARG A 13 9.607 -3.763 10.826 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.660 -5.462 13.151 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.340 -6.549 11.935 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.506 -5.148 9.261 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.687 -6.371 9.738 1.00 0.00 H new ATOM 197 N LEU A 14 7.496 0.336 9.964 1.00 0.00 N ATOM 198 CA LEU A 14 7.665 1.306 8.880 1.00 0.00 C ATOM 199 C LEU A 14 6.633 2.436 8.970 1.00 0.00 C ATOM 200 O LEU A 14 6.989 3.617 8.970 1.00 0.00 O ATOM 201 CB LEU A 14 7.555 0.600 7.518 1.00 0.00 C ATOM 202 CG LEU A 14 7.706 1.508 6.282 1.00 0.00 C ATOM 203 CD1 LEU A 14 9.077 2.181 6.261 1.00 0.00 C ATOM 204 CD2 LEU A 14 7.474 0.712 4.999 1.00 0.00 C ATOM 0 H LEU A 14 7.061 -0.542 9.680 1.00 0.00 H new ATOM 0 HA LEU A 14 8.656 1.749 8.980 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.317 -0.178 7.470 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.587 0.102 7.464 1.00 0.00 H new ATOM 0 HG LEU A 14 6.949 2.290 6.342 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.157 2.816 5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.198 2.789 7.158 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.856 1.419 6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.585 1.370 4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.203 -0.096 4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.468 0.292 5.008 1.00 0.00 H new ATOM 216 N LEU A 15 5.357 2.073 9.065 1.00 0.00 N ATOM 217 CA LEU A 15 4.269 3.050 8.990 1.00 0.00 C ATOM 218 C LEU A 15 4.136 3.857 10.283 1.00 0.00 C ATOM 219 O LEU A 15 3.491 4.912 10.290 1.00 0.00 O ATOM 220 CB LEU A 15 2.938 2.370 8.630 1.00 0.00 C ATOM 221 CG LEU A 15 2.805 1.917 7.159 1.00 0.00 C ATOM 222 CD1 LEU A 15 3.035 3.086 6.207 1.00 0.00 C ATOM 223 CD2 LEU A 15 3.767 0.774 6.840 1.00 0.00 C ATOM 0 H LEU A 15 5.048 1.109 9.194 1.00 0.00 H new ATOM 0 HA LEU A 15 4.521 3.750 8.194 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.807 1.500 9.274 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.124 3.059 8.856 1.00 0.00 H new ATOM 0 HG LEU A 15 1.788 1.551 7.019 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.936 2.742 5.178 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.297 3.864 6.402 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.036 3.489 6.360 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.648 0.479 5.797 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.792 1.103 7.009 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.548 -0.077 7.485 1.00 0.00 H new ATOM 235 N GLU A 16 4.749 3.378 11.366 1.00 0.00 N ATOM 236 CA GLU A 16 4.795 4.147 12.612 1.00 0.00 C ATOM 237 C GLU A 16 5.407 5.521 12.336 1.00 0.00 C ATOM 238 O GLU A 16 5.003 6.531 12.919 1.00 0.00 O ATOM 239 CB GLU A 16 5.623 3.416 13.682 1.00 0.00 C ATOM 240 CG GLU A 16 5.595 4.086 15.056 1.00 0.00 C ATOM 241 CD GLU A 16 4.261 3.919 15.775 1.00 0.00 C ATOM 242 OE1 GLU A 16 3.261 4.541 15.356 1.00 0.00 O ATOM 243 OE2 GLU A 16 4.203 3.165 16.767 1.00 0.00 O ATOM 0 H GLU A 16 5.216 2.472 11.407 1.00 0.00 H new ATOM 0 HA GLU A 16 3.778 4.261 12.988 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.252 2.396 13.779 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.657 3.348 13.343 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.389 3.667 15.674 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.808 5.149 14.940 1.00 0.00 H new ATOM 250 N GLN A 17 6.373 5.543 11.416 1.00 0.00 N ATOM 251 CA GLN A 17 7.041 6.777 11.023 1.00 0.00 C ATOM 252 C GLN A 17 6.046 7.743 10.383 1.00 0.00 C ATOM 253 O GLN A 17 6.055 8.935 10.670 1.00 0.00 O ATOM 254 CB GLN A 17 8.194 6.479 10.052 1.00 0.00 C ATOM 255 CG GLN A 17 8.959 7.719 9.609 1.00 0.00 C ATOM 256 CD GLN A 17 10.116 7.400 8.681 1.00 0.00 C ATOM 257 OE1 GLN A 17 11.241 7.180 9.126 1.00 0.00 O ATOM 258 NE2 GLN A 17 9.846 7.373 7.386 1.00 0.00 N ATOM 0 H GLN A 17 6.709 4.712 10.929 1.00 0.00 H new ATOM 0 HA GLN A 17 7.453 7.244 11.918 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.888 5.786 10.528 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.795 5.976 9.171 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.274 8.402 9.106 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.338 8.239 10.489 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.899 7.561 7.059 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.585 7.164 6.715 1.00 0.00 H new ATOM 267 N TRP A 18 5.170 7.212 9.535 1.00 0.00 N ATOM 268 CA TRP A 18 4.176 8.032 8.842 1.00 0.00 C ATOM 269 C TRP A 18 3.244 8.714 9.843 1.00 0.00 C ATOM 270 O TRP A 18 2.916 9.896 9.698 1.00 0.00 O ATOM 271 CB TRP A 18 3.372 7.176 7.855 1.00 0.00 C ATOM 272 CG TRP A 18 4.163 6.763 6.649 1.00 0.00 C ATOM 273 CD1 TRP A 18 5.184 5.854 6.606 1.00 0.00 C ATOM 274 CD2 TRP A 18 4.000 7.248 5.313 1.00 0.00 C ATOM 275 NE1 TRP A 18 5.661 5.746 5.321 1.00 0.00 N ATOM 276 CE2 TRP A 18 4.950 6.591 4.512 1.00 0.00 C ATOM 277 CE3 TRP A 18 3.137 8.175 4.717 1.00 0.00 C ATOM 278 CZ2 TRP A 18 5.064 6.831 3.146 1.00 0.00 C ATOM 279 CZ3 TRP A 18 3.253 8.413 3.362 1.00 0.00 C ATOM 280 CH2 TRP A 18 4.208 7.741 2.588 1.00 0.00 C ATOM 0 H TRP A 18 5.127 6.218 9.310 1.00 0.00 H new ATOM 0 HA TRP A 18 4.700 8.807 8.283 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.011 6.284 8.368 1.00 0.00 H new ATOM 0 HB3 TRP A 18 2.494 7.735 7.531 1.00 0.00 H new ATOM 0 HD1 TRP A 18 5.560 5.303 7.455 1.00 0.00 H new ATOM 0 HE1 TRP A 18 6.421 5.136 5.020 1.00 0.00 H new ATOM 0 HE3 TRP A 18 2.395 8.694 5.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 5.802 6.317 2.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.596 9.129 2.891 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.270 7.945 1.529 1.00 0.00 H new ATOM 291 N GLU A 19 2.834 7.968 10.867 1.00 0.00 N ATOM 292 CA GLU A 19 2.020 8.530 11.941 1.00 0.00 C ATOM 293 C GLU A 19 2.829 9.578 12.700 1.00 0.00 C ATOM 294 O GLU A 19 2.335 10.659 13.015 1.00 0.00 O ATOM 295 CB GLU A 19 1.534 7.425 12.892 1.00 0.00 C ATOM 296 CG GLU A 19 0.589 6.421 12.235 1.00 0.00 C ATOM 297 CD GLU A 19 0.043 5.390 13.213 1.00 0.00 C ATOM 298 OE1 GLU A 19 -0.407 5.785 14.310 1.00 0.00 O ATOM 299 OE2 GLU A 19 0.032 4.182 12.881 1.00 0.00 O ATOM 0 H GLU A 19 3.051 6.977 10.975 1.00 0.00 H new ATOM 0 HA GLU A 19 1.141 9.006 11.507 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.399 6.892 13.287 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.028 7.885 13.741 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.243 6.958 11.780 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.116 5.907 11.431 1.00 0.00 H new ATOM 306 N LYS A 20 4.092 9.243 12.957 1.00 0.00 N ATOM 307 CA LYS A 20 5.034 10.148 13.610 1.00 0.00 C ATOM 308 C LYS A 20 5.091 11.497 12.888 1.00 0.00 C ATOM 309 O LYS A 20 4.926 12.545 13.507 1.00 0.00 O ATOM 310 CB LYS A 20 6.434 9.492 13.661 1.00 0.00 C ATOM 311 CG LYS A 20 7.600 10.430 13.330 1.00 0.00 C ATOM 312 CD LYS A 20 8.913 9.667 13.168 1.00 0.00 C ATOM 313 CE LYS A 20 10.031 10.553 12.627 1.00 0.00 C ATOM 314 NZ LYS A 20 9.729 11.086 11.268 1.00 0.00 N ATOM 0 H LYS A 20 4.491 8.335 12.718 1.00 0.00 H new ATOM 0 HA LYS A 20 4.692 10.335 14.628 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.590 9.080 14.658 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.452 8.654 12.964 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.380 10.974 12.411 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.706 11.172 14.122 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.213 9.254 14.131 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.761 8.824 12.494 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.195 11.385 13.312 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.959 9.982 12.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.579 11.019 10.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.961 10.530 10.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.436 12.081 11.343 1.00 0.00 H new ATOM 328 N ASP A 21 5.309 11.455 11.575 1.00 0.00 N ATOM 329 CA ASP A 21 5.494 12.669 10.777 1.00 0.00 C ATOM 330 C ASP A 21 4.202 13.462 10.664 1.00 0.00 C ATOM 331 O ASP A 21 4.226 14.694 10.647 1.00 0.00 O ATOM 332 CB ASP A 21 6.042 12.324 9.388 1.00 0.00 C ATOM 333 CG ASP A 21 7.509 11.921 9.443 1.00 0.00 C ATOM 334 OD1 ASP A 21 8.372 12.818 9.540 1.00 0.00 O ATOM 335 OD2 ASP A 21 7.806 10.710 9.434 1.00 0.00 O ATOM 0 H ASP A 21 5.362 10.590 11.038 1.00 0.00 H new ATOM 0 HA ASP A 21 6.223 13.296 11.290 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.457 11.510 8.958 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.926 13.183 8.728 1.00 0.00 H new ATOM 340 N ASP A 22 3.078 12.757 10.584 1.00 0.00 N ATOM 341 CA ASP A 22 1.769 13.409 10.598 1.00 0.00 C ATOM 342 C ASP A 22 1.639 14.251 11.872 1.00 0.00 C ATOM 343 O ASP A 22 1.303 15.444 11.824 1.00 0.00 O ATOM 344 CB ASP A 22 0.651 12.354 10.516 1.00 0.00 C ATOM 345 CG ASP A 22 -0.748 12.956 10.475 1.00 0.00 C ATOM 346 OD1 ASP A 22 -1.316 13.235 11.548 1.00 0.00 O ATOM 347 OD2 ASP A 22 -1.291 13.135 9.364 1.00 0.00 O ATOM 0 H ASP A 22 3.045 11.740 10.509 1.00 0.00 H new ATOM 0 HA ASP A 22 1.674 14.064 9.732 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.802 11.744 9.625 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.727 11.688 11.375 1.00 0.00 H new ATOM 352 N ASP A 23 1.966 13.628 13.005 1.00 0.00 N ATOM 353 CA ASP A 23 1.943 14.306 14.303 1.00 0.00 C ATOM 354 C ASP A 23 2.942 15.463 14.338 1.00 0.00 C ATOM 355 O ASP A 23 2.623 16.556 14.811 1.00 0.00 O ATOM 356 CB ASP A 23 2.270 13.329 15.442 1.00 0.00 C ATOM 357 CG ASP A 23 1.205 12.264 15.664 1.00 0.00 C ATOM 358 OD1 ASP A 23 0.003 12.607 15.677 1.00 0.00 O ATOM 359 OD2 ASP A 23 1.570 11.079 15.859 1.00 0.00 O ATOM 0 H ASP A 23 2.251 12.650 13.050 1.00 0.00 H new ATOM 0 HA ASP A 23 0.935 14.697 14.442 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.220 12.840 15.227 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.404 13.893 16.365 1.00 0.00 H new ATOM 364 N ILE A 24 4.150 15.217 13.839 1.00 0.00 N ATOM 365 CA ILE A 24 5.205 16.232 13.842 1.00 0.00 C ATOM 366 C ILE A 24 4.763 17.473 13.070 1.00 0.00 C ATOM 367 O ILE A 24 4.986 18.604 13.510 1.00 0.00 O ATOM 368 CB ILE A 24 6.535 15.692 13.244 1.00 0.00 C ATOM 369 CG1 ILE A 24 7.119 14.588 14.143 1.00 0.00 C ATOM 370 CG2 ILE A 24 7.550 16.823 13.057 1.00 0.00 C ATOM 371 CD1 ILE A 24 8.416 13.996 13.625 1.00 0.00 C ATOM 0 H ILE A 24 4.425 14.325 13.427 1.00 0.00 H new ATOM 0 HA ILE A 24 5.386 16.498 14.883 1.00 0.00 H new ATOM 0 HB ILE A 24 6.319 15.266 12.264 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.290 14.996 15.139 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.383 13.791 14.247 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.471 16.419 12.638 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.140 17.571 12.379 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.762 17.285 14.021 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.764 13.225 14.313 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.248 13.556 12.642 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.169 14.781 13.548 1.00 0.00 H new ATOM 383 N GLU A 25 4.117 17.262 11.928 1.00 0.00 N ATOM 384 CA GLU A 25 3.654 18.372 11.108 1.00 0.00 C ATOM 385 C GLU A 25 2.350 18.945 11.667 1.00 0.00 C ATOM 386 O GLU A 25 1.917 20.030 11.271 1.00 0.00 O ATOM 387 CB GLU A 25 3.499 17.951 9.640 1.00 0.00 C ATOM 388 CG GLU A 25 3.296 19.127 8.687 1.00 0.00 C ATOM 389 CD GLU A 25 4.353 20.213 8.854 1.00 0.00 C ATOM 390 OE1 GLU A 25 5.483 20.039 8.354 1.00 0.00 O ATOM 391 OE2 GLU A 25 4.061 21.241 9.501 1.00 0.00 O ATOM 0 H GLU A 25 3.904 16.338 11.552 1.00 0.00 H new ATOM 0 HA GLU A 25 4.408 19.158 11.141 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.385 17.395 9.334 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.651 17.272 9.553 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.315 18.763 7.660 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.309 19.558 8.855 1.00 0.00 H new ATOM 398 N GLU A 26 1.718 18.216 12.589 1.00 0.00 N ATOM 399 CA GLU A 26 0.638 18.790 13.396 1.00 0.00 C ATOM 400 C GLU A 26 1.225 19.823 14.369 1.00 0.00 C ATOM 401 O GLU A 26 0.504 20.615 14.979 1.00 0.00 O ATOM 402 CB GLU A 26 -0.132 17.696 14.148 1.00 0.00 C ATOM 403 CG GLU A 26 -1.337 18.221 14.925 1.00 0.00 C ATOM 404 CD GLU A 26 -2.208 17.113 15.485 1.00 0.00 C ATOM 405 OE1 GLU A 26 -3.028 16.558 14.726 1.00 0.00 O ATOM 406 OE2 GLU A 26 -2.096 16.803 16.691 1.00 0.00 O ATOM 0 H GLU A 26 1.931 17.240 12.794 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.073 19.287 12.736 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.470 16.945 13.434 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.546 17.196 14.840 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.988 18.851 15.744 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.938 18.852 14.270 1.00 0.00 H new ATOM 413 N GLY A 27 2.553 19.817 14.470 1.00 0.00 N ATOM 414 CA GLY A 27 3.275 20.840 15.209 1.00 0.00 C ATOM 415 C GLY A 27 3.583 20.470 16.649 1.00 0.00 C ATOM 416 O GLY A 27 3.715 21.352 17.502 1.00 0.00 O ATOM 0 H GLY A 27 3.150 19.108 14.045 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.211 21.052 14.692 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.690 21.760 15.200 1.00 0.00 H new ATOM 420 N ASP A 28 3.716 19.174 16.923 1.00 0.00 N ATOM 421 CA ASP A 28 4.222 18.711 18.216 1.00 0.00 C ATOM 422 C ASP A 28 4.864 17.336 18.062 1.00 0.00 C ATOM 423 O ASP A 28 4.511 16.574 17.162 1.00 0.00 O ATOM 424 CB ASP A 28 3.121 18.684 19.295 1.00 0.00 C ATOM 425 CG ASP A 28 2.165 17.505 19.178 1.00 0.00 C ATOM 426 OD1 ASP A 28 1.279 17.532 18.298 1.00 0.00 O ATOM 427 OD2 ASP A 28 2.269 16.565 20.000 1.00 0.00 O ATOM 0 H ASP A 28 3.481 18.427 16.270 1.00 0.00 H new ATOM 0 HA ASP A 28 4.976 19.423 18.552 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.591 18.661 20.278 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.548 19.610 19.238 1.00 0.00 H new ATOM 432 N LEU A 29 5.823 17.038 18.932 1.00 0.00 N ATOM 433 CA LEU A 29 6.567 15.781 18.862 1.00 0.00 C ATOM 434 C LEU A 29 5.820 14.677 19.608 1.00 0.00 C ATOM 435 O LEU A 29 5.643 14.755 20.825 1.00 0.00 O ATOM 436 CB LEU A 29 7.985 15.954 19.443 1.00 0.00 C ATOM 437 CG LEU A 29 8.963 16.788 18.587 1.00 0.00 C ATOM 438 CD1 LEU A 29 9.131 16.175 17.199 1.00 0.00 C ATOM 439 CD2 LEU A 29 8.508 18.244 18.484 1.00 0.00 C ATOM 0 H LEU A 29 6.106 17.651 19.697 1.00 0.00 H new ATOM 0 HA LEU A 29 6.657 15.495 17.814 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.901 16.421 20.424 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.418 14.965 19.597 1.00 0.00 H new ATOM 0 HG LEU A 29 9.932 16.775 19.086 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.824 16.781 16.615 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.524 15.163 17.293 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.165 16.143 16.696 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.217 18.805 17.875 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.522 18.285 18.022 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.460 18.682 19.481 1.00 0.00 H new ATOM 451 N LEU A 62 -5.093 7.859 4.463 1.00 0.00 N ATOM 452 CA LEU A 62 -5.379 6.894 3.414 1.00 0.00 C ATOM 453 C LEU A 62 -4.103 6.164 3.008 1.00 0.00 C ATOM 454 O LEU A 62 -3.280 6.689 2.260 1.00 0.00 O ATOM 455 CB LEU A 62 -6.018 7.600 2.200 1.00 0.00 C ATOM 456 CG LEU A 62 -6.913 6.725 1.294 1.00 0.00 C ATOM 457 CD1 LEU A 62 -6.120 5.613 0.611 1.00 0.00 C ATOM 458 CD2 LEU A 62 -8.074 6.139 2.095 1.00 0.00 C ATOM 0 HA LEU A 62 -6.088 6.158 3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.614 8.436 2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.219 8.020 1.589 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.313 7.369 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.788 5.022 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.336 6.052 -0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.669 4.970 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.694 5.526 1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.683 5.524 2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.675 6.948 2.510 1.00 0.00 H new ATOM 470 N MET A 63 -3.935 4.959 3.536 1.00 0.00 N ATOM 471 CA MET A 63 -2.876 4.055 3.099 1.00 0.00 C ATOM 472 C MET A 63 -3.478 2.675 2.909 1.00 0.00 C ATOM 473 O MET A 63 -4.293 2.235 3.728 1.00 0.00 O ATOM 474 CB MET A 63 -1.715 3.985 4.109 1.00 0.00 C ATOM 475 CG MET A 63 -1.178 5.347 4.540 1.00 0.00 C ATOM 476 SD MET A 63 0.324 5.227 5.538 1.00 0.00 S ATOM 477 CE MET A 63 -0.257 4.248 6.920 1.00 0.00 C ATOM 0 H MET A 63 -4.526 4.580 4.276 1.00 0.00 H new ATOM 0 HA MET A 63 -2.461 4.433 2.165 1.00 0.00 H new ATOM 0 HB2 MET A 63 -2.050 3.443 4.993 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.901 3.408 3.670 1.00 0.00 H new ATOM 0 HG2 MET A 63 -0.972 5.948 3.654 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.946 5.871 5.109 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.086 4.696 7.853 1.00 0.00 H new ATOM 0 HE2 MET A 63 -1.347 4.217 6.911 1.00 0.00 H new ATOM 0 HE3 MET A 63 0.135 3.234 6.838 1.00 0.00 H new ATOM 487 N MET A 64 -3.105 2.007 1.826 1.00 0.00 N ATOM 488 CA MET A 64 -3.672 0.708 1.491 1.00 0.00 C ATOM 489 C MET A 64 -2.591 -0.364 1.424 1.00 0.00 C ATOM 490 O MET A 64 -1.664 -0.281 0.619 1.00 0.00 O ATOM 491 CB MET A 64 -4.429 0.776 0.155 1.00 0.00 C ATOM 492 CG MET A 64 -5.674 1.651 0.197 1.00 0.00 C ATOM 493 SD MET A 64 -6.630 1.583 -1.330 1.00 0.00 S ATOM 494 CE MET A 64 -8.028 2.617 -0.902 1.00 0.00 C ATOM 0 H MET A 64 -2.409 2.345 1.162 1.00 0.00 H new ATOM 0 HA MET A 64 -4.373 0.439 2.281 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.756 1.155 -0.614 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.716 -0.233 -0.141 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.305 1.337 1.029 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.381 2.683 0.391 1.00 0.00 H new ATOM 0 HE1 MET A 64 -8.945 2.031 -0.960 1.00 0.00 H new ATOM 0 HE2 MET A 64 -7.903 2.996 0.112 1.00 0.00 H new ATOM 0 HE3 MET A 64 -8.087 3.454 -1.597 1.00 0.00 H new ATOM 504 N PHE A 65 -2.716 -1.357 2.294 1.00 0.00 N ATOM 505 CA PHE A 65 -1.867 -2.541 2.268 1.00 0.00 C ATOM 506 C PHE A 65 -2.570 -3.599 1.422 1.00 0.00 C ATOM 507 O PHE A 65 -3.525 -4.226 1.890 1.00 0.00 O ATOM 508 CB PHE A 65 -1.651 -3.076 3.697 1.00 0.00 C ATOM 509 CG PHE A 65 -1.314 -2.013 4.717 1.00 0.00 C ATOM 510 CD1 PHE A 65 -2.323 -1.283 5.339 1.00 0.00 C ATOM 511 CD2 PHE A 65 0.001 -1.745 5.059 1.00 0.00 C ATOM 512 CE1 PHE A 65 -2.023 -0.312 6.273 1.00 0.00 C ATOM 513 CE2 PHE A 65 0.305 -0.773 5.995 1.00 0.00 C ATOM 514 CZ PHE A 65 -0.707 -0.055 6.601 1.00 0.00 C ATOM 0 H PHE A 65 -3.411 -1.364 3.040 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.892 -2.295 1.846 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.553 -3.597 4.017 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.848 -3.812 3.679 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.355 -1.479 5.087 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.799 -2.302 4.589 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.817 0.246 6.747 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.335 -0.575 6.252 1.00 0.00 H new ATOM 0 HZ PHE A 65 -0.469 0.706 7.330 1.00 0.00 H new ATOM 524 N VAL A 66 -2.128 -3.796 0.181 1.00 0.00 N ATOM 525 CA VAL A 66 -2.870 -4.635 -0.756 1.00 0.00 C ATOM 526 C VAL A 66 -2.348 -6.071 -0.743 1.00 0.00 C ATOM 527 O VAL A 66 -1.278 -6.353 -1.284 1.00 0.00 O ATOM 528 CB VAL A 66 -2.787 -4.075 -2.197 1.00 0.00 C ATOM 529 CG1 VAL A 66 -3.743 -4.819 -3.127 1.00 0.00 C ATOM 530 CG2 VAL A 66 -3.064 -2.571 -2.209 1.00 0.00 C ATOM 0 H VAL A 66 -1.270 -3.391 -0.195 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.911 -4.631 -0.433 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.774 -4.233 -2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.666 -4.407 -4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.481 -5.877 -3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.765 -4.705 -2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.001 -2.198 -3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.062 -2.382 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.327 -2.060 -1.590 1.00 0.00 H new ATOM 540 N THR A 67 -3.109 -6.966 -0.119 1.00 0.00 N ATOM 541 CA THR A 67 -2.764 -8.379 -0.059 1.00 0.00 C ATOM 542 C THR A 67 -3.087 -9.053 -1.391 1.00 0.00 C ATOM 543 O THR A 67 -4.249 -9.338 -1.693 1.00 0.00 O ATOM 544 CB THR A 67 -3.526 -9.089 1.084 1.00 0.00 C ATOM 545 OG1 THR A 67 -3.280 -8.408 2.320 1.00 0.00 O ATOM 546 CG2 THR A 67 -3.107 -10.553 1.212 1.00 0.00 C ATOM 0 H THR A 67 -3.980 -6.731 0.357 1.00 0.00 H new ATOM 0 HA THR A 67 -1.695 -8.459 0.139 1.00 0.00 H new ATOM 0 HB THR A 67 -4.590 -9.062 0.849 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.765 -8.858 3.043 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.662 -11.021 2.025 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.320 -11.075 0.279 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.039 -10.609 1.423 1.00 0.00 H new ATOM 554 N VAL A 68 -2.059 -9.270 -2.200 1.00 0.00 N ATOM 555 CA VAL A 68 -2.238 -9.853 -3.523 1.00 0.00 C ATOM 556 C VAL A 68 -1.869 -11.332 -3.516 1.00 0.00 C ATOM 557 O VAL A 68 -2.705 -12.197 -3.780 1.00 0.00 O ATOM 558 CB VAL A 68 -1.376 -9.124 -4.586 1.00 0.00 C ATOM 559 CG1 VAL A 68 -1.652 -9.678 -5.984 1.00 0.00 C ATOM 560 CG2 VAL A 68 -1.618 -7.616 -4.538 1.00 0.00 C ATOM 0 H VAL A 68 -1.091 -9.051 -1.963 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.290 -9.739 -3.783 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.326 -9.305 -4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.036 -9.151 -6.712 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.413 -10.741 -6.008 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.705 -9.537 -6.230 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.003 -7.125 -5.292 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.670 -7.410 -4.737 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.354 -7.236 -3.551 1.00 0.00 H new ATOM 570 N SER A 69 -0.617 -11.611 -3.185 1.00 0.00 N ATOM 571 CA SER A 69 -0.072 -12.955 -3.311 1.00 0.00 C ATOM 572 C SER A 69 -0.449 -13.835 -2.121 1.00 0.00 C ATOM 573 O SER A 69 -1.220 -14.785 -2.256 1.00 0.00 O ATOM 574 CB SER A 69 1.455 -12.886 -3.456 1.00 0.00 C ATOM 575 OG SER A 69 2.027 -14.178 -3.529 1.00 0.00 O ATOM 0 H SER A 69 0.043 -10.922 -2.826 1.00 0.00 H new ATOM 0 HA SER A 69 -0.504 -13.408 -4.203 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.711 -12.322 -4.353 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.878 -12.347 -2.609 1.00 0.00 H new ATOM 0 HG SER A 69 2.830 -14.212 -2.968 1.00 0.00 H new ATOM 581 N GLY A 70 0.100 -13.509 -0.957 1.00 0.00 N ATOM 582 CA GLY A 70 0.010 -14.394 0.193 1.00 0.00 C ATOM 583 C GLY A 70 1.066 -15.486 0.131 1.00 0.00 C ATOM 584 O GLY A 70 1.294 -16.207 1.102 1.00 0.00 O ATOM 0 H GLY A 70 0.610 -12.642 -0.787 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.133 -13.817 1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.982 -14.845 0.231 1.00 0.00 H new ATOM 588 N ASN A 71 1.721 -15.588 -1.027 1.00 0.00 N ATOM 589 CA ASN A 71 2.796 -16.548 -1.254 1.00 0.00 C ATOM 590 C ASN A 71 4.123 -15.784 -1.341 1.00 0.00 C ATOM 591 O ASN A 71 4.205 -14.765 -2.030 1.00 0.00 O ATOM 592 CB ASN A 71 2.522 -17.336 -2.548 1.00 0.00 C ATOM 593 CG ASN A 71 3.546 -18.423 -2.819 1.00 0.00 C ATOM 594 OD1 ASN A 71 3.411 -19.553 -2.352 1.00 0.00 O ATOM 595 ND2 ASN A 71 4.565 -18.097 -3.596 1.00 0.00 N ATOM 0 H ASN A 71 1.517 -15.002 -1.837 1.00 0.00 H new ATOM 0 HA ASN A 71 2.851 -17.262 -0.432 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.532 -17.787 -2.487 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.506 -16.644 -3.390 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.273 -18.794 -3.827 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.643 -17.149 -3.964 1.00 0.00 H new ATOM 602 N PRO A 72 5.175 -16.260 -0.648 1.00 0.00 N ATOM 603 CA PRO A 72 6.425 -15.498 -0.461 1.00 0.00 C ATOM 604 C PRO A 72 7.208 -15.217 -1.758 1.00 0.00 C ATOM 605 O PRO A 72 8.085 -14.351 -1.767 1.00 0.00 O ATOM 606 CB PRO A 72 7.239 -16.370 0.508 1.00 0.00 C ATOM 607 CG PRO A 72 6.703 -17.747 0.322 1.00 0.00 C ATOM 608 CD PRO A 72 5.237 -17.578 0.021 1.00 0.00 C ATOM 0 HA PRO A 72 6.213 -14.497 -0.086 1.00 0.00 H new ATOM 0 HB2 PRO A 72 8.304 -16.326 0.280 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.119 -16.035 1.538 1.00 0.00 H new ATOM 0 HG2 PRO A 72 7.213 -18.259 -0.494 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.852 -18.349 1.218 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.865 -18.374 -0.624 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.635 -17.596 0.930 1.00 0.00 H new ATOM 616 N THR A 73 6.923 -15.946 -2.842 1.00 0.00 N ATOM 617 CA THR A 73 7.617 -15.720 -4.112 1.00 0.00 C ATOM 618 C THR A 73 7.390 -14.288 -4.623 1.00 0.00 C ATOM 619 O THR A 73 6.274 -13.920 -5.003 1.00 0.00 O ATOM 620 CB THR A 73 7.168 -16.729 -5.195 1.00 0.00 C ATOM 621 OG1 THR A 73 5.743 -16.702 -5.334 1.00 0.00 O ATOM 622 CG2 THR A 73 7.622 -18.144 -4.851 1.00 0.00 C ATOM 0 H THR A 73 6.225 -16.689 -2.866 1.00 0.00 H new ATOM 0 HA THR A 73 8.680 -15.866 -3.919 1.00 0.00 H new ATOM 0 HB THR A 73 7.631 -16.437 -6.138 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.509 -16.501 -6.264 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.292 -18.831 -5.630 1.00 0.00 H new ATOM 0 HG22 THR A 73 8.709 -18.170 -4.781 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.189 -18.443 -3.896 1.00 0.00 H new ATOM 630 N GLU A 74 8.461 -13.489 -4.624 1.00 0.00 N ATOM 631 CA GLU A 74 8.412 -12.092 -5.080 1.00 0.00 C ATOM 632 C GLU A 74 7.923 -11.981 -6.527 1.00 0.00 C ATOM 633 O GLU A 74 7.550 -10.898 -6.983 1.00 0.00 O ATOM 634 CB GLU A 74 9.794 -11.442 -4.923 1.00 0.00 C ATOM 635 CG GLU A 74 10.914 -12.175 -5.657 1.00 0.00 C ATOM 636 CD GLU A 74 12.297 -11.672 -5.275 1.00 0.00 C ATOM 637 OE1 GLU A 74 12.785 -10.714 -5.909 1.00 0.00 O ATOM 638 OE2 GLU A 74 12.906 -12.237 -4.339 1.00 0.00 O ATOM 0 H GLU A 74 9.384 -13.788 -4.310 1.00 0.00 H new ATOM 0 HA GLU A 74 7.693 -11.560 -4.457 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.745 -10.416 -5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.041 -11.391 -3.863 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.847 -13.241 -5.440 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.774 -12.059 -6.732 1.00 0.00 H new ATOM 645 N LYS A 75 7.935 -13.108 -7.230 1.00 0.00 N ATOM 646 CA LYS A 75 7.416 -13.200 -8.598 1.00 0.00 C ATOM 647 C LYS A 75 6.040 -12.536 -8.711 1.00 0.00 C ATOM 648 O LYS A 75 5.826 -11.645 -9.539 1.00 0.00 O ATOM 649 CB LYS A 75 7.281 -14.678 -9.002 1.00 0.00 C ATOM 650 CG LYS A 75 8.536 -15.512 -8.777 1.00 0.00 C ATOM 651 CD LYS A 75 8.248 -17.003 -8.946 1.00 0.00 C ATOM 652 CE LYS A 75 9.509 -17.846 -8.817 1.00 0.00 C ATOM 653 NZ LYS A 75 9.252 -19.277 -9.136 1.00 0.00 N ATOM 0 H LYS A 75 8.305 -13.988 -6.870 1.00 0.00 H new ATOM 0 HA LYS A 75 8.115 -12.686 -9.258 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.460 -15.122 -8.439 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.010 -14.730 -10.056 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.310 -15.207 -9.481 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.925 -15.325 -7.776 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.522 -17.319 -8.197 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.794 -17.176 -9.922 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.277 -17.457 -9.486 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.899 -17.764 -7.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.134 -19.819 -9.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.538 -19.656 -8.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.904 -19.358 -10.113 1.00 0.00 H new ATOM 667 N GLU A 76 5.125 -12.974 -7.849 1.00 0.00 N ATOM 668 CA GLU A 76 3.721 -12.566 -7.913 1.00 0.00 C ATOM 669 C GLU A 76 3.589 -11.047 -7.798 1.00 0.00 C ATOM 670 O GLU A 76 3.010 -10.385 -8.670 1.00 0.00 O ATOM 671 CB GLU A 76 2.912 -13.235 -6.787 1.00 0.00 C ATOM 672 CG GLU A 76 3.329 -14.670 -6.464 1.00 0.00 C ATOM 673 CD GLU A 76 3.388 -15.575 -7.684 1.00 0.00 C ATOM 674 OE1 GLU A 76 2.339 -15.782 -8.327 1.00 0.00 O ATOM 675 OE2 GLU A 76 4.486 -16.083 -7.999 1.00 0.00 O ATOM 0 H GLU A 76 5.334 -13.620 -7.088 1.00 0.00 H new ATOM 0 HA GLU A 76 3.327 -12.884 -8.878 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.006 -12.632 -5.884 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.858 -13.231 -7.065 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.308 -14.656 -5.985 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.627 -15.090 -5.744 1.00 0.00 H new ATOM 682 N THR A 77 4.144 -10.506 -6.716 1.00 0.00 N ATOM 683 CA THR A 77 4.044 -9.081 -6.432 1.00 0.00 C ATOM 684 C THR A 77 4.751 -8.266 -7.515 1.00 0.00 C ATOM 685 O THR A 77 4.330 -7.160 -7.842 1.00 0.00 O ATOM 686 CB THR A 77 4.620 -8.733 -5.035 1.00 0.00 C ATOM 687 OG1 THR A 77 4.415 -7.345 -4.747 1.00 0.00 O ATOM 688 CG2 THR A 77 6.109 -9.057 -4.941 1.00 0.00 C ATOM 0 H THR A 77 4.669 -11.037 -6.021 1.00 0.00 H new ATOM 0 HA THR A 77 2.985 -8.822 -6.429 1.00 0.00 H new ATOM 0 HB THR A 77 4.092 -9.344 -4.303 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.477 -7.199 -3.780 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.475 -8.799 -3.947 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.262 -10.121 -5.119 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.654 -8.482 -5.689 1.00 0.00 H new ATOM 696 N GLU A 78 5.810 -8.834 -8.085 1.00 0.00 N ATOM 697 CA GLU A 78 6.540 -8.184 -9.166 1.00 0.00 C ATOM 698 C GLU A 78 5.623 -7.973 -10.370 1.00 0.00 C ATOM 699 O GLU A 78 5.483 -6.851 -10.870 1.00 0.00 O ATOM 700 CB GLU A 78 7.759 -9.028 -9.560 1.00 0.00 C ATOM 701 CG GLU A 78 8.636 -8.395 -10.633 1.00 0.00 C ATOM 702 CD GLU A 78 9.864 -9.233 -10.944 1.00 0.00 C ATOM 703 OE1 GLU A 78 10.823 -9.203 -10.147 1.00 0.00 O ATOM 704 OE2 GLU A 78 9.875 -9.927 -11.978 1.00 0.00 O ATOM 0 H GLU A 78 6.181 -9.745 -7.815 1.00 0.00 H new ATOM 0 HA GLU A 78 6.888 -7.210 -8.822 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.364 -9.209 -8.672 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.415 -10.000 -9.914 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.052 -8.260 -11.543 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.949 -7.404 -10.305 1.00 0.00 H new ATOM 711 N GLU A 79 4.982 -9.056 -10.811 1.00 0.00 N ATOM 712 CA GLU A 79 4.071 -9.009 -11.955 1.00 0.00 C ATOM 713 C GLU A 79 2.938 -8.007 -11.715 1.00 0.00 C ATOM 714 O GLU A 79 2.723 -7.081 -12.511 1.00 0.00 O ATOM 715 CB GLU A 79 3.475 -10.402 -12.223 1.00 0.00 C ATOM 716 CG GLU A 79 4.506 -11.478 -12.558 1.00 0.00 C ATOM 717 CD GLU A 79 5.273 -11.191 -13.839 1.00 0.00 C ATOM 718 OE1 GLU A 79 4.646 -11.162 -14.921 1.00 0.00 O ATOM 719 OE2 GLU A 79 6.504 -11.009 -13.778 1.00 0.00 O ATOM 0 H GLU A 79 5.078 -9.981 -10.391 1.00 0.00 H new ATOM 0 HA GLU A 79 4.645 -8.687 -12.824 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.912 -10.717 -11.345 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.765 -10.327 -13.047 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.211 -11.567 -11.732 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.001 -12.440 -12.651 1.00 0.00 H new ATOM 726 N ILE A 80 2.229 -8.184 -10.601 1.00 0.00 N ATOM 727 CA ILE A 80 1.034 -7.392 -10.326 1.00 0.00 C ATOM 728 C ILE A 80 1.380 -5.908 -10.132 1.00 0.00 C ATOM 729 O ILE A 80 0.694 -5.031 -10.664 1.00 0.00 O ATOM 730 CB ILE A 80 0.257 -7.932 -9.095 1.00 0.00 C ATOM 731 CG1 ILE A 80 -1.122 -7.260 -8.988 1.00 0.00 C ATOM 732 CG2 ILE A 80 1.049 -7.732 -7.803 1.00 0.00 C ATOM 733 CD1 ILE A 80 -2.022 -7.521 -10.180 1.00 0.00 C ATOM 0 H ILE A 80 2.461 -8.866 -9.878 1.00 0.00 H new ATOM 0 HA ILE A 80 0.386 -7.482 -11.198 1.00 0.00 H new ATOM 0 HB ILE A 80 0.115 -9.003 -9.238 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.619 -7.613 -8.085 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.984 -6.184 -8.877 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.476 -8.121 -6.961 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.998 -8.263 -7.872 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.238 -6.669 -7.653 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.976 -7.015 -10.033 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.546 -7.142 -11.085 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.191 -8.593 -10.280 1.00 0.00 H new ATOM 745 N THR A 81 2.457 -5.634 -9.397 1.00 0.00 N ATOM 746 CA THR A 81 2.896 -4.262 -9.166 1.00 0.00 C ATOM 747 C THR A 81 3.415 -3.640 -10.467 1.00 0.00 C ATOM 748 O THR A 81 3.338 -2.428 -10.657 1.00 0.00 O ATOM 749 CB THR A 81 3.980 -4.194 -8.061 1.00 0.00 C ATOM 750 OG1 THR A 81 3.459 -4.751 -6.844 1.00 0.00 O ATOM 751 CG2 THR A 81 4.434 -2.757 -7.804 1.00 0.00 C ATOM 0 H THR A 81 3.039 -6.344 -8.953 1.00 0.00 H new ATOM 0 HA THR A 81 2.035 -3.689 -8.823 1.00 0.00 H new ATOM 0 HB THR A 81 4.843 -4.767 -8.402 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.605 -5.720 -6.839 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.194 -2.750 -7.023 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.851 -2.338 -8.720 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.581 -2.157 -7.486 1.00 0.00 H new ATOM 759 N SER A 82 3.929 -4.483 -11.367 1.00 0.00 N ATOM 760 CA SER A 82 4.355 -4.028 -12.689 1.00 0.00 C ATOM 761 C SER A 82 3.153 -3.482 -13.461 1.00 0.00 C ATOM 762 O SER A 82 3.201 -2.374 -14.021 1.00 0.00 O ATOM 763 CB SER A 82 5.019 -5.179 -13.463 1.00 0.00 C ATOM 764 OG SER A 82 5.436 -4.769 -14.756 1.00 0.00 O ATOM 0 H SER A 82 4.059 -5.481 -11.203 1.00 0.00 H new ATOM 0 HA SER A 82 5.088 -3.230 -12.571 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.879 -5.546 -12.903 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.319 -6.009 -13.553 1.00 0.00 H new ATOM 0 HG SER A 82 5.855 -5.524 -15.219 1.00 0.00 H new ATOM 770 N LEU A 83 2.070 -4.262 -13.469 1.00 0.00 N ATOM 771 CA LEU A 83 0.826 -3.847 -14.115 1.00 0.00 C ATOM 772 C LEU A 83 0.323 -2.544 -13.497 1.00 0.00 C ATOM 773 O LEU A 83 0.068 -1.555 -14.196 1.00 0.00 O ATOM 774 CB LEU A 83 -0.249 -4.941 -13.971 1.00 0.00 C ATOM 775 CG LEU A 83 0.151 -6.335 -14.489 1.00 0.00 C ATOM 776 CD1 LEU A 83 -0.972 -7.344 -14.247 1.00 0.00 C ATOM 777 CD2 LEU A 83 0.518 -6.276 -15.972 1.00 0.00 C ATOM 0 H LEU A 83 2.031 -5.184 -13.035 1.00 0.00 H new ATOM 0 HA LEU A 83 1.025 -3.688 -15.175 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.517 -5.027 -12.918 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.145 -4.618 -14.502 1.00 0.00 H new ATOM 0 HG LEU A 83 1.030 -6.666 -13.935 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.669 -8.322 -14.620 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.177 -7.411 -13.179 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.872 -7.019 -14.769 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.797 -7.271 -16.318 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.338 -5.920 -16.545 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.357 -5.594 -16.112 1.00 0.00 H new ATOM 789 N TRP A 84 0.214 -2.548 -12.172 1.00 0.00 N ATOM 790 CA TRP A 84 -0.294 -1.399 -11.435 1.00 0.00 C ATOM 791 C TRP A 84 0.609 -0.186 -11.606 1.00 0.00 C ATOM 792 O TRP A 84 0.136 0.948 -11.568 1.00 0.00 O ATOM 793 CB TRP A 84 -0.469 -1.747 -9.952 1.00 0.00 C ATOM 794 CG TRP A 84 -1.576 -2.732 -9.711 1.00 0.00 C ATOM 795 CD1 TRP A 84 -2.529 -3.127 -10.610 1.00 0.00 C ATOM 796 CD2 TRP A 84 -1.860 -3.436 -8.496 1.00 0.00 C ATOM 797 NE1 TRP A 84 -3.378 -4.029 -10.033 1.00 0.00 N ATOM 798 CE2 TRP A 84 -2.992 -4.238 -8.736 1.00 0.00 C ATOM 799 CE3 TRP A 84 -1.264 -3.471 -7.233 1.00 0.00 C ATOM 800 CZ2 TRP A 84 -3.541 -5.063 -7.758 1.00 0.00 C ATOM 801 CZ3 TRP A 84 -1.810 -4.288 -6.263 1.00 0.00 C ATOM 802 CH2 TRP A 84 -2.938 -5.075 -6.531 1.00 0.00 C ATOM 0 H TRP A 84 0.473 -3.341 -11.585 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.270 -1.141 -11.846 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.465 -2.156 -9.567 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.672 -0.835 -9.391 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -2.600 -2.776 -11.629 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -4.171 -4.475 -10.494 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -0.392 -2.870 -7.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -4.410 -5.671 -7.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.360 -4.321 -5.282 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.340 -5.705 -5.751 1.00 0.00 H new ATOM 813 N GLN A 85 1.904 -0.411 -11.803 1.00 0.00 N ATOM 814 CA GLN A 85 2.817 0.685 -12.088 1.00 0.00 C ATOM 815 C GLN A 85 2.426 1.339 -13.409 1.00 0.00 C ATOM 816 O GLN A 85 2.106 2.531 -13.457 1.00 0.00 O ATOM 817 CB GLN A 85 4.272 0.195 -12.151 1.00 0.00 C ATOM 818 CG GLN A 85 5.279 1.311 -12.413 1.00 0.00 C ATOM 819 CD GLN A 85 6.705 0.807 -12.552 1.00 0.00 C ATOM 820 OE1 GLN A 85 7.157 0.486 -13.650 1.00 0.00 O ATOM 821 NE2 GLN A 85 7.422 0.732 -11.442 1.00 0.00 N ATOM 0 H GLN A 85 2.339 -1.333 -11.771 1.00 0.00 H new ATOM 0 HA GLN A 85 2.746 1.415 -11.281 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.523 -0.296 -11.211 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.361 -0.555 -12.937 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.997 1.840 -13.323 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.233 2.033 -11.597 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.011 1.008 -10.550 1.00 0.00 H new ATOM 0 HE22 GLN A 85 8.385 0.399 -11.479 1.00 0.00 H new ATOM 830 N GLY A 86 2.458 0.534 -14.475 1.00 0.00 N ATOM 831 CA GLY A 86 2.051 0.997 -15.794 1.00 0.00 C ATOM 832 C GLY A 86 0.705 1.706 -15.804 1.00 0.00 C ATOM 833 O GLY A 86 0.492 2.620 -16.601 1.00 0.00 O ATOM 0 H GLY A 86 2.762 -0.439 -14.445 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.812 1.674 -16.182 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.008 0.144 -16.471 1.00 0.00 H new ATOM 837 N SER A 87 -0.207 1.279 -14.935 1.00 0.00 N ATOM 838 CA SER A 87 -1.537 1.886 -14.864 1.00 0.00 C ATOM 839 C SER A 87 -1.554 3.151 -13.988 1.00 0.00 C ATOM 840 O SER A 87 -1.716 4.264 -14.495 1.00 0.00 O ATOM 841 CB SER A 87 -2.538 0.858 -14.334 1.00 0.00 C ATOM 842 OG SER A 87 -2.501 -0.328 -15.107 1.00 0.00 O ATOM 0 H SER A 87 -0.053 0.519 -14.272 1.00 0.00 H new ATOM 0 HA SER A 87 -1.819 2.193 -15.871 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.311 0.626 -13.294 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.543 1.279 -14.354 1.00 0.00 H new ATOM 0 HG SER A 87 -1.694 -0.838 -14.885 1.00 0.00 H new ATOM 848 N LEU A 88 -1.355 2.967 -12.679 1.00 0.00 N ATOM 849 CA LEU A 88 -1.507 4.044 -11.691 1.00 0.00 C ATOM 850 C LEU A 88 -0.707 5.291 -12.071 1.00 0.00 C ATOM 851 O LEU A 88 -1.258 6.386 -12.210 1.00 0.00 O ATOM 852 CB LEU A 88 -1.048 3.558 -10.304 1.00 0.00 C ATOM 853 CG LEU A 88 -1.863 2.406 -9.686 1.00 0.00 C ATOM 854 CD1 LEU A 88 -1.156 1.852 -8.452 1.00 0.00 C ATOM 855 CD2 LEU A 88 -3.271 2.871 -9.326 1.00 0.00 C ATOM 0 H LEU A 88 -1.085 2.071 -12.274 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.564 4.311 -11.668 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.008 3.241 -10.378 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.075 4.404 -9.618 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.943 1.611 -10.428 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.746 1.039 -8.029 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.172 1.477 -8.734 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.044 2.643 -7.711 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.828 2.041 -8.891 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.212 3.686 -8.604 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.780 3.219 -10.225 1.00 0.00 H new ATOM 867 N PHE A 89 0.591 5.108 -12.255 1.00 0.00 N ATOM 868 CA PHE A 89 1.509 6.234 -12.409 1.00 0.00 C ATOM 869 C PHE A 89 1.413 6.851 -13.798 1.00 0.00 C ATOM 870 O PHE A 89 1.880 7.968 -14.024 1.00 0.00 O ATOM 871 CB PHE A 89 2.935 5.788 -12.092 1.00 0.00 C ATOM 872 CG PHE A 89 3.030 5.152 -10.728 1.00 0.00 C ATOM 873 CD1 PHE A 89 2.824 5.908 -9.583 1.00 0.00 C ATOM 874 CD2 PHE A 89 3.283 3.796 -10.591 1.00 0.00 C ATOM 875 CE1 PHE A 89 2.878 5.325 -8.333 1.00 0.00 C ATOM 876 CE2 PHE A 89 3.333 3.208 -9.344 1.00 0.00 C ATOM 877 CZ PHE A 89 3.131 3.973 -8.214 1.00 0.00 C ATOM 0 H PHE A 89 1.036 4.191 -12.302 1.00 0.00 H new ATOM 0 HA PHE A 89 1.223 7.011 -11.701 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.271 5.079 -12.848 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.604 6.647 -12.140 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.619 6.965 -9.671 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.443 3.192 -11.472 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.723 5.926 -7.449 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.530 2.150 -9.253 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.171 3.515 -7.237 1.00 0.00 H new ATOM 887 N ASN A 90 0.792 6.130 -14.725 1.00 0.00 N ATOM 888 CA ASN A 90 0.536 6.670 -16.057 1.00 0.00 C ATOM 889 C ASN A 90 -0.696 7.570 -16.011 1.00 0.00 C ATOM 890 O ASN A 90 -0.865 8.463 -16.843 1.00 0.00 O ATOM 891 CB ASN A 90 0.327 5.550 -17.080 1.00 0.00 C ATOM 892 CG ASN A 90 0.243 6.075 -18.505 1.00 0.00 C ATOM 893 OD1 ASN A 90 0.901 7.055 -18.857 1.00 0.00 O ATOM 894 ND2 ASN A 90 -0.568 5.436 -19.332 1.00 0.00 N ATOM 0 H ASN A 90 0.458 5.177 -14.581 1.00 0.00 H new ATOM 0 HA ASN A 90 1.406 7.249 -16.368 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.148 4.836 -17.006 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.588 5.009 -16.840 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -0.664 5.751 -20.297 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.097 4.628 -19.004 1.00 0.00 H new ATOM 901 N ALA A 91 -1.551 7.323 -15.019 1.00 0.00 N ATOM 902 CA ALA A 91 -2.753 8.125 -14.803 1.00 0.00 C ATOM 903 C ALA A 91 -2.457 9.305 -13.874 1.00 0.00 C ATOM 904 O ALA A 91 -3.374 9.986 -13.411 1.00 0.00 O ATOM 905 CB ALA A 91 -3.868 7.253 -14.230 1.00 0.00 C ATOM 0 H ALA A 91 -1.430 6.566 -14.346 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.082 8.526 -15.762 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.760 7.860 -14.072 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.096 6.448 -14.929 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.546 6.828 -13.279 1.00 0.00 H new ATOM 911 N ASN A 92 -1.166 9.530 -13.611 1.00 0.00 N ATOM 912 CA ASN A 92 -0.699 10.667 -12.805 1.00 0.00 C ATOM 913 C ASN A 92 -1.059 10.503 -11.329 1.00 0.00 C ATOM 914 O ASN A 92 -1.163 11.488 -10.596 1.00 0.00 O ATOM 915 CB ASN A 92 -1.251 12.002 -13.344 1.00 0.00 C ATOM 916 CG ASN A 92 -0.668 12.376 -14.698 1.00 0.00 C ATOM 917 OD1 ASN A 92 -1.203 12.008 -15.743 1.00 0.00 O ATOM 918 ND2 ASN A 92 0.430 13.118 -14.688 1.00 0.00 N ATOM 0 H ASN A 92 -0.414 8.930 -13.950 1.00 0.00 H new ATOM 0 HA ASN A 92 0.388 10.685 -12.886 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.336 11.935 -13.426 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.034 12.795 -12.628 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.861 13.404 -15.567 1.00 0.00 H new ATOM 0 HD22 ASN A 92 0.844 13.404 -13.801 1.00 0.00 H new ATOM 925 N TYR A 93 -1.236 9.260 -10.892 1.00 0.00 N ATOM 926 CA TYR A 93 -1.445 8.978 -9.473 1.00 0.00 C ATOM 927 C TYR A 93 -0.139 9.192 -8.705 1.00 0.00 C ATOM 928 O TYR A 93 0.755 8.340 -8.733 1.00 0.00 O ATOM 929 CB TYR A 93 -1.949 7.539 -9.268 1.00 0.00 C ATOM 930 CG TYR A 93 -3.414 7.320 -9.620 1.00 0.00 C ATOM 931 CD1 TYR A 93 -4.048 8.073 -10.604 1.00 0.00 C ATOM 932 CD2 TYR A 93 -4.164 6.353 -8.957 1.00 0.00 C ATOM 933 CE1 TYR A 93 -5.379 7.868 -10.914 1.00 0.00 C ATOM 934 CE2 TYR A 93 -5.494 6.144 -9.262 1.00 0.00 C ATOM 935 CZ TYR A 93 -6.098 6.903 -10.240 1.00 0.00 C ATOM 936 OH TYR A 93 -7.428 6.696 -10.538 1.00 0.00 O ATOM 0 H TYR A 93 -1.239 8.436 -11.494 1.00 0.00 H new ATOM 0 HA TYR A 93 -2.204 9.662 -9.092 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.340 6.866 -9.872 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.794 7.260 -8.226 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.490 8.831 -11.134 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.696 5.755 -8.189 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.854 8.461 -11.681 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.059 5.388 -8.736 1.00 0.00 H new ATOM 0 HH TYR A 93 -7.782 5.979 -9.971 1.00 0.00 H new ATOM 946 N ASP A 94 -0.014 10.343 -8.048 1.00 0.00 N ATOM 947 CA ASP A 94 1.194 10.664 -7.287 1.00 0.00 C ATOM 948 C ASP A 94 1.107 10.079 -5.882 1.00 0.00 C ATOM 949 O ASP A 94 0.946 10.798 -4.894 1.00 0.00 O ATOM 950 CB ASP A 94 1.441 12.184 -7.230 1.00 0.00 C ATOM 951 CG ASP A 94 1.945 12.748 -8.552 1.00 0.00 C ATOM 952 OD1 ASP A 94 2.980 12.257 -9.055 1.00 0.00 O ATOM 953 OD2 ASP A 94 1.324 13.695 -9.085 1.00 0.00 O ATOM 0 H ASP A 94 -0.731 11.068 -8.026 1.00 0.00 H new ATOM 0 HA ASP A 94 2.042 10.214 -7.802 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.515 12.688 -6.954 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.167 12.401 -6.447 1.00 0.00 H new ATOM 958 N VAL A 95 1.185 8.758 -5.817 1.00 0.00 N ATOM 959 CA VAL A 95 1.138 8.029 -4.555 1.00 0.00 C ATOM 960 C VAL A 95 2.522 7.481 -4.216 1.00 0.00 C ATOM 961 O VAL A 95 3.373 7.333 -5.102 1.00 0.00 O ATOM 962 CB VAL A 95 0.117 6.859 -4.623 1.00 0.00 C ATOM 963 CG1 VAL A 95 -1.275 7.378 -4.973 1.00 0.00 C ATOM 964 CG2 VAL A 95 0.567 5.796 -5.627 1.00 0.00 C ATOM 0 H VAL A 95 1.283 8.160 -6.637 1.00 0.00 H new ATOM 0 HA VAL A 95 0.819 8.722 -3.777 1.00 0.00 H new ATOM 0 HB VAL A 95 0.071 6.394 -3.638 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.975 6.543 -5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.601 8.086 -4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.245 7.876 -5.942 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.165 4.989 -5.655 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.652 6.244 -6.617 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.535 5.397 -5.325 1.00 0.00 H new ATOM 974 N GLN A 96 2.750 7.167 -2.947 1.00 0.00 N ATOM 975 CA GLN A 96 4.011 6.562 -2.534 1.00 0.00 C ATOM 976 C GLN A 96 3.790 5.068 -2.371 1.00 0.00 C ATOM 977 O GLN A 96 2.774 4.646 -1.825 1.00 0.00 O ATOM 978 CB GLN A 96 4.534 7.190 -1.228 1.00 0.00 C ATOM 979 CG GLN A 96 5.928 6.710 -0.805 1.00 0.00 C ATOM 980 CD GLN A 96 7.040 7.142 -1.759 1.00 0.00 C ATOM 981 OE1 GLN A 96 6.826 7.292 -2.961 1.00 0.00 O ATOM 982 NE2 GLN A 96 8.243 7.351 -1.231 1.00 0.00 N ATOM 0 H GLN A 96 2.084 7.320 -2.190 1.00 0.00 H new ATOM 0 HA GLN A 96 4.770 6.744 -3.295 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.557 8.274 -1.344 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.829 6.970 -0.426 1.00 0.00 H new ATOM 0 HG2 GLN A 96 6.147 7.092 0.192 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.923 5.622 -0.735 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.391 7.219 -0.230 1.00 0.00 H new ATOM 0 HE22 GLN A 96 9.018 7.644 -1.827 1.00 0.00 H new ATOM 991 N ARG A 97 4.731 4.274 -2.855 1.00 0.00 N ATOM 992 CA ARG A 97 4.531 2.834 -2.967 1.00 0.00 C ATOM 993 C ARG A 97 5.794 2.077 -2.599 1.00 0.00 C ATOM 994 O ARG A 97 6.894 2.448 -3.019 1.00 0.00 O ATOM 995 CB ARG A 97 4.101 2.458 -4.399 1.00 0.00 C ATOM 996 CG ARG A 97 5.113 2.822 -5.496 1.00 0.00 C ATOM 997 CD ARG A 97 5.270 4.333 -5.662 1.00 0.00 C ATOM 998 NE ARG A 97 6.130 4.690 -6.794 1.00 0.00 N ATOM 999 CZ ARG A 97 6.165 5.906 -7.346 1.00 0.00 C ATOM 1000 NH1 ARG A 97 5.406 6.882 -6.867 1.00 0.00 N ATOM 1001 NH2 ARG A 97 6.961 6.143 -8.379 1.00 0.00 N ATOM 0 H ARG A 97 5.642 4.600 -3.177 1.00 0.00 H new ATOM 0 HA ARG A 97 3.741 2.554 -2.270 1.00 0.00 H new ATOM 0 HB2 ARG A 97 3.917 1.384 -4.437 1.00 0.00 H new ATOM 0 HB3 ARG A 97 3.155 2.952 -4.620 1.00 0.00 H new ATOM 0 HG2 ARG A 97 6.081 2.383 -5.255 1.00 0.00 H new ATOM 0 HG3 ARG A 97 4.792 2.386 -6.442 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.287 4.783 -5.801 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.687 4.754 -4.747 1.00 0.00 H new ATOM 0 HE ARG A 97 6.737 3.968 -7.183 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.791 6.707 -6.073 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.437 7.808 -7.293 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.547 5.397 -8.753 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.987 7.072 -8.800 1.00 0.00 H new ATOM 1015 N PHE A 98 5.630 1.021 -1.810 1.00 0.00 N ATOM 1016 CA PHE A 98 6.737 0.135 -1.464 1.00 0.00 C ATOM 1017 C PHE A 98 6.325 -1.316 -1.702 1.00 0.00 C ATOM 1018 O PHE A 98 5.227 -1.740 -1.308 1.00 0.00 O ATOM 1019 CB PHE A 98 7.188 0.337 -0.004 1.00 0.00 C ATOM 1020 CG PHE A 98 7.636 1.749 0.316 1.00 0.00 C ATOM 1021 CD1 PHE A 98 8.573 2.399 -0.479 1.00 0.00 C ATOM 1022 CD2 PHE A 98 7.110 2.429 1.407 1.00 0.00 C ATOM 1023 CE1 PHE A 98 8.974 3.691 -0.189 1.00 0.00 C ATOM 1024 CE2 PHE A 98 7.511 3.721 1.699 1.00 0.00 C ATOM 1025 CZ PHE A 98 8.441 4.352 0.900 1.00 0.00 C ATOM 0 H PHE A 98 4.736 0.756 -1.396 1.00 0.00 H new ATOM 0 HA PHE A 98 7.585 0.380 -2.103 1.00 0.00 H new ATOM 0 HB2 PHE A 98 6.366 0.069 0.659 1.00 0.00 H new ATOM 0 HB3 PHE A 98 8.007 -0.350 0.210 1.00 0.00 H new ATOM 0 HD1 PHE A 98 8.993 1.889 -1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.378 1.943 2.036 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.704 4.183 -0.815 1.00 0.00 H new ATOM 0 HE2 PHE A 98 7.095 4.235 2.553 1.00 0.00 H new ATOM 0 HZ PHE A 98 8.752 5.361 1.126 1.00 0.00 H new ATOM 1035 N ILE A 99 7.197 -2.058 -2.374 1.00 0.00 N ATOM 1036 CA ILE A 99 6.961 -3.465 -2.665 1.00 0.00 C ATOM 1037 C ILE A 99 7.910 -4.336 -1.834 1.00 0.00 C ATOM 1038 O ILE A 99 9.039 -4.631 -2.236 1.00 0.00 O ATOM 1039 CB ILE A 99 7.111 -3.760 -4.188 1.00 0.00 C ATOM 1040 CG1 ILE A 99 7.004 -5.270 -4.473 1.00 0.00 C ATOM 1041 CG2 ILE A 99 8.418 -3.185 -4.741 1.00 0.00 C ATOM 1042 CD1 ILE A 99 7.125 -5.625 -5.942 1.00 0.00 C ATOM 0 H ILE A 99 8.084 -1.702 -2.731 1.00 0.00 H new ATOM 0 HA ILE A 99 5.935 -3.709 -2.390 1.00 0.00 H new ATOM 0 HB ILE A 99 6.289 -3.263 -4.703 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.783 -5.791 -3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.047 -5.634 -4.098 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.492 -3.408 -5.805 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.431 -2.105 -4.595 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.263 -3.632 -4.217 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.040 -6.705 -6.064 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.330 -5.133 -6.502 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.093 -5.293 -6.318 1.00 0.00 H new ATOM 1054 N VAL A 100 7.451 -4.699 -0.646 1.00 0.00 N ATOM 1055 CA VAL A 100 8.207 -5.547 0.266 1.00 0.00 C ATOM 1056 C VAL A 100 7.260 -6.560 0.895 1.00 0.00 C ATOM 1057 O VAL A 100 6.180 -6.195 1.358 1.00 0.00 O ATOM 1058 CB VAL A 100 8.922 -4.714 1.366 1.00 0.00 C ATOM 1059 CG1 VAL A 100 7.924 -3.861 2.157 1.00 0.00 C ATOM 1060 CG2 VAL A 100 9.729 -5.620 2.297 1.00 0.00 C ATOM 0 H VAL A 100 6.541 -4.413 -0.285 1.00 0.00 H new ATOM 0 HA VAL A 100 8.983 -6.063 -0.298 1.00 0.00 H new ATOM 0 HB VAL A 100 9.615 -4.034 0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.456 -3.291 2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.415 -3.175 1.480 1.00 0.00 H new ATOM 0 HG13 VAL A 100 7.191 -4.510 2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 100 10.220 -5.014 3.058 1.00 0.00 H new ATOM 0 HG22 VAL A 100 9.061 -6.335 2.777 1.00 0.00 H new ATOM 0 HG23 VAL A 100 10.481 -6.157 1.720 1.00 0.00 H new ATOM 1070 N GLY A 101 7.657 -7.826 0.890 1.00 0.00 N ATOM 1071 CA GLY A 101 6.762 -8.884 1.319 1.00 0.00 C ATOM 1072 C GLY A 101 5.715 -9.167 0.261 1.00 0.00 C ATOM 1073 O GLY A 101 4.716 -8.457 0.169 1.00 0.00 O ATOM 0 H GLY A 101 8.582 -8.139 0.597 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.334 -9.790 1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.275 -8.598 2.251 1.00 0.00 H new ATOM 1077 N SER A 102 5.950 -10.203 -0.539 1.00 0.00 N ATOM 1078 CA SER A 102 5.100 -10.534 -1.687 1.00 0.00 C ATOM 1079 C SER A 102 3.614 -10.566 -1.320 1.00 0.00 C ATOM 1080 O SER A 102 2.752 -10.350 -2.176 1.00 0.00 O ATOM 1081 CB SER A 102 5.532 -11.883 -2.256 1.00 0.00 C ATOM 1082 OG SER A 102 6.929 -11.898 -2.488 1.00 0.00 O ATOM 0 H SER A 102 6.736 -10.840 -0.412 1.00 0.00 H new ATOM 0 HA SER A 102 5.224 -9.752 -2.436 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.264 -12.680 -1.562 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.000 -12.079 -3.187 1.00 0.00 H new ATOM 0 HG SER A 102 7.300 -12.756 -2.194 1.00 0.00 H new ATOM 1088 N ASP A 103 3.334 -10.870 -0.057 1.00 0.00 N ATOM 1089 CA ASP A 103 1.972 -10.845 0.474 1.00 0.00 C ATOM 1090 C ASP A 103 1.241 -9.562 0.084 1.00 0.00 C ATOM 1091 O ASP A 103 0.116 -9.610 -0.419 1.00 0.00 O ATOM 1092 CB ASP A 103 2.006 -10.983 2.001 1.00 0.00 C ATOM 1093 CG ASP A 103 0.619 -11.014 2.636 1.00 0.00 C ATOM 1094 OD1 ASP A 103 -0.192 -11.883 2.254 1.00 0.00 O ATOM 1095 OD2 ASP A 103 0.344 -10.183 3.530 1.00 0.00 O ATOM 0 H ASP A 103 4.041 -11.140 0.627 1.00 0.00 H new ATOM 0 HA ASP A 103 1.428 -11.685 0.042 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.539 -11.897 2.264 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.572 -10.152 2.421 1.00 0.00 H new ATOM 1100 N ARG A 104 1.905 -8.421 0.266 1.00 0.00 N ATOM 1101 CA ARG A 104 1.256 -7.124 0.084 1.00 0.00 C ATOM 1102 C ARG A 104 2.123 -6.138 -0.693 1.00 0.00 C ATOM 1103 O ARG A 104 3.352 -6.154 -0.608 1.00 0.00 O ATOM 1104 CB ARG A 104 0.895 -6.502 1.442 1.00 0.00 C ATOM 1105 CG ARG A 104 -0.044 -7.355 2.281 1.00 0.00 C ATOM 1106 CD ARG A 104 -0.401 -6.682 3.600 1.00 0.00 C ATOM 1107 NE ARG A 104 -1.178 -7.569 4.467 1.00 0.00 N ATOM 1108 CZ ARG A 104 -2.384 -7.279 4.959 1.00 0.00 C ATOM 1109 NH1 ARG A 104 -3.005 -6.161 4.595 1.00 0.00 N ATOM 1110 NH2 ARG A 104 -2.971 -8.121 5.800 1.00 0.00 N ATOM 0 H ARG A 104 2.887 -8.369 0.538 1.00 0.00 H new ATOM 0 HA ARG A 104 0.353 -7.314 -0.496 1.00 0.00 H new ATOM 0 HB2 ARG A 104 1.812 -6.327 2.005 1.00 0.00 H new ATOM 0 HB3 ARG A 104 0.433 -5.529 1.274 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -0.955 -7.553 1.717 1.00 0.00 H new ATOM 0 HG3 ARG A 104 0.423 -8.319 2.481 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.512 -6.380 4.113 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.971 -5.774 3.403 1.00 0.00 H new ATOM 0 HE ARG A 104 -0.770 -8.471 4.712 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -2.560 -5.521 3.937 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -3.927 -5.943 4.974 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -2.500 -8.985 6.068 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -3.893 -7.904 6.179 1.00 0.00 H new ATOM 1124 N ALA A 105 1.452 -5.289 -1.459 1.00 0.00 N ATOM 1125 CA ALA A 105 2.060 -4.102 -2.045 1.00 0.00 C ATOM 1126 C ALA A 105 1.427 -2.886 -1.376 1.00 0.00 C ATOM 1127 O ALA A 105 0.198 -2.751 -1.379 1.00 0.00 O ATOM 1128 CB ALA A 105 1.837 -4.076 -3.555 1.00 0.00 C ATOM 0 H ALA A 105 0.466 -5.405 -1.693 1.00 0.00 H new ATOM 0 HA ALA A 105 3.138 -4.101 -1.882 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.298 -3.182 -3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.286 -4.962 -4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.767 -4.065 -3.765 1.00 0.00 H new ATOM 1134 N ILE A 106 2.235 -2.024 -0.758 1.00 0.00 N ATOM 1135 CA ILE A 106 1.675 -0.922 0.025 1.00 0.00 C ATOM 1136 C ILE A 106 1.657 0.387 -0.770 1.00 0.00 C ATOM 1137 O ILE A 106 2.649 0.757 -1.417 1.00 0.00 O ATOM 1138 CB ILE A 106 2.427 -0.725 1.366 1.00 0.00 C ATOM 1139 CG1 ILE A 106 1.687 0.296 2.245 1.00 0.00 C ATOM 1140 CG2 ILE A 106 3.874 -0.298 1.136 1.00 0.00 C ATOM 1141 CD1 ILE A 106 2.367 0.564 3.567 1.00 0.00 C ATOM 0 H ILE A 106 3.254 -2.064 -0.782 1.00 0.00 H new ATOM 0 HA ILE A 106 0.645 -1.197 0.252 1.00 0.00 H new ATOM 0 HB ILE A 106 2.449 -1.683 1.886 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.594 1.234 1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.676 -0.065 2.433 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.372 -0.169 2.097 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.392 -1.064 0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.893 0.644 0.588 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.788 1.294 4.133 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.436 -0.364 4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.368 0.955 3.388 1.00 0.00 H new ATOM 1153 N PHE A 107 0.510 1.075 -0.713 1.00 0.00 N ATOM 1154 CA PHE A 107 0.312 2.349 -1.402 1.00 0.00 C ATOM 1155 C PHE A 107 -0.180 3.396 -0.406 1.00 0.00 C ATOM 1156 O PHE A 107 -1.311 3.317 0.077 1.00 0.00 O ATOM 1157 CB PHE A 107 -0.717 2.215 -2.543 1.00 0.00 C ATOM 1158 CG PHE A 107 -0.352 1.212 -3.612 1.00 0.00 C ATOM 1159 CD1 PHE A 107 0.806 1.366 -4.360 1.00 0.00 C ATOM 1160 CD2 PHE A 107 -1.165 0.115 -3.865 1.00 0.00 C ATOM 1161 CE1 PHE A 107 1.146 0.448 -5.338 1.00 0.00 C ATOM 1162 CE2 PHE A 107 -0.828 -0.805 -4.839 1.00 0.00 C ATOM 1163 CZ PHE A 107 0.328 -0.638 -5.575 1.00 0.00 C ATOM 0 H PHE A 107 -0.305 0.761 -0.187 1.00 0.00 H new ATOM 0 HA PHE A 107 1.267 2.654 -1.831 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.679 1.934 -2.114 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.849 3.191 -3.010 1.00 0.00 H new ATOM 0 HD1 PHE A 107 1.450 2.213 -4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.071 -0.021 -3.294 1.00 0.00 H new ATOM 0 HE1 PHE A 107 2.049 0.581 -5.915 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.469 -1.654 -5.025 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.592 -1.357 -6.336 1.00 0.00 H new ATOM 1173 N MET A 108 0.670 4.360 -0.085 1.00 0.00 N ATOM 1174 CA MET A 108 0.309 5.434 0.835 1.00 0.00 C ATOM 1175 C MET A 108 -0.137 6.668 0.055 1.00 0.00 C ATOM 1176 O MET A 108 0.600 7.176 -0.802 1.00 0.00 O ATOM 1177 CB MET A 108 1.490 5.787 1.748 1.00 0.00 C ATOM 1178 CG MET A 108 1.942 4.643 2.648 1.00 0.00 C ATOM 1179 SD MET A 108 2.614 3.247 1.726 1.00 0.00 S ATOM 1180 CE MET A 108 4.068 3.983 0.994 1.00 0.00 C ATOM 0 H MET A 108 1.621 4.422 -0.449 1.00 0.00 H new ATOM 0 HA MET A 108 -0.517 5.089 1.457 1.00 0.00 H new ATOM 0 HB2 MET A 108 2.331 6.104 1.131 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.213 6.638 2.371 1.00 0.00 H new ATOM 0 HG2 MET A 108 2.698 5.011 3.342 1.00 0.00 H new ATOM 0 HG3 MET A 108 1.097 4.303 3.247 1.00 0.00 H new ATOM 0 HE1 MET A 108 4.570 3.248 0.364 1.00 0.00 H new ATOM 0 HE2 MET A 108 3.776 4.841 0.389 1.00 0.00 H new ATOM 0 HE3 MET A 108 4.747 4.309 1.782 1.00 0.00 H new ATOM 1190 N LEU A 109 -1.345 7.142 0.359 1.00 0.00 N ATOM 1191 CA LEU A 109 -1.906 8.318 -0.291 1.00 0.00 C ATOM 1192 C LEU A 109 -1.998 9.454 0.720 1.00 0.00 C ATOM 1193 O LEU A 109 -2.884 9.465 1.576 1.00 0.00 O ATOM 1194 CB LEU A 109 -3.309 8.027 -0.868 1.00 0.00 C ATOM 1195 CG LEU A 109 -3.379 7.021 -2.036 1.00 0.00 C ATOM 1196 CD1 LEU A 109 -3.059 5.599 -1.580 1.00 0.00 C ATOM 1197 CD2 LEU A 109 -4.753 7.074 -2.704 1.00 0.00 C ATOM 0 H LEU A 109 -1.956 6.722 1.059 1.00 0.00 H new ATOM 0 HA LEU A 109 -1.252 8.599 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.940 7.656 -0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.742 8.969 -1.203 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.621 7.309 -2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.119 4.922 -2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.053 5.569 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.777 5.291 -0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.786 6.359 -3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -5.522 6.824 -1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.932 8.078 -3.090 1.00 0.00 H new ATOM 1209 N ARG A 110 -1.073 10.400 0.633 1.00 0.00 N ATOM 1210 CA ARG A 110 -1.100 11.574 1.501 1.00 0.00 C ATOM 1211 C ARG A 110 -2.211 12.504 1.015 1.00 0.00 C ATOM 1212 O ARG A 110 -2.863 13.193 1.802 1.00 0.00 O ATOM 1213 CB ARG A 110 0.266 12.291 1.476 1.00 0.00 C ATOM 1214 CG ARG A 110 0.790 12.731 2.847 1.00 0.00 C ATOM 1215 CD ARG A 110 -0.184 13.640 3.594 1.00 0.00 C ATOM 1216 NE ARG A 110 -0.639 14.762 2.769 1.00 0.00 N ATOM 1217 CZ ARG A 110 -1.214 15.869 3.239 1.00 0.00 C ATOM 1218 NH1 ARG A 110 -1.393 16.041 4.544 1.00 0.00 N ATOM 1219 NH2 ARG A 110 -1.625 16.798 2.387 1.00 0.00 N ATOM 0 H ARG A 110 -0.296 10.380 -0.027 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.296 11.275 2.531 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.000 11.627 1.019 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.187 13.169 0.835 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.992 11.848 3.453 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.738 13.252 2.717 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.046 13.057 3.918 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.298 14.024 4.493 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.506 14.691 1.760 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.089 15.321 5.200 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -1.834 16.893 4.890 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.500 16.661 1.384 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.066 17.649 2.735 1.00 0.00 H new ATOM 1233 N ASP A 111 -2.413 12.490 -0.301 1.00 0.00 N ATOM 1234 CA ASP A 111 -3.432 13.300 -0.960 1.00 0.00 C ATOM 1235 C ASP A 111 -4.064 12.489 -2.091 1.00 0.00 C ATOM 1236 O ASP A 111 -3.349 11.952 -2.939 1.00 0.00 O ATOM 1237 CB ASP A 111 -2.813 14.587 -1.537 1.00 0.00 C ATOM 1238 CG ASP A 111 -2.241 15.516 -0.473 1.00 0.00 C ATOM 1239 OD1 ASP A 111 -1.095 15.291 -0.021 1.00 0.00 O ATOM 1240 OD2 ASP A 111 -2.928 16.490 -0.093 1.00 0.00 O ATOM 0 H ASP A 111 -1.870 11.912 -0.943 1.00 0.00 H new ATOM 0 HA ASP A 111 -4.191 13.576 -0.228 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -2.022 14.318 -2.237 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -3.573 15.123 -2.106 1.00 0.00 H new ATOM 1245 N GLY A 112 -5.391 12.384 -2.097 1.00 0.00 N ATOM 1246 CA GLY A 112 -6.068 11.647 -3.150 1.00 0.00 C ATOM 1247 C GLY A 112 -7.527 11.366 -2.839 1.00 0.00 C ATOM 1248 O GLY A 112 -7.843 10.681 -1.863 1.00 0.00 O ATOM 0 H GLY A 112 -6.007 12.794 -1.395 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.004 12.212 -4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -5.550 10.702 -3.315 1.00 0.00 H new ATOM 1252 N SER A 113 -8.419 11.894 -3.675 1.00 0.00 N ATOM 1253 CA SER A 113 -9.857 11.652 -3.549 1.00 0.00 C ATOM 1254 C SER A 113 -10.221 10.300 -4.173 1.00 0.00 C ATOM 1255 O SER A 113 -11.267 9.718 -3.880 1.00 0.00 O ATOM 1256 CB SER A 113 -10.633 12.785 -4.234 1.00 0.00 C ATOM 1257 OG SER A 113 -10.144 14.054 -3.823 1.00 0.00 O ATOM 0 H SER A 113 -8.168 12.500 -4.456 1.00 0.00 H new ATOM 0 HA SER A 113 -10.126 11.628 -2.493 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.544 12.690 -5.316 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.693 12.703 -3.993 1.00 0.00 H new ATOM 0 HG SER A 113 -10.651 14.761 -4.273 1.00 0.00 H new ATOM 1263 N TYR A 114 -9.324 9.805 -5.021 1.00 0.00 N ATOM 1264 CA TYR A 114 -9.546 8.566 -5.774 1.00 0.00 C ATOM 1265 C TYR A 114 -9.287 7.315 -4.919 1.00 0.00 C ATOM 1266 O TYR A 114 -8.870 6.281 -5.439 1.00 0.00 O ATOM 1267 CB TYR A 114 -8.679 8.549 -7.046 1.00 0.00 C ATOM 1268 CG TYR A 114 -7.200 8.846 -6.826 1.00 0.00 C ATOM 1269 CD1 TYR A 114 -6.346 7.893 -6.279 1.00 0.00 C ATOM 1270 CD2 TYR A 114 -6.658 10.076 -7.188 1.00 0.00 C ATOM 1271 CE1 TYR A 114 -5.001 8.159 -6.095 1.00 0.00 C ATOM 1272 CE2 TYR A 114 -5.314 10.345 -7.012 1.00 0.00 C ATOM 1273 CZ TYR A 114 -4.490 9.385 -6.465 1.00 0.00 C ATOM 1274 OH TYR A 114 -3.149 9.647 -6.296 1.00 0.00 O ATOM 0 H TYR A 114 -8.424 10.247 -5.208 1.00 0.00 H new ATOM 0 HA TYR A 114 -10.597 8.542 -6.063 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -8.771 7.570 -7.516 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -9.079 9.279 -7.749 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -6.740 6.929 -5.993 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -7.299 10.833 -7.614 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -4.354 7.410 -5.663 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -4.911 11.304 -7.302 1.00 0.00 H new ATOM 0 HH TYR A 114 -2.951 10.555 -6.608 1.00 0.00 H new ATOM 1284 N ALA A 115 -9.589 7.400 -3.623 1.00 0.00 N ATOM 1285 CA ALA A 115 -9.346 6.300 -2.687 1.00 0.00 C ATOM 1286 C ALA A 115 -10.147 5.048 -3.058 1.00 0.00 C ATOM 1287 O ALA A 115 -9.581 3.982 -3.319 1.00 0.00 O ATOM 1288 CB ALA A 115 -9.684 6.739 -1.265 1.00 0.00 C ATOM 0 H ALA A 115 -10.006 8.226 -3.194 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.288 6.043 -2.746 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.500 5.914 -0.576 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.060 7.589 -0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.734 7.028 -1.213 1.00 0.00 H new ATOM 1294 N TRP A 116 -11.468 5.177 -3.093 1.00 0.00 N ATOM 1295 CA TRP A 116 -12.336 4.035 -3.367 1.00 0.00 C ATOM 1296 C TRP A 116 -12.200 3.606 -4.827 1.00 0.00 C ATOM 1297 O TRP A 116 -12.399 2.434 -5.165 1.00 0.00 O ATOM 1298 CB TRP A 116 -13.799 4.372 -3.018 1.00 0.00 C ATOM 1299 CG TRP A 116 -14.420 3.404 -2.046 1.00 0.00 C ATOM 1300 CD1 TRP A 116 -15.591 2.719 -2.200 1.00 0.00 C ATOM 1301 CD2 TRP A 116 -13.887 3.004 -0.775 1.00 0.00 C ATOM 1302 NE1 TRP A 116 -15.824 1.931 -1.101 1.00 0.00 N ATOM 1303 CE2 TRP A 116 -14.791 2.085 -0.213 1.00 0.00 C ATOM 1304 CE3 TRP A 116 -12.733 3.338 -0.056 1.00 0.00 C ATOM 1305 CZ2 TRP A 116 -14.579 1.496 1.032 1.00 0.00 C ATOM 1306 CZ3 TRP A 116 -12.522 2.750 1.178 1.00 0.00 C ATOM 1307 CH2 TRP A 116 -13.441 1.839 1.711 1.00 0.00 C ATOM 0 H TRP A 116 -11.961 6.056 -2.936 1.00 0.00 H new ATOM 0 HA TRP A 116 -12.028 3.200 -2.738 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -13.842 5.376 -2.597 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -14.390 4.385 -3.934 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -16.239 2.787 -3.061 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -16.635 1.328 -0.966 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -12.020 4.043 -0.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -15.287 0.794 1.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -11.633 2.998 1.739 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -13.248 1.398 2.678 1.00 0.00 H new ATOM 1318 N GLU A 117 -11.839 4.561 -5.678 1.00 0.00 N ATOM 1319 CA GLU A 117 -11.610 4.290 -7.094 1.00 0.00 C ATOM 1320 C GLU A 117 -10.403 3.368 -7.271 1.00 0.00 C ATOM 1321 O GLU A 117 -10.496 2.325 -7.926 1.00 0.00 O ATOM 1322 CB GLU A 117 -11.393 5.598 -7.867 1.00 0.00 C ATOM 1323 CG GLU A 117 -12.528 6.605 -7.714 1.00 0.00 C ATOM 1324 CD GLU A 117 -13.887 6.026 -8.079 1.00 0.00 C ATOM 1325 OE1 GLU A 117 -14.099 5.707 -9.266 1.00 0.00 O ATOM 1326 OE2 GLU A 117 -14.749 5.899 -7.182 1.00 0.00 O ATOM 0 H GLU A 117 -11.698 5.535 -5.410 1.00 0.00 H new ATOM 0 HA GLU A 117 -12.494 3.793 -7.494 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.465 6.058 -7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.267 5.366 -8.925 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -12.555 6.961 -6.684 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.326 7.471 -8.345 1.00 0.00 H new ATOM 1333 N ILE A 118 -9.270 3.745 -6.671 1.00 0.00 N ATOM 1334 CA ILE A 118 -8.056 2.942 -6.774 1.00 0.00 C ATOM 1335 C ILE A 118 -8.287 1.573 -6.141 1.00 0.00 C ATOM 1336 O ILE A 118 -7.854 0.556 -6.684 1.00 0.00 O ATOM 1337 CB ILE A 118 -6.812 3.635 -6.138 1.00 0.00 C ATOM 1338 CG1 ILE A 118 -5.543 2.797 -6.380 1.00 0.00 C ATOM 1339 CG2 ILE A 118 -7.007 3.882 -4.644 1.00 0.00 C ATOM 1340 CD1 ILE A 118 -4.276 3.426 -5.831 1.00 0.00 C ATOM 0 H ILE A 118 -9.172 4.594 -6.114 1.00 0.00 H new ATOM 0 HA ILE A 118 -7.835 2.826 -7.835 1.00 0.00 H new ATOM 0 HB ILE A 118 -6.693 4.604 -6.623 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.676 1.815 -5.925 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -5.423 2.638 -7.452 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -6.120 4.366 -4.236 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -7.874 4.525 -4.492 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -7.167 2.931 -4.136 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -3.427 2.776 -6.041 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -4.117 4.395 -6.303 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -4.373 3.559 -4.754 1.00 0.00 H new ATOM 1352 N LYS A 119 -9.006 1.544 -5.014 1.00 0.00 N ATOM 1353 CA LYS A 119 -9.351 0.277 -4.372 1.00 0.00 C ATOM 1354 C LYS A 119 -10.134 -0.608 -5.342 1.00 0.00 C ATOM 1355 O LYS A 119 -9.880 -1.811 -5.448 1.00 0.00 O ATOM 1356 CB LYS A 119 -10.177 0.488 -3.093 1.00 0.00 C ATOM 1357 CG LYS A 119 -10.523 -0.829 -2.395 1.00 0.00 C ATOM 1358 CD LYS A 119 -11.485 -0.652 -1.222 1.00 0.00 C ATOM 1359 CE LYS A 119 -11.898 -2.007 -0.652 1.00 0.00 C ATOM 1360 NZ LYS A 119 -12.939 -1.896 0.403 1.00 0.00 N ATOM 0 H LYS A 119 -9.355 2.374 -4.534 1.00 0.00 H new ATOM 0 HA LYS A 119 -8.417 -0.211 -4.095 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -9.620 1.124 -2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -11.097 1.016 -3.342 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -10.966 -1.512 -3.120 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -9.605 -1.295 -2.037 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -11.011 -0.054 -0.444 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -12.369 -0.105 -1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -12.271 -2.637 -1.459 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -11.021 -2.505 -0.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -13.181 -2.845 0.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -12.577 -1.319 1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -13.789 -1.447 0.006 1.00 0.00 H new ATOM 1374 N ASP A 120 -11.079 -0.001 -6.057 1.00 0.00 N ATOM 1375 CA ASP A 120 -11.894 -0.729 -7.026 1.00 0.00 C ATOM 1376 C ASP A 120 -11.015 -1.272 -8.152 1.00 0.00 C ATOM 1377 O ASP A 120 -11.206 -2.402 -8.630 1.00 0.00 O ATOM 1378 CB ASP A 120 -12.996 0.173 -7.593 1.00 0.00 C ATOM 1379 CG ASP A 120 -13.983 -0.594 -8.461 1.00 0.00 C ATOM 1380 OD1 ASP A 120 -14.825 -1.328 -7.900 1.00 0.00 O ATOM 1381 OD2 ASP A 120 -13.927 -0.473 -9.702 1.00 0.00 O ATOM 0 H ASP A 120 -11.299 0.992 -5.983 1.00 0.00 H new ATOM 0 HA ASP A 120 -12.369 -1.568 -6.518 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -13.532 0.648 -6.771 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -12.542 0.971 -8.181 1.00 0.00 H new ATOM 1386 N PHE A 121 -10.018 -0.482 -8.541 1.00 0.00 N ATOM 1387 CA PHE A 121 -9.080 -0.892 -9.576 1.00 0.00 C ATOM 1388 C PHE A 121 -8.249 -2.075 -9.083 1.00 0.00 C ATOM 1389 O PHE A 121 -7.873 -2.952 -9.859 1.00 0.00 O ATOM 1390 CB PHE A 121 -8.171 0.286 -9.963 1.00 0.00 C ATOM 1391 CG PHE A 121 -7.038 -0.092 -10.886 1.00 0.00 C ATOM 1392 CD1 PHE A 121 -7.279 -0.380 -12.222 1.00 0.00 C ATOM 1393 CD2 PHE A 121 -5.734 -0.163 -10.413 1.00 0.00 C ATOM 1394 CE1 PHE A 121 -6.243 -0.732 -13.066 1.00 0.00 C ATOM 1395 CE2 PHE A 121 -4.696 -0.512 -11.254 1.00 0.00 C ATOM 1396 CZ PHE A 121 -4.951 -0.798 -12.582 1.00 0.00 C ATOM 0 H PHE A 121 -9.841 0.445 -8.154 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.636 -1.201 -10.461 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.775 1.056 -10.442 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.756 0.725 -9.056 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.287 -0.328 -12.606 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -5.530 0.057 -9.376 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.443 -0.955 -14.103 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -3.686 -0.561 -10.875 1.00 0.00 H new ATOM 0 HZ PHE A 121 -4.141 -1.073 -13.241 1.00 0.00 H new ATOM 1406 N LEU A 122 -7.978 -2.092 -7.781 1.00 0.00 N ATOM 1407 CA LEU A 122 -7.240 -3.190 -7.161 1.00 0.00 C ATOM 1408 C LEU A 122 -8.081 -4.466 -7.167 1.00 0.00 C ATOM 1409 O LEU A 122 -7.606 -5.530 -7.563 1.00 0.00 O ATOM 1410 CB LEU A 122 -6.839 -2.824 -5.723 1.00 0.00 C ATOM 1411 CG LEU A 122 -5.966 -1.565 -5.584 1.00 0.00 C ATOM 1412 CD1 LEU A 122 -5.722 -1.236 -4.115 1.00 0.00 C ATOM 1413 CD2 LEU A 122 -4.643 -1.734 -6.328 1.00 0.00 C ATOM 0 H LEU A 122 -8.259 -1.356 -7.133 1.00 0.00 H new ATOM 0 HA LEU A 122 -6.333 -3.366 -7.740 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -7.746 -2.684 -5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -6.304 -3.667 -5.287 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.503 -0.730 -6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -5.103 -0.342 -4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -6.676 -1.059 -3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.213 -2.072 -3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -4.044 -0.831 -6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.100 -2.584 -5.915 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.840 -1.908 -7.386 1.00 0.00 H new ATOM 1425 N VAL A 123 -9.344 -4.349 -6.746 1.00 0.00 N ATOM 1426 CA VAL A 123 -10.242 -5.508 -6.678 1.00 0.00 C ATOM 1427 C VAL A 123 -10.691 -5.943 -8.075 1.00 0.00 C ATOM 1428 O VAL A 123 -11.322 -6.992 -8.237 1.00 0.00 O ATOM 1429 CB VAL A 123 -11.483 -5.245 -5.783 1.00 0.00 C ATOM 1430 CG1 VAL A 123 -11.055 -4.816 -4.381 1.00 0.00 C ATOM 1431 CG2 VAL A 123 -12.413 -4.212 -6.412 1.00 0.00 C ATOM 0 H VAL A 123 -9.767 -3.470 -6.449 1.00 0.00 H new ATOM 0 HA VAL A 123 -9.668 -6.314 -6.221 1.00 0.00 H new ATOM 0 HB VAL A 123 -12.039 -6.179 -5.699 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -11.939 -4.637 -3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -10.454 -5.604 -3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -10.466 -3.901 -4.444 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -13.272 -4.051 -5.760 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -11.877 -3.272 -6.544 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -12.756 -4.574 -7.381 1.00 0.00 H new ATOM 1441 N SER A 124 -10.365 -5.129 -9.082 1.00 0.00 N ATOM 1442 CA SER A 124 -10.572 -5.498 -10.487 1.00 0.00 C ATOM 1443 C SER A 124 -9.689 -6.693 -10.906 1.00 0.00 C ATOM 1444 O SER A 124 -9.760 -7.155 -12.050 1.00 0.00 O ATOM 1445 CB SER A 124 -10.295 -4.290 -11.394 1.00 0.00 C ATOM 1446 OG SER A 124 -10.582 -4.578 -12.756 1.00 0.00 O ATOM 0 H SER A 124 -9.954 -4.205 -8.950 1.00 0.00 H new ATOM 0 HA SER A 124 -11.612 -5.805 -10.598 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.898 -3.443 -11.066 1.00 0.00 H new ATOM 0 HB3 SER A 124 -9.250 -3.994 -11.297 1.00 0.00 H new ATOM 0 HG SER A 124 -10.487 -5.541 -12.914 1.00 0.00 H new ATOM 1452 N GLN A 125 -8.884 -7.212 -9.976 1.00 0.00 N ATOM 1453 CA GLN A 125 -7.974 -8.322 -10.265 1.00 0.00 C ATOM 1454 C GLN A 125 -8.569 -9.624 -9.734 1.00 0.00 C ATOM 1455 O GLN A 125 -8.293 -10.037 -8.608 1.00 0.00 O ATOM 1456 CB GLN A 125 -6.572 -8.076 -9.673 1.00 0.00 C ATOM 1457 CG GLN A 125 -5.653 -7.244 -10.565 1.00 0.00 C ATOM 1458 CD GLN A 125 -6.239 -5.893 -10.932 1.00 0.00 C ATOM 1459 OE1 GLN A 125 -6.915 -5.750 -11.949 1.00 0.00 O ATOM 1460 NE2 GLN A 125 -5.977 -4.895 -10.110 1.00 0.00 N ATOM 0 H GLN A 125 -8.844 -6.879 -9.013 1.00 0.00 H new ATOM 0 HA GLN A 125 -7.856 -8.398 -11.346 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.679 -7.574 -8.712 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.098 -9.038 -9.479 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -4.701 -7.094 -10.055 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -5.441 -7.801 -11.478 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -5.412 -5.056 -9.276 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -6.340 -3.962 -10.308 1.00 0.00 H new ATOM 1469 N ASP A 126 -9.408 -10.245 -10.556 1.00 0.00 N ATOM 1470 CA ASP A 126 -10.143 -11.458 -10.185 1.00 0.00 C ATOM 1471 C ASP A 126 -9.218 -12.583 -9.719 1.00 0.00 C ATOM 1472 O ASP A 126 -9.622 -13.426 -8.914 1.00 0.00 O ATOM 1473 CB ASP A 126 -10.987 -11.935 -11.374 1.00 0.00 C ATOM 1474 CG ASP A 126 -10.139 -12.300 -12.583 1.00 0.00 C ATOM 1475 OD1 ASP A 126 -9.528 -11.388 -13.182 1.00 0.00 O ATOM 1476 OD2 ASP A 126 -10.080 -13.495 -12.943 1.00 0.00 O ATOM 0 H ASP A 126 -9.601 -9.923 -11.504 1.00 0.00 H new ATOM 0 HA ASP A 126 -10.789 -11.203 -9.345 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -11.576 -12.801 -11.073 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -11.692 -11.152 -11.652 1.00 0.00 H new ATOM 1481 N ARG A 127 -7.986 -12.609 -10.226 1.00 0.00 N ATOM 1482 CA ARG A 127 -7.026 -13.647 -9.846 1.00 0.00 C ATOM 1483 C ARG A 127 -6.721 -13.596 -8.348 1.00 0.00 C ATOM 1484 O ARG A 127 -6.746 -14.622 -7.665 1.00 0.00 O ATOM 1485 CB ARG A 127 -5.725 -13.499 -10.647 1.00 0.00 C ATOM 1486 CG ARG A 127 -5.849 -13.910 -12.109 1.00 0.00 C ATOM 1487 CD ARG A 127 -4.547 -13.692 -12.872 1.00 0.00 C ATOM 1488 NE ARG A 127 -4.568 -14.338 -14.188 1.00 0.00 N ATOM 1489 CZ ARG A 127 -4.771 -13.701 -15.343 1.00 0.00 C ATOM 1490 NH1 ARG A 127 -5.037 -12.400 -15.362 1.00 0.00 N ATOM 1491 NH2 ARG A 127 -4.721 -14.376 -16.481 1.00 0.00 N ATOM 0 H ARG A 127 -7.630 -11.928 -10.897 1.00 0.00 H new ATOM 0 HA ARG A 127 -7.477 -14.613 -10.074 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -5.396 -12.461 -10.598 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -4.949 -14.102 -10.175 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -6.133 -14.961 -12.168 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -6.647 -13.337 -12.581 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -4.374 -12.623 -12.995 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -3.714 -14.085 -12.288 1.00 0.00 H new ATOM 0 HE ARG A 127 -4.417 -15.346 -14.223 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -5.088 -11.877 -14.488 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -5.190 -11.924 -16.251 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -4.528 -15.378 -16.472 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -4.875 -13.894 -17.367 1.00 0.00 H new ATOM 1505 N CYS A 128 -6.472 -12.390 -7.849 1.00 0.00 N ATOM 1506 CA CYS A 128 -6.112 -12.162 -6.447 1.00 0.00 C ATOM 1507 C CYS A 128 -6.186 -10.667 -6.153 1.00 0.00 C ATOM 1508 O CYS A 128 -5.528 -9.872 -6.828 1.00 0.00 O ATOM 1509 CB CYS A 128 -4.692 -12.676 -6.144 1.00 0.00 C ATOM 1510 SG CYS A 128 -4.484 -14.471 -6.271 1.00 0.00 S ATOM 0 H CYS A 128 -6.513 -11.536 -8.406 1.00 0.00 H new ATOM 0 HA CYS A 128 -6.812 -12.709 -5.815 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -3.994 -12.195 -6.829 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -4.416 -12.364 -5.137 1.00 0.00 H new ATOM 0 HG CYS A 128 -5.508 -14.984 -6.887 1.00 0.00 H new ATOM 1516 N ALA A 129 -6.982 -10.280 -5.160 1.00 0.00 N ATOM 1517 CA ALA A 129 -7.164 -8.870 -4.839 1.00 0.00 C ATOM 1518 C ALA A 129 -7.790 -8.686 -3.459 1.00 0.00 C ATOM 1519 O ALA A 129 -9.015 -8.729 -3.304 1.00 0.00 O ATOM 1520 CB ALA A 129 -8.018 -8.193 -5.905 1.00 0.00 C ATOM 0 H ALA A 129 -7.509 -10.921 -4.567 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.180 -8.401 -4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -8.147 -7.140 -5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -7.525 -8.277 -6.874 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -8.994 -8.677 -5.951 1.00 0.00 H new ATOM 1526 N GLU A 130 -6.939 -8.512 -2.455 1.00 0.00 N ATOM 1527 CA GLU A 130 -7.379 -8.167 -1.109 1.00 0.00 C ATOM 1528 C GLU A 130 -6.624 -6.928 -0.644 1.00 0.00 C ATOM 1529 O GLU A 130 -5.488 -6.701 -1.056 1.00 0.00 O ATOM 1530 CB GLU A 130 -7.144 -9.335 -0.140 1.00 0.00 C ATOM 1531 CG GLU A 130 -7.907 -10.605 -0.506 1.00 0.00 C ATOM 1532 CD GLU A 130 -7.827 -11.666 0.580 1.00 0.00 C ATOM 1533 OE1 GLU A 130 -8.471 -11.486 1.637 1.00 0.00 O ATOM 1534 OE2 GLU A 130 -7.116 -12.675 0.391 1.00 0.00 O ATOM 0 H GLU A 130 -5.928 -8.606 -2.550 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.449 -7.960 -1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.078 -9.560 -0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -7.434 -9.025 0.864 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -8.952 -10.357 -0.690 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -7.507 -11.010 -1.435 1.00 0.00 H new ATOM 1541 N VAL A 131 -7.245 -6.121 0.205 1.00 0.00 N ATOM 1542 CA VAL A 131 -6.636 -4.875 0.648 1.00 0.00 C ATOM 1543 C VAL A 131 -7.190 -4.436 1.999 1.00 0.00 C ATOM 1544 O VAL A 131 -8.378 -4.609 2.282 1.00 0.00 O ATOM 1545 CB VAL A 131 -6.848 -3.745 -0.399 1.00 0.00 C ATOM 1546 CG1 VAL A 131 -8.336 -3.517 -0.667 1.00 0.00 C ATOM 1547 CG2 VAL A 131 -6.166 -2.450 0.042 1.00 0.00 C ATOM 0 H VAL A 131 -8.167 -6.306 0.600 1.00 0.00 H new ATOM 0 HA VAL A 131 -5.567 -5.060 0.755 1.00 0.00 H new ATOM 0 HB VAL A 131 -6.384 -4.065 -1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -8.456 -2.722 -1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -8.782 -4.435 -1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -8.833 -3.231 0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -6.331 -1.678 -0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -6.584 -2.125 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -5.096 -2.623 0.156 1.00 0.00 H new ATOM 1557 N THR A 132 -6.317 -3.885 2.835 1.00 0.00 N ATOM 1558 CA THR A 132 -6.703 -3.313 4.117 1.00 0.00 C ATOM 1559 C THR A 132 -6.171 -1.888 4.192 1.00 0.00 C ATOM 1560 O THR A 132 -5.041 -1.632 3.774 1.00 0.00 O ATOM 1561 CB THR A 132 -6.137 -4.148 5.292 1.00 0.00 C ATOM 1562 OG1 THR A 132 -4.715 -4.292 5.151 1.00 0.00 O ATOM 1563 CG2 THR A 132 -6.784 -5.528 5.350 1.00 0.00 C ATOM 0 H THR A 132 -5.318 -3.823 2.640 1.00 0.00 H new ATOM 0 HA THR A 132 -7.790 -3.317 4.197 1.00 0.00 H new ATOM 0 HB THR A 132 -6.364 -3.621 6.219 1.00 0.00 H new ATOM 0 HG1 THR A 132 -4.304 -4.366 6.038 1.00 0.00 H new ATOM 0 HG21 THR A 132 -6.366 -6.091 6.185 1.00 0.00 H new ATOM 0 HG22 THR A 132 -7.860 -5.420 5.487 1.00 0.00 H new ATOM 0 HG23 THR A 132 -6.589 -6.061 4.419 1.00 0.00 H new ATOM 1571 N LEU A 133 -6.973 -0.963 4.704 1.00 0.00 N ATOM 1572 CA LEU A 133 -6.592 0.448 4.733 1.00 0.00 C ATOM 1573 C LEU A 133 -6.022 0.822 6.100 1.00 0.00 C ATOM 1574 O LEU A 133 -6.046 0.008 7.027 1.00 0.00 O ATOM 1575 CB LEU A 133 -7.793 1.345 4.374 1.00 0.00 C ATOM 1576 CG LEU A 133 -8.310 1.213 2.924 1.00 0.00 C ATOM 1577 CD1 LEU A 133 -8.990 -0.134 2.688 1.00 0.00 C ATOM 1578 CD2 LEU A 133 -9.255 2.358 2.573 1.00 0.00 C ATOM 0 H LEU A 133 -7.890 -1.161 5.105 1.00 0.00 H new ATOM 0 HA LEU A 133 -5.816 0.609 3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -8.612 1.116 5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -7.514 2.384 4.549 1.00 0.00 H new ATOM 0 HG LEU A 133 -7.443 1.268 2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -9.340 -0.189 1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -8.278 -0.938 2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -9.838 -0.237 3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -9.604 2.240 1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -10.109 2.346 3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -8.728 3.307 2.670 1.00 0.00 H new ATOM 1590 N GLU A 134 -5.489 2.039 6.208 1.00 0.00 N ATOM 1591 CA GLU A 134 -4.866 2.517 7.448 1.00 0.00 C ATOM 1592 C GLU A 134 -5.827 2.441 8.645 1.00 0.00 C ATOM 1593 O GLU A 134 -6.541 3.400 8.942 1.00 0.00 O ATOM 1594 CB GLU A 134 -4.353 3.961 7.289 1.00 0.00 C ATOM 1595 CG GLU A 134 -3.585 4.474 8.510 1.00 0.00 C ATOM 1596 CD GLU A 134 -3.227 5.956 8.431 1.00 0.00 C ATOM 1597 OE1 GLU A 134 -2.621 6.380 7.425 1.00 0.00 O ATOM 1598 OE2 GLU A 134 -3.531 6.701 9.384 1.00 0.00 O ATOM 0 H GLU A 134 -5.475 2.718 5.447 1.00 0.00 H new ATOM 0 HA GLU A 134 -4.023 1.856 7.647 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.705 4.014 6.414 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -5.200 4.620 7.099 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -4.184 4.301 9.404 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -2.669 3.893 8.623 1.00 0.00 H new ATOM 1605 N GLY A 135 -5.856 1.277 9.293 1.00 0.00 N ATOM 1606 CA GLY A 135 -6.538 1.122 10.570 1.00 0.00 C ATOM 1607 C GLY A 135 -8.040 1.355 10.523 1.00 0.00 C ATOM 1608 O GLY A 135 -8.825 0.402 10.498 1.00 0.00 O ATOM 0 H GLY A 135 -5.412 0.426 8.949 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -6.352 0.116 10.945 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -6.099 1.816 11.287 1.00 0.00 H new ATOM 1612 N GLN A 136 -8.434 2.625 10.516 1.00 0.00 N ATOM 1613 CA GLN A 136 -9.831 3.019 10.676 1.00 0.00 C ATOM 1614 C GLN A 136 -10.694 2.556 9.502 1.00 0.00 C ATOM 1615 O GLN A 136 -10.422 2.885 8.345 1.00 0.00 O ATOM 1616 CB GLN A 136 -9.930 4.545 10.829 1.00 0.00 C ATOM 1617 CG GLN A 136 -9.039 5.121 11.929 1.00 0.00 C ATOM 1618 CD GLN A 136 -9.330 4.540 13.304 1.00 0.00 C ATOM 1619 OE1 GLN A 136 -8.731 3.542 13.713 1.00 0.00 O ATOM 1620 NE2 GLN A 136 -10.250 5.157 14.029 1.00 0.00 N ATOM 0 H GLN A 136 -7.794 3.411 10.399 1.00 0.00 H new ATOM 0 HA GLN A 136 -10.210 2.533 11.575 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -9.666 5.012 9.880 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -10.966 4.812 11.038 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -7.995 4.934 11.677 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -9.170 6.203 11.964 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -10.725 5.980 13.658 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -10.484 4.809 14.959 1.00 0.00 H new ATOM 1629 N MET A 137 -11.736 1.791 9.811 1.00 0.00 N ATOM 1630 CA MET A 137 -12.718 1.376 8.814 1.00 0.00 C ATOM 1631 C MET A 137 -13.715 2.508 8.570 1.00 0.00 C ATOM 1632 O MET A 137 -14.580 2.779 9.403 1.00 0.00 O ATOM 1633 CB MET A 137 -13.450 0.103 9.269 1.00 0.00 C ATOM 1634 CG MET A 137 -12.570 -1.148 9.331 1.00 0.00 C ATOM 1635 SD MET A 137 -12.368 -1.977 7.729 1.00 0.00 S ATOM 1636 CE MET A 137 -11.288 -0.854 6.834 1.00 0.00 C ATOM 0 H MET A 137 -11.923 1.443 10.751 1.00 0.00 H new ATOM 0 HA MET A 137 -12.199 1.152 7.882 1.00 0.00 H new ATOM 0 HB2 MET A 137 -13.879 0.279 10.255 1.00 0.00 H new ATOM 0 HB3 MET A 137 -14.281 -0.086 8.589 1.00 0.00 H new ATOM 0 HG2 MET A 137 -11.587 -0.872 9.714 1.00 0.00 H new ATOM 0 HG3 MET A 137 -13.003 -1.851 10.042 1.00 0.00 H new ATOM 0 HE1 MET A 137 -10.593 -1.428 6.221 1.00 0.00 H new ATOM 0 HE2 MET A 137 -11.887 -0.206 6.194 1.00 0.00 H new ATOM 0 HE3 MET A 137 -10.728 -0.245 7.544 1.00 0.00 H new ATOM 1646 N TYR A 138 -13.564 3.171 7.429 1.00 0.00 N ATOM 1647 CA TYR A 138 -14.374 4.343 7.090 1.00 0.00 C ATOM 1648 C TYR A 138 -15.851 3.966 6.872 1.00 0.00 C ATOM 1649 O TYR A 138 -16.736 4.561 7.492 1.00 0.00 O ATOM 1650 CB TYR A 138 -13.813 5.045 5.837 1.00 0.00 C ATOM 1651 CG TYR A 138 -12.294 5.137 5.802 1.00 0.00 C ATOM 1652 CD1 TYR A 138 -11.535 4.078 5.317 1.00 0.00 C ATOM 1653 CD2 TYR A 138 -11.622 6.273 6.244 1.00 0.00 C ATOM 1654 CE1 TYR A 138 -10.160 4.145 5.272 1.00 0.00 C ATOM 1655 CE2 TYR A 138 -10.239 6.348 6.197 1.00 0.00 C ATOM 1656 CZ TYR A 138 -9.515 5.277 5.710 1.00 0.00 C ATOM 1657 OH TYR A 138 -8.143 5.341 5.647 1.00 0.00 O ATOM 0 H TYR A 138 -12.882 2.916 6.715 1.00 0.00 H new ATOM 0 HA TYR A 138 -14.325 5.032 7.934 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -14.154 4.510 4.951 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -14.228 6.051 5.781 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -12.033 3.185 4.969 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -12.187 7.109 6.629 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.590 3.310 4.893 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -9.731 7.238 6.539 1.00 0.00 H new ATOM 0 HH TYR A 138 -7.840 6.206 5.993 1.00 0.00 H new ATOM 1667 N PRO A 139 -16.153 2.976 5.993 1.00 0.00 N ATOM 1668 CA PRO A 139 -17.542 2.606 5.688 1.00 0.00 C ATOM 1669 C PRO A 139 -18.232 1.894 6.856 1.00 0.00 C ATOM 1670 O PRO A 139 -17.966 0.717 7.128 1.00 0.00 O ATOM 1671 CB PRO A 139 -17.408 1.674 4.475 1.00 0.00 C ATOM 1672 CG PRO A 139 -16.047 1.080 4.604 1.00 0.00 C ATOM 1673 CD PRO A 139 -15.187 2.145 5.238 1.00 0.00 C ATOM 0 HA PRO A 139 -18.163 3.481 5.496 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -18.179 0.903 4.481 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -17.513 2.224 3.540 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -16.071 0.180 5.219 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -15.654 0.790 3.630 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -14.433 1.712 5.895 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -14.657 2.731 4.487 1.00 0.00 H new ATOM 1681 N GLY A 140 -19.095 2.628 7.555 1.00 0.00 N ATOM 1682 CA GLY A 140 -19.881 2.058 8.636 1.00 0.00 C ATOM 1683 C GLY A 140 -19.026 1.568 9.790 1.00 0.00 C ATOM 1684 O GLY A 140 -18.376 2.369 10.469 1.00 0.00 O ATOM 0 H GLY A 140 -19.265 3.620 7.388 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -20.583 2.807 9.002 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -20.473 1.228 8.250 1.00 0.00 H new ATOM 1688 N LYS A 141 -19.032 0.259 10.014 1.00 0.00 N ATOM 1689 CA LYS A 141 -18.255 -0.358 11.088 1.00 0.00 C ATOM 1690 C LYS A 141 -18.237 -1.875 10.930 1.00 0.00 C ATOM 1691 O LYS A 141 -19.247 -2.487 10.562 1.00 0.00 O ATOM 1692 CB LYS A 141 -18.829 0.019 12.463 1.00 0.00 C ATOM 1693 CG LYS A 141 -18.111 -0.646 13.636 1.00 0.00 C ATOM 1694 CD LYS A 141 -18.743 -0.274 14.974 1.00 0.00 C ATOM 1695 CE LYS A 141 -18.104 -1.036 16.131 1.00 0.00 C ATOM 1696 NZ LYS A 141 -18.766 -0.735 17.427 1.00 0.00 N ATOM 0 H LYS A 141 -19.573 -0.405 9.460 1.00 0.00 H new ATOM 0 HA LYS A 141 -17.233 0.016 11.023 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -18.776 1.101 12.584 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -19.884 -0.254 12.493 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -18.136 -1.728 13.511 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -17.062 -0.350 13.635 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -18.637 0.798 15.141 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -19.811 -0.487 14.944 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -18.160 -2.107 15.935 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -17.047 -0.778 16.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -18.302 -1.273 18.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -18.691 0.283 17.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -19.769 -1.004 17.375 1.00 0.00 H new TER 1710 LYS A 141