USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 705 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 58 THR OG1 : rot 172:sc= 1.07 USER MOD Set 1.2: B 145 SER OG : rot 180:sc= 1.13 USER MOD Set 2.1: A 61 GLN : amide:sc= 1.2 K(o=1.6,f=-1.5) USER MOD Set 2.2: A 68 HIS : no HD1:sc= 0.413 K(o=1.6,f=-7.1!) USER MOD Set 3.1: A 44 THR OG1 : rot -82:sc= 2.1 USER MOD Set 3.2: B 149 LYS NZ :NH3+ 153:sc= 1.6 (180deg=0.619) USER MOD Set 4.1: A 9 SER OG : rot 155:sc= 1.25 USER MOD Set 4.2: A 35 TYR OH : rot 168:sc= 1.32 USER MOD Set 5.1: A 1 MET N :NH3+ -146:sc= 1.37 (180deg=0.815) USER MOD Set 5.2: A 32 GLN : amide:sc= 0.25 K(o=1.6,f=0.19) USER MOD Single : A 1 MET CE :methyl -170:sc=-0.00853 (180deg=-0.17) USER MOD Single : A 2 GLN : amide:sc= -0.155 X(o=-0.16,f=0) USER MOD Single : A 3 THR OG1 : rot 143:sc= 1.71 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -156:sc= 1.17 USER MOD Single : A 18 LYS NZ :NH3+ -166:sc= 2.41 (180deg=2.22) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 49:sc= 0.856 USER MOD Single : A 26 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.0041) USER MOD Single : A 33 TYR OH : rot 139:sc= 1.28 USER MOD Single : A 34 GLN : amide:sc=-0.00215 X(o=-0.0021,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 168:sc= -0.0851 (180deg=-0.266) USER MOD Single : A 49 GLN : amide:sc= 0.161 X(o=0.16,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 147:sc= 0.604 (180deg=-0.497!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 67 GLN : amide:sc= 0.525 K(o=0.52,f=0) USER MOD Single : A 72 TYR OH : rot 30:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -130:sc= 1.31 (180deg=0.596) USER MOD Single : A 82 ASN : amide:sc= 0.709 K(o=0.71,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.244 -16.457 -0.816 1.00 1.00 N ATOM 2 CA MET A 1 14.191 -15.470 -1.177 1.00 1.00 C ATOM 3 C MET A 1 14.611 -14.100 -0.641 1.00 1.00 C ATOM 4 O MET A 1 14.763 -14.003 0.572 1.00 1.00 O ATOM 5 CB MET A 1 12.811 -15.857 -0.586 1.00 1.00 C ATOM 6 CG MET A 1 12.220 -17.160 -1.140 1.00 1.00 C ATOM 7 SD MET A 1 11.963 -17.199 -2.933 1.00 1.00 S ATOM 8 CE MET A 1 10.739 -15.873 -3.123 1.00 1.00 C ATOM 0 H1 MET A 1 15.324 -17.170 -1.568 1.00 1.00 H new ATOM 0 H2 MET A 1 16.155 -15.968 -0.705 1.00 1.00 H new ATOM 0 H3 MET A 1 14.990 -16.924 0.078 1.00 1.00 H new ATOM 0 HA MET A 1 14.088 -15.450 -2.262 1.00 1.00 H new ATOM 0 HB2 MET A 1 12.907 -15.948 0.496 1.00 1.00 H new ATOM 0 HB3 MET A 1 12.109 -15.045 -0.776 1.00 1.00 H new ATOM 0 HG2 MET A 1 12.881 -17.983 -0.867 1.00 1.00 H new ATOM 0 HG3 MET A 1 11.264 -17.342 -0.649 1.00 1.00 H new ATOM 0 HE1 MET A 1 10.343 -15.886 -4.139 1.00 1.00 H new ATOM 0 HE2 MET A 1 9.925 -16.025 -2.414 1.00 1.00 H new ATOM 0 HE3 MET A 1 11.213 -14.910 -2.930 1.00 1.00 H new ATOM 20 N GLN A 2 14.784 -13.049 -1.465 1.00 1.00 N ATOM 21 CA GLN A 2 15.389 -11.753 -1.035 1.00 1.00 C ATOM 22 C GLN A 2 14.510 -10.482 -1.131 1.00 1.00 C ATOM 23 O GLN A 2 14.139 -10.058 -2.223 1.00 1.00 O ATOM 24 CB GLN A 2 16.767 -11.528 -1.717 1.00 1.00 C ATOM 25 CG GLN A 2 17.902 -11.386 -0.677 1.00 1.00 C ATOM 26 CD GLN A 2 19.122 -10.556 -1.095 1.00 1.00 C ATOM 27 OE1 GLN A 2 20.261 -10.860 -0.779 1.00 1.00 O ATOM 28 NE2 GLN A 2 18.972 -9.426 -1.753 1.00 1.00 N ATOM 0 H GLN A 2 14.512 -13.064 -2.448 1.00 1.00 H new ATOM 0 HA GLN A 2 15.506 -11.887 0.040 1.00 1.00 H new ATOM 0 HB2 GLN A 2 16.985 -12.364 -2.382 1.00 1.00 H new ATOM 0 HB3 GLN A 2 16.725 -10.631 -2.335 1.00 1.00 H new ATOM 0 HG2 GLN A 2 17.482 -10.942 0.226 1.00 1.00 H new ATOM 0 HG3 GLN A 2 18.246 -12.385 -0.411 1.00 1.00 H new ATOM 0 HE21 GLN A 2 18.042 -9.124 -2.042 1.00 1.00 H new ATOM 0 HE22 GLN A 2 19.786 -8.853 -1.974 1.00 1.00 H new ATOM 37 N THR A 3 14.242 -9.819 0.004 1.00 1.00 N ATOM 38 CA THR A 3 13.347 -8.631 0.139 1.00 1.00 C ATOM 39 C THR A 3 14.079 -7.381 0.672 1.00 1.00 C ATOM 40 O THR A 3 14.629 -7.391 1.776 1.00 1.00 O ATOM 41 CB THR A 3 12.123 -8.932 1.027 1.00 1.00 C ATOM 42 OG1 THR A 3 11.396 -10.009 0.475 1.00 1.00 O ATOM 43 CG2 THR A 3 11.116 -7.782 1.146 1.00 1.00 C ATOM 0 H THR A 3 14.653 -10.097 0.895 1.00 1.00 H new ATOM 0 HA THR A 3 13.006 -8.411 -0.873 1.00 1.00 H new ATOM 0 HB THR A 3 12.542 -9.134 2.013 1.00 1.00 H new ATOM 0 HG1 THR A 3 11.040 -10.568 1.197 1.00 1.00 H new ATOM 0 HG21 THR A 3 10.290 -8.086 1.789 1.00 1.00 H new ATOM 0 HG22 THR A 3 11.609 -6.910 1.576 1.00 1.00 H new ATOM 0 HG23 THR A 3 10.732 -7.531 0.157 1.00 1.00 H new ATOM 51 N VAL A 4 14.071 -6.286 -0.103 1.00 1.00 N ATOM 52 CA VAL A 4 14.804 -5.009 0.119 1.00 1.00 C ATOM 53 C VAL A 4 13.831 -3.846 0.396 1.00 1.00 C ATOM 54 O VAL A 4 12.945 -3.576 -0.415 1.00 1.00 O ATOM 55 CB VAL A 4 15.734 -4.657 -1.075 1.00 1.00 C ATOM 56 CG1 VAL A 4 16.637 -3.447 -0.754 1.00 1.00 C ATOM 57 CG2 VAL A 4 16.633 -5.828 -1.528 1.00 1.00 C ATOM 0 H VAL A 4 13.519 -6.257 -0.960 1.00 1.00 H new ATOM 0 HA VAL A 4 15.430 -5.156 0.999 1.00 1.00 H new ATOM 0 HB VAL A 4 15.054 -4.417 -1.892 1.00 1.00 H new ATOM 0 HG11 VAL A 4 17.273 -3.230 -1.612 1.00 1.00 H new ATOM 0 HG12 VAL A 4 16.017 -2.578 -0.534 1.00 1.00 H new ATOM 0 HG13 VAL A 4 17.260 -3.677 0.111 1.00 1.00 H new ATOM 0 HG21 VAL A 4 17.254 -5.508 -2.365 1.00 1.00 H new ATOM 0 HG22 VAL A 4 17.271 -6.138 -0.701 1.00 1.00 H new ATOM 0 HG23 VAL A 4 16.009 -6.666 -1.839 1.00 1.00 H new ATOM 67 N ILE A 5 13.986 -3.137 1.526 1.00 1.00 N ATOM 68 CA ILE A 5 13.071 -2.064 2.011 1.00 1.00 C ATOM 69 C ILE A 5 13.731 -0.668 1.999 1.00 1.00 C ATOM 70 O ILE A 5 14.721 -0.450 2.706 1.00 1.00 O ATOM 71 CB ILE A 5 12.489 -2.366 3.424 1.00 1.00 C ATOM 72 CG1 ILE A 5 11.862 -3.786 3.557 1.00 1.00 C ATOM 73 CG2 ILE A 5 11.465 -1.272 3.818 1.00 1.00 C ATOM 74 CD1 ILE A 5 12.775 -4.751 4.325 1.00 1.00 C ATOM 0 H ILE A 5 14.774 -3.292 2.155 1.00 1.00 H new ATOM 0 HA ILE A 5 12.245 -2.052 1.300 1.00 1.00 H new ATOM 0 HB ILE A 5 13.331 -2.352 4.116 1.00 1.00 H new ATOM 0 HG12 ILE A 5 10.902 -3.711 4.068 1.00 1.00 H new ATOM 0 HG13 ILE A 5 11.664 -4.189 2.564 1.00 1.00 H new ATOM 0 HG21 ILE A 5 11.062 -1.490 4.807 1.00 1.00 H new ATOM 0 HG22 ILE A 5 11.958 -0.300 3.833 1.00 1.00 H new ATOM 0 HG23 ILE A 5 10.653 -1.255 3.091 1.00 1.00 H new ATOM 0 HD11 ILE A 5 12.297 -5.728 4.393 1.00 1.00 H new ATOM 0 HD12 ILE A 5 13.725 -4.848 3.800 1.00 1.00 H new ATOM 0 HD13 ILE A 5 12.952 -4.363 5.328 1.00 1.00 H new ATOM 86 N PHE A 6 13.129 0.275 1.259 1.00 1.00 N ATOM 87 CA PHE A 6 13.560 1.673 1.121 1.00 1.00 C ATOM 88 C PHE A 6 12.758 2.663 2.011 1.00 1.00 C ATOM 89 O PHE A 6 11.573 2.933 1.782 1.00 1.00 O ATOM 90 CB PHE A 6 13.542 2.083 -0.366 1.00 1.00 C ATOM 91 CG PHE A 6 14.559 1.353 -1.241 1.00 1.00 C ATOM 92 CD1 PHE A 6 14.233 0.115 -1.848 1.00 1.00 C ATOM 93 CD2 PHE A 6 15.848 1.906 -1.449 1.00 1.00 C ATOM 94 CE1 PHE A 6 15.178 -0.557 -2.653 1.00 1.00 C ATOM 95 CE2 PHE A 6 16.789 1.242 -2.267 1.00 1.00 C ATOM 96 CZ PHE A 6 16.453 0.009 -2.869 1.00 1.00 C ATOM 0 H PHE A 6 12.290 0.074 0.716 1.00 1.00 H new ATOM 0 HA PHE A 6 14.583 1.734 1.492 1.00 1.00 H new ATOM 0 HB2 PHE A 6 12.544 1.904 -0.766 1.00 1.00 H new ATOM 0 HB3 PHE A 6 13.726 3.155 -0.436 1.00 1.00 H new ATOM 0 HD1 PHE A 6 13.255 -0.317 -1.694 1.00 1.00 H new ATOM 0 HD2 PHE A 6 16.112 2.842 -0.979 1.00 1.00 H new ATOM 0 HE1 PHE A 6 14.925 -1.505 -3.104 1.00 1.00 H new ATOM 0 HE2 PHE A 6 17.764 1.676 -2.432 1.00 1.00 H new ATOM 0 HZ PHE A 6 17.171 -0.500 -3.494 1.00 1.00 H new ATOM 106 N GLY A 7 13.421 3.230 3.032 1.00 1.00 N ATOM 107 CA GLY A 7 12.957 4.353 3.874 1.00 1.00 C ATOM 108 C GLY A 7 12.021 4.073 5.064 1.00 1.00 C ATOM 109 O GLY A 7 10.974 4.712 5.148 1.00 1.00 O ATOM 0 H GLY A 7 14.346 2.902 3.310 1.00 1.00 H new ATOM 0 HA2 GLY A 7 13.842 4.855 4.266 1.00 1.00 H new ATOM 0 HA3 GLY A 7 12.451 5.064 3.221 1.00 1.00 H new ATOM 113 N ARG A 8 12.384 3.178 6.003 1.00 1.00 N ATOM 114 CA ARG A 8 11.675 2.930 7.300 1.00 1.00 C ATOM 115 C ARG A 8 11.717 4.135 8.258 1.00 1.00 C ATOM 116 O ARG A 8 10.684 4.611 8.724 1.00 1.00 O ATOM 117 CB ARG A 8 12.244 1.679 8.039 1.00 1.00 C ATOM 118 CG ARG A 8 11.422 1.270 9.288 1.00 1.00 C ATOM 119 CD ARG A 8 12.201 0.950 10.575 1.00 1.00 C ATOM 120 NE ARG A 8 11.359 0.251 11.578 1.00 1.00 N ATOM 121 CZ ARG A 8 11.357 0.353 12.892 1.00 1.00 C ATOM 122 NH1 ARG A 8 12.153 1.101 13.575 1.00 1.00 N ATOM 123 NH2 ARG A 8 10.528 -0.309 13.603 1.00 1.00 N ATOM 0 H ARG A 8 13.204 2.582 5.888 1.00 1.00 H new ATOM 0 HA ARG A 8 10.635 2.754 7.023 1.00 1.00 H new ATOM 0 HB2 ARG A 8 12.275 0.840 7.344 1.00 1.00 H new ATOM 0 HB3 ARG A 8 13.272 1.882 8.341 1.00 1.00 H new ATOM 0 HG2 ARG A 8 10.722 2.076 9.509 1.00 1.00 H new ATOM 0 HG3 ARG A 8 10.827 0.394 9.028 1.00 1.00 H new ATOM 0 HD2 ARG A 8 13.064 0.330 10.331 1.00 1.00 H new ATOM 0 HD3 ARG A 8 12.585 1.875 11.006 1.00 1.00 H new ATOM 0 HE ARG A 8 10.681 -0.406 11.193 1.00 1.00 H new ATOM 0 HH11 ARG A 8 12.851 1.672 13.098 1.00 1.00 H new ATOM 0 HH12 ARG A 8 12.085 1.122 14.593 1.00 1.00 H new ATOM 0 HH21 ARG A 8 9.853 -0.929 13.155 1.00 1.00 H new ATOM 0 HH22 ARG A 8 10.541 -0.218 14.619 1.00 1.00 H new ATOM 137 N SER A 9 12.933 4.605 8.531 1.00 1.00 N ATOM 138 CA SER A 9 13.323 5.589 9.555 1.00 1.00 C ATOM 139 C SER A 9 12.688 6.981 9.349 1.00 1.00 C ATOM 140 O SER A 9 13.226 7.821 8.624 1.00 1.00 O ATOM 141 CB SER A 9 14.854 5.696 9.591 1.00 1.00 C ATOM 142 OG SER A 9 15.487 4.466 9.881 1.00 1.00 O ATOM 0 H SER A 9 13.743 4.284 8.000 1.00 1.00 H new ATOM 0 HA SER A 9 12.942 5.229 10.511 1.00 1.00 H new ATOM 0 HB2 SER A 9 15.210 6.063 8.628 1.00 1.00 H new ATOM 0 HB3 SER A 9 15.144 6.433 10.340 1.00 1.00 H new ATOM 0 HG SER A 9 16.398 4.473 9.519 1.00 1.00 H new ATOM 148 N GLY A 10 11.525 7.211 9.986 1.00 1.00 N ATOM 149 CA GLY A 10 10.830 8.514 10.067 1.00 1.00 C ATOM 150 C GLY A 10 9.361 8.598 9.611 1.00 1.00 C ATOM 151 O GLY A 10 8.796 9.691 9.682 1.00 1.00 O ATOM 0 H GLY A 10 11.024 6.470 10.476 1.00 1.00 H new ATOM 0 HA2 GLY A 10 10.874 8.848 11.104 1.00 1.00 H new ATOM 0 HA3 GLY A 10 11.401 9.231 9.476 1.00 1.00 H new ATOM 155 N CYS A 11 8.730 7.510 9.140 1.00 1.00 N ATOM 156 CA CYS A 11 7.293 7.442 8.813 1.00 1.00 C ATOM 157 C CYS A 11 6.633 6.089 9.206 1.00 1.00 C ATOM 158 O CYS A 11 6.983 5.053 8.630 1.00 1.00 O ATOM 159 CB CYS A 11 7.066 7.887 7.357 1.00 1.00 C ATOM 160 SG CYS A 11 8.125 7.108 6.094 1.00 1.00 S ATOM 0 H CYS A 11 9.216 6.629 8.971 1.00 1.00 H new ATOM 0 HA CYS A 11 6.757 8.154 9.441 1.00 1.00 H new ATOM 0 HB2 CYS A 11 6.026 7.690 7.098 1.00 1.00 H new ATOM 0 HB3 CYS A 11 7.209 8.966 7.304 1.00 1.00 H new ATOM 165 N PRO A 12 5.643 6.069 10.139 1.00 1.00 N ATOM 166 CA PRO A 12 5.092 4.840 10.747 1.00 1.00 C ATOM 167 C PRO A 12 4.426 3.851 9.768 1.00 1.00 C ATOM 168 O PRO A 12 4.442 2.645 10.012 1.00 1.00 O ATOM 169 CB PRO A 12 4.122 5.307 11.847 1.00 1.00 C ATOM 170 CG PRO A 12 3.704 6.702 11.388 1.00 1.00 C ATOM 171 CD PRO A 12 4.959 7.234 10.695 1.00 1.00 C ATOM 0 HA PRO A 12 5.917 4.248 11.144 1.00 1.00 H new ATOM 0 HB2 PRO A 12 3.264 4.640 11.935 1.00 1.00 H new ATOM 0 HB3 PRO A 12 4.606 5.334 12.823 1.00 1.00 H new ATOM 0 HG2 PRO A 12 2.854 6.664 10.707 1.00 1.00 H new ATOM 0 HG3 PRO A 12 3.411 7.331 12.228 1.00 1.00 H new ATOM 0 HD2 PRO A 12 4.699 7.944 9.910 1.00 1.00 H new ATOM 0 HD3 PRO A 12 5.600 7.761 11.402 1.00 1.00 H new ATOM 179 N TYR A 13 3.882 4.329 8.640 1.00 1.00 N ATOM 180 CA TYR A 13 3.314 3.472 7.575 1.00 1.00 C ATOM 181 C TYR A 13 4.428 2.660 6.840 1.00 1.00 C ATOM 182 O TYR A 13 4.277 1.460 6.595 1.00 1.00 O ATOM 183 CB TYR A 13 2.435 4.323 6.635 1.00 1.00 C ATOM 184 CG TYR A 13 1.215 5.070 7.199 1.00 1.00 C ATOM 185 CD1 TYR A 13 0.895 5.153 8.583 1.00 1.00 C ATOM 186 CD2 TYR A 13 0.347 5.691 6.272 1.00 1.00 C ATOM 187 CE1 TYR A 13 -0.258 5.858 9.014 1.00 1.00 C ATOM 188 CE2 TYR A 13 -0.794 6.399 6.695 1.00 1.00 C ATOM 189 CZ TYR A 13 -1.107 6.487 8.069 1.00 1.00 C ATOM 190 OH TYR A 13 -2.212 7.174 8.469 1.00 1.00 O ATOM 0 H TYR A 13 3.821 5.326 8.434 1.00 1.00 H new ATOM 0 HA TYR A 13 2.664 2.719 8.019 1.00 1.00 H new ATOM 0 HB2 TYR A 13 3.082 5.064 6.167 1.00 1.00 H new ATOM 0 HB3 TYR A 13 2.077 3.667 5.842 1.00 1.00 H new ATOM 0 HD1 TYR A 13 1.535 4.676 9.311 1.00 1.00 H new ATOM 0 HD2 TYR A 13 0.564 5.621 5.216 1.00 1.00 H new ATOM 0 HE1 TYR A 13 -0.490 5.916 10.067 1.00 1.00 H new ATOM 0 HE2 TYR A 13 -1.432 6.876 5.966 1.00 1.00 H new ATOM 0 HH TYR A 13 -2.672 7.538 7.684 1.00 1.00 H new ATOM 200 N SER A 14 5.599 3.283 6.607 1.00 1.00 N ATOM 201 CA SER A 14 6.858 2.661 6.128 1.00 1.00 C ATOM 202 C SER A 14 7.511 1.732 7.170 1.00 1.00 C ATOM 203 O SER A 14 8.010 0.660 6.829 1.00 1.00 O ATOM 204 CB SER A 14 7.884 3.744 5.772 1.00 1.00 C ATOM 205 OG SER A 14 8.841 3.231 4.868 1.00 1.00 O ATOM 0 H SER A 14 5.703 4.287 6.754 1.00 1.00 H new ATOM 0 HA SER A 14 6.581 2.067 5.257 1.00 1.00 H new ATOM 0 HB2 SER A 14 7.379 4.603 5.330 1.00 1.00 H new ATOM 0 HB3 SER A 14 8.380 4.097 6.676 1.00 1.00 H new ATOM 0 HG SER A 14 9.666 3.756 4.933 1.00 1.00 H new ATOM 211 N VAL A 15 7.471 2.117 8.463 1.00 1.00 N ATOM 212 CA VAL A 15 7.869 1.265 9.611 1.00 1.00 C ATOM 213 C VAL A 15 7.143 -0.076 9.594 1.00 1.00 C ATOM 214 O VAL A 15 7.807 -1.110 9.544 1.00 1.00 O ATOM 215 CB VAL A 15 7.668 1.967 10.978 1.00 1.00 C ATOM 216 CG1 VAL A 15 7.765 0.987 12.156 1.00 1.00 C ATOM 217 CG2 VAL A 15 8.662 3.119 11.191 1.00 1.00 C ATOM 0 H VAL A 15 7.156 3.045 8.747 1.00 1.00 H new ATOM 0 HA VAL A 15 8.937 1.084 9.492 1.00 1.00 H new ATOM 0 HB VAL A 15 6.659 2.377 10.949 1.00 1.00 H new ATOM 0 HG11 VAL A 15 7.617 1.527 13.091 1.00 1.00 H new ATOM 0 HG12 VAL A 15 6.998 0.219 12.055 1.00 1.00 H new ATOM 0 HG13 VAL A 15 8.749 0.518 12.159 1.00 1.00 H new ATOM 0 HG21 VAL A 15 8.482 3.580 12.162 1.00 1.00 H new ATOM 0 HG22 VAL A 15 9.680 2.732 11.156 1.00 1.00 H new ATOM 0 HG23 VAL A 15 8.530 3.864 10.406 1.00 1.00 H new ATOM 227 N ARG A 16 5.805 -0.059 9.535 1.00 1.00 N ATOM 228 CA ARG A 16 4.939 -1.255 9.458 1.00 1.00 C ATOM 229 C ARG A 16 5.286 -2.126 8.231 1.00 1.00 C ATOM 230 O ARG A 16 5.486 -3.325 8.390 1.00 1.00 O ATOM 231 CB ARG A 16 3.457 -0.823 9.604 1.00 1.00 C ATOM 232 CG ARG A 16 3.180 -0.252 11.025 1.00 1.00 C ATOM 233 CD ARG A 16 1.887 0.570 11.191 1.00 1.00 C ATOM 234 NE ARG A 16 0.710 -0.261 11.512 1.00 1.00 N ATOM 235 CZ ARG A 16 -0.513 0.111 11.818 1.00 1.00 C ATOM 236 NH1 ARG A 16 -0.887 1.334 11.988 1.00 1.00 N ATOM 237 NH2 ARG A 16 -1.403 -0.794 11.968 1.00 1.00 N ATOM 0 H ARG A 16 5.274 0.812 9.539 1.00 1.00 H new ATOM 0 HA ARG A 16 5.126 -1.930 10.293 1.00 1.00 H new ATOM 0 HB2 ARG A 16 3.218 -0.070 8.853 1.00 1.00 H new ATOM 0 HB3 ARG A 16 2.806 -1.677 9.418 1.00 1.00 H new ATOM 0 HG2 ARG A 16 3.149 -1.084 11.728 1.00 1.00 H new ATOM 0 HG3 ARG A 16 4.024 0.376 11.312 1.00 1.00 H new ATOM 0 HD2 ARG A 16 2.031 1.307 11.981 1.00 1.00 H new ATOM 0 HD3 ARG A 16 1.694 1.123 10.271 1.00 1.00 H new ATOM 0 HE ARG A 16 0.868 -1.268 11.494 1.00 1.00 H new ATOM 0 HH11 ARG A 16 -0.213 2.092 11.886 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -1.857 1.542 12.225 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -1.156 -1.777 11.850 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -2.360 -0.534 12.206 1.00 1.00 H new ATOM 251 N ALA A 17 5.539 -1.527 7.059 1.00 1.00 N ATOM 252 CA ALA A 17 6.063 -2.204 5.857 1.00 1.00 C ATOM 253 C ALA A 17 7.400 -2.984 6.064 1.00 1.00 C ATOM 254 O ALA A 17 7.467 -4.158 5.695 1.00 1.00 O ATOM 255 CB ALA A 17 6.177 -1.171 4.716 1.00 1.00 C ATOM 0 H ALA A 17 5.381 -0.530 6.913 1.00 1.00 H new ATOM 0 HA ALA A 17 5.348 -2.985 5.599 1.00 1.00 H new ATOM 0 HB1 ALA A 17 6.563 -1.659 3.821 1.00 1.00 H new ATOM 0 HB2 ALA A 17 5.193 -0.752 4.505 1.00 1.00 H new ATOM 0 HB3 ALA A 17 6.855 -0.372 5.015 1.00 1.00 H new ATOM 261 N LYS A 18 8.448 -2.369 6.654 1.00 1.00 N ATOM 262 CA LYS A 18 9.731 -3.035 7.033 1.00 1.00 C ATOM 263 C LYS A 18 9.558 -4.123 8.097 1.00 1.00 C ATOM 264 O LYS A 18 10.049 -5.238 7.942 1.00 1.00 O ATOM 265 CB LYS A 18 10.771 -2.015 7.545 1.00 1.00 C ATOM 266 CG LYS A 18 12.188 -2.622 7.764 1.00 1.00 C ATOM 267 CD LYS A 18 12.707 -2.537 9.222 1.00 1.00 C ATOM 268 CE LYS A 18 12.370 -3.776 10.074 1.00 1.00 C ATOM 269 NZ LYS A 18 12.346 -3.491 11.532 1.00 1.00 N ATOM 0 H LYS A 18 8.434 -1.376 6.888 1.00 1.00 H new ATOM 0 HA LYS A 18 10.085 -3.505 6.115 1.00 1.00 H new ATOM 0 HB2 LYS A 18 10.843 -1.194 6.832 1.00 1.00 H new ATOM 0 HB3 LYS A 18 10.418 -1.590 8.485 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.172 -3.668 7.458 1.00 1.00 H new ATOM 0 HG3 LYS A 18 12.894 -2.109 7.110 1.00 1.00 H new ATOM 0 HD2 LYS A 18 13.788 -2.402 9.206 1.00 1.00 H new ATOM 0 HD3 LYS A 18 12.282 -1.653 9.698 1.00 1.00 H new ATOM 0 HE2 LYS A 18 11.398 -4.166 9.770 1.00 1.00 H new ATOM 0 HE3 LYS A 18 13.103 -4.557 9.874 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 12.352 -4.386 12.061 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 13.184 -2.931 11.790 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 11.486 -2.956 11.767 1.00 1.00 H new ATOM 283 N ASP A 19 8.929 -3.761 9.211 1.00 1.00 N ATOM 284 CA ASP A 19 8.671 -4.595 10.389 1.00 1.00 C ATOM 285 C ASP A 19 7.970 -5.928 10.032 1.00 1.00 C ATOM 286 O ASP A 19 8.386 -6.985 10.505 1.00 1.00 O ATOM 287 CB ASP A 19 7.906 -3.725 11.405 1.00 1.00 C ATOM 288 CG ASP A 19 8.781 -2.642 12.084 1.00 1.00 C ATOM 289 OD1 ASP A 19 9.877 -2.264 11.595 1.00 1.00 O ATOM 290 OD2 ASP A 19 8.353 -2.100 13.124 1.00 1.00 O ATOM 0 H ASP A 19 8.561 -2.817 9.326 1.00 1.00 H new ATOM 0 HA ASP A 19 9.606 -4.924 10.842 1.00 1.00 H new ATOM 0 HB2 ASP A 19 7.072 -3.240 10.898 1.00 1.00 H new ATOM 0 HB3 ASP A 19 7.481 -4.370 12.174 1.00 1.00 H new ATOM 295 N LEU A 20 6.981 -5.892 9.126 1.00 1.00 N ATOM 296 CA LEU A 20 6.331 -7.053 8.488 1.00 1.00 C ATOM 297 C LEU A 20 7.323 -8.018 7.776 1.00 1.00 C ATOM 298 O LEU A 20 7.242 -9.232 7.977 1.00 1.00 O ATOM 299 CB LEU A 20 5.237 -6.538 7.511 1.00 1.00 C ATOM 300 CG LEU A 20 3.787 -6.457 8.053 1.00 1.00 C ATOM 301 CD1 LEU A 20 3.650 -5.869 9.463 1.00 1.00 C ATOM 302 CD2 LEU A 20 2.920 -5.650 7.074 1.00 1.00 C ATOM 0 H LEU A 20 6.591 -5.008 8.800 1.00 1.00 H new ATOM 0 HA LEU A 20 5.879 -7.654 9.277 1.00 1.00 H new ATOM 0 HB2 LEU A 20 5.527 -5.544 7.172 1.00 1.00 H new ATOM 0 HB3 LEU A 20 5.235 -7.186 6.634 1.00 1.00 H new ATOM 0 HG LEU A 20 3.447 -7.489 8.134 1.00 1.00 H new ATOM 0 HD11 LEU A 20 2.599 -5.855 9.751 1.00 1.00 H new ATOM 0 HD12 LEU A 20 4.211 -6.481 10.169 1.00 1.00 H new ATOM 0 HD13 LEU A 20 4.042 -4.852 9.473 1.00 1.00 H new ATOM 0 HD21 LEU A 20 1.900 -5.592 7.454 1.00 1.00 H new ATOM 0 HD22 LEU A 20 3.327 -4.644 6.972 1.00 1.00 H new ATOM 0 HD23 LEU A 20 2.917 -6.141 6.101 1.00 1.00 H new ATOM 314 N ALA A 21 8.249 -7.505 6.951 1.00 1.00 N ATOM 315 CA ALA A 21 9.343 -8.275 6.326 1.00 1.00 C ATOM 316 C ALA A 21 10.346 -8.889 7.344 1.00 1.00 C ATOM 317 O ALA A 21 10.694 -10.065 7.235 1.00 1.00 O ATOM 318 CB ALA A 21 10.031 -7.389 5.274 1.00 1.00 C ATOM 0 H ALA A 21 8.261 -6.519 6.692 1.00 1.00 H new ATOM 0 HA ALA A 21 8.907 -9.147 5.838 1.00 1.00 H new ATOM 0 HB1 ALA A 21 10.842 -7.945 4.804 1.00 1.00 H new ATOM 0 HB2 ALA A 21 9.306 -7.095 4.516 1.00 1.00 H new ATOM 0 HB3 ALA A 21 10.434 -6.498 5.756 1.00 1.00 H new ATOM 324 N GLU A 22 10.783 -8.130 8.360 1.00 1.00 N ATOM 325 CA GLU A 22 11.622 -8.607 9.489 1.00 1.00 C ATOM 326 C GLU A 22 10.962 -9.721 10.349 1.00 1.00 C ATOM 327 O GLU A 22 11.619 -10.705 10.701 1.00 1.00 O ATOM 328 CB GLU A 22 12.069 -7.409 10.337 1.00 1.00 C ATOM 329 CG GLU A 22 13.163 -7.774 11.356 1.00 1.00 C ATOM 330 CD GLU A 22 13.683 -6.508 12.049 1.00 1.00 C ATOM 331 OE1 GLU A 22 12.883 -5.830 12.722 1.00 1.00 O ATOM 332 OE2 GLU A 22 14.835 -6.078 11.790 1.00 1.00 O ATOM 0 H GLU A 22 10.560 -7.137 8.428 1.00 1.00 H new ATOM 0 HA GLU A 22 12.498 -9.090 9.055 1.00 1.00 H new ATOM 0 HB2 GLU A 22 12.439 -6.622 9.680 1.00 1.00 H new ATOM 0 HB3 GLU A 22 11.207 -7.003 10.866 1.00 1.00 H new ATOM 0 HG2 GLU A 22 12.764 -8.466 12.098 1.00 1.00 H new ATOM 0 HG3 GLU A 22 13.984 -8.285 10.853 1.00 1.00 H new ATOM 339 N LYS A 23 9.658 -9.588 10.647 1.00 1.00 N ATOM 340 CA LYS A 23 8.733 -10.580 11.258 1.00 1.00 C ATOM 341 C LYS A 23 8.772 -11.919 10.488 1.00 1.00 C ATOM 342 O LYS A 23 9.063 -12.954 11.083 1.00 1.00 O ATOM 343 CB LYS A 23 7.339 -9.892 11.344 1.00 1.00 C ATOM 344 CG LYS A 23 6.049 -10.719 11.557 1.00 1.00 C ATOM 345 CD LYS A 23 4.810 -9.795 11.404 1.00 1.00 C ATOM 346 CE LYS A 23 3.465 -10.516 11.570 1.00 1.00 C ATOM 347 NZ LYS A 23 2.321 -9.575 11.396 1.00 1.00 N ATOM 0 H LYS A 23 9.175 -8.711 10.453 1.00 1.00 H new ATOM 0 HA LYS A 23 9.027 -10.866 12.268 1.00 1.00 H new ATOM 0 HB2 LYS A 23 7.391 -9.168 12.157 1.00 1.00 H new ATOM 0 HB3 LYS A 23 7.206 -9.326 10.422 1.00 1.00 H new ATOM 0 HG2 LYS A 23 6.002 -11.532 10.832 1.00 1.00 H new ATOM 0 HG3 LYS A 23 6.056 -11.175 12.547 1.00 1.00 H new ATOM 0 HD2 LYS A 23 4.874 -8.995 12.141 1.00 1.00 H new ATOM 0 HD3 LYS A 23 4.839 -9.326 10.421 1.00 1.00 H new ATOM 0 HE2 LYS A 23 3.390 -11.322 10.840 1.00 1.00 H new ATOM 0 HE3 LYS A 23 3.415 -10.974 12.558 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 1.426 -10.091 11.514 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 2.381 -8.820 12.108 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 2.357 -9.157 10.444 1.00 1.00 H new ATOM 361 N LEU A 24 8.589 -11.881 9.163 1.00 1.00 N ATOM 362 CA LEU A 24 8.752 -13.009 8.219 1.00 1.00 C ATOM 363 C LEU A 24 10.196 -13.597 8.185 1.00 1.00 C ATOM 364 O LEU A 24 10.370 -14.804 8.346 1.00 1.00 O ATOM 365 CB LEU A 24 8.225 -12.557 6.825 1.00 1.00 C ATOM 366 CG LEU A 24 7.518 -13.654 5.991 1.00 1.00 C ATOM 367 CD1 LEU A 24 6.975 -13.078 4.676 1.00 1.00 C ATOM 368 CD2 LEU A 24 8.442 -14.825 5.657 1.00 1.00 C ATOM 0 H LEU A 24 8.309 -11.022 8.689 1.00 1.00 H new ATOM 0 HA LEU A 24 8.156 -13.852 8.567 1.00 1.00 H new ATOM 0 HB2 LEU A 24 7.529 -11.730 6.970 1.00 1.00 H new ATOM 0 HB3 LEU A 24 9.064 -12.170 6.247 1.00 1.00 H new ATOM 0 HG LEU A 24 6.700 -14.021 6.612 1.00 1.00 H new ATOM 0 HD11 LEU A 24 6.483 -13.868 4.108 1.00 1.00 H new ATOM 0 HD12 LEU A 24 6.257 -12.287 4.894 1.00 1.00 H new ATOM 0 HD13 LEU A 24 7.798 -12.669 4.090 1.00 1.00 H new ATOM 0 HD21 LEU A 24 7.895 -15.564 5.072 1.00 1.00 H new ATOM 0 HD22 LEU A 24 9.294 -14.464 5.081 1.00 1.00 H new ATOM 0 HD23 LEU A 24 8.797 -15.283 6.580 1.00 1.00 H new ATOM 380 N SER A 25 11.239 -12.758 8.064 1.00 1.00 N ATOM 381 CA SER A 25 12.677 -13.144 8.129 1.00 1.00 C ATOM 382 C SER A 25 13.092 -13.876 9.423 1.00 1.00 C ATOM 383 O SER A 25 13.954 -14.753 9.394 1.00 1.00 O ATOM 384 CB SER A 25 13.583 -11.918 7.915 1.00 1.00 C ATOM 385 OG SER A 25 14.900 -12.311 7.564 1.00 1.00 O ATOM 0 H SER A 25 11.110 -11.757 7.913 1.00 1.00 H new ATOM 0 HA SER A 25 12.810 -13.862 7.319 1.00 1.00 H new ATOM 0 HB2 SER A 25 13.167 -11.287 7.129 1.00 1.00 H new ATOM 0 HB3 SER A 25 13.609 -11.318 8.825 1.00 1.00 H new ATOM 0 HG SER A 25 14.863 -12.971 6.841 1.00 1.00 H new ATOM 391 N ASN A 26 12.517 -13.492 10.569 1.00 1.00 N ATOM 392 CA ASN A 26 12.592 -14.164 11.875 1.00 1.00 C ATOM 393 C ASN A 26 11.838 -15.518 11.946 1.00 1.00 C ATOM 394 O ASN A 26 12.323 -16.440 12.594 1.00 1.00 O ATOM 395 CB ASN A 26 12.113 -13.155 12.937 1.00 1.00 C ATOM 396 CG ASN A 26 12.472 -13.455 14.384 1.00 1.00 C ATOM 397 OD1 ASN A 26 12.735 -12.546 15.148 1.00 1.00 O ATOM 398 ND2 ASN A 26 12.465 -14.679 14.849 1.00 1.00 N ATOM 0 H ASN A 26 11.948 -12.646 10.613 1.00 1.00 H new ATOM 0 HA ASN A 26 13.626 -14.455 12.062 1.00 1.00 H new ATOM 0 HB2 ASN A 26 12.520 -12.176 12.683 1.00 1.00 H new ATOM 0 HB3 ASN A 26 11.028 -13.077 12.866 1.00 1.00 H new ATOM 0 HD21 ASN A 26 12.677 -14.853 15.832 1.00 1.00 H new ATOM 0 HD22 ASN A 26 12.248 -15.459 14.229 1.00 1.00 H new ATOM 405 N GLU A 27 10.628 -15.610 11.379 1.00 1.00 N ATOM 406 CA GLU A 27 9.755 -16.808 11.355 1.00 1.00 C ATOM 407 C GLU A 27 10.373 -18.007 10.578 1.00 1.00 C ATOM 408 O GLU A 27 10.048 -19.167 10.866 1.00 1.00 O ATOM 409 CB GLU A 27 8.389 -16.372 10.752 1.00 1.00 C ATOM 410 CG GLU A 27 7.377 -17.484 10.396 1.00 1.00 C ATOM 411 CD GLU A 27 6.095 -16.894 9.771 1.00 1.00 C ATOM 412 OE1 GLU A 27 5.350 -16.174 10.485 1.00 1.00 O ATOM 413 OE2 GLU A 27 5.847 -17.145 8.565 1.00 1.00 O ATOM 0 H GLU A 27 10.204 -14.816 10.899 1.00 1.00 H new ATOM 0 HA GLU A 27 9.629 -17.180 12.372 1.00 1.00 H new ATOM 0 HB2 GLU A 27 7.910 -15.696 11.460 1.00 1.00 H new ATOM 0 HB3 GLU A 27 8.589 -15.798 9.848 1.00 1.00 H new ATOM 0 HG2 GLU A 27 7.835 -18.186 9.699 1.00 1.00 H new ATOM 0 HG3 GLU A 27 7.121 -18.047 11.293 1.00 1.00 H new ATOM 420 N ARG A 28 11.269 -17.735 9.606 1.00 1.00 N ATOM 421 CA ARG A 28 11.815 -18.691 8.602 1.00 1.00 C ATOM 422 C ARG A 28 13.331 -18.610 8.318 1.00 1.00 C ATOM 423 O ARG A 28 14.007 -17.664 8.706 1.00 1.00 O ATOM 424 CB ARG A 28 11.023 -18.491 7.289 1.00 1.00 C ATOM 425 CG ARG A 28 9.493 -18.422 7.428 1.00 1.00 C ATOM 426 CD ARG A 28 8.770 -18.321 6.085 1.00 1.00 C ATOM 427 NE ARG A 28 7.348 -17.977 6.294 1.00 1.00 N ATOM 428 CZ ARG A 28 6.429 -17.726 5.401 1.00 1.00 C ATOM 429 NH1 ARG A 28 6.592 -17.896 4.137 1.00 1.00 N ATOM 430 NH2 ARG A 28 5.300 -17.253 5.782 1.00 1.00 N ATOM 0 H ARG A 28 11.655 -16.798 9.489 1.00 1.00 H new ATOM 0 HA ARG A 28 11.691 -19.684 9.035 1.00 1.00 H new ATOM 0 HB2 ARG A 28 11.367 -17.571 6.817 1.00 1.00 H new ATOM 0 HB3 ARG A 28 11.270 -19.308 6.611 1.00 1.00 H new ATOM 0 HG2 ARG A 28 9.142 -19.309 7.956 1.00 1.00 H new ATOM 0 HG3 ARG A 28 9.229 -17.560 8.041 1.00 1.00 H new ATOM 0 HD2 ARG A 28 9.247 -17.563 5.463 1.00 1.00 H new ATOM 0 HD3 ARG A 28 8.848 -19.268 5.550 1.00 1.00 H new ATOM 0 HE ARG A 28 7.044 -17.929 7.266 1.00 1.00 H new ATOM 0 HH11 ARG A 28 7.481 -18.246 3.780 1.00 1.00 H new ATOM 0 HH12 ARG A 28 5.832 -17.680 3.491 1.00 1.00 H new ATOM 0 HH21 ARG A 28 5.129 -17.077 6.772 1.00 1.00 H new ATOM 0 HH22 ARG A 28 4.573 -17.052 5.095 1.00 1.00 H new ATOM 444 N ASP A 29 13.849 -19.579 7.552 1.00 1.00 N ATOM 445 CA ASP A 29 15.229 -19.647 6.992 1.00 1.00 C ATOM 446 C ASP A 29 15.329 -19.511 5.441 1.00 1.00 C ATOM 447 O ASP A 29 16.431 -19.530 4.885 1.00 1.00 O ATOM 448 CB ASP A 29 15.908 -20.950 7.470 1.00 1.00 C ATOM 449 CG ASP A 29 16.299 -20.958 8.950 1.00 1.00 C ATOM 450 OD1 ASP A 29 16.838 -19.953 9.462 1.00 1.00 O ATOM 451 OD2 ASP A 29 16.125 -22.039 9.576 1.00 1.00 O ATOM 0 H ASP A 29 13.293 -20.391 7.284 1.00 1.00 H new ATOM 0 HA ASP A 29 15.750 -18.769 7.374 1.00 1.00 H new ATOM 0 HB2 ASP A 29 15.234 -21.786 7.281 1.00 1.00 H new ATOM 0 HB3 ASP A 29 16.802 -21.119 6.870 1.00 1.00 H new ATOM 456 N ASP A 30 14.201 -19.368 4.734 1.00 1.00 N ATOM 457 CA ASP A 30 14.094 -19.093 3.287 1.00 1.00 C ATOM 458 C ASP A 30 14.174 -17.592 2.903 1.00 1.00 C ATOM 459 O ASP A 30 14.682 -17.226 1.839 1.00 1.00 O ATOM 460 CB ASP A 30 12.760 -19.706 2.813 1.00 1.00 C ATOM 461 CG ASP A 30 11.465 -19.101 3.396 1.00 1.00 C ATOM 462 OD1 ASP A 30 11.535 -18.383 4.408 1.00 1.00 O ATOM 463 OD2 ASP A 30 10.370 -19.408 2.860 1.00 1.00 O ATOM 0 H ASP A 30 13.285 -19.444 5.176 1.00 1.00 H new ATOM 0 HA ASP A 30 14.956 -19.540 2.792 1.00 1.00 H new ATOM 0 HB2 ASP A 30 12.715 -19.621 1.727 1.00 1.00 H new ATOM 0 HB3 ASP A 30 12.773 -20.770 3.049 1.00 1.00 H new ATOM 468 N PHE A 31 13.661 -16.737 3.788 1.00 1.00 N ATOM 469 CA PHE A 31 13.421 -15.299 3.651 1.00 1.00 C ATOM 470 C PHE A 31 14.575 -14.440 4.234 1.00 1.00 C ATOM 471 O PHE A 31 14.714 -14.232 5.448 1.00 1.00 O ATOM 472 CB PHE A 31 12.048 -14.955 4.259 1.00 1.00 C ATOM 473 CG PHE A 31 11.575 -13.544 3.937 1.00 1.00 C ATOM 474 CD1 PHE A 31 12.103 -12.443 4.648 1.00 1.00 C ATOM 475 CD2 PHE A 31 10.616 -13.312 2.922 1.00 1.00 C ATOM 476 CE1 PHE A 31 11.681 -11.129 4.369 1.00 1.00 C ATOM 477 CE2 PHE A 31 10.192 -11.992 2.639 1.00 1.00 C ATOM 478 CZ PHE A 31 10.722 -10.908 3.367 1.00 1.00 C ATOM 0 H PHE A 31 13.375 -17.066 4.710 1.00 1.00 H new ATOM 0 HA PHE A 31 13.401 -15.047 2.591 1.00 1.00 H new ATOM 0 HB2 PHE A 31 11.309 -15.669 3.894 1.00 1.00 H new ATOM 0 HB3 PHE A 31 12.099 -15.074 5.341 1.00 1.00 H new ATOM 0 HD1 PHE A 31 12.842 -12.612 5.417 1.00 1.00 H new ATOM 0 HD2 PHE A 31 10.208 -14.142 2.364 1.00 1.00 H new ATOM 0 HE1 PHE A 31 12.092 -10.297 4.922 1.00 1.00 H new ATOM 0 HE2 PHE A 31 9.461 -11.815 1.864 1.00 1.00 H new ATOM 0 HZ PHE A 31 10.389 -9.903 3.153 1.00 1.00 H new ATOM 488 N GLN A 32 15.363 -13.895 3.307 1.00 1.00 N ATOM 489 CA GLN A 32 16.508 -12.991 3.449 1.00 1.00 C ATOM 490 C GLN A 32 16.053 -11.521 3.269 1.00 1.00 C ATOM 491 O GLN A 32 15.311 -11.187 2.335 1.00 1.00 O ATOM 492 CB GLN A 32 17.532 -13.326 2.352 1.00 1.00 C ATOM 493 CG GLN A 32 18.124 -14.748 2.397 1.00 1.00 C ATOM 494 CD GLN A 32 18.553 -15.215 1.008 1.00 1.00 C ATOM 495 OE1 GLN A 32 17.959 -16.098 0.402 1.00 1.00 O ATOM 496 NE2 GLN A 32 19.605 -14.699 0.430 1.00 1.00 N ATOM 0 H GLN A 32 15.195 -14.100 2.322 1.00 1.00 H new ATOM 0 HA GLN A 32 16.945 -13.113 4.440 1.00 1.00 H new ATOM 0 HB2 GLN A 32 17.057 -13.181 1.382 1.00 1.00 H new ATOM 0 HB3 GLN A 32 18.351 -12.610 2.415 1.00 1.00 H new ATOM 0 HG2 GLN A 32 18.981 -14.766 3.070 1.00 1.00 H new ATOM 0 HG3 GLN A 32 17.385 -15.439 2.803 1.00 1.00 H new ATOM 0 HE21 GLN A 32 20.132 -13.961 0.896 1.00 1.00 H new ATOM 0 HE22 GLN A 32 19.899 -15.034 -0.487 1.00 1.00 H new ATOM 505 N TYR A 33 16.490 -10.640 4.171 1.00 1.00 N ATOM 506 CA TYR A 33 16.033 -9.237 4.288 1.00 1.00 C ATOM 507 C TYR A 33 17.170 -8.184 4.230 1.00 1.00 C ATOM 508 O TYR A 33 18.242 -8.383 4.812 1.00 1.00 O ATOM 509 CB TYR A 33 15.040 -9.106 5.475 1.00 1.00 C ATOM 510 CG TYR A 33 15.379 -8.122 6.585 1.00 1.00 C ATOM 511 CD1 TYR A 33 15.119 -6.748 6.381 1.00 1.00 C ATOM 512 CD2 TYR A 33 15.897 -8.564 7.826 1.00 1.00 C ATOM 513 CE1 TYR A 33 15.357 -5.821 7.418 1.00 1.00 C ATOM 514 CE2 TYR A 33 16.137 -7.634 8.866 1.00 1.00 C ATOM 515 CZ TYR A 33 15.866 -6.259 8.660 1.00 1.00 C ATOM 516 OH TYR A 33 16.050 -5.349 9.649 1.00 1.00 O ATOM 0 H TYR A 33 17.195 -10.883 4.867 1.00 1.00 H new ATOM 0 HA TYR A 33 15.474 -8.981 3.388 1.00 1.00 H new ATOM 0 HB2 TYR A 33 14.068 -8.828 5.068 1.00 1.00 H new ATOM 0 HB3 TYR A 33 14.927 -10.092 5.926 1.00 1.00 H new ATOM 0 HD1 TYR A 33 14.738 -6.407 5.430 1.00 1.00 H new ATOM 0 HD2 TYR A 33 16.109 -9.612 7.980 1.00 1.00 H new ATOM 0 HE1 TYR A 33 15.149 -4.773 7.261 1.00 1.00 H new ATOM 0 HE2 TYR A 33 16.526 -7.972 9.815 1.00 1.00 H new ATOM 0 HH TYR A 33 15.762 -5.732 10.504 1.00 1.00 H new ATOM 526 N GLN A 34 16.950 -7.068 3.520 1.00 1.00 N ATOM 527 CA GLN A 34 17.867 -5.915 3.424 1.00 1.00 C ATOM 528 C GLN A 34 17.149 -4.582 3.737 1.00 1.00 C ATOM 529 O GLN A 34 16.110 -4.270 3.152 1.00 1.00 O ATOM 530 CB GLN A 34 18.453 -5.854 1.997 1.00 1.00 C ATOM 531 CG GLN A 34 19.706 -4.957 1.898 1.00 1.00 C ATOM 532 CD GLN A 34 20.196 -4.793 0.459 1.00 1.00 C ATOM 533 OE1 GLN A 34 20.482 -5.753 -0.237 1.00 1.00 O ATOM 534 NE2 GLN A 34 20.338 -3.586 -0.039 1.00 1.00 N ATOM 0 H GLN A 34 16.098 -6.935 2.975 1.00 1.00 H new ATOM 0 HA GLN A 34 18.659 -6.050 4.161 1.00 1.00 H new ATOM 0 HB2 GLN A 34 18.708 -6.862 1.671 1.00 1.00 H new ATOM 0 HB3 GLN A 34 17.691 -5.481 1.313 1.00 1.00 H new ATOM 0 HG2 GLN A 34 19.480 -3.976 2.316 1.00 1.00 H new ATOM 0 HG3 GLN A 34 20.504 -5.385 2.504 1.00 1.00 H new ATOM 0 HE21 GLN A 34 20.104 -2.770 0.527 1.00 1.00 H new ATOM 0 HE22 GLN A 34 20.682 -3.465 -0.992 1.00 1.00 H new ATOM 543 N TYR A 35 17.739 -3.759 4.608 1.00 1.00 N ATOM 544 CA TYR A 35 17.253 -2.425 4.991 1.00 1.00 C ATOM 545 C TYR A 35 18.108 -1.253 4.454 1.00 1.00 C ATOM 546 O TYR A 35 19.331 -1.224 4.645 1.00 1.00 O ATOM 547 CB TYR A 35 17.038 -2.313 6.510 1.00 1.00 C ATOM 548 CG TYR A 35 16.487 -0.942 6.851 1.00 1.00 C ATOM 549 CD1 TYR A 35 15.262 -0.536 6.265 1.00 1.00 C ATOM 550 CD2 TYR A 35 17.307 -0.001 7.518 1.00 1.00 C ATOM 551 CE1 TYR A 35 14.879 0.816 6.304 1.00 1.00 C ATOM 552 CE2 TYR A 35 16.894 1.346 7.599 1.00 1.00 C ATOM 553 CZ TYR A 35 15.683 1.759 6.983 1.00 1.00 C ATOM 554 OH TYR A 35 15.287 3.051 7.061 1.00 1.00 O ATOM 0 H TYR A 35 18.604 -4.011 5.087 1.00 1.00 H new ATOM 0 HA TYR A 35 16.286 -2.325 4.497 1.00 1.00 H new ATOM 0 HB2 TYR A 35 16.348 -3.086 6.847 1.00 1.00 H new ATOM 0 HB3 TYR A 35 17.980 -2.477 7.033 1.00 1.00 H new ATOM 0 HD1 TYR A 35 14.623 -1.265 5.789 1.00 1.00 H new ATOM 0 HD2 TYR A 35 18.242 -0.311 7.962 1.00 1.00 H new ATOM 0 HE1 TYR A 35 13.970 1.134 5.815 1.00 1.00 H new ATOM 0 HE2 TYR A 35 17.500 2.064 8.131 1.00 1.00 H new ATOM 0 HH TYR A 35 15.842 3.524 7.715 1.00 1.00 H new ATOM 564 N VAL A 36 17.462 -0.295 3.766 1.00 1.00 N ATOM 565 CA VAL A 36 18.070 0.963 3.264 1.00 1.00 C ATOM 566 C VAL A 36 17.209 2.207 3.572 1.00 1.00 C ATOM 567 O VAL A 36 16.110 2.330 3.038 1.00 1.00 O ATOM 568 CB VAL A 36 18.335 0.884 1.729 1.00 1.00 C ATOM 569 CG1 VAL A 36 19.327 1.989 1.318 1.00 1.00 C ATOM 570 CG2 VAL A 36 18.874 -0.482 1.229 1.00 1.00 C ATOM 0 H VAL A 36 16.472 -0.371 3.534 1.00 1.00 H new ATOM 0 HA VAL A 36 19.016 1.072 3.794 1.00 1.00 H new ATOM 0 HB VAL A 36 17.360 1.018 1.260 1.00 1.00 H new ATOM 0 HG11 VAL A 36 19.511 1.932 0.245 1.00 1.00 H new ATOM 0 HG12 VAL A 36 18.907 2.965 1.563 1.00 1.00 H new ATOM 0 HG13 VAL A 36 20.266 1.853 1.855 1.00 1.00 H new ATOM 0 HG21 VAL A 36 19.027 -0.440 0.151 1.00 1.00 H new ATOM 0 HG22 VAL A 36 19.821 -0.702 1.722 1.00 1.00 H new ATOM 0 HG23 VAL A 36 18.153 -1.265 1.463 1.00 1.00 H new ATOM 580 N ASP A 37 17.623 3.137 4.445 1.00 1.00 N ATOM 581 CA ASP A 37 16.946 4.456 4.557 1.00 1.00 C ATOM 582 C ASP A 37 17.073 5.321 3.293 1.00 1.00 C ATOM 583 O ASP A 37 18.034 5.218 2.540 1.00 1.00 O ATOM 584 CB ASP A 37 17.228 5.279 5.844 1.00 1.00 C ATOM 585 CG ASP A 37 17.988 4.567 6.961 1.00 1.00 C ATOM 586 OD1 ASP A 37 19.132 4.153 6.781 1.00 1.00 O ATOM 587 OD2 ASP A 37 17.368 4.403 8.055 1.00 1.00 O ATOM 0 H ASP A 37 18.412 3.012 5.080 1.00 1.00 H new ATOM 0 HA ASP A 37 15.902 4.158 4.658 1.00 1.00 H new ATOM 0 HB2 ASP A 37 17.792 6.168 5.562 1.00 1.00 H new ATOM 0 HB3 ASP A 37 16.274 5.620 6.246 1.00 1.00 H new ATOM 592 N ILE A 38 16.126 6.244 3.085 1.00 1.00 N ATOM 593 CA ILE A 38 16.126 7.215 1.959 1.00 1.00 C ATOM 594 C ILE A 38 16.371 8.658 2.453 1.00 1.00 C ATOM 595 O ILE A 38 17.210 9.364 1.891 1.00 1.00 O ATOM 596 CB ILE A 38 14.905 7.004 1.003 1.00 1.00 C ATOM 597 CG1 ILE A 38 13.520 7.388 1.592 1.00 1.00 C ATOM 598 CG2 ILE A 38 14.891 5.551 0.476 1.00 1.00 C ATOM 599 CD1 ILE A 38 13.115 8.844 1.335 1.00 1.00 C ATOM 0 H ILE A 38 15.319 6.347 3.700 1.00 1.00 H new ATOM 0 HA ILE A 38 16.983 7.013 1.316 1.00 1.00 H new ATOM 0 HB ILE A 38 15.057 7.708 0.185 1.00 1.00 H new ATOM 0 HG12 ILE A 38 12.761 6.730 1.168 1.00 1.00 H new ATOM 0 HG13 ILE A 38 13.532 7.209 2.667 1.00 1.00 H new ATOM 0 HG21 ILE A 38 14.038 5.413 -0.188 1.00 1.00 H new ATOM 0 HG22 ILE A 38 15.813 5.354 -0.071 1.00 1.00 H new ATOM 0 HG23 ILE A 38 14.812 4.860 1.315 1.00 1.00 H new ATOM 0 HD11 ILE A 38 12.137 9.033 1.777 1.00 1.00 H new ATOM 0 HD12 ILE A 38 13.851 9.511 1.784 1.00 1.00 H new ATOM 0 HD13 ILE A 38 13.069 9.025 0.261 1.00 1.00 H new ATOM 611 N ARG A 39 15.791 9.055 3.602 1.00 1.00 N ATOM 612 CA ARG A 39 16.065 10.318 4.332 1.00 1.00 C ATOM 613 C ARG A 39 17.462 10.362 5.009 1.00 1.00 C ATOM 614 O ARG A 39 18.005 11.448 5.192 1.00 1.00 O ATOM 615 CB ARG A 39 14.907 10.600 5.324 1.00 1.00 C ATOM 616 CG ARG A 39 15.165 11.656 6.419 1.00 1.00 C ATOM 617 CD ARG A 39 13.874 12.104 7.135 1.00 1.00 C ATOM 618 NE ARG A 39 13.265 13.251 6.432 1.00 1.00 N ATOM 619 CZ ARG A 39 12.020 13.592 6.221 1.00 1.00 C ATOM 620 NH1 ARG A 39 11.006 12.969 6.706 1.00 1.00 N ATOM 621 NH2 ARG A 39 11.767 14.590 5.451 1.00 1.00 N ATOM 0 H ARG A 39 15.088 8.483 4.071 1.00 1.00 H new ATOM 0 HA ARG A 39 16.105 11.123 3.598 1.00 1.00 H new ATOM 0 HB2 ARG A 39 14.037 10.915 4.748 1.00 1.00 H new ATOM 0 HB3 ARG A 39 14.644 9.662 5.813 1.00 1.00 H new ATOM 0 HG2 ARG A 39 15.860 11.248 7.154 1.00 1.00 H new ATOM 0 HG3 ARG A 39 15.647 12.525 5.972 1.00 1.00 H new ATOM 0 HD2 ARG A 39 13.166 11.276 7.174 1.00 1.00 H new ATOM 0 HD3 ARG A 39 14.099 12.379 8.165 1.00 1.00 H new ATOM 0 HE ARG A 39 13.944 13.901 6.036 1.00 1.00 H new ATOM 0 HH11 ARG A 39 11.146 12.151 7.299 1.00 1.00 H new ATOM 0 HH12 ARG A 39 10.061 13.293 6.498 1.00 1.00 H new ATOM 0 HH21 ARG A 39 12.532 15.104 5.014 1.00 1.00 H new ATOM 0 HH22 ARG A 39 10.801 14.868 5.277 1.00 1.00 H new ATOM 635 N ALA A 40 18.054 9.217 5.375 1.00 1.00 N ATOM 636 CA ALA A 40 19.428 9.092 5.906 1.00 1.00 C ATOM 637 C ALA A 40 20.493 8.992 4.781 1.00 1.00 C ATOM 638 O ALA A 40 21.384 9.834 4.703 1.00 1.00 O ATOM 639 CB ALA A 40 19.496 7.918 6.901 1.00 1.00 C ATOM 0 H ALA A 40 17.577 8.318 5.309 1.00 1.00 H new ATOM 0 HA ALA A 40 19.674 10.007 6.446 1.00 1.00 H new ATOM 0 HB1 ALA A 40 20.510 7.829 7.290 1.00 1.00 H new ATOM 0 HB2 ALA A 40 18.806 8.099 7.725 1.00 1.00 H new ATOM 0 HB3 ALA A 40 19.220 6.994 6.393 1.00 1.00 H new ATOM 645 N GLU A 41 20.382 8.007 3.878 1.00 1.00 N ATOM 646 CA GLU A 41 21.246 7.821 2.679 1.00 1.00 C ATOM 647 C GLU A 41 21.208 8.936 1.599 1.00 1.00 C ATOM 648 O GLU A 41 22.144 9.047 0.808 1.00 1.00 O ATOM 649 CB GLU A 41 20.915 6.448 2.046 1.00 1.00 C ATOM 650 CG GLU A 41 21.956 5.819 1.095 1.00 1.00 C ATOM 651 CD GLU A 41 23.341 5.467 1.666 1.00 1.00 C ATOM 652 OE1 GLU A 41 24.001 6.301 2.329 1.00 1.00 O ATOM 653 OE2 GLU A 41 23.863 4.390 1.295 1.00 1.00 O ATOM 0 H GLU A 41 19.665 7.286 3.956 1.00 1.00 H new ATOM 0 HA GLU A 41 22.268 7.876 3.053 1.00 1.00 H new ATOM 0 HB2 GLU A 41 20.733 5.742 2.856 1.00 1.00 H new ATOM 0 HB3 GLU A 41 19.979 6.550 1.496 1.00 1.00 H new ATOM 0 HG2 GLU A 41 21.523 4.907 0.684 1.00 1.00 H new ATOM 0 HG3 GLU A 41 22.104 6.506 0.262 1.00 1.00 H new ATOM 660 N GLY A 42 20.156 9.767 1.543 1.00 1.00 N ATOM 661 CA GLY A 42 19.960 10.832 0.537 1.00 1.00 C ATOM 662 C GLY A 42 19.349 10.346 -0.790 1.00 1.00 C ATOM 663 O GLY A 42 19.871 10.638 -1.866 1.00 1.00 O ATOM 0 H GLY A 42 19.392 9.718 2.217 1.00 1.00 H new ATOM 0 HA2 GLY A 42 19.314 11.601 0.961 1.00 1.00 H new ATOM 0 HA3 GLY A 42 20.922 11.302 0.330 1.00 1.00 H new ATOM 667 N ILE A 43 18.231 9.616 -0.719 1.00 1.00 N ATOM 668 CA ILE A 43 17.400 9.070 -1.823 1.00 1.00 C ATOM 669 C ILE A 43 15.943 9.577 -1.712 1.00 1.00 C ATOM 670 O ILE A 43 15.472 9.982 -0.647 1.00 1.00 O ATOM 671 CB ILE A 43 17.457 7.509 -1.838 1.00 1.00 C ATOM 672 CG1 ILE A 43 18.890 6.900 -1.798 1.00 1.00 C ATOM 673 CG2 ILE A 43 16.679 6.921 -3.044 1.00 1.00 C ATOM 674 CD1 ILE A 43 18.889 5.470 -1.224 1.00 1.00 C ATOM 0 H ILE A 43 17.841 9.364 0.189 1.00 1.00 H new ATOM 0 HA ILE A 43 17.807 9.427 -2.769 1.00 1.00 H new ATOM 0 HB ILE A 43 16.976 7.220 -0.903 1.00 1.00 H new ATOM 0 HG12 ILE A 43 19.308 6.887 -2.805 1.00 1.00 H new ATOM 0 HG13 ILE A 43 19.538 7.534 -1.192 1.00 1.00 H new ATOM 0 HG21 ILE A 43 16.741 5.833 -3.021 1.00 1.00 H new ATOM 0 HG22 ILE A 43 15.634 7.226 -2.987 1.00 1.00 H new ATOM 0 HG23 ILE A 43 17.114 7.290 -3.973 1.00 1.00 H new ATOM 0 HD11 ILE A 43 19.907 5.081 -1.213 1.00 1.00 H new ATOM 0 HD12 ILE A 43 18.496 5.486 -0.207 1.00 1.00 H new ATOM 0 HD13 ILE A 43 18.263 4.829 -1.845 1.00 1.00 H new ATOM 686 N THR A 44 15.200 9.519 -2.820 1.00 1.00 N ATOM 687 CA THR A 44 13.830 10.055 -2.963 1.00 1.00 C ATOM 688 C THR A 44 12.961 9.317 -4.007 1.00 1.00 C ATOM 689 O THR A 44 13.463 8.583 -4.864 1.00 1.00 O ATOM 690 CB THR A 44 13.947 11.561 -3.278 1.00 1.00 C ATOM 691 OG1 THR A 44 12.677 12.150 -3.306 1.00 1.00 O ATOM 692 CG2 THR A 44 14.676 11.882 -4.584 1.00 1.00 C ATOM 0 H THR A 44 15.541 9.083 -3.677 1.00 1.00 H new ATOM 0 HA THR A 44 13.301 9.892 -2.024 1.00 1.00 H new ATOM 0 HB THR A 44 14.555 11.976 -2.474 1.00 1.00 H new ATOM 0 HG1 THR A 44 12.260 11.987 -4.178 1.00 1.00 H new ATOM 0 HG21 THR A 44 14.712 12.962 -4.725 1.00 1.00 H new ATOM 0 HG22 THR A 44 15.691 11.488 -4.540 1.00 1.00 H new ATOM 0 HG23 THR A 44 14.145 11.425 -5.419 1.00 1.00 H new ATOM 700 N LYS A 45 11.640 9.567 -3.976 1.00 1.00 N ATOM 701 CA LYS A 45 10.584 9.165 -4.947 1.00 1.00 C ATOM 702 C LYS A 45 10.999 9.196 -6.429 1.00 1.00 C ATOM 703 O LYS A 45 10.703 8.265 -7.174 1.00 1.00 O ATOM 704 CB LYS A 45 9.324 10.031 -4.654 1.00 1.00 C ATOM 705 CG LYS A 45 8.215 10.127 -5.727 1.00 1.00 C ATOM 706 CD LYS A 45 8.402 11.263 -6.765 1.00 1.00 C ATOM 707 CE LYS A 45 7.075 11.703 -7.414 1.00 1.00 C ATOM 708 NZ LYS A 45 6.333 12.699 -6.594 1.00 1.00 N ATOM 0 H LYS A 45 11.239 10.103 -3.206 1.00 1.00 H new ATOM 0 HA LYS A 45 10.373 8.107 -4.793 1.00 1.00 H new ATOM 0 HB2 LYS A 45 8.867 9.649 -3.741 1.00 1.00 H new ATOM 0 HB3 LYS A 45 9.664 11.044 -4.440 1.00 1.00 H new ATOM 0 HG2 LYS A 45 8.161 9.176 -6.257 1.00 1.00 H new ATOM 0 HG3 LYS A 45 7.257 10.268 -5.226 1.00 1.00 H new ATOM 0 HD2 LYS A 45 8.865 12.121 -6.278 1.00 1.00 H new ATOM 0 HD3 LYS A 45 9.088 10.929 -7.543 1.00 1.00 H new ATOM 0 HE2 LYS A 45 7.280 12.129 -8.396 1.00 1.00 H new ATOM 0 HE3 LYS A 45 6.445 10.827 -7.571 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 5.563 13.109 -7.159 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 5.935 12.231 -5.755 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 6.982 13.454 -6.294 1.00 1.00 H new ATOM 722 N GLU A 46 11.672 10.267 -6.838 1.00 1.00 N ATOM 723 CA GLU A 46 12.155 10.586 -8.193 1.00 1.00 C ATOM 724 C GLU A 46 13.161 9.524 -8.705 1.00 1.00 C ATOM 725 O GLU A 46 13.027 9.058 -9.837 1.00 1.00 O ATOM 726 CB GLU A 46 12.812 11.989 -8.183 1.00 1.00 C ATOM 727 CG GLU A 46 11.818 13.160 -7.987 1.00 1.00 C ATOM 728 CD GLU A 46 11.504 13.496 -6.507 1.00 1.00 C ATOM 729 OE1 GLU A 46 11.707 12.664 -5.591 1.00 1.00 O ATOM 730 OE2 GLU A 46 11.037 14.619 -6.218 1.00 1.00 O ATOM 0 H GLU A 46 11.919 11.004 -6.177 1.00 1.00 H new ATOM 0 HA GLU A 46 11.304 10.582 -8.873 1.00 1.00 H new ATOM 0 HB2 GLU A 46 13.556 12.023 -7.387 1.00 1.00 H new ATOM 0 HB3 GLU A 46 13.345 12.134 -9.123 1.00 1.00 H new ATOM 0 HG2 GLU A 46 12.224 14.049 -8.470 1.00 1.00 H new ATOM 0 HG3 GLU A 46 10.886 12.918 -8.497 1.00 1.00 H new ATOM 737 N ASP A 47 14.111 9.110 -7.850 1.00 1.00 N ATOM 738 CA ASP A 47 15.055 7.992 -8.038 1.00 1.00 C ATOM 739 C ASP A 47 14.314 6.633 -8.105 1.00 1.00 C ATOM 740 O ASP A 47 14.434 5.869 -9.070 1.00 1.00 O ATOM 741 CB ASP A 47 16.077 8.000 -6.862 1.00 1.00 C ATOM 742 CG ASP A 47 17.333 7.151 -7.095 1.00 1.00 C ATOM 743 OD1 ASP A 47 17.638 6.774 -8.245 1.00 1.00 O ATOM 744 OD2 ASP A 47 18.055 6.850 -6.115 1.00 1.00 O ATOM 0 H ASP A 47 14.250 9.575 -6.953 1.00 1.00 H new ATOM 0 HA ASP A 47 15.577 8.121 -8.986 1.00 1.00 H new ATOM 0 HB2 ASP A 47 16.382 9.029 -6.671 1.00 1.00 H new ATOM 0 HB3 ASP A 47 15.576 7.643 -5.962 1.00 1.00 H new ATOM 749 N LEU A 48 13.513 6.359 -7.063 1.00 1.00 N ATOM 750 CA LEU A 48 12.773 5.117 -6.828 1.00 1.00 C ATOM 751 C LEU A 48 11.807 4.744 -7.981 1.00 1.00 C ATOM 752 O LEU A 48 11.840 3.596 -8.418 1.00 1.00 O ATOM 753 CB LEU A 48 12.109 5.200 -5.430 1.00 1.00 C ATOM 754 CG LEU A 48 13.122 5.118 -4.249 1.00 1.00 C ATOM 755 CD1 LEU A 48 12.524 5.637 -2.936 1.00 1.00 C ATOM 756 CD2 LEU A 48 13.621 3.679 -4.037 1.00 1.00 C ATOM 0 H LEU A 48 13.358 7.041 -6.321 1.00 1.00 H new ATOM 0 HA LEU A 48 13.468 4.277 -6.825 1.00 1.00 H new ATOM 0 HB2 LEU A 48 11.554 6.135 -5.356 1.00 1.00 H new ATOM 0 HB3 LEU A 48 11.385 4.391 -5.333 1.00 1.00 H new ATOM 0 HG LEU A 48 13.961 5.756 -4.526 1.00 1.00 H new ATOM 0 HD11 LEU A 48 13.267 5.560 -2.142 1.00 1.00 H new ATOM 0 HD12 LEU A 48 12.229 6.679 -3.057 1.00 1.00 H new ATOM 0 HD13 LEU A 48 11.650 5.041 -2.674 1.00 1.00 H new ATOM 0 HD21 LEU A 48 14.326 3.657 -3.206 1.00 1.00 H new ATOM 0 HD22 LEU A 48 12.775 3.030 -3.812 1.00 1.00 H new ATOM 0 HD23 LEU A 48 14.117 3.329 -4.942 1.00 1.00 H new ATOM 768 N GLN A 49 11.010 5.678 -8.533 1.00 1.00 N ATOM 769 CA GLN A 49 10.133 5.453 -9.713 1.00 1.00 C ATOM 770 C GLN A 49 10.878 5.132 -11.030 1.00 1.00 C ATOM 771 O GLN A 49 10.401 4.297 -11.797 1.00 1.00 O ATOM 772 CB GLN A 49 9.147 6.624 -9.910 1.00 1.00 C ATOM 773 CG GLN A 49 9.718 7.947 -10.448 1.00 1.00 C ATOM 774 CD GLN A 49 8.613 8.952 -10.764 1.00 1.00 C ATOM 775 OE1 GLN A 49 8.450 9.400 -11.880 1.00 1.00 O ATOM 776 NE2 GLN A 49 7.747 9.317 -9.849 1.00 1.00 N ATOM 0 H GLN A 49 10.952 6.629 -8.170 1.00 1.00 H new ATOM 0 HA GLN A 49 9.576 4.547 -9.474 1.00 1.00 H new ATOM 0 HB2 GLN A 49 8.363 6.293 -10.592 1.00 1.00 H new ATOM 0 HB3 GLN A 49 8.670 6.828 -8.951 1.00 1.00 H new ATOM 0 HG2 GLN A 49 10.400 8.375 -9.713 1.00 1.00 H new ATOM 0 HG3 GLN A 49 10.301 7.752 -11.348 1.00 1.00 H new ATOM 0 HE21 GLN A 49 7.837 8.970 -8.894 1.00 1.00 H new ATOM 0 HE22 GLN A 49 6.983 9.948 -10.092 1.00 1.00 H new ATOM 785 N GLN A 50 12.047 5.743 -11.297 1.00 1.00 N ATOM 786 CA GLN A 50 12.894 5.411 -12.464 1.00 1.00 C ATOM 787 C GLN A 50 13.473 3.983 -12.361 1.00 1.00 C ATOM 788 O GLN A 50 13.226 3.162 -13.249 1.00 1.00 O ATOM 789 CB GLN A 50 14.004 6.454 -12.696 1.00 1.00 C ATOM 790 CG GLN A 50 13.476 7.837 -13.127 1.00 1.00 C ATOM 791 CD GLN A 50 14.532 8.842 -13.605 1.00 1.00 C ATOM 792 OE1 GLN A 50 14.217 9.954 -13.993 1.00 1.00 O ATOM 793 NE2 GLN A 50 15.807 8.548 -13.663 1.00 1.00 N ATOM 0 H GLN A 50 12.434 6.482 -10.710 1.00 1.00 H new ATOM 0 HA GLN A 50 12.245 5.440 -13.339 1.00 1.00 H new ATOM 0 HB2 GLN A 50 14.583 6.566 -11.779 1.00 1.00 H new ATOM 0 HB3 GLN A 50 14.686 6.081 -13.460 1.00 1.00 H new ATOM 0 HG2 GLN A 50 12.751 7.693 -13.928 1.00 1.00 H new ATOM 0 HG3 GLN A 50 12.939 8.277 -12.287 1.00 1.00 H new ATOM 0 HE21 GLN A 50 16.134 7.633 -13.353 1.00 1.00 H new ATOM 0 HE22 GLN A 50 16.473 9.234 -14.018 1.00 1.00 H new ATOM 802 N LYS A 51 14.141 3.648 -11.243 1.00 1.00 N ATOM 803 CA LYS A 51 14.607 2.285 -10.882 1.00 1.00 C ATOM 804 C LYS A 51 13.499 1.212 -10.901 1.00 1.00 C ATOM 805 O LYS A 51 13.694 0.134 -11.465 1.00 1.00 O ATOM 806 CB LYS A 51 15.366 2.336 -9.538 1.00 1.00 C ATOM 807 CG LYS A 51 16.769 2.950 -9.720 1.00 1.00 C ATOM 808 CD LYS A 51 17.437 3.358 -8.398 1.00 1.00 C ATOM 809 CE LYS A 51 18.867 3.833 -8.692 1.00 1.00 C ATOM 810 NZ LYS A 51 19.380 4.720 -7.628 1.00 1.00 N ATOM 0 H LYS A 51 14.383 4.341 -10.535 1.00 1.00 H new ATOM 0 HA LYS A 51 15.294 1.961 -11.663 1.00 1.00 H new ATOM 0 HB2 LYS A 51 14.798 2.924 -8.817 1.00 1.00 H new ATOM 0 HB3 LYS A 51 15.456 1.330 -9.128 1.00 1.00 H new ATOM 0 HG2 LYS A 51 17.407 2.231 -10.233 1.00 1.00 H new ATOM 0 HG3 LYS A 51 16.693 3.826 -10.364 1.00 1.00 H new ATOM 0 HD2 LYS A 51 16.867 4.153 -7.917 1.00 1.00 H new ATOM 0 HD3 LYS A 51 17.454 2.515 -7.708 1.00 1.00 H new ATOM 0 HE2 LYS A 51 19.524 2.969 -8.793 1.00 1.00 H new ATOM 0 HE3 LYS A 51 18.886 4.361 -9.646 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 20.405 4.581 -7.525 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 19.189 5.711 -7.880 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 18.908 4.494 -6.730 1.00 1.00 H new ATOM 824 N ALA A 52 12.324 1.527 -10.346 1.00 1.00 N ATOM 825 CA ALA A 52 11.105 0.711 -10.380 1.00 1.00 C ATOM 826 C ALA A 52 10.384 0.580 -11.744 1.00 1.00 C ATOM 827 O ALA A 52 9.645 -0.388 -11.928 1.00 1.00 O ATOM 828 CB ALA A 52 10.122 1.321 -9.368 1.00 1.00 C ATOM 0 H ALA A 52 12.190 2.400 -9.836 1.00 1.00 H new ATOM 0 HA ALA A 52 11.426 -0.304 -10.147 1.00 1.00 H new ATOM 0 HB1 ALA A 52 9.199 0.741 -9.363 1.00 1.00 H new ATOM 0 HB2 ALA A 52 10.567 1.304 -8.373 1.00 1.00 H new ATOM 0 HB3 ALA A 52 9.902 2.351 -9.650 1.00 1.00 H new ATOM 834 N GLY A 53 10.524 1.537 -12.674 1.00 1.00 N ATOM 835 CA GLY A 53 9.728 1.668 -13.913 1.00 1.00 C ATOM 836 C GLY A 53 8.276 2.154 -13.685 1.00 1.00 C ATOM 837 O GLY A 53 7.780 2.988 -14.445 1.00 1.00 O ATOM 0 H GLY A 53 11.223 2.274 -12.583 1.00 1.00 H new ATOM 0 HA2 GLY A 53 10.232 2.365 -14.583 1.00 1.00 H new ATOM 0 HA3 GLY A 53 9.701 0.703 -14.418 1.00 1.00 H new ATOM 841 N LYS A 54 7.616 1.679 -12.618 1.00 1.00 N ATOM 842 CA LYS A 54 6.312 2.104 -12.075 1.00 1.00 C ATOM 843 C LYS A 54 6.376 3.577 -11.595 1.00 1.00 C ATOM 844 O LYS A 54 7.210 3.882 -10.739 1.00 1.00 O ATOM 845 CB LYS A 54 5.911 1.143 -10.926 1.00 1.00 C ATOM 846 CG LYS A 54 4.727 1.589 -10.032 1.00 1.00 C ATOM 847 CD LYS A 54 3.308 1.410 -10.613 1.00 1.00 C ATOM 848 CE LYS A 54 2.303 2.107 -9.673 1.00 1.00 C ATOM 849 NZ LYS A 54 0.904 1.979 -10.135 1.00 1.00 N ATOM 0 H LYS A 54 8.014 0.921 -12.063 1.00 1.00 H new ATOM 0 HA LYS A 54 5.551 2.056 -12.854 1.00 1.00 H new ATOM 0 HB2 LYS A 54 5.663 0.175 -11.362 1.00 1.00 H new ATOM 0 HB3 LYS A 54 6.782 0.992 -10.288 1.00 1.00 H new ATOM 0 HG2 LYS A 54 4.782 1.035 -9.095 1.00 1.00 H new ATOM 0 HG3 LYS A 54 4.864 2.643 -9.789 1.00 1.00 H new ATOM 0 HD2 LYS A 54 3.251 1.839 -11.613 1.00 1.00 H new ATOM 0 HD3 LYS A 54 3.068 0.351 -10.706 1.00 1.00 H new ATOM 0 HE2 LYS A 54 2.391 1.681 -8.674 1.00 1.00 H new ATOM 0 HE3 LYS A 54 2.559 3.163 -9.593 1.00 1.00 H new ATOM 0 HZ1 LYS A 54 0.272 2.465 -9.467 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 0.809 2.409 -11.077 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 0.646 0.973 -10.186 1.00 1.00 H new ATOM 863 N PRO A 55 5.482 4.484 -12.056 1.00 1.00 N ATOM 864 CA PRO A 55 5.350 5.835 -11.494 1.00 1.00 C ATOM 865 C PRO A 55 4.868 5.772 -10.025 1.00 1.00 C ATOM 866 O PRO A 55 3.710 5.454 -9.742 1.00 1.00 O ATOM 867 CB PRO A 55 4.390 6.579 -12.431 1.00 1.00 C ATOM 868 CG PRO A 55 3.526 5.471 -13.028 1.00 1.00 C ATOM 869 CD PRO A 55 4.471 4.272 -13.086 1.00 1.00 C ATOM 0 HA PRO A 55 6.300 6.368 -11.445 1.00 1.00 H new ATOM 0 HB2 PRO A 55 3.787 7.307 -11.889 1.00 1.00 H new ATOM 0 HB3 PRO A 55 4.930 7.125 -13.205 1.00 1.00 H new ATOM 0 HG2 PRO A 55 2.654 5.265 -12.408 1.00 1.00 H new ATOM 0 HG3 PRO A 55 3.157 5.739 -14.018 1.00 1.00 H new ATOM 0 HD2 PRO A 55 3.929 3.343 -12.910 1.00 1.00 H new ATOM 0 HD3 PRO A 55 4.932 4.190 -14.070 1.00 1.00 H new ATOM 877 N VAL A 56 5.784 6.023 -9.079 1.00 1.00 N ATOM 878 CA VAL A 56 5.512 6.121 -7.626 1.00 1.00 C ATOM 879 C VAL A 56 5.426 7.580 -7.148 1.00 1.00 C ATOM 880 O VAL A 56 6.171 8.441 -7.613 1.00 1.00 O ATOM 881 CB VAL A 56 6.465 5.283 -6.728 1.00 1.00 C ATOM 882 CG1 VAL A 56 6.584 3.798 -7.151 1.00 1.00 C ATOM 883 CG2 VAL A 56 7.893 5.825 -6.543 1.00 1.00 C ATOM 0 H VAL A 56 6.768 6.169 -9.305 1.00 1.00 H new ATOM 0 HA VAL A 56 4.529 5.665 -7.504 1.00 1.00 H new ATOM 0 HB VAL A 56 5.951 5.372 -5.771 1.00 1.00 H new ATOM 0 HG11 VAL A 56 7.266 3.281 -6.476 1.00 1.00 H new ATOM 0 HG12 VAL A 56 5.602 3.327 -7.105 1.00 1.00 H new ATOM 0 HG13 VAL A 56 6.968 3.739 -8.170 1.00 1.00 H new ATOM 0 HG21 VAL A 56 8.457 5.152 -5.897 1.00 1.00 H new ATOM 0 HG22 VAL A 56 8.385 5.894 -7.513 1.00 1.00 H new ATOM 0 HG23 VAL A 56 7.851 6.814 -6.087 1.00 1.00 H new ATOM 893 N GLU A 57 4.536 7.838 -6.185 1.00 1.00 N ATOM 894 CA GLU A 57 4.318 9.145 -5.514 1.00 1.00 C ATOM 895 C GLU A 57 4.679 9.156 -4.011 1.00 1.00 C ATOM 896 O GLU A 57 5.156 10.168 -3.491 1.00 1.00 O ATOM 897 CB GLU A 57 2.839 9.575 -5.675 1.00 1.00 C ATOM 898 CG GLU A 57 2.546 10.448 -6.905 1.00 1.00 C ATOM 899 CD GLU A 57 3.400 11.723 -6.977 1.00 1.00 C ATOM 900 OE1 GLU A 57 3.556 12.438 -5.962 1.00 1.00 O ATOM 901 OE2 GLU A 57 3.989 12.006 -8.043 1.00 1.00 O ATOM 0 H GLU A 57 3.913 7.114 -5.827 1.00 1.00 H new ATOM 0 HA GLU A 57 4.994 9.845 -6.004 1.00 1.00 H new ATOM 0 HB2 GLU A 57 2.220 8.679 -5.728 1.00 1.00 H new ATOM 0 HB3 GLU A 57 2.535 10.120 -4.781 1.00 1.00 H new ATOM 0 HG2 GLU A 57 2.714 9.858 -7.806 1.00 1.00 H new ATOM 0 HG3 GLU A 57 1.492 10.727 -6.898 1.00 1.00 H new ATOM 908 N THR A 58 4.430 8.040 -3.317 1.00 1.00 N ATOM 909 CA THR A 58 4.519 7.866 -1.849 1.00 1.00 C ATOM 910 C THR A 58 5.148 6.514 -1.442 1.00 1.00 C ATOM 911 O THR A 58 5.677 5.772 -2.275 1.00 1.00 O ATOM 912 CB THR A 58 3.140 8.086 -1.172 1.00 1.00 C ATOM 913 OG1 THR A 58 2.185 7.134 -1.569 1.00 1.00 O ATOM 914 CG2 THR A 58 2.510 9.455 -1.443 1.00 1.00 C ATOM 0 H THR A 58 4.144 7.180 -3.785 1.00 1.00 H new ATOM 0 HA THR A 58 5.198 8.637 -1.484 1.00 1.00 H new ATOM 0 HB THR A 58 3.379 7.997 -0.112 1.00 1.00 H new ATOM 0 HG1 THR A 58 1.377 7.235 -1.024 1.00 1.00 H new ATOM 0 HG21 THR A 58 1.550 9.521 -0.932 1.00 1.00 H new ATOM 0 HG22 THR A 58 3.172 10.239 -1.075 1.00 1.00 H new ATOM 0 HG23 THR A 58 2.360 9.580 -2.515 1.00 1.00 H new ATOM 922 N VAL A 59 5.217 6.248 -0.135 1.00 1.00 N ATOM 923 CA VAL A 59 5.579 4.955 0.512 1.00 1.00 C ATOM 924 C VAL A 59 4.352 4.017 0.637 1.00 1.00 C ATOM 925 O VAL A 59 3.234 4.517 0.580 1.00 1.00 O ATOM 926 CB VAL A 59 6.203 5.168 1.923 1.00 1.00 C ATOM 927 CG1 VAL A 59 7.732 5.245 1.818 1.00 1.00 C ATOM 928 CG2 VAL A 59 5.597 6.354 2.697 1.00 1.00 C ATOM 0 H VAL A 59 5.010 6.968 0.557 1.00 1.00 H new ATOM 0 HA VAL A 59 6.321 4.488 -0.135 1.00 1.00 H new ATOM 0 HB VAL A 59 5.945 4.297 2.525 1.00 1.00 H new ATOM 0 HG11 VAL A 59 8.158 5.394 2.810 1.00 1.00 H new ATOM 0 HG12 VAL A 59 8.115 4.316 1.395 1.00 1.00 H new ATOM 0 HG13 VAL A 59 8.011 6.079 1.174 1.00 1.00 H new ATOM 0 HG21 VAL A 59 6.082 6.439 3.670 1.00 1.00 H new ATOM 0 HG22 VAL A 59 5.751 7.274 2.133 1.00 1.00 H new ATOM 0 HG23 VAL A 59 4.529 6.189 2.837 1.00 1.00 H new ATOM 938 N PRO A 60 4.518 2.692 0.858 1.00 1.00 N ATOM 939 CA PRO A 60 5.801 1.982 0.987 1.00 1.00 C ATOM 940 C PRO A 60 6.561 1.809 -0.346 1.00 1.00 C ATOM 941 O PRO A 60 6.018 2.031 -1.428 1.00 1.00 O ATOM 942 CB PRO A 60 5.429 0.654 1.640 1.00 1.00 C ATOM 943 CG PRO A 60 4.013 0.360 1.135 1.00 1.00 C ATOM 944 CD PRO A 60 3.407 1.738 0.878 1.00 1.00 C ATOM 0 HA PRO A 60 6.512 2.553 1.584 1.00 1.00 H new ATOM 0 HB2 PRO A 60 6.124 -0.136 1.355 1.00 1.00 H new ATOM 0 HB3 PRO A 60 5.456 0.725 2.727 1.00 1.00 H new ATOM 0 HG2 PRO A 60 4.032 -0.241 0.226 1.00 1.00 H new ATOM 0 HG3 PRO A 60 3.436 -0.197 1.873 1.00 1.00 H new ATOM 0 HD2 PRO A 60 2.868 1.753 -0.069 1.00 1.00 H new ATOM 0 HD3 PRO A 60 2.690 1.996 1.657 1.00 1.00 H new ATOM 952 N GLN A 61 7.848 1.461 -0.243 1.00 1.00 N ATOM 953 CA GLN A 61 8.789 1.217 -1.344 1.00 1.00 C ATOM 954 C GLN A 61 9.696 0.009 -1.041 1.00 1.00 C ATOM 955 O GLN A 61 10.840 0.127 -0.595 1.00 1.00 O ATOM 956 CB GLN A 61 9.576 2.509 -1.680 1.00 1.00 C ATOM 957 CG GLN A 61 8.734 3.616 -2.356 1.00 1.00 C ATOM 958 CD GLN A 61 7.970 3.157 -3.601 1.00 1.00 C ATOM 959 OE1 GLN A 61 8.401 2.329 -4.388 1.00 1.00 O ATOM 960 NE2 GLN A 61 6.802 3.675 -3.875 1.00 1.00 N ATOM 0 H GLN A 61 8.289 1.334 0.668 1.00 1.00 H new ATOM 0 HA GLN A 61 8.229 0.952 -2.241 1.00 1.00 H new ATOM 0 HB2 GLN A 61 10.005 2.907 -0.761 1.00 1.00 H new ATOM 0 HB3 GLN A 61 10.408 2.252 -2.335 1.00 1.00 H new ATOM 0 HG2 GLN A 61 8.021 4.007 -1.631 1.00 1.00 H new ATOM 0 HG3 GLN A 61 9.393 4.440 -2.632 1.00 1.00 H new ATOM 0 HE21 GLN A 61 6.394 4.372 -3.251 1.00 1.00 H new ATOM 0 HE22 GLN A 61 6.298 3.383 -4.712 1.00 1.00 H new ATOM 969 N ILE A 62 9.140 -1.180 -1.270 1.00 1.00 N ATOM 970 CA ILE A 62 9.789 -2.504 -1.125 1.00 1.00 C ATOM 971 C ILE A 62 10.028 -3.197 -2.488 1.00 1.00 C ATOM 972 O ILE A 62 9.212 -3.118 -3.403 1.00 1.00 O ATOM 973 CB ILE A 62 8.972 -3.369 -0.116 1.00 1.00 C ATOM 974 CG1 ILE A 62 9.120 -2.736 1.296 1.00 1.00 C ATOM 975 CG2 ILE A 62 9.403 -4.853 -0.116 1.00 1.00 C ATOM 976 CD1 ILE A 62 8.308 -3.340 2.447 1.00 1.00 C ATOM 0 H ILE A 62 8.171 -1.262 -1.579 1.00 1.00 H new ATOM 0 HA ILE A 62 10.789 -2.369 -0.714 1.00 1.00 H new ATOM 0 HB ILE A 62 7.926 -3.371 -0.421 1.00 1.00 H new ATOM 0 HG12 ILE A 62 10.173 -2.780 1.572 1.00 1.00 H new ATOM 0 HG13 ILE A 62 8.855 -1.682 1.218 1.00 1.00 H new ATOM 0 HG21 ILE A 62 8.801 -5.407 0.605 1.00 1.00 H new ATOM 0 HG22 ILE A 62 9.257 -5.274 -1.111 1.00 1.00 H new ATOM 0 HG23 ILE A 62 10.455 -4.926 0.158 1.00 1.00 H new ATOM 0 HD11 ILE A 62 8.517 -2.793 3.366 1.00 1.00 H new ATOM 0 HD12 ILE A 62 7.245 -3.271 2.217 1.00 1.00 H new ATOM 0 HD13 ILE A 62 8.584 -4.386 2.577 1.00 1.00 H new ATOM 988 N PHE A 63 11.141 -3.927 -2.610 1.00 1.00 N ATOM 989 CA PHE A 63 11.458 -4.821 -3.737 1.00 1.00 C ATOM 990 C PHE A 63 11.537 -6.278 -3.214 1.00 1.00 C ATOM 991 O PHE A 63 12.025 -6.521 -2.105 1.00 1.00 O ATOM 992 CB PHE A 63 12.772 -4.381 -4.429 1.00 1.00 C ATOM 993 CG PHE A 63 12.722 -3.072 -5.232 1.00 1.00 C ATOM 994 CD1 PHE A 63 12.565 -1.835 -4.560 1.00 1.00 C ATOM 995 CD2 PHE A 63 12.924 -3.058 -6.636 1.00 1.00 C ATOM 996 CE1 PHE A 63 12.603 -0.613 -5.266 1.00 1.00 C ATOM 997 CE2 PHE A 63 12.956 -1.835 -7.350 1.00 1.00 C ATOM 998 CZ PHE A 63 12.798 -0.610 -6.662 1.00 1.00 C ATOM 0 H PHE A 63 11.875 -3.914 -1.902 1.00 1.00 H new ATOM 0 HA PHE A 63 10.672 -4.765 -4.490 1.00 1.00 H new ATOM 0 HB2 PHE A 63 13.543 -4.283 -3.665 1.00 1.00 H new ATOM 0 HB3 PHE A 63 13.088 -5.180 -5.100 1.00 1.00 H new ATOM 0 HD1 PHE A 63 12.414 -1.827 -3.491 1.00 1.00 H new ATOM 0 HD2 PHE A 63 13.055 -3.990 -7.166 1.00 1.00 H new ATOM 0 HE1 PHE A 63 12.483 0.320 -4.736 1.00 1.00 H new ATOM 0 HE2 PHE A 63 13.101 -1.838 -8.420 1.00 1.00 H new ATOM 0 HZ PHE A 63 12.827 0.324 -7.204 1.00 1.00 H new ATOM 1008 N VAL A 64 11.049 -7.250 -3.996 1.00 1.00 N ATOM 1009 CA VAL A 64 11.084 -8.713 -3.705 1.00 1.00 C ATOM 1010 C VAL A 64 11.747 -9.466 -4.870 1.00 1.00 C ATOM 1011 O VAL A 64 11.403 -9.252 -6.031 1.00 1.00 O ATOM 1012 CB VAL A 64 9.694 -9.316 -3.384 1.00 1.00 C ATOM 1013 CG1 VAL A 64 9.859 -10.776 -2.919 1.00 1.00 C ATOM 1014 CG2 VAL A 64 8.957 -8.556 -2.265 1.00 1.00 C ATOM 0 H VAL A 64 10.598 -7.044 -4.887 1.00 1.00 H new ATOM 0 HA VAL A 64 11.679 -8.836 -2.800 1.00 1.00 H new ATOM 0 HB VAL A 64 9.107 -9.244 -4.300 1.00 1.00 H new ATOM 0 HG11 VAL A 64 8.880 -11.199 -2.693 1.00 1.00 H new ATOM 0 HG12 VAL A 64 10.332 -11.358 -3.709 1.00 1.00 H new ATOM 0 HG13 VAL A 64 10.481 -10.805 -2.025 1.00 1.00 H new ATOM 0 HG21 VAL A 64 7.989 -9.024 -2.084 1.00 1.00 H new ATOM 0 HG22 VAL A 64 9.551 -8.586 -1.352 1.00 1.00 H new ATOM 0 HG23 VAL A 64 8.808 -7.519 -2.566 1.00 1.00 H new ATOM 1024 N ASP A 65 12.727 -10.322 -4.556 1.00 1.00 N ATOM 1025 CA ASP A 65 13.667 -11.006 -5.469 1.00 1.00 C ATOM 1026 C ASP A 65 14.107 -10.159 -6.701 1.00 1.00 C ATOM 1027 O ASP A 65 14.226 -10.627 -7.839 1.00 1.00 O ATOM 1028 CB ASP A 65 13.242 -12.477 -5.715 1.00 1.00 C ATOM 1029 CG ASP A 65 14.274 -13.440 -5.116 1.00 1.00 C ATOM 1030 OD1 ASP A 65 15.398 -13.506 -5.660 1.00 1.00 O ATOM 1031 OD2 ASP A 65 14.007 -14.098 -4.080 1.00 1.00 O ATOM 0 H ASP A 65 12.901 -10.578 -3.584 1.00 1.00 H new ATOM 0 HA ASP A 65 14.628 -11.094 -4.962 1.00 1.00 H new ATOM 0 HB2 ASP A 65 12.264 -12.659 -5.269 1.00 1.00 H new ATOM 0 HB3 ASP A 65 13.143 -12.659 -6.785 1.00 1.00 H new ATOM 1036 N GLN A 66 14.373 -8.874 -6.410 1.00 1.00 N ATOM 1037 CA GLN A 66 14.900 -7.753 -7.209 1.00 1.00 C ATOM 1038 C GLN A 66 13.850 -6.988 -8.068 1.00 1.00 C ATOM 1039 O GLN A 66 14.191 -5.997 -8.727 1.00 1.00 O ATOM 1040 CB GLN A 66 16.178 -8.183 -7.974 1.00 1.00 C ATOM 1041 CG GLN A 66 17.224 -8.982 -7.148 1.00 1.00 C ATOM 1042 CD GLN A 66 17.652 -8.333 -5.824 1.00 1.00 C ATOM 1043 OE1 GLN A 66 16.924 -8.233 -4.848 1.00 1.00 O ATOM 1044 NE2 GLN A 66 18.876 -7.892 -5.705 1.00 1.00 N ATOM 0 H GLN A 66 14.194 -8.550 -5.460 1.00 1.00 H new ATOM 0 HA GLN A 66 15.193 -6.980 -6.498 1.00 1.00 H new ATOM 0 HB2 GLN A 66 15.880 -8.788 -8.830 1.00 1.00 H new ATOM 0 HB3 GLN A 66 16.661 -7.289 -8.368 1.00 1.00 H new ATOM 0 HG2 GLN A 66 16.815 -9.969 -6.934 1.00 1.00 H new ATOM 0 HG3 GLN A 66 18.111 -9.131 -7.764 1.00 1.00 H new ATOM 0 HE21 GLN A 66 19.520 -7.955 -6.494 1.00 1.00 H new ATOM 0 HE22 GLN A 66 19.188 -7.485 -4.823 1.00 1.00 H new ATOM 1053 N GLN A 67 12.559 -7.353 -7.986 1.00 1.00 N ATOM 1054 CA GLN A 67 11.410 -6.707 -8.655 1.00 1.00 C ATOM 1055 C GLN A 67 10.762 -5.637 -7.749 1.00 1.00 C ATOM 1056 O GLN A 67 10.588 -5.858 -6.550 1.00 1.00 O ATOM 1057 CB GLN A 67 10.337 -7.772 -8.993 1.00 1.00 C ATOM 1058 CG GLN A 67 9.244 -7.265 -9.966 1.00 1.00 C ATOM 1059 CD GLN A 67 7.911 -7.987 -9.787 1.00 1.00 C ATOM 1060 OE1 GLN A 67 7.721 -9.122 -10.196 1.00 1.00 O ATOM 1061 NE2 GLN A 67 6.917 -7.360 -9.209 1.00 1.00 N ATOM 0 H GLN A 67 12.270 -8.151 -7.420 1.00 1.00 H new ATOM 0 HA GLN A 67 11.780 -6.230 -9.562 1.00 1.00 H new ATOM 0 HB2 GLN A 67 10.826 -8.642 -9.431 1.00 1.00 H new ATOM 0 HB3 GLN A 67 9.863 -8.104 -8.069 1.00 1.00 H new ATOM 0 HG2 GLN A 67 9.096 -6.196 -9.814 1.00 1.00 H new ATOM 0 HG3 GLN A 67 9.588 -7.396 -10.992 1.00 1.00 H new ATOM 0 HE21 GLN A 67 7.048 -6.411 -8.858 1.00 1.00 H new ATOM 0 HE22 GLN A 67 6.012 -7.820 -9.110 1.00 1.00 H new ATOM 1070 N HIS A 68 10.344 -4.492 -8.314 1.00 1.00 N ATOM 1071 CA HIS A 68 9.520 -3.493 -7.601 1.00 1.00 C ATOM 1072 C HIS A 68 8.165 -4.104 -7.167 1.00 1.00 C ATOM 1073 O HIS A 68 7.423 -4.648 -7.991 1.00 1.00 O ATOM 1074 CB HIS A 68 9.308 -2.210 -8.437 1.00 1.00 C ATOM 1075 CG HIS A 68 8.469 -1.185 -7.693 1.00 1.00 C ATOM 1076 ND1 HIS A 68 7.092 -1.080 -7.737 1.00 1.00 N ATOM 1077 CD2 HIS A 68 8.920 -0.278 -6.770 1.00 1.00 C ATOM 1078 CE1 HIS A 68 6.718 -0.149 -6.837 1.00 1.00 C ATOM 1079 NE2 HIS A 68 7.815 0.357 -6.239 1.00 1.00 N ATOM 0 H HIS A 68 10.565 -4.230 -9.275 1.00 1.00 H new ATOM 0 HA HIS A 68 10.069 -3.203 -6.705 1.00 1.00 H new ATOM 0 HB2 HIS A 68 10.276 -1.775 -8.687 1.00 1.00 H new ATOM 0 HB3 HIS A 68 8.820 -2.465 -9.378 1.00 1.00 H new ATOM 0 HD2 HIS A 68 9.951 -0.094 -6.506 1.00 1.00 H new ATOM 0 HE1 HIS A 68 5.700 0.145 -6.628 1.00 1.00 H new ATOM 0 HE2 HIS A 68 7.827 1.081 -5.521 1.00 1.00 H new ATOM 1088 N ILE A 69 7.849 -3.928 -5.887 1.00 1.00 N ATOM 1089 CA ILE A 69 6.577 -4.197 -5.191 1.00 1.00 C ATOM 1090 C ILE A 69 6.138 -2.904 -4.440 1.00 1.00 C ATOM 1091 O ILE A 69 6.863 -1.906 -4.390 1.00 1.00 O ATOM 1092 CB ILE A 69 6.791 -5.458 -4.285 1.00 1.00 C ATOM 1093 CG1 ILE A 69 7.025 -6.755 -5.116 1.00 1.00 C ATOM 1094 CG2 ILE A 69 5.682 -5.716 -3.243 1.00 1.00 C ATOM 1095 CD1 ILE A 69 5.864 -7.194 -6.025 1.00 1.00 C ATOM 0 H ILE A 69 8.543 -3.556 -5.238 1.00 1.00 H new ATOM 0 HA ILE A 69 5.754 -4.435 -5.865 1.00 1.00 H new ATOM 0 HB ILE A 69 7.693 -5.208 -3.727 1.00 1.00 H new ATOM 0 HG12 ILE A 69 7.910 -6.611 -5.735 1.00 1.00 H new ATOM 0 HG13 ILE A 69 7.248 -7.569 -4.426 1.00 1.00 H new ATOM 0 HG21 ILE A 69 5.924 -6.610 -2.668 1.00 1.00 H new ATOM 0 HG22 ILE A 69 5.608 -4.861 -2.571 1.00 1.00 H new ATOM 0 HG23 ILE A 69 4.730 -5.860 -3.753 1.00 1.00 H new ATOM 0 HD11 ILE A 69 6.140 -8.107 -6.553 1.00 1.00 H new ATOM 0 HD12 ILE A 69 4.977 -7.380 -5.419 1.00 1.00 H new ATOM 0 HD13 ILE A 69 5.650 -6.407 -6.748 1.00 1.00 H new ATOM 1107 N GLY A 70 4.921 -2.851 -3.888 1.00 1.00 N ATOM 1108 CA GLY A 70 4.518 -1.763 -2.975 1.00 1.00 C ATOM 1109 C GLY A 70 5.237 -1.847 -1.618 1.00 1.00 C ATOM 1110 O GLY A 70 6.132 -1.070 -1.294 1.00 1.00 O ATOM 0 H GLY A 70 4.194 -3.547 -4.054 1.00 1.00 H new ATOM 0 HA2 GLY A 70 4.735 -0.801 -3.440 1.00 1.00 H new ATOM 0 HA3 GLY A 70 3.440 -1.804 -2.816 1.00 1.00 H new ATOM 1114 N GLY A 71 4.820 -2.820 -0.812 1.00 1.00 N ATOM 1115 CA GLY A 71 5.159 -3.034 0.596 1.00 1.00 C ATOM 1116 C GLY A 71 3.905 -3.398 1.381 1.00 1.00 C ATOM 1117 O GLY A 71 3.082 -4.122 0.852 1.00 1.00 O ATOM 0 H GLY A 71 4.183 -3.540 -1.154 1.00 1.00 H new ATOM 0 HA2 GLY A 71 5.898 -3.830 0.684 1.00 1.00 H new ATOM 0 HA3 GLY A 71 5.610 -2.133 1.012 1.00 1.00 H new ATOM 1121 N TYR A 72 3.702 -2.852 2.581 1.00 1.00 N ATOM 1122 CA TYR A 72 2.599 -3.143 3.531 1.00 1.00 C ATOM 1123 C TYR A 72 1.260 -3.563 2.855 1.00 1.00 C ATOM 1124 O TYR A 72 0.867 -4.720 2.977 1.00 1.00 O ATOM 1125 CB TYR A 72 2.493 -1.883 4.412 1.00 1.00 C ATOM 1126 CG TYR A 72 1.593 -1.856 5.627 1.00 1.00 C ATOM 1127 CD1 TYR A 72 0.991 -3.024 6.151 1.00 1.00 C ATOM 1128 CD2 TYR A 72 1.453 -0.617 6.301 1.00 1.00 C ATOM 1129 CE1 TYR A 72 0.244 -2.950 7.347 1.00 1.00 C ATOM 1130 CE2 TYR A 72 0.674 -0.534 7.474 1.00 1.00 C ATOM 1131 CZ TYR A 72 0.071 -1.702 7.989 1.00 1.00 C ATOM 1132 OH TYR A 72 -0.652 -1.619 9.123 1.00 1.00 O ATOM 0 H TYR A 72 4.340 -2.147 2.950 1.00 1.00 H new ATOM 0 HA TYR A 72 2.819 -4.028 4.128 1.00 1.00 H new ATOM 0 HB2 TYR A 72 3.500 -1.648 4.756 1.00 1.00 H new ATOM 0 HB3 TYR A 72 2.178 -1.065 3.763 1.00 1.00 H new ATOM 0 HD1 TYR A 72 1.102 -3.968 5.639 1.00 1.00 H new ATOM 0 HD2 TYR A 72 1.943 0.265 5.916 1.00 1.00 H new ATOM 0 HE1 TYR A 72 -0.193 -3.843 7.770 1.00 1.00 H new ATOM 0 HE2 TYR A 72 0.540 0.414 7.973 1.00 1.00 H new ATOM 0 HH TYR A 72 -0.583 -2.462 9.618 1.00 1.00 H new ATOM 1142 N THR A 73 0.667 -2.685 2.029 1.00 1.00 N ATOM 1143 CA THR A 73 -0.498 -2.914 1.112 1.00 1.00 C ATOM 1144 C THR A 73 -0.447 -4.219 0.279 1.00 1.00 C ATOM 1145 O THR A 73 -1.351 -5.053 0.344 1.00 1.00 O ATOM 1146 CB THR A 73 -0.713 -1.685 0.182 1.00 1.00 C ATOM 1147 OG1 THR A 73 -1.611 -1.957 -0.871 1.00 1.00 O ATOM 1148 CG2 THR A 73 0.566 -1.103 -0.455 1.00 1.00 C ATOM 0 H THR A 73 1.001 -1.723 1.969 1.00 1.00 H new ATOM 0 HA THR A 73 -1.351 -3.041 1.778 1.00 1.00 H new ATOM 0 HB THR A 73 -1.118 -0.943 0.870 1.00 1.00 H new ATOM 0 HG1 THR A 73 -1.716 -1.157 -1.427 1.00 1.00 H new ATOM 0 HG21 THR A 73 0.305 -0.252 -1.083 1.00 1.00 H new ATOM 0 HG22 THR A 73 1.248 -0.778 0.331 1.00 1.00 H new ATOM 0 HG23 THR A 73 1.050 -1.867 -1.063 1.00 1.00 H new ATOM 1156 N ASP A 74 0.606 -4.357 -0.527 1.00 1.00 N ATOM 1157 CA ASP A 74 0.949 -5.417 -1.488 1.00 1.00 C ATOM 1158 C ASP A 74 1.336 -6.739 -0.770 1.00 1.00 C ATOM 1159 O ASP A 74 0.823 -7.812 -1.082 1.00 1.00 O ATOM 1160 CB ASP A 74 2.178 -4.894 -2.286 1.00 1.00 C ATOM 1161 CG ASP A 74 1.839 -4.084 -3.538 1.00 1.00 C ATOM 1162 OD1 ASP A 74 1.227 -3.015 -3.391 1.00 1.00 O ATOM 1163 OD2 ASP A 74 2.327 -4.391 -4.660 1.00 1.00 O ATOM 0 H ASP A 74 1.332 -3.640 -0.524 1.00 1.00 H new ATOM 0 HA ASP A 74 0.094 -5.635 -2.127 1.00 1.00 H new ATOM 0 HB2 ASP A 74 2.785 -4.276 -1.625 1.00 1.00 H new ATOM 0 HB3 ASP A 74 2.792 -5.746 -2.578 1.00 1.00 H new ATOM 1168 N PHE A 75 2.273 -6.642 0.178 1.00 1.00 N ATOM 1169 CA PHE A 75 2.821 -7.656 1.094 1.00 1.00 C ATOM 1170 C PHE A 75 1.740 -8.385 1.925 1.00 1.00 C ATOM 1171 O PHE A 75 1.745 -9.615 1.976 1.00 1.00 O ATOM 1172 CB PHE A 75 3.896 -6.988 1.990 1.00 1.00 C ATOM 1173 CG PHE A 75 5.067 -7.873 2.387 1.00 1.00 C ATOM 1174 CD1 PHE A 75 6.080 -8.146 1.435 1.00 1.00 C ATOM 1175 CD2 PHE A 75 5.204 -8.345 3.714 1.00 1.00 C ATOM 1176 CE1 PHE A 75 7.232 -8.867 1.811 1.00 1.00 C ATOM 1177 CE2 PHE A 75 6.356 -9.069 4.091 1.00 1.00 C ATOM 1178 CZ PHE A 75 7.370 -9.318 3.140 1.00 1.00 C ATOM 0 H PHE A 75 2.722 -5.741 0.344 1.00 1.00 H new ATOM 0 HA PHE A 75 3.280 -8.443 0.495 1.00 1.00 H new ATOM 0 HB2 PHE A 75 4.286 -6.114 1.468 1.00 1.00 H new ATOM 0 HB3 PHE A 75 3.413 -6.628 2.898 1.00 1.00 H new ATOM 0 HD1 PHE A 75 5.970 -7.801 0.418 1.00 1.00 H new ATOM 0 HD2 PHE A 75 4.427 -8.151 4.439 1.00 1.00 H new ATOM 0 HE1 PHE A 75 8.005 -9.073 1.085 1.00 1.00 H new ATOM 0 HE2 PHE A 75 6.461 -9.431 5.103 1.00 1.00 H new ATOM 0 HZ PHE A 75 8.258 -9.858 3.433 1.00 1.00 H new ATOM 1188 N ALA A 76 0.785 -7.651 2.520 1.00 1.00 N ATOM 1189 CA ALA A 76 -0.419 -8.185 3.179 1.00 1.00 C ATOM 1190 C ALA A 76 -1.277 -9.061 2.224 1.00 1.00 C ATOM 1191 O ALA A 76 -1.531 -10.229 2.526 1.00 1.00 O ATOM 1192 CB ALA A 76 -1.209 -7.019 3.791 1.00 1.00 C ATOM 0 H ALA A 76 0.832 -6.633 2.557 1.00 1.00 H new ATOM 0 HA ALA A 76 -0.118 -8.860 3.981 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -2.103 -7.403 4.282 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -0.587 -6.502 4.522 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -1.498 -6.323 3.004 1.00 1.00 H new ATOM 1198 N ALA A 77 -1.660 -8.533 1.048 1.00 1.00 N ATOM 1199 CA ALA A 77 -2.349 -9.265 -0.030 1.00 1.00 C ATOM 1200 C ALA A 77 -1.587 -10.535 -0.509 1.00 1.00 C ATOM 1201 O ALA A 77 -2.169 -11.615 -0.613 1.00 1.00 O ATOM 1202 CB ALA A 77 -2.590 -8.268 -1.181 1.00 1.00 C ATOM 0 H ALA A 77 -1.493 -7.554 0.814 1.00 1.00 H new ATOM 0 HA ALA A 77 -3.294 -9.652 0.351 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -3.100 -8.775 -2.000 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -3.207 -7.443 -0.825 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -1.634 -7.880 -1.533 1.00 1.00 H new ATOM 1208 N TRP A 78 -0.267 -10.436 -0.701 1.00 1.00 N ATOM 1209 CA TRP A 78 0.673 -11.524 -1.019 1.00 1.00 C ATOM 1210 C TRP A 78 0.683 -12.649 0.035 1.00 1.00 C ATOM 1211 O TRP A 78 0.498 -13.813 -0.325 1.00 1.00 O ATOM 1212 CB TRP A 78 2.055 -10.896 -1.260 1.00 1.00 C ATOM 1213 CG TRP A 78 3.214 -11.805 -1.543 1.00 1.00 C ATOM 1214 CD1 TRP A 78 3.409 -12.507 -2.676 1.00 1.00 C ATOM 1215 CD2 TRP A 78 4.397 -12.040 -0.712 1.00 1.00 C ATOM 1216 NE1 TRP A 78 4.627 -13.164 -2.616 1.00 1.00 N ATOM 1217 CE2 TRP A 78 5.309 -12.865 -1.450 1.00 1.00 C ATOM 1218 CE3 TRP A 78 4.812 -11.610 0.579 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 6.586 -13.201 -0.966 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 6.081 -11.979 1.089 1.00 1.00 C ATOM 1221 CH2 TRP A 78 6.977 -12.745 0.313 1.00 1.00 C ATOM 0 H TRP A 78 0.207 -9.535 -0.635 1.00 1.00 H new ATOM 0 HA TRP A 78 0.347 -12.034 -1.926 1.00 1.00 H new ATOM 0 HB2 TRP A 78 1.964 -10.205 -2.098 1.00 1.00 H new ATOM 0 HB3 TRP A 78 2.307 -10.301 -0.382 1.00 1.00 H new ATOM 0 HD1 TRP A 78 2.720 -12.551 -3.506 1.00 1.00 H new ATOM 0 HE1 TRP A 78 4.977 -13.790 -3.341 1.00 1.00 H new ATOM 0 HE3 TRP A 78 4.153 -10.996 1.176 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 7.258 -13.799 -1.563 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 6.366 -11.670 2.084 1.00 1.00 H new ATOM 0 HH2 TRP A 78 7.959 -12.982 0.696 1.00 1.00 H new ATOM 1232 N VAL A 79 0.869 -12.333 1.329 1.00 1.00 N ATOM 1233 CA VAL A 79 0.714 -13.278 2.477 1.00 1.00 C ATOM 1234 C VAL A 79 -0.675 -13.942 2.494 1.00 1.00 C ATOM 1235 O VAL A 79 -0.749 -15.172 2.533 1.00 1.00 O ATOM 1236 CB VAL A 79 1.037 -12.605 3.839 1.00 1.00 C ATOM 1237 CG1 VAL A 79 0.712 -13.505 5.043 1.00 1.00 C ATOM 1238 CG2 VAL A 79 2.532 -12.245 3.937 1.00 1.00 C ATOM 0 H VAL A 79 1.138 -11.395 1.625 1.00 1.00 H new ATOM 0 HA VAL A 79 1.450 -14.068 2.327 1.00 1.00 H new ATOM 0 HB VAL A 79 0.411 -11.713 3.874 1.00 1.00 H new ATOM 0 HG11 VAL A 79 0.959 -12.981 5.966 1.00 1.00 H new ATOM 0 HG12 VAL A 79 -0.350 -13.750 5.038 1.00 1.00 H new ATOM 0 HG13 VAL A 79 1.297 -14.423 4.980 1.00 1.00 H new ATOM 0 HG21 VAL A 79 2.731 -11.775 4.900 1.00 1.00 H new ATOM 0 HG22 VAL A 79 3.131 -13.151 3.844 1.00 1.00 H new ATOM 0 HG23 VAL A 79 2.793 -11.554 3.136 1.00 1.00 H new ATOM 1248 N LYS A 80 -1.763 -13.154 2.408 1.00 1.00 N ATOM 1249 CA LYS A 80 -3.179 -13.600 2.346 1.00 1.00 C ATOM 1250 C LYS A 80 -3.410 -14.690 1.283 1.00 1.00 C ATOM 1251 O LYS A 80 -3.780 -15.811 1.614 1.00 1.00 O ATOM 1252 CB LYS A 80 -4.100 -12.364 2.166 1.00 1.00 C ATOM 1253 CG LYS A 80 -5.582 -12.652 2.480 1.00 1.00 C ATOM 1254 CD LYS A 80 -6.503 -11.414 2.408 1.00 1.00 C ATOM 1255 CE LYS A 80 -7.149 -11.137 1.039 1.00 1.00 C ATOM 1256 NZ LYS A 80 -6.205 -10.584 0.039 1.00 1.00 N ATOM 0 H LYS A 80 -1.681 -12.138 2.378 1.00 1.00 H new ATOM 0 HA LYS A 80 -3.438 -14.080 3.290 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -3.749 -11.561 2.814 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -4.017 -12.005 1.140 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -5.949 -13.404 1.781 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -5.652 -13.084 3.478 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -7.297 -11.532 3.146 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -5.925 -10.537 2.700 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -7.573 -12.064 0.652 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -7.976 -10.439 1.171 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -6.620 -9.737 -0.399 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -5.312 -10.329 0.508 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -6.019 -11.297 -0.695 1.00 1.00 H new ATOM 1270 N GLU A 81 -3.072 -14.408 0.021 1.00 1.00 N ATOM 1271 CA GLU A 81 -3.076 -15.361 -1.116 1.00 1.00 C ATOM 1272 C GLU A 81 -2.171 -16.621 -0.963 1.00 1.00 C ATOM 1273 O GLU A 81 -2.267 -17.537 -1.789 1.00 1.00 O ATOM 1274 CB GLU A 81 -2.844 -14.625 -2.456 1.00 1.00 C ATOM 1275 CG GLU A 81 -4.121 -14.010 -3.048 1.00 1.00 C ATOM 1276 CD GLU A 81 -4.529 -12.681 -2.386 1.00 1.00 C ATOM 1277 OE1 GLU A 81 -5.179 -12.688 -1.310 1.00 1.00 O ATOM 1278 OE2 GLU A 81 -4.274 -11.623 -3.005 1.00 1.00 O ATOM 0 H GLU A 81 -2.774 -13.473 -0.258 1.00 1.00 H new ATOM 0 HA GLU A 81 -4.080 -15.785 -1.113 1.00 1.00 H new ATOM 0 HB2 GLU A 81 -2.107 -13.836 -2.305 1.00 1.00 H new ATOM 0 HB3 GLU A 81 -2.420 -15.324 -3.176 1.00 1.00 H new ATOM 0 HG2 GLU A 81 -3.974 -13.844 -4.115 1.00 1.00 H new ATOM 0 HG3 GLU A 81 -4.939 -14.723 -2.946 1.00 1.00 H new ATOM 1285 N ASN A 82 -1.275 -16.701 0.033 1.00 1.00 N ATOM 1286 CA ASN A 82 -0.535 -17.923 0.407 1.00 1.00 C ATOM 1287 C ASN A 82 -1.257 -18.699 1.536 1.00 1.00 C ATOM 1288 O ASN A 82 -1.614 -19.862 1.340 1.00 1.00 O ATOM 1289 CB ASN A 82 0.928 -17.575 0.789 1.00 1.00 C ATOM 1290 CG ASN A 82 1.825 -17.269 -0.399 1.00 1.00 C ATOM 1291 OD1 ASN A 82 2.316 -18.129 -1.106 1.00 1.00 O ATOM 1292 ND2 ASN A 82 2.118 -16.025 -0.660 1.00 1.00 N ATOM 0 H ASN A 82 -1.037 -15.899 0.617 1.00 1.00 H new ATOM 0 HA ASN A 82 -0.506 -18.584 -0.459 1.00 1.00 H new ATOM 0 HB2 ASN A 82 0.922 -16.714 1.457 1.00 1.00 H new ATOM 0 HB3 ASN A 82 1.354 -18.409 1.347 1.00 1.00 H new ATOM 0 HD21 ASN A 82 2.741 -15.800 -1.436 1.00 1.00 H new ATOM 0 HD22 ASN A 82 1.725 -15.278 -0.088 1.00 1.00 H new ATOM 1299 N LEU A 83 -1.438 -18.067 2.708 1.00 1.00 N ATOM 1300 CA LEU A 83 -1.939 -18.642 3.977 1.00 1.00 C ATOM 1301 C LEU A 83 -3.483 -18.740 4.067 1.00 1.00 C ATOM 1302 O LEU A 83 -4.029 -19.816 4.275 1.00 1.00 O ATOM 1303 CB LEU A 83 -1.340 -17.826 5.154 1.00 1.00 C ATOM 1304 CG LEU A 83 0.203 -17.631 5.136 1.00 1.00 C ATOM 1305 CD1 LEU A 83 0.699 -16.937 6.409 1.00 1.00 C ATOM 1306 CD2 LEU A 83 0.971 -18.948 4.976 1.00 1.00 C ATOM 0 H LEU A 83 -1.225 -17.074 2.805 1.00 1.00 H new ATOM 0 HA LEU A 83 -1.607 -19.679 4.027 1.00 1.00 H new ATOM 0 HB2 LEU A 83 -1.810 -16.843 5.164 1.00 1.00 H new ATOM 0 HB3 LEU A 83 -1.613 -18.319 6.087 1.00 1.00 H new ATOM 0 HG LEU A 83 0.400 -17.004 4.266 1.00 1.00 H new ATOM 0 HD11 LEU A 83 1.781 -16.818 6.360 1.00 1.00 H new ATOM 0 HD12 LEU A 83 0.230 -15.957 6.496 1.00 1.00 H new ATOM 0 HD13 LEU A 83 0.439 -17.542 7.278 1.00 1.00 H new ATOM 0 HD21 LEU A 83 2.042 -18.746 4.971 1.00 1.00 H new ATOM 0 HD22 LEU A 83 0.731 -19.612 5.806 1.00 1.00 H new ATOM 0 HD23 LEU A 83 0.687 -19.423 4.037 1.00 1.00 H new ATOM 1318 N ASP A 84 -4.182 -17.617 3.885 1.00 1.00 N ATOM 1319 CA ASP A 84 -5.652 -17.429 3.901 1.00 1.00 C ATOM 1320 C ASP A 84 -6.396 -17.760 2.565 1.00 1.00 C ATOM 1321 O ASP A 84 -7.617 -17.572 2.455 1.00 1.00 O ATOM 1322 CB ASP A 84 -5.926 -15.963 4.266 1.00 1.00 C ATOM 1323 CG ASP A 84 -5.379 -15.548 5.634 1.00 1.00 C ATOM 1324 OD1 ASP A 84 -6.083 -15.779 6.647 1.00 1.00 O ATOM 1325 OD2 ASP A 84 -4.321 -14.879 5.722 1.00 1.00 O ATOM 0 H ASP A 84 -3.702 -16.735 3.707 1.00 1.00 H new ATOM 0 HA ASP A 84 -6.043 -18.142 4.627 1.00 1.00 H new ATOM 0 HB2 ASP A 84 -5.488 -15.321 3.501 1.00 1.00 H new ATOM 0 HB3 ASP A 84 -7.002 -15.790 4.249 1.00 1.00 H new ATOM 1330 N ALA A 85 -5.649 -18.272 1.571 1.00 1.00 N ATOM 1331 CA ALA A 85 -5.941 -18.480 0.157 1.00 1.00 C ATOM 1332 C ALA A 85 -7.227 -19.258 -0.225 1.00 1.00 C ATOM 1333 O ALA A 85 -7.400 -20.409 0.204 1.00 1.00 O ATOM 1334 CB ALA A 85 -4.665 -19.114 -0.447 1.00 1.00 C ATOM 1335 OXT ALA A 85 -8.008 -18.722 -1.050 1.00 1.00 O ATOM 0 H ALA A 85 -4.702 -18.589 1.778 1.00 1.00 H new ATOM 0 HA ALA A 85 -6.189 -17.506 -0.265 1.00 1.00 H new ATOM 0 HB1 ALA A 85 -4.818 -19.296 -1.511 1.00 1.00 H new ATOM 0 HB2 ALA A 85 -3.823 -18.435 -0.313 1.00 1.00 H new ATOM 0 HB3 ALA A 85 -4.454 -20.058 0.056 1.00 1.00 H new ATOM 1577 N GLU B 144 -1.641 1.745 1.831 1.00 1.00 N ATOM 1578 CA GLU B 144 -1.086 1.990 0.470 1.00 1.00 C ATOM 1579 C GLU B 144 -0.249 3.273 0.202 1.00 1.00 C ATOM 1580 O GLU B 144 0.320 3.414 -0.890 1.00 1.00 O ATOM 1581 CB GLU B 144 -2.245 1.879 -0.550 1.00 1.00 C ATOM 1582 CG GLU B 144 -3.167 3.114 -0.697 1.00 1.00 C ATOM 1583 CD GLU B 144 -3.629 3.676 0.660 1.00 1.00 C ATOM 1584 OE1 GLU B 144 -4.263 2.925 1.436 1.00 1.00 O ATOM 1585 OE2 GLU B 144 -3.278 4.828 1.013 1.00 1.00 O ATOM 0 HA GLU B 144 -0.323 1.219 0.363 1.00 1.00 H new ATOM 0 HB2 GLU B 144 -1.817 1.656 -1.527 1.00 1.00 H new ATOM 0 HB3 GLU B 144 -2.863 1.025 -0.271 1.00 1.00 H new ATOM 0 HG2 GLU B 144 -2.639 3.893 -1.247 1.00 1.00 H new ATOM 0 HG3 GLU B 144 -4.041 2.842 -1.289 1.00 1.00 H new ATOM 1592 N SER B 145 -0.180 4.197 1.171 1.00 1.00 N ATOM 1593 CA SER B 145 0.465 5.528 1.072 1.00 1.00 C ATOM 1594 C SER B 145 1.296 5.930 2.328 1.00 1.00 C ATOM 1595 O SER B 145 1.624 5.092 3.171 1.00 1.00 O ATOM 1596 CB SER B 145 -0.583 6.580 0.674 1.00 1.00 C ATOM 1597 OG SER B 145 0.082 7.729 0.164 1.00 1.00 O ATOM 0 H SER B 145 -0.590 4.036 2.091 1.00 1.00 H new ATOM 0 HA SER B 145 1.215 5.471 0.283 1.00 1.00 H new ATOM 0 HB2 SER B 145 -1.259 6.172 -0.078 1.00 1.00 H new ATOM 0 HB3 SER B 145 -1.192 6.850 1.537 1.00 1.00 H new ATOM 0 HG SER B 145 -0.581 8.403 -0.093 1.00 1.00 H new ATOM 1603 N GLY B 146 1.694 7.211 2.448 1.00 1.00 N ATOM 1604 CA GLY B 146 2.375 7.825 3.620 1.00 1.00 C ATOM 1605 C GLY B 146 3.255 9.070 3.366 1.00 1.00 C ATOM 1606 O GLY B 146 3.954 9.521 4.272 1.00 1.00 O ATOM 0 H GLY B 146 1.545 7.885 1.697 1.00 1.00 H new ATOM 0 HA2 GLY B 146 1.611 8.097 4.348 1.00 1.00 H new ATOM 0 HA3 GLY B 146 2.999 7.061 4.084 1.00 1.00 H new ATOM 1610 N ALA B 147 3.308 9.567 2.119 1.00 1.00 N ATOM 1611 CA ALA B 147 3.885 10.860 1.664 1.00 1.00 C ATOM 1612 C ALA B 147 5.344 11.217 2.097 1.00 1.00 C ATOM 1613 O ALA B 147 5.768 12.369 2.028 1.00 1.00 O ATOM 1614 CB ALA B 147 2.815 11.938 1.915 1.00 1.00 C ATOM 0 H ALA B 147 2.921 9.041 1.336 1.00 1.00 H new ATOM 0 HA ALA B 147 4.099 10.775 0.599 1.00 1.00 H new ATOM 0 HB1 ALA B 147 3.194 12.909 1.595 1.00 1.00 H new ATOM 0 HB2 ALA B 147 1.915 11.696 1.350 1.00 1.00 H new ATOM 0 HB3 ALA B 147 2.577 11.974 2.978 1.00 1.00 H new ATOM 1620 N CYS B 148 6.118 10.205 2.499 1.00 1.00 N ATOM 1621 CA CYS B 148 7.476 10.247 3.070 1.00 1.00 C ATOM 1622 C CYS B 148 8.588 10.606 2.033 1.00 1.00 C ATOM 1623 O CYS B 148 8.434 10.369 0.828 1.00 1.00 O ATOM 1624 CB CYS B 148 7.667 8.866 3.723 1.00 1.00 C ATOM 1625 SG CYS B 148 8.897 8.674 5.024 1.00 1.00 S ATOM 0 H CYS B 148 5.783 9.244 2.428 1.00 1.00 H new ATOM 0 HA CYS B 148 7.575 11.053 3.797 1.00 1.00 H new ATOM 0 HB2 CYS B 148 6.704 8.561 4.133 1.00 1.00 H new ATOM 0 HB3 CYS B 148 7.914 8.159 2.931 1.00 1.00 H new ATOM 1630 N LYS B 149 9.760 11.077 2.509 1.00 1.00 N ATOM 1631 CA LYS B 149 10.885 11.706 1.740 1.00 1.00 C ATOM 1632 C LYS B 149 12.072 12.101 2.674 1.00 1.00 C ATOM 1633 O LYS B 149 11.971 11.922 3.887 1.00 1.00 O ATOM 1634 CB LYS B 149 10.319 13.033 1.106 1.00 1.00 C ATOM 1635 CG LYS B 149 10.742 13.397 -0.337 1.00 1.00 C ATOM 1636 CD LYS B 149 9.924 12.685 -1.444 1.00 1.00 C ATOM 1637 CE LYS B 149 9.520 13.578 -2.638 1.00 1.00 C ATOM 1638 NZ LYS B 149 10.660 14.134 -3.408 1.00 1.00 N ATOM 0 H LYS B 149 9.972 11.031 3.506 1.00 1.00 H new ATOM 0 HA LYS B 149 11.250 10.997 0.997 1.00 1.00 H new ATOM 0 HB2 LYS B 149 9.231 12.974 1.128 1.00 1.00 H new ATOM 0 HB3 LYS B 149 10.607 13.860 1.755 1.00 1.00 H new ATOM 0 HG2 LYS B 149 10.648 14.475 -0.469 1.00 1.00 H new ATOM 0 HG3 LYS B 149 11.796 13.151 -0.466 1.00 1.00 H new ATOM 0 HD2 LYS B 149 10.506 11.844 -1.820 1.00 1.00 H new ATOM 0 HD3 LYS B 149 9.020 12.272 -0.997 1.00 1.00 H new ATOM 0 HE2 LYS B 149 8.892 12.997 -3.313 1.00 1.00 H new ATOM 0 HE3 LYS B 149 8.912 14.403 -2.268 1.00 1.00 H new ATOM 0 HZ1 LYS B 149 10.363 14.312 -4.388 1.00 1.00 H new ATOM 0 HZ2 LYS B 149 10.971 15.026 -2.973 1.00 1.00 H new ATOM 0 HZ3 LYS B 149 11.447 13.454 -3.403 1.00 1.00 H new ATOM 1652 N ILE B 150 13.198 12.568 2.108 1.00 1.00 N ATOM 1653 CA ILE B 150 14.407 13.242 2.666 1.00 1.00 C ATOM 1654 C ILE B 150 14.134 14.570 3.399 1.00 1.00 C ATOM 1655 O ILE B 150 14.595 14.729 4.551 1.00 1.00 O ATOM 1656 CB ILE B 150 15.482 13.382 1.541 1.00 1.00 C ATOM 1657 CG1 ILE B 150 16.741 14.198 1.942 1.00 1.00 C ATOM 1658 CG2 ILE B 150 14.892 13.993 0.243 1.00 1.00 C ATOM 1659 CD1 ILE B 150 17.582 13.591 3.064 1.00 1.00 C ATOM 1660 OXT ILE B 150 13.417 15.446 2.878 1.00 1.00 O ATOM 0 H ILE B 150 13.306 12.471 1.098 1.00 1.00 H new ATOM 0 HA ILE B 150 14.791 12.601 3.460 1.00 1.00 H new ATOM 0 HB ILE B 150 15.801 12.355 1.366 1.00 1.00 H new ATOM 0 HG12 ILE B 150 17.372 14.318 1.061 1.00 1.00 H new ATOM 0 HG13 ILE B 150 16.425 15.196 2.246 1.00 1.00 H new ATOM 0 HG21 ILE B 150 15.675 14.071 -0.511 1.00 1.00 H new ATOM 0 HG22 ILE B 150 14.092 13.353 -0.130 1.00 1.00 H new ATOM 0 HG23 ILE B 150 14.493 14.985 0.456 1.00 1.00 H new ATOM 0 HD11 ILE B 150 18.436 14.236 3.268 1.00 1.00 H new ATOM 0 HD12 ILE B 150 16.975 13.497 3.964 1.00 1.00 H new ATOM 0 HD13 ILE B 150 17.936 12.606 2.761 1.00 1.00 H new