USER MOD reduce.3.24.130724 H: found=0, std=0, add=1021, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1019 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 143 GLN : amide:sc= 0.188 X(o=0.43,f=0.05) USER MOD Set 1.2: A 144 ASN : amide:sc= 0.238 K(o=0.43,f=-0.087) USER MOD Set 2.1: A 66 LYS NZ :NH3+ 174:sc= 0.053 (180deg=-0.0508) USER MOD Set 2.2: A 163 TYR OH : rot 180:sc= 0.0549 USER MOD Set 3.1: A 40 THR OG1 : rot -140:sc=-0.00126 USER MOD Set 3.2: A 98 TYR OH : rot 180:sc= -0.127 USER MOD Set 4.1: A 37 HIS : no HD1:sc= -0.214 X(o=0.65,f=0.55) USER MOD Set 4.2: A 53 SER OG : rot 78:sc= 0.861 USER MOD Set 5.1: A 33 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00502) USER MOD Set 5.2: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 5.3: A 156 LYS NZ :NH3+ 148:sc= 0.0068 (180deg=0) USER MOD Single : A 14 GLN : amide:sc=-0.000101 X(o=-0.0001,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -130:sc= -0.0667 USER MOD Single : A 38 TYR OH : rot 96:sc= 0.542 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 43 SER OG : rot 106:sc= 0.948 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -163:sc= -0.977 (180deg=-2.13) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot -24:sc= 0.262 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -133:sc= -0.214 (180deg=-3.43!) USER MOD Single : A 87 GLN : amide:sc= -0.295 X(o=-0.3,f=-0.21) USER MOD Single : A 90 CYS SG : rot -120:sc= -1.46 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.46) USER MOD Single : A 103 LYS NZ :NH3+ -132:sc= 0.178 (180deg=-0.104) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 142 GLN : amide:sc= -0.275 X(o=-0.28,f=-0.0056) USER MOD Single : A 146 GLN : amide:sc= 0.0975 K(o=0.098,f=-3!) USER MOD Single : A 151 HIS : no HD1:sc= -0.384 X(o=-0.38,f=-0.023) USER MOD Single : A 152 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 154 MET CE :methyl -131:sc= -0.383 (180deg=-2.79!) USER MOD Single : A 159 SER OG : rot 180:sc= -0.0169 USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N ILE A 5 21.172 -5.077 -11.223 1.00 0.00 N ATOM 43 CA ILE A 5 22.034 -4.097 -10.492 1.00 0.00 C ATOM 44 C ILE A 5 22.900 -3.174 -11.414 1.00 0.00 C ATOM 45 O ILE A 5 22.938 -1.963 -11.183 1.00 0.00 O ATOM 46 CB ILE A 5 22.868 -4.893 -9.416 1.00 0.00 C ATOM 47 CG1 ILE A 5 21.993 -5.590 -8.323 1.00 0.00 C ATOM 48 CG2 ILE A 5 24.015 -4.090 -8.749 1.00 0.00 C ATOM 49 CD1 ILE A 5 21.262 -4.653 -7.349 1.00 0.00 C ATOM 0 HA ILE A 5 21.392 -3.373 -9.990 1.00 0.00 H new ATOM 0 HB ILE A 5 23.338 -5.671 -10.018 1.00 0.00 H new ATOM 0 HG12 ILE A 5 21.251 -6.213 -8.822 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.632 -6.257 -7.744 1.00 0.00 H new ATOM 0 HG21 ILE A 5 24.529 -4.723 -8.025 1.00 0.00 H new ATOM 0 HG22 ILE A 5 24.722 -3.763 -9.512 1.00 0.00 H new ATOM 0 HG23 ILE A 5 23.602 -3.219 -8.241 1.00 0.00 H new ATOM 0 HD11 ILE A 5 20.687 -5.245 -6.637 1.00 0.00 H new ATOM 0 HD12 ILE A 5 21.991 -4.046 -6.812 1.00 0.00 H new ATOM 0 HD13 ILE A 5 20.588 -4.002 -7.907 1.00 0.00 H new ATOM 61 N ALA A 6 23.545 -3.746 -12.449 1.00 0.00 N ATOM 62 CA ALA A 6 24.257 -2.978 -13.496 1.00 0.00 C ATOM 63 C ALA A 6 23.354 -2.057 -14.369 1.00 0.00 C ATOM 64 O ALA A 6 23.700 -0.883 -14.524 1.00 0.00 O ATOM 65 CB ALA A 6 25.044 -3.992 -14.347 1.00 0.00 C ATOM 0 H ALA A 6 23.589 -4.756 -12.585 1.00 0.00 H new ATOM 0 HA ALA A 6 24.923 -2.269 -13.004 1.00 0.00 H new ATOM 0 HB1 ALA A 6 25.585 -3.465 -15.133 1.00 0.00 H new ATOM 0 HB2 ALA A 6 25.753 -4.526 -13.714 1.00 0.00 H new ATOM 0 HB3 ALA A 6 24.352 -4.704 -14.797 1.00 0.00 H new ATOM 71 N ARG A 7 22.207 -2.552 -14.895 1.00 0.00 N ATOM 72 CA ARG A 7 21.230 -1.706 -15.640 1.00 0.00 C ATOM 73 C ARG A 7 20.486 -0.601 -14.817 1.00 0.00 C ATOM 74 O ARG A 7 20.141 0.420 -15.414 1.00 0.00 O ATOM 75 CB ARG A 7 20.297 -2.572 -16.539 1.00 0.00 C ATOM 76 CG ARG A 7 19.054 -3.239 -15.901 1.00 0.00 C ATOM 77 CD ARG A 7 17.751 -2.428 -16.027 1.00 0.00 C ATOM 78 NE ARG A 7 16.621 -3.113 -15.356 1.00 0.00 N ATOM 79 CZ ARG A 7 15.373 -2.614 -15.263 1.00 0.00 C ATOM 80 NH1 ARG A 7 15.000 -1.445 -15.781 1.00 0.00 N ATOM 81 NH2 ARG A 7 14.464 -3.327 -14.621 1.00 0.00 N ATOM 0 H ARG A 7 21.932 -3.531 -14.820 1.00 0.00 H new ATOM 0 HA ARG A 7 21.845 -1.093 -16.298 1.00 0.00 H new ATOM 0 HB2 ARG A 7 19.949 -1.941 -17.357 1.00 0.00 H new ATOM 0 HB3 ARG A 7 20.905 -3.362 -16.981 1.00 0.00 H new ATOM 0 HG2 ARG A 7 18.905 -4.215 -16.364 1.00 0.00 H new ATOM 0 HG3 ARG A 7 19.255 -3.415 -14.844 1.00 0.00 H new ATOM 0 HD2 ARG A 7 17.892 -1.440 -15.589 1.00 0.00 H new ATOM 0 HD3 ARG A 7 17.514 -2.278 -17.080 1.00 0.00 H new ATOM 0 HE ARG A 7 16.800 -4.025 -14.936 1.00 0.00 H new ATOM 0 HH11 ARG A 7 15.677 -0.871 -16.284 1.00 0.00 H new ATOM 0 HH12 ARG A 7 14.038 -1.124 -15.675 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.717 -4.227 -14.213 1.00 0.00 H new ATOM 0 HH22 ARG A 7 13.510 -2.977 -14.533 1.00 0.00 H new ATOM 95 N LEU A 8 20.259 -0.766 -13.490 1.00 0.00 N ATOM 96 CA LEU A 8 19.684 0.301 -12.617 1.00 0.00 C ATOM 97 C LEU A 8 20.564 1.587 -12.506 1.00 0.00 C ATOM 98 O LEU A 8 20.023 2.688 -12.615 1.00 0.00 O ATOM 99 CB LEU A 8 19.337 -0.194 -11.177 1.00 0.00 C ATOM 100 CG LEU A 8 18.325 -1.357 -10.962 1.00 0.00 C ATOM 101 CD1 LEU A 8 17.976 -1.490 -9.467 1.00 0.00 C ATOM 102 CD2 LEU A 8 17.026 -1.264 -11.779 1.00 0.00 C ATOM 0 H LEU A 8 20.466 -1.633 -12.993 1.00 0.00 H new ATOM 0 HA LEU A 8 18.762 0.565 -13.136 1.00 0.00 H new ATOM 0 HB2 LEU A 8 20.273 -0.492 -10.705 1.00 0.00 H new ATOM 0 HB3 LEU A 8 18.960 0.666 -10.624 1.00 0.00 H new ATOM 0 HG LEU A 8 18.842 -2.243 -11.331 1.00 0.00 H new ATOM 0 HD11 LEU A 8 17.267 -2.307 -9.330 1.00 0.00 H new ATOM 0 HD12 LEU A 8 18.883 -1.697 -8.899 1.00 0.00 H new ATOM 0 HD13 LEU A 8 17.531 -0.560 -9.113 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.393 -2.122 -11.555 1.00 0.00 H new ATOM 0 HD22 LEU A 8 16.498 -0.346 -11.520 1.00 0.00 H new ATOM 0 HD23 LEU A 8 17.265 -1.258 -12.843 1.00 0.00 H new ATOM 114 N ARG A 9 21.896 1.461 -12.317 1.00 0.00 N ATOM 115 CA ARG A 9 22.841 2.619 -12.267 1.00 0.00 C ATOM 116 C ARG A 9 22.806 3.520 -13.542 1.00 0.00 C ATOM 117 O ARG A 9 22.583 4.731 -13.443 1.00 0.00 O ATOM 118 CB ARG A 9 24.317 2.224 -11.929 1.00 0.00 C ATOM 119 CG ARG A 9 24.566 0.912 -11.148 1.00 0.00 C ATOM 120 CD ARG A 9 26.036 0.595 -10.818 1.00 0.00 C ATOM 121 NE ARG A 9 26.584 1.401 -9.695 1.00 0.00 N ATOM 122 CZ ARG A 9 27.374 2.485 -9.828 1.00 0.00 C ATOM 123 NH1 ARG A 9 27.754 2.994 -10.998 1.00 0.00 N ATOM 124 NH2 ARG A 9 27.793 3.083 -8.728 1.00 0.00 N ATOM 0 H ARG A 9 22.355 0.558 -12.194 1.00 0.00 H new ATOM 0 HA ARG A 9 22.461 3.210 -11.434 1.00 0.00 H new ATOM 0 HB2 ARG A 9 24.867 2.161 -12.868 1.00 0.00 H new ATOM 0 HB3 ARG A 9 24.756 3.040 -11.356 1.00 0.00 H new ATOM 0 HG2 ARG A 9 24.005 0.956 -10.214 1.00 0.00 H new ATOM 0 HG3 ARG A 9 24.157 0.084 -11.727 1.00 0.00 H new ATOM 0 HD2 ARG A 9 26.124 -0.463 -10.571 1.00 0.00 H new ATOM 0 HD3 ARG A 9 26.644 0.766 -11.707 1.00 0.00 H new ATOM 0 HE ARG A 9 26.343 1.110 -8.748 1.00 0.00 H new ATOM 0 HH11 ARG A 9 27.445 2.560 -11.868 1.00 0.00 H new ATOM 0 HH12 ARG A 9 28.354 3.818 -11.025 1.00 0.00 H new ATOM 0 HH21 ARG A 9 27.517 2.722 -7.815 1.00 0.00 H new ATOM 0 HH22 ARG A 9 28.392 3.906 -8.792 1.00 0.00 H new ATOM 138 N GLU A 10 22.968 2.893 -14.724 1.00 0.00 N ATOM 139 CA GLU A 10 22.741 3.542 -16.046 1.00 0.00 C ATOM 140 C GLU A 10 21.270 3.877 -16.472 1.00 0.00 C ATOM 141 O GLU A 10 21.098 4.485 -17.534 1.00 0.00 O ATOM 142 CB GLU A 10 23.475 2.721 -17.146 1.00 0.00 C ATOM 143 CG GLU A 10 23.005 1.259 -17.335 1.00 0.00 C ATOM 144 CD GLU A 10 23.568 0.591 -18.589 1.00 0.00 C ATOM 145 OE1 GLU A 10 23.002 0.794 -19.686 1.00 0.00 O ATOM 146 OE2 GLU A 10 24.576 -0.142 -18.486 1.00 0.00 O ATOM 0 H GLU A 10 23.261 1.919 -14.797 1.00 0.00 H new ATOM 0 HA GLU A 10 23.160 4.541 -15.924 1.00 0.00 H new ATOM 0 HB2 GLU A 10 23.361 3.243 -18.096 1.00 0.00 H new ATOM 0 HB3 GLU A 10 24.540 2.711 -16.913 1.00 0.00 H new ATOM 0 HG2 GLU A 10 23.297 0.677 -16.461 1.00 0.00 H new ATOM 0 HG3 GLU A 10 21.916 1.240 -17.381 1.00 0.00 H new ATOM 153 N ASP A 11 20.228 3.545 -15.677 1.00 0.00 N ATOM 154 CA ASP A 11 18.829 3.996 -15.950 1.00 0.00 C ATOM 155 C ASP A 11 18.461 5.433 -15.455 1.00 0.00 C ATOM 156 O ASP A 11 17.331 5.860 -15.702 1.00 0.00 O ATOM 157 CB ASP A 11 17.879 2.864 -15.459 1.00 0.00 C ATOM 158 CG ASP A 11 16.397 2.970 -15.853 1.00 0.00 C ATOM 159 OD1 ASP A 11 16.090 2.954 -17.065 1.00 0.00 O ATOM 160 OD2 ASP A 11 15.537 3.065 -14.952 1.00 0.00 O ATOM 0 H ASP A 11 20.321 2.968 -14.841 1.00 0.00 H new ATOM 0 HA ASP A 11 18.710 4.141 -17.024 1.00 0.00 H new ATOM 0 HB2 ASP A 11 18.261 1.915 -15.835 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.937 2.822 -14.371 1.00 0.00 H new ATOM 165 N GLY A 12 19.373 6.190 -14.809 1.00 0.00 N ATOM 166 CA GLY A 12 19.000 7.414 -14.056 1.00 0.00 C ATOM 167 C GLY A 12 18.894 7.237 -12.519 1.00 0.00 C ATOM 168 O GLY A 12 19.316 8.103 -11.751 1.00 0.00 O ATOM 0 H GLY A 12 20.371 5.979 -14.792 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.737 8.189 -14.266 1.00 0.00 H new ATOM 0 HA3 GLY A 12 18.042 7.774 -14.431 1.00 0.00 H new ATOM 172 N ILE A 13 18.314 6.103 -12.103 1.00 0.00 N ATOM 173 CA ILE A 13 18.157 5.671 -10.686 1.00 0.00 C ATOM 174 C ILE A 13 19.494 5.095 -10.096 1.00 0.00 C ATOM 175 O ILE A 13 20.499 4.921 -10.796 1.00 0.00 O ATOM 176 CB ILE A 13 16.943 4.661 -10.623 1.00 0.00 C ATOM 177 CG1 ILE A 13 17.227 3.344 -11.412 1.00 0.00 C ATOM 178 CG2 ILE A 13 15.607 5.326 -11.044 1.00 0.00 C ATOM 179 CD1 ILE A 13 16.076 2.403 -11.757 1.00 0.00 C ATOM 0 H ILE A 13 17.923 5.428 -12.760 1.00 0.00 H new ATOM 0 HA ILE A 13 17.932 6.525 -10.047 1.00 0.00 H new ATOM 0 HB ILE A 13 16.830 4.374 -9.578 1.00 0.00 H new ATOM 0 HG12 ILE A 13 17.710 3.624 -12.348 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.954 2.771 -10.837 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.802 4.594 -10.985 1.00 0.00 H new ATOM 0 HG22 ILE A 13 15.389 6.160 -10.376 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.690 5.693 -12.067 1.00 0.00 H new ATOM 0 HD11 ILE A 13 16.461 1.543 -12.305 1.00 0.00 H new ATOM 0 HD12 ILE A 13 15.596 2.064 -10.839 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.348 2.930 -12.374 1.00 0.00 H new ATOM 191 N GLN A 14 19.479 4.804 -8.785 1.00 0.00 N ATOM 192 CA GLN A 14 20.634 4.203 -8.066 1.00 0.00 C ATOM 193 C GLN A 14 20.084 3.289 -6.939 1.00 0.00 C ATOM 194 O GLN A 14 19.251 3.741 -6.153 1.00 0.00 O ATOM 195 CB GLN A 14 21.531 5.338 -7.489 1.00 0.00 C ATOM 196 CG GLN A 14 22.829 4.889 -6.778 1.00 0.00 C ATOM 197 CD GLN A 14 23.952 4.435 -7.728 1.00 0.00 C ATOM 198 OE1 GLN A 14 24.768 5.236 -8.183 1.00 0.00 O ATOM 199 NE2 GLN A 14 24.022 3.151 -8.048 1.00 0.00 N ATOM 0 H GLN A 14 18.671 4.975 -8.187 1.00 0.00 H new ATOM 0 HA GLN A 14 21.245 3.604 -8.741 1.00 0.00 H new ATOM 0 HB2 GLN A 14 21.802 6.009 -8.305 1.00 0.00 H new ATOM 0 HB3 GLN A 14 20.937 5.918 -6.783 1.00 0.00 H new ATOM 0 HG2 GLN A 14 23.198 5.713 -6.167 1.00 0.00 H new ATOM 0 HG3 GLN A 14 22.592 4.070 -6.099 1.00 0.00 H new ATOM 0 HE21 GLN A 14 23.342 2.493 -7.667 1.00 0.00 H new ATOM 0 HE22 GLN A 14 24.756 2.821 -8.675 1.00 0.00 H new ATOM 208 N LYS A 15 20.580 2.038 -6.826 1.00 0.00 N ATOM 209 CA LYS A 15 20.121 1.074 -5.786 1.00 0.00 C ATOM 210 C LYS A 15 20.881 1.179 -4.428 1.00 0.00 C ATOM 211 O LYS A 15 22.052 1.574 -4.387 1.00 0.00 O ATOM 212 CB LYS A 15 20.175 -0.365 -6.391 1.00 0.00 C ATOM 213 CG LYS A 15 21.567 -1.046 -6.527 1.00 0.00 C ATOM 214 CD LYS A 15 21.978 -1.875 -5.288 1.00 0.00 C ATOM 215 CE LYS A 15 23.474 -2.231 -5.215 1.00 0.00 C ATOM 216 NZ LYS A 15 23.768 -3.064 -4.034 1.00 0.00 N ATOM 0 H LYS A 15 21.302 1.665 -7.442 1.00 0.00 H new ATOM 0 HA LYS A 15 19.095 1.330 -5.521 1.00 0.00 H new ATOM 0 HB2 LYS A 15 19.546 -1.010 -5.777 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.723 -0.328 -7.382 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.559 -1.696 -7.402 1.00 0.00 H new ATOM 0 HG3 LYS A 15 22.321 -0.279 -6.706 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.707 -1.319 -4.390 1.00 0.00 H new ATOM 0 HD3 LYS A 15 21.399 -2.798 -5.278 1.00 0.00 H new ATOM 0 HE2 LYS A 15 23.768 -2.762 -6.120 1.00 0.00 H new ATOM 0 HE3 LYS A 15 24.066 -1.317 -5.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 24.783 -3.288 -4.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 23.508 -2.546 -3.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 23.220 -3.946 -4.086 1.00 0.00 H new ATOM 230 N ARG A 16 20.245 0.683 -3.343 1.00 0.00 N ATOM 231 CA ARG A 16 20.971 0.166 -2.153 1.00 0.00 C ATOM 232 C ARG A 16 20.053 -0.843 -1.403 1.00 0.00 C ATOM 233 O ARG A 16 18.924 -0.511 -1.026 1.00 0.00 O ATOM 234 CB ARG A 16 21.439 1.316 -1.210 1.00 0.00 C ATOM 235 CG ARG A 16 22.332 0.869 -0.031 1.00 0.00 C ATOM 236 CD ARG A 16 22.721 2.025 0.907 1.00 0.00 C ATOM 237 NE ARG A 16 23.547 1.519 2.030 1.00 0.00 N ATOM 238 CZ ARG A 16 23.978 2.269 3.061 1.00 0.00 C ATOM 239 NH1 ARG A 16 23.714 3.568 3.199 1.00 0.00 N ATOM 240 NH2 ARG A 16 24.708 1.682 3.990 1.00 0.00 N ATOM 0 H ARG A 16 19.230 0.628 -3.264 1.00 0.00 H new ATOM 0 HA ARG A 16 21.876 -0.343 -2.486 1.00 0.00 H new ATOM 0 HB2 ARG A 16 21.985 2.051 -1.801 1.00 0.00 H new ATOM 0 HB3 ARG A 16 20.559 1.819 -0.810 1.00 0.00 H new ATOM 0 HG2 ARG A 16 21.809 0.104 0.543 1.00 0.00 H new ATOM 0 HG3 ARG A 16 23.238 0.408 -0.424 1.00 0.00 H new ATOM 0 HD2 ARG A 16 23.274 2.783 0.352 1.00 0.00 H new ATOM 0 HD3 ARG A 16 21.823 2.506 1.295 1.00 0.00 H new ATOM 0 HE ARG A 16 23.807 0.533 2.020 1.00 0.00 H new ATOM 0 HH11 ARG A 16 23.154 4.052 2.497 1.00 0.00 H new ATOM 0 HH12 ARG A 16 24.072 4.078 4.006 1.00 0.00 H new ATOM 0 HH21 ARG A 16 24.929 0.689 3.913 1.00 0.00 H new ATOM 0 HH22 ARG A 16 25.051 2.221 4.785 1.00 0.00 H new ATOM 254 N VAL A 17 20.592 -2.048 -1.126 1.00 0.00 N ATOM 255 CA VAL A 17 19.958 -3.046 -0.216 1.00 0.00 C ATOM 256 C VAL A 17 20.495 -2.877 1.236 1.00 0.00 C ATOM 257 O VAL A 17 21.704 -2.749 1.467 1.00 0.00 O ATOM 258 CB VAL A 17 20.082 -4.498 -0.794 1.00 0.00 C ATOM 259 CG1 VAL A 17 21.511 -5.080 -0.825 1.00 0.00 C ATOM 260 CG2 VAL A 17 19.166 -5.514 -0.077 1.00 0.00 C ATOM 0 H VAL A 17 21.477 -2.364 -1.522 1.00 0.00 H new ATOM 0 HA VAL A 17 18.886 -2.858 -0.158 1.00 0.00 H new ATOM 0 HB VAL A 17 19.760 -4.360 -1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.485 -6.087 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 17 22.148 -4.448 -1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 17 21.911 -5.117 0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.298 -6.500 -0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.427 -5.556 0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.126 -5.204 -0.182 1.00 0.00 H new ATOM 270 N ILE A 18 19.568 -2.933 2.208 1.00 0.00 N ATOM 271 CA ILE A 18 19.895 -2.940 3.658 1.00 0.00 C ATOM 272 C ILE A 18 20.206 -4.413 4.096 1.00 0.00 C ATOM 273 O ILE A 18 21.348 -4.696 4.468 1.00 0.00 O ATOM 274 CB ILE A 18 18.787 -2.233 4.516 1.00 0.00 C ATOM 275 CG1 ILE A 18 18.273 -0.851 3.991 1.00 0.00 C ATOM 276 CG2 ILE A 18 19.254 -2.044 5.985 1.00 0.00 C ATOM 277 CD1 ILE A 18 16.744 -0.769 3.955 1.00 0.00 C ATOM 0 H ILE A 18 18.567 -2.975 2.017 1.00 0.00 H new ATOM 0 HA ILE A 18 20.789 -2.345 3.842 1.00 0.00 H new ATOM 0 HB ILE A 18 17.945 -2.921 4.437 1.00 0.00 H new ATOM 0 HG12 ILE A 18 18.661 -0.057 4.628 1.00 0.00 H new ATOM 0 HG13 ILE A 18 18.667 -0.677 2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.467 -1.552 6.557 1.00 0.00 H new ATOM 0 HG22 ILE A 18 19.469 -3.017 6.427 1.00 0.00 H new ATOM 0 HG23 ILE A 18 20.154 -1.430 6.004 1.00 0.00 H new ATOM 0 HD11 ILE A 18 16.441 0.210 3.583 1.00 0.00 H new ATOM 0 HD12 ILE A 18 16.353 -1.544 3.296 1.00 0.00 H new ATOM 0 HD13 ILE A 18 16.348 -0.914 4.960 1.00 0.00 H new ATOM 289 N GLN A 19 19.204 -5.322 4.046 1.00 0.00 N ATOM 290 CA GLN A 19 19.362 -6.745 4.438 1.00 0.00 C ATOM 291 C GLN A 19 18.979 -7.626 3.224 1.00 0.00 C ATOM 292 O GLN A 19 17.797 -7.743 2.883 1.00 0.00 O ATOM 293 CB GLN A 19 18.476 -7.108 5.660 1.00 0.00 C ATOM 294 CG GLN A 19 18.808 -6.408 7.005 1.00 0.00 C ATOM 295 CD GLN A 19 17.696 -5.496 7.541 1.00 0.00 C ATOM 296 OE1 GLN A 19 17.201 -5.654 8.657 1.00 0.00 O ATOM 297 NE2 GLN A 19 17.287 -4.528 6.742 1.00 0.00 N ATOM 0 H GLN A 19 18.261 -5.090 3.732 1.00 0.00 H new ATOM 0 HA GLN A 19 20.397 -6.919 4.730 1.00 0.00 H new ATOM 0 HB2 GLN A 19 17.440 -6.881 5.407 1.00 0.00 H new ATOM 0 HB3 GLN A 19 18.537 -8.185 5.815 1.00 0.00 H new ATOM 0 HG2 GLN A 19 19.026 -7.171 7.752 1.00 0.00 H new ATOM 0 HG3 GLN A 19 19.715 -5.817 6.878 1.00 0.00 H new ATOM 0 HE21 GLN A 19 17.710 -4.414 5.821 1.00 0.00 H new ATOM 0 HE22 GLN A 19 16.548 -3.894 7.046 1.00 0.00 H new ATOM 306 N GLU A 20 19.977 -8.295 2.618 1.00 0.00 N ATOM 307 CA GLU A 20 19.745 -9.343 1.587 1.00 0.00 C ATOM 308 C GLU A 20 18.994 -10.575 2.178 1.00 0.00 C ATOM 309 O GLU A 20 19.425 -11.167 3.173 1.00 0.00 O ATOM 310 CB GLU A 20 21.088 -9.761 0.937 1.00 0.00 C ATOM 311 CG GLU A 20 21.701 -8.692 0.009 1.00 0.00 C ATOM 312 CD GLU A 20 23.011 -9.140 -0.639 1.00 0.00 C ATOM 313 OE1 GLU A 20 22.966 -9.772 -1.717 1.00 0.00 O ATOM 314 OE2 GLU A 20 24.091 -8.861 -0.075 1.00 0.00 O ATOM 0 H GLU A 20 20.963 -8.132 2.822 1.00 0.00 H new ATOM 0 HA GLU A 20 19.103 -8.921 0.813 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.803 -9.995 1.726 1.00 0.00 H new ATOM 0 HB3 GLU A 20 20.933 -10.676 0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 20 20.983 -8.443 -0.772 1.00 0.00 H new ATOM 0 HG3 GLU A 20 21.878 -7.781 0.581 1.00 0.00 H new ATOM 321 N GLY A 21 17.842 -10.904 1.568 1.00 0.00 N ATOM 322 CA GLY A 21 16.834 -11.799 2.176 1.00 0.00 C ATOM 323 C GLY A 21 17.122 -13.312 2.153 1.00 0.00 C ATOM 324 O GLY A 21 18.212 -13.752 2.530 1.00 0.00 O ATOM 0 H GLY A 21 17.581 -10.560 0.644 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.699 -11.498 3.215 1.00 0.00 H new ATOM 0 HA3 GLY A 21 15.884 -11.629 1.669 1.00 0.00 H new ATOM 328 N ARG A 22 16.095 -14.106 1.796 1.00 0.00 N ATOM 329 CA ARG A 22 16.067 -15.561 2.102 1.00 0.00 C ATOM 330 C ARG A 22 16.534 -16.391 0.873 1.00 0.00 C ATOM 331 O ARG A 22 17.742 -16.590 0.703 1.00 0.00 O ATOM 332 CB ARG A 22 14.710 -15.982 2.755 1.00 0.00 C ATOM 333 CG ARG A 22 14.220 -15.247 4.030 1.00 0.00 C ATOM 334 CD ARG A 22 15.096 -15.371 5.295 1.00 0.00 C ATOM 335 NE ARG A 22 16.214 -14.395 5.302 1.00 0.00 N ATOM 336 CZ ARG A 22 17.215 -14.381 6.202 1.00 0.00 C ATOM 337 NH1 ARG A 22 17.320 -15.241 7.214 1.00 0.00 N ATOM 338 NH2 ARG A 22 18.148 -13.455 6.074 1.00 0.00 N ATOM 0 H ARG A 22 15.272 -13.771 1.296 1.00 0.00 H new ATOM 0 HA ARG A 22 16.799 -15.795 2.875 1.00 0.00 H new ATOM 0 HB2 ARG A 22 13.934 -15.875 1.997 1.00 0.00 H new ATOM 0 HB3 ARG A 22 14.777 -17.043 2.994 1.00 0.00 H new ATOM 0 HG2 ARG A 22 14.118 -14.188 3.792 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.223 -15.617 4.271 1.00 0.00 H new ATOM 0 HD2 ARG A 22 14.477 -15.218 6.179 1.00 0.00 H new ATOM 0 HD3 ARG A 22 15.498 -16.382 5.358 1.00 0.00 H new ATOM 0 HE ARG A 22 16.225 -13.683 4.572 1.00 0.00 H new ATOM 0 HH11 ARG A 22 16.615 -15.967 7.342 1.00 0.00 H new ATOM 0 HH12 ARG A 22 18.106 -15.174 7.861 1.00 0.00 H new ATOM 0 HH21 ARG A 22 18.095 -12.780 5.311 1.00 0.00 H new ATOM 0 HH22 ARG A 22 18.921 -13.415 6.738 1.00 0.00 H new ATOM 393 N PRO A 26 12.476 -14.499 -7.911 1.00 0.00 N ATOM 394 CA PRO A 26 11.659 -15.042 -9.039 1.00 0.00 C ATOM 395 C PRO A 26 11.738 -14.202 -10.360 1.00 0.00 C ATOM 396 O PRO A 26 12.611 -13.343 -10.511 1.00 0.00 O ATOM 397 CB PRO A 26 10.266 -15.146 -8.379 1.00 0.00 C ATOM 398 CG PRO A 26 10.228 -14.050 -7.322 1.00 0.00 C ATOM 399 CD PRO A 26 11.654 -14.021 -6.780 1.00 0.00 C ATOM 0 HA PRO A 26 12.009 -15.998 -9.429 1.00 0.00 H new ATOM 0 HB2 PRO A 26 9.473 -15.009 -9.114 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.118 -16.128 -7.930 1.00 0.00 H new ATOM 0 HG2 PRO A 26 9.943 -13.089 -7.751 1.00 0.00 H new ATOM 0 HG3 PRO A 26 9.506 -14.275 -6.537 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.944 -13.016 -6.473 1.00 0.00 H new ATOM 0 HD3 PRO A 26 11.763 -14.665 -5.907 1.00 0.00 H new ATOM 407 N ASP A 27 10.858 -14.485 -11.340 1.00 0.00 N ATOM 408 CA ASP A 27 10.923 -13.882 -12.709 1.00 0.00 C ATOM 409 C ASP A 27 10.939 -12.323 -12.778 1.00 0.00 C ATOM 410 O ASP A 27 11.816 -11.766 -13.447 1.00 0.00 O ATOM 411 CB ASP A 27 9.791 -14.446 -13.617 1.00 0.00 C ATOM 412 CG ASP A 27 9.937 -15.920 -14.020 1.00 0.00 C ATOM 413 OD1 ASP A 27 9.491 -16.805 -13.258 1.00 0.00 O ATOM 414 OD2 ASP A 27 10.502 -16.196 -15.102 1.00 0.00 O ATOM 0 H ASP A 27 10.081 -15.134 -11.218 1.00 0.00 H new ATOM 0 HA ASP A 27 11.903 -14.184 -13.079 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.839 -14.322 -13.100 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.743 -13.843 -14.524 1.00 0.00 H new ATOM 419 N PHE A 28 9.976 -11.633 -12.128 1.00 0.00 N ATOM 420 CA PHE A 28 9.753 -10.161 -12.278 1.00 0.00 C ATOM 421 C PHE A 28 9.474 -9.686 -13.740 1.00 0.00 C ATOM 422 O PHE A 28 10.098 -8.748 -14.247 1.00 0.00 O ATOM 423 CB PHE A 28 10.827 -9.320 -11.522 1.00 0.00 C ATOM 424 CG PHE A 28 10.743 -9.380 -9.988 1.00 0.00 C ATOM 425 CD1 PHE A 28 9.820 -8.574 -9.313 1.00 0.00 C ATOM 426 CD2 PHE A 28 11.576 -10.231 -9.252 1.00 0.00 C ATOM 427 CE1 PHE A 28 9.707 -8.640 -7.929 1.00 0.00 C ATOM 428 CE2 PHE A 28 11.462 -10.292 -7.868 1.00 0.00 C ATOM 429 CZ PHE A 28 10.528 -9.500 -7.207 1.00 0.00 C ATOM 0 H PHE A 28 9.324 -12.075 -11.480 1.00 0.00 H new ATOM 0 HA PHE A 28 8.807 -9.959 -11.775 1.00 0.00 H new ATOM 0 HB2 PHE A 28 11.815 -9.661 -11.830 1.00 0.00 H new ATOM 0 HB3 PHE A 28 10.737 -8.280 -11.835 1.00 0.00 H new ATOM 0 HD1 PHE A 28 9.191 -7.896 -9.871 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.308 -10.841 -9.760 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.983 -8.025 -7.415 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.100 -10.956 -7.304 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.440 -9.553 -6.132 1.00 0.00 H new ATOM 439 N GLN A 29 8.500 -10.347 -14.394 1.00 0.00 N ATOM 440 CA GLN A 29 8.059 -10.040 -15.778 1.00 0.00 C ATOM 441 C GLN A 29 6.507 -9.854 -15.811 1.00 0.00 C ATOM 442 O GLN A 29 5.888 -9.640 -14.765 1.00 0.00 O ATOM 443 CB GLN A 29 8.606 -11.128 -16.752 1.00 0.00 C ATOM 444 CG GLN A 29 10.144 -11.285 -16.784 1.00 0.00 C ATOM 445 CD GLN A 29 10.642 -12.247 -17.870 1.00 0.00 C ATOM 446 OE1 GLN A 29 11.013 -11.844 -18.972 1.00 0.00 O ATOM 447 NE2 GLN A 29 10.656 -13.535 -17.568 1.00 0.00 N ATOM 0 H GLN A 29 7.987 -11.122 -13.974 1.00 0.00 H new ATOM 0 HA GLN A 29 8.475 -9.093 -16.123 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.167 -12.088 -16.480 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.262 -10.894 -17.759 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.597 -10.306 -16.942 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.485 -11.641 -15.812 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.344 -13.847 -16.648 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.979 -14.216 -18.255 1.00 0.00 H new ATOM 456 N ASP A 30 5.870 -9.876 -17.005 1.00 0.00 N ATOM 457 CA ASP A 30 4.439 -9.487 -17.182 1.00 0.00 C ATOM 458 C ASP A 30 3.424 -10.402 -16.419 1.00 0.00 C ATOM 459 O ASP A 30 3.043 -11.480 -16.883 1.00 0.00 O ATOM 460 CB ASP A 30 4.083 -9.272 -18.680 1.00 0.00 C ATOM 461 CG ASP A 30 4.135 -10.490 -19.620 1.00 0.00 C ATOM 462 OD1 ASP A 30 5.236 -10.835 -20.104 1.00 0.00 O ATOM 463 OD2 ASP A 30 3.075 -11.103 -19.877 1.00 0.00 O ATOM 0 H ASP A 30 6.325 -10.161 -17.872 1.00 0.00 H new ATOM 0 HA ASP A 30 4.329 -8.519 -16.693 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.076 -8.857 -18.727 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.759 -8.515 -19.078 1.00 0.00 H new ATOM 468 N GLY A 31 3.030 -9.934 -15.225 1.00 0.00 N ATOM 469 CA GLY A 31 2.144 -10.672 -14.303 1.00 0.00 C ATOM 470 C GLY A 31 2.837 -11.358 -13.109 1.00 0.00 C ATOM 471 O GLY A 31 2.403 -12.448 -12.730 1.00 0.00 O ATOM 0 H GLY A 31 3.319 -9.024 -14.866 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.397 -9.979 -13.916 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.609 -11.432 -14.873 1.00 0.00 H new ATOM 475 N THR A 32 3.856 -10.733 -12.480 1.00 0.00 N ATOM 476 CA THR A 32 4.447 -11.233 -11.219 1.00 0.00 C ATOM 477 C THR A 32 3.716 -10.459 -10.094 1.00 0.00 C ATOM 478 O THR A 32 3.750 -9.227 -10.023 1.00 0.00 O ATOM 479 CB THR A 32 5.994 -11.053 -11.241 1.00 0.00 C ATOM 480 OG1 THR A 32 6.586 -12.038 -12.080 1.00 0.00 O ATOM 481 CG2 THR A 32 6.681 -11.133 -9.868 1.00 0.00 C ATOM 0 H THR A 32 4.288 -9.877 -12.827 1.00 0.00 H new ATOM 0 HA THR A 32 4.310 -12.303 -11.062 1.00 0.00 H new ATOM 0 HB THR A 32 6.147 -10.041 -11.615 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.320 -12.477 -11.601 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.755 -10.996 -9.990 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.287 -10.352 -9.218 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.488 -12.108 -9.421 1.00 0.00 H new ATOM 489 N LYS A 33 3.080 -11.214 -9.195 1.00 0.00 N ATOM 490 CA LYS A 33 2.416 -10.648 -8.005 1.00 0.00 C ATOM 491 C LYS A 33 3.435 -10.513 -6.842 1.00 0.00 C ATOM 492 O LYS A 33 3.679 -11.458 -6.089 1.00 0.00 O ATOM 493 CB LYS A 33 1.214 -11.583 -7.701 1.00 0.00 C ATOM 494 CG LYS A 33 0.421 -11.346 -6.396 1.00 0.00 C ATOM 495 CD LYS A 33 -0.646 -10.228 -6.404 1.00 0.00 C ATOM 496 CE LYS A 33 -0.149 -8.771 -6.474 1.00 0.00 C ATOM 497 NZ LYS A 33 0.778 -8.417 -5.384 1.00 0.00 N ATOM 0 H LYS A 33 3.008 -12.229 -9.265 1.00 0.00 H new ATOM 0 HA LYS A 33 2.042 -9.636 -8.161 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.515 -11.510 -8.534 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.584 -12.608 -7.685 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.072 -12.280 -6.128 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.136 -11.124 -5.604 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.306 -10.399 -7.254 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.251 -10.334 -5.504 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.348 -8.610 -7.431 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.007 -8.100 -6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.048 -7.416 -5.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.312 -8.573 -4.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.629 -9.012 -5.445 1.00 0.00 H new ATOM 511 N ALA A 34 3.981 -9.297 -6.710 1.00 0.00 N ATOM 512 CA ALA A 34 4.921 -8.933 -5.629 1.00 0.00 C ATOM 513 C ALA A 34 4.176 -8.204 -4.480 1.00 0.00 C ATOM 514 O ALA A 34 3.696 -7.078 -4.635 1.00 0.00 O ATOM 515 CB ALA A 34 6.049 -8.086 -6.247 1.00 0.00 C ATOM 0 H ALA A 34 3.785 -8.529 -7.352 1.00 0.00 H new ATOM 0 HA ALA A 34 5.362 -9.822 -5.178 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.759 -7.803 -5.470 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.562 -8.667 -7.013 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.625 -7.188 -6.696 1.00 0.00 H new ATOM 521 N THR A 35 4.097 -8.885 -3.325 1.00 0.00 N ATOM 522 CA THR A 35 3.475 -8.358 -2.078 1.00 0.00 C ATOM 523 C THR A 35 4.624 -7.908 -1.132 1.00 0.00 C ATOM 524 O THR A 35 5.534 -8.680 -0.804 1.00 0.00 O ATOM 525 CB THR A 35 2.578 -9.457 -1.434 1.00 0.00 C ATOM 526 OG1 THR A 35 1.540 -9.831 -2.336 1.00 0.00 O ATOM 527 CG2 THR A 35 1.909 -9.040 -0.113 1.00 0.00 C ATOM 0 H THR A 35 4.465 -9.830 -3.220 1.00 0.00 H new ATOM 0 HA THR A 35 2.830 -7.503 -2.283 1.00 0.00 H new ATOM 0 HB THR A 35 3.257 -10.282 -1.217 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.982 -10.523 -1.924 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.304 -9.864 0.265 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.676 -8.787 0.619 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.272 -8.172 -0.286 1.00 0.00 H new ATOM 535 N PHE A 36 4.562 -6.636 -0.711 1.00 0.00 N ATOM 536 CA PHE A 36 5.664 -5.973 0.040 1.00 0.00 C ATOM 537 C PHE A 36 5.133 -4.721 0.808 1.00 0.00 C ATOM 538 O PHE A 36 4.024 -4.242 0.570 1.00 0.00 O ATOM 539 CB PHE A 36 6.876 -5.662 -0.897 1.00 0.00 C ATOM 540 CG PHE A 36 6.640 -4.844 -2.173 1.00 0.00 C ATOM 541 CD1 PHE A 36 6.739 -3.454 -2.159 1.00 0.00 C ATOM 542 CD2 PHE A 36 6.335 -5.497 -3.370 1.00 0.00 C ATOM 543 CE1 PHE A 36 6.530 -2.718 -3.320 1.00 0.00 C ATOM 544 CE2 PHE A 36 6.118 -4.763 -4.528 1.00 0.00 C ATOM 545 CZ PHE A 36 6.215 -3.373 -4.502 1.00 0.00 C ATOM 0 H PHE A 36 3.756 -6.032 -0.875 1.00 0.00 H new ATOM 0 HA PHE A 36 6.041 -6.660 0.797 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.624 -5.137 -0.303 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.315 -6.614 -1.193 1.00 0.00 H new ATOM 0 HD1 PHE A 36 6.980 -2.944 -1.238 1.00 0.00 H new ATOM 0 HD2 PHE A 36 6.268 -6.575 -3.394 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.612 -1.641 -3.302 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.874 -5.270 -5.450 1.00 0.00 H new ATOM 0 HZ PHE A 36 6.045 -2.804 -5.404 1.00 0.00 H new ATOM 555 N HIS A 37 5.945 -4.170 1.724 1.00 0.00 N ATOM 556 CA HIS A 37 5.701 -2.832 2.341 1.00 0.00 C ATOM 557 C HIS A 37 6.418 -1.681 1.577 1.00 0.00 C ATOM 558 O HIS A 37 7.320 -1.915 0.778 1.00 0.00 O ATOM 559 CB HIS A 37 6.192 -2.882 3.808 1.00 0.00 C ATOM 560 CG HIS A 37 5.251 -3.587 4.776 1.00 0.00 C ATOM 561 ND1 HIS A 37 4.098 -3.004 5.241 1.00 0.00 N ATOM 562 CD2 HIS A 37 5.459 -4.814 5.429 1.00 0.00 C ATOM 563 CE1 HIS A 37 3.723 -3.928 6.163 1.00 0.00 C ATOM 564 NE2 HIS A 37 4.458 -5.069 6.354 1.00 0.00 N ATOM 0 H HIS A 37 6.790 -4.628 2.065 1.00 0.00 H new ATOM 0 HA HIS A 37 4.633 -2.618 2.291 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.160 -3.383 3.835 1.00 0.00 H new ATOM 0 HB3 HIS A 37 6.352 -1.862 4.157 1.00 0.00 H new ATOM 0 HD2 HIS A 37 6.292 -5.474 5.235 1.00 0.00 H new ATOM 0 HE1 HIS A 37 2.834 -3.762 6.753 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.314 -5.860 6.982 1.00 0.00 H new ATOM 572 N TYR A 38 6.005 -0.428 1.843 1.00 0.00 N ATOM 573 CA TYR A 38 6.538 0.789 1.168 1.00 0.00 C ATOM 574 C TYR A 38 6.575 1.976 2.178 1.00 0.00 C ATOM 575 O TYR A 38 5.666 2.144 2.996 1.00 0.00 O ATOM 576 CB TYR A 38 5.698 1.082 -0.123 1.00 0.00 C ATOM 577 CG TYR A 38 4.393 1.913 -0.019 1.00 0.00 C ATOM 578 CD1 TYR A 38 3.222 1.362 0.509 1.00 0.00 C ATOM 579 CD2 TYR A 38 4.365 3.223 -0.503 1.00 0.00 C ATOM 580 CE1 TYR A 38 2.033 2.088 0.500 1.00 0.00 C ATOM 581 CE2 TYR A 38 3.182 3.958 -0.499 1.00 0.00 C ATOM 582 CZ TYR A 38 2.012 3.381 -0.009 1.00 0.00 C ATOM 583 OH TYR A 38 0.832 4.076 -0.051 1.00 0.00 O ATOM 0 H TYR A 38 5.286 -0.221 2.537 1.00 0.00 H new ATOM 0 HA TYR A 38 7.566 0.633 0.840 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.353 1.592 -0.829 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.438 0.121 -0.567 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.239 0.366 0.927 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.271 3.671 -0.885 1.00 0.00 H new ATOM 0 HE1 TYR A 38 1.127 1.646 0.889 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.171 4.971 -0.874 1.00 0.00 H new ATOM 0 HH TYR A 38 0.763 4.651 0.740 1.00 0.00 H new ATOM 593 N ARG A 39 7.606 2.830 2.069 1.00 0.00 N ATOM 594 CA ARG A 39 7.700 4.083 2.860 1.00 0.00 C ATOM 595 C ARG A 39 8.357 5.157 1.961 1.00 0.00 C ATOM 596 O ARG A 39 9.576 5.187 1.764 1.00 0.00 O ATOM 597 CB ARG A 39 8.475 3.889 4.188 1.00 0.00 C ATOM 598 CG ARG A 39 8.006 4.817 5.337 1.00 0.00 C ATOM 599 CD ARG A 39 9.128 5.641 5.991 1.00 0.00 C ATOM 600 NE ARG A 39 9.999 4.823 6.875 1.00 0.00 N ATOM 601 CZ ARG A 39 11.316 4.606 6.697 1.00 0.00 C ATOM 602 NH1 ARG A 39 12.029 5.106 5.692 1.00 0.00 N ATOM 603 NH2 ARG A 39 11.941 3.849 7.581 1.00 0.00 N ATOM 0 H ARG A 39 8.394 2.680 1.439 1.00 0.00 H new ATOM 0 HA ARG A 39 6.701 4.402 3.158 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.372 2.852 4.508 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.536 4.062 4.006 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.250 5.500 4.950 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.525 4.210 6.104 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.737 6.101 5.212 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.687 6.452 6.571 1.00 0.00 H new ATOM 0 HE ARG A 39 9.561 4.388 7.687 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.580 5.697 4.992 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.025 4.899 5.621 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.426 3.451 8.366 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.939 3.663 7.478 1.00 0.00 H new ATOM 617 N THR A 40 7.511 6.041 1.425 1.00 0.00 N ATOM 618 CA THR A 40 7.936 7.137 0.527 1.00 0.00 C ATOM 619 C THR A 40 8.177 8.411 1.364 1.00 0.00 C ATOM 620 O THR A 40 7.282 8.891 2.065 1.00 0.00 O ATOM 621 CB THR A 40 6.908 7.389 -0.607 1.00 0.00 C ATOM 622 OG1 THR A 40 5.590 7.585 -0.114 1.00 0.00 O ATOM 623 CG2 THR A 40 6.890 6.247 -1.616 1.00 0.00 C ATOM 0 H THR A 40 6.506 6.023 1.598 1.00 0.00 H new ATOM 0 HA THR A 40 8.866 6.848 0.037 1.00 0.00 H new ATOM 0 HB THR A 40 7.236 8.305 -1.099 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.950 7.131 -0.702 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.158 6.461 -2.394 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.878 6.143 -2.066 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.622 5.319 -1.111 1.00 0.00 H new ATOM 631 N LEU A 41 9.401 8.944 1.270 1.00 0.00 N ATOM 632 CA LEU A 41 9.798 10.187 1.962 1.00 0.00 C ATOM 633 C LEU A 41 10.693 11.055 1.037 1.00 0.00 C ATOM 634 O LEU A 41 11.386 10.557 0.145 1.00 0.00 O ATOM 635 CB LEU A 41 10.399 9.848 3.357 1.00 0.00 C ATOM 636 CG LEU A 41 11.847 9.285 3.451 1.00 0.00 C ATOM 637 CD1 LEU A 41 12.489 9.681 4.793 1.00 0.00 C ATOM 638 CD2 LEU A 41 11.893 7.758 3.254 1.00 0.00 C ATOM 0 H LEU A 41 10.148 8.529 0.713 1.00 0.00 H new ATOM 0 HA LEU A 41 8.930 10.813 2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.362 10.756 3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.736 9.125 3.831 1.00 0.00 H new ATOM 0 HG LEU A 41 12.422 9.728 2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 41 13.501 9.280 4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.524 10.767 4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.896 9.276 5.613 1.00 0.00 H new ATOM 0 HD21 LEU A 41 12.924 7.412 3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.292 7.274 4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 41 11.496 7.506 2.271 1.00 0.00 H new ATOM 650 N HIS A 42 10.692 12.374 1.276 1.00 0.00 N ATOM 651 CA HIS A 42 11.452 13.356 0.458 1.00 0.00 C ATOM 652 C HIS A 42 12.981 13.241 0.723 1.00 0.00 C ATOM 653 O HIS A 42 13.418 13.110 1.871 1.00 0.00 O ATOM 654 CB HIS A 42 10.897 14.778 0.755 1.00 0.00 C ATOM 655 CG HIS A 42 9.542 15.054 0.090 1.00 0.00 C ATOM 656 ND1 HIS A 42 8.309 14.729 0.625 1.00 0.00 N ATOM 657 CD2 HIS A 42 9.376 15.551 -1.208 1.00 0.00 C ATOM 658 CE1 HIS A 42 7.493 15.094 -0.407 1.00 0.00 C ATOM 659 NE2 HIS A 42 8.033 15.593 -1.563 1.00 0.00 N ATOM 0 H HIS A 42 10.167 12.800 2.040 1.00 0.00 H new ATOM 0 HA HIS A 42 11.319 13.146 -0.603 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.796 14.903 1.833 1.00 0.00 H new ATOM 0 HB3 HIS A 42 11.619 15.520 0.414 1.00 0.00 H new ATOM 0 HD2 HIS A 42 10.187 15.862 -1.850 1.00 0.00 H new ATOM 0 HE1 HIS A 42 6.422 14.989 -0.312 1.00 0.00 H new ATOM 0 HE2 HIS A 42 7.584 15.902 -2.425 1.00 0.00 H new ATOM 667 N SER A 43 13.777 13.246 -0.365 1.00 0.00 N ATOM 668 CA SER A 43 15.234 12.925 -0.309 1.00 0.00 C ATOM 669 C SER A 43 16.062 13.983 0.483 1.00 0.00 C ATOM 670 O SER A 43 16.590 13.657 1.550 1.00 0.00 O ATOM 671 CB SER A 43 15.811 12.685 -1.729 1.00 0.00 C ATOM 672 OG SER A 43 15.216 11.561 -2.363 1.00 0.00 O ATOM 0 H SER A 43 13.441 13.469 -1.302 1.00 0.00 H new ATOM 0 HA SER A 43 15.326 11.995 0.251 1.00 0.00 H new ATOM 0 HB2 SER A 43 15.650 13.573 -2.340 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.889 12.535 -1.662 1.00 0.00 H new ATOM 0 HG SER A 43 14.594 11.867 -3.056 1.00 0.00 H new ATOM 678 N ASP A 44 16.148 15.229 -0.024 1.00 0.00 N ATOM 679 CA ASP A 44 16.809 16.366 0.682 1.00 0.00 C ATOM 680 C ASP A 44 16.056 17.741 0.566 1.00 0.00 C ATOM 681 O ASP A 44 16.508 18.707 1.189 1.00 0.00 O ATOM 682 CB ASP A 44 18.287 16.443 0.193 1.00 0.00 C ATOM 683 CG ASP A 44 19.236 17.255 1.087 1.00 0.00 C ATOM 684 OD1 ASP A 44 19.586 16.778 2.188 1.00 0.00 O ATOM 685 OD2 ASP A 44 19.630 18.375 0.691 1.00 0.00 O ATOM 0 H ASP A 44 15.764 15.485 -0.934 1.00 0.00 H new ATOM 0 HA ASP A 44 16.776 16.164 1.753 1.00 0.00 H new ATOM 0 HB2 ASP A 44 18.676 15.429 0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 44 18.299 16.876 -0.807 1.00 0.00 H new ATOM 690 N ASP A 45 14.923 17.856 -0.166 1.00 0.00 N ATOM 691 CA ASP A 45 14.158 19.127 -0.309 1.00 0.00 C ATOM 692 C ASP A 45 13.454 19.577 1.009 1.00 0.00 C ATOM 693 O ASP A 45 13.723 20.687 1.480 1.00 0.00 O ATOM 694 CB ASP A 45 13.175 18.991 -1.502 1.00 0.00 C ATOM 695 CG ASP A 45 12.658 20.327 -2.060 1.00 0.00 C ATOM 696 OD1 ASP A 45 11.749 20.928 -1.445 1.00 0.00 O ATOM 697 OD2 ASP A 45 13.153 20.774 -3.116 1.00 0.00 O ATOM 0 H ASP A 45 14.510 17.074 -0.675 1.00 0.00 H new ATOM 0 HA ASP A 45 14.863 19.931 -0.521 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.671 18.445 -2.304 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.322 18.390 -1.187 1.00 0.00 H new ATOM 702 N GLU A 46 12.582 18.725 1.587 1.00 0.00 N ATOM 703 CA GLU A 46 12.010 18.932 2.945 1.00 0.00 C ATOM 704 C GLU A 46 12.536 17.885 3.978 1.00 0.00 C ATOM 705 O GLU A 46 12.648 18.219 5.161 1.00 0.00 O ATOM 706 CB GLU A 46 10.460 18.953 2.834 1.00 0.00 C ATOM 707 CG GLU A 46 9.734 19.538 4.068 1.00 0.00 C ATOM 708 CD GLU A 46 8.214 19.674 3.908 1.00 0.00 C ATOM 709 OE1 GLU A 46 7.750 20.220 2.882 1.00 0.00 O ATOM 710 OE2 GLU A 46 7.474 19.252 4.823 1.00 0.00 O ATOM 0 H GLU A 46 12.252 17.874 1.131 1.00 0.00 H new ATOM 0 HA GLU A 46 12.344 19.894 3.335 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.180 19.533 1.955 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.107 17.935 2.670 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.940 18.903 4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.153 20.520 4.288 1.00 0.00 H new ATOM 717 N GLY A 47 12.806 16.631 3.556 1.00 0.00 N ATOM 718 CA GLY A 47 12.992 15.491 4.477 1.00 0.00 C ATOM 719 C GLY A 47 11.721 14.826 5.074 1.00 0.00 C ATOM 720 O GLY A 47 11.860 13.990 5.970 1.00 0.00 O ATOM 0 H GLY A 47 12.901 16.382 2.571 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.555 14.722 3.948 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.614 15.828 5.306 1.00 0.00 H new ATOM 724 N THR A 48 10.509 15.186 4.600 1.00 0.00 N ATOM 725 CA THR A 48 9.225 14.719 5.193 1.00 0.00 C ATOM 726 C THR A 48 8.774 13.353 4.611 1.00 0.00 C ATOM 727 O THR A 48 8.886 13.110 3.408 1.00 0.00 O ATOM 728 CB THR A 48 8.138 15.823 5.027 1.00 0.00 C ATOM 729 OG1 THR A 48 7.015 15.520 5.849 1.00 0.00 O ATOM 730 CG2 THR A 48 7.628 16.055 3.592 1.00 0.00 C ATOM 0 H THR A 48 10.387 15.806 3.799 1.00 0.00 H new ATOM 0 HA THR A 48 9.378 14.547 6.258 1.00 0.00 H new ATOM 0 HB THR A 48 8.642 16.743 5.323 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.335 16.217 5.743 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.876 16.844 3.596 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.460 16.351 2.953 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.186 15.135 3.210 1.00 0.00 H new ATOM 738 N VAL A 49 8.176 12.510 5.467 1.00 0.00 N ATOM 739 CA VAL A 49 7.512 11.254 5.029 1.00 0.00 C ATOM 740 C VAL A 49 6.075 11.599 4.555 1.00 0.00 C ATOM 741 O VAL A 49 5.208 12.004 5.337 1.00 0.00 O ATOM 742 CB VAL A 49 7.652 10.094 6.063 1.00 0.00 C ATOM 743 CG1 VAL A 49 7.189 10.445 7.493 1.00 0.00 C ATOM 744 CG2 VAL A 49 6.973 8.785 5.605 1.00 0.00 C ATOM 0 H VAL A 49 8.134 12.669 6.474 1.00 0.00 H new ATOM 0 HA VAL A 49 8.026 10.827 4.168 1.00 0.00 H new ATOM 0 HB VAL A 49 8.729 9.934 6.106 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.323 9.579 8.142 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.780 11.278 7.873 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.136 10.726 7.476 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.107 8.019 6.369 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.908 8.962 5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.423 8.449 4.671 1.00 0.00 H new ATOM 754 N LEU A 50 5.876 11.420 3.242 1.00 0.00 N ATOM 755 CA LEU A 50 4.560 11.585 2.587 1.00 0.00 C ATOM 756 C LEU A 50 3.614 10.349 2.719 1.00 0.00 C ATOM 757 O LEU A 50 2.395 10.536 2.779 1.00 0.00 O ATOM 758 CB LEU A 50 4.792 12.029 1.112 1.00 0.00 C ATOM 759 CG LEU A 50 5.347 10.968 0.115 1.00 0.00 C ATOM 760 CD1 LEU A 50 4.288 10.552 -0.913 1.00 0.00 C ATOM 761 CD2 LEU A 50 6.641 11.402 -0.591 1.00 0.00 C ATOM 0 H LEU A 50 6.622 11.156 2.598 1.00 0.00 H new ATOM 0 HA LEU A 50 4.013 12.365 3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.844 12.395 0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.481 12.874 1.120 1.00 0.00 H new ATOM 0 HG LEU A 50 5.603 10.103 0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.711 9.811 -1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.429 10.123 -0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.970 11.426 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.968 10.614 -1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.458 12.315 -1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.417 11.586 0.152 1.00 0.00 H new ATOM 773 N ASP A 51 4.168 9.113 2.734 1.00 0.00 N ATOM 774 CA ASP A 51 3.386 7.863 2.840 1.00 0.00 C ATOM 775 C ASP A 51 4.219 6.787 3.598 1.00 0.00 C ATOM 776 O ASP A 51 5.447 6.722 3.484 1.00 0.00 O ATOM 777 CB ASP A 51 2.927 7.372 1.434 1.00 0.00 C ATOM 778 CG ASP A 51 1.463 6.917 1.388 1.00 0.00 C ATOM 779 OD1 ASP A 51 1.102 5.961 2.108 1.00 0.00 O ATOM 780 OD2 ASP A 51 0.666 7.518 0.634 1.00 0.00 O ATOM 0 H ASP A 51 5.174 8.957 2.673 1.00 0.00 H new ATOM 0 HA ASP A 51 2.479 8.052 3.414 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.071 8.177 0.713 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.565 6.546 1.121 1.00 0.00 H new ATOM 785 N ASP A 52 3.531 5.944 4.385 1.00 0.00 N ATOM 786 CA ASP A 52 4.171 4.969 5.308 1.00 0.00 C ATOM 787 C ASP A 52 3.183 3.798 5.560 1.00 0.00 C ATOM 788 O ASP A 52 2.066 4.011 6.042 1.00 0.00 O ATOM 789 CB ASP A 52 4.676 5.647 6.617 1.00 0.00 C ATOM 790 CG ASP A 52 3.691 6.508 7.436 1.00 0.00 C ATOM 791 OD1 ASP A 52 2.796 5.952 8.108 1.00 0.00 O ATOM 792 OD2 ASP A 52 3.817 7.753 7.400 1.00 0.00 O ATOM 0 H ASP A 52 2.512 5.913 4.405 1.00 0.00 H new ATOM 0 HA ASP A 52 5.070 4.562 4.846 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.051 4.861 7.272 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.526 6.277 6.356 1.00 0.00 H new ATOM 797 N SER A 53 3.608 2.567 5.216 1.00 0.00 N ATOM 798 CA SER A 53 2.755 1.344 5.337 1.00 0.00 C ATOM 799 C SER A 53 3.198 0.334 6.422 1.00 0.00 C ATOM 800 O SER A 53 2.362 -0.103 7.214 1.00 0.00 O ATOM 801 CB SER A 53 2.575 0.656 3.978 1.00 0.00 C ATOM 802 OG SER A 53 3.738 -0.021 3.538 1.00 0.00 O ATOM 0 H SER A 53 4.541 2.381 4.849 1.00 0.00 H new ATOM 0 HA SER A 53 1.790 1.714 5.684 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.751 -0.055 4.044 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.293 1.402 3.235 1.00 0.00 H new ATOM 0 HG SER A 53 3.822 -0.872 4.017 1.00 0.00 H new ATOM 808 N ARG A 54 4.495 -0.029 6.466 1.00 0.00 N ATOM 809 CA ARG A 54 5.119 -0.723 7.621 1.00 0.00 C ATOM 810 C ARG A 54 5.094 0.039 8.980 1.00 0.00 C ATOM 811 O ARG A 54 5.132 -0.605 10.033 1.00 0.00 O ATOM 812 CB ARG A 54 6.570 -1.176 7.268 1.00 0.00 C ATOM 813 CG ARG A 54 7.517 -0.203 6.506 1.00 0.00 C ATOM 814 CD ARG A 54 7.972 1.079 7.229 1.00 0.00 C ATOM 815 NE ARG A 54 8.781 0.814 8.445 1.00 0.00 N ATOM 816 CZ ARG A 54 9.040 1.724 9.404 1.00 0.00 C ATOM 817 NH1 ARG A 54 8.578 2.973 9.393 1.00 0.00 N ATOM 818 NH2 ARG A 54 9.802 1.357 10.417 1.00 0.00 N ATOM 0 H ARG A 54 5.146 0.149 5.701 1.00 0.00 H new ATOM 0 HA ARG A 54 4.478 -1.588 7.792 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.063 -1.446 8.202 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.492 -2.086 6.674 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.409 -0.760 6.222 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.019 0.093 5.583 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.555 1.689 6.539 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.094 1.662 7.506 1.00 0.00 H new ATOM 0 HE ARG A 54 9.168 -0.122 8.563 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.988 3.292 8.624 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.814 3.611 10.153 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.175 0.409 10.457 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.018 2.022 11.160 1.00 0.00 H new ATOM 832 N ALA A 55 4.983 1.383 8.951 1.00 0.00 N ATOM 833 CA ALA A 55 4.631 2.189 10.141 1.00 0.00 C ATOM 834 C ALA A 55 3.219 1.912 10.744 1.00 0.00 C ATOM 835 O ALA A 55 3.065 1.869 11.967 1.00 0.00 O ATOM 836 CB ALA A 55 4.767 3.671 9.763 1.00 0.00 C ATOM 0 H ALA A 55 5.133 1.938 8.109 1.00 0.00 H new ATOM 0 HA ALA A 55 5.321 1.899 10.933 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.513 4.291 10.623 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.793 3.876 9.458 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.091 3.900 8.939 1.00 0.00 H new ATOM 842 N ARG A 56 2.215 1.702 9.870 1.00 0.00 N ATOM 843 CA ARG A 56 0.862 1.214 10.252 1.00 0.00 C ATOM 844 C ARG A 56 0.802 -0.301 10.631 1.00 0.00 C ATOM 845 O ARG A 56 -0.028 -0.674 11.465 1.00 0.00 O ATOM 846 CB ARG A 56 -0.143 1.467 9.087 1.00 0.00 C ATOM 847 CG ARG A 56 -0.217 2.886 8.473 1.00 0.00 C ATOM 848 CD ARG A 56 -0.699 4.021 9.399 1.00 0.00 C ATOM 849 NE ARG A 56 -2.143 3.912 9.723 1.00 0.00 N ATOM 850 CZ ARG A 56 -2.805 4.750 10.544 1.00 0.00 C ATOM 851 NH1 ARG A 56 -2.235 5.775 11.176 1.00 0.00 N ATOM 852 NH2 ARG A 56 -4.094 4.543 10.732 1.00 0.00 N ATOM 0 H ARG A 56 2.315 1.866 8.868 1.00 0.00 H new ATOM 0 HA ARG A 56 0.596 1.777 11.147 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.097 0.770 8.284 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.139 1.208 9.446 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.774 3.148 8.103 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -0.880 2.848 7.609 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.120 4.004 10.322 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.508 4.982 8.921 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.670 3.151 9.295 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.240 5.962 11.051 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.794 6.373 11.785 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.560 3.767 10.262 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.625 5.159 11.348 1.00 0.00 H new ATOM 866 N GLY A 57 1.618 -1.163 9.984 1.00 0.00 N ATOM 867 CA GLY A 57 1.455 -2.632 10.040 1.00 0.00 C ATOM 868 C GLY A 57 0.484 -3.263 9.019 1.00 0.00 C ATOM 869 O GLY A 57 -0.204 -4.224 9.377 1.00 0.00 O ATOM 0 H GLY A 57 2.405 -0.861 9.410 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.435 -3.088 9.903 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.116 -2.898 11.041 1.00 0.00 H new ATOM 873 N LYS A 58 0.447 -2.765 7.767 1.00 0.00 N ATOM 874 CA LYS A 58 -0.403 -3.342 6.692 1.00 0.00 C ATOM 875 C LYS A 58 0.337 -3.243 5.307 1.00 0.00 C ATOM 876 O LYS A 58 0.643 -2.128 4.879 1.00 0.00 O ATOM 877 CB LYS A 58 -1.866 -2.812 6.696 1.00 0.00 C ATOM 878 CG LYS A 58 -2.160 -1.304 6.866 1.00 0.00 C ATOM 879 CD LYS A 58 -1.626 -0.415 5.730 1.00 0.00 C ATOM 880 CE LYS A 58 -2.330 0.948 5.629 1.00 0.00 C ATOM 881 NZ LYS A 58 -1.677 1.814 4.630 1.00 0.00 N ATOM 0 H LYS A 58 0.997 -1.960 7.469 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.539 -4.403 6.899 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.322 -3.123 5.756 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.394 -3.333 7.495 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.238 -1.164 6.943 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.727 -0.967 7.808 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.559 -0.252 5.879 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.739 -0.943 4.783 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.376 0.801 5.358 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.319 1.439 6.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.174 2.727 4.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.686 1.973 4.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.710 1.354 3.698 1.00 0.00 H new ATOM 895 N PRO A 59 0.671 -4.346 4.572 1.00 0.00 N ATOM 896 CA PRO A 59 1.456 -4.275 3.307 1.00 0.00 C ATOM 897 C PRO A 59 0.594 -4.014 2.045 1.00 0.00 C ATOM 898 O PRO A 59 -0.575 -4.402 1.950 1.00 0.00 O ATOM 899 CB PRO A 59 2.167 -5.643 3.268 1.00 0.00 C ATOM 900 CG PRO A 59 1.303 -6.594 4.093 1.00 0.00 C ATOM 901 CD PRO A 59 0.581 -5.714 5.106 1.00 0.00 C ATOM 0 HA PRO A 59 2.143 -3.429 3.297 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.269 -6.000 2.243 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.173 -5.571 3.683 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.593 -7.128 3.461 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.914 -7.346 4.592 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.458 -6.022 5.224 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.047 -5.783 6.089 1.00 0.00 H new ATOM 909 N MET A 60 1.244 -3.371 1.066 1.00 0.00 N ATOM 910 CA MET A 60 0.675 -3.130 -0.284 1.00 0.00 C ATOM 911 C MET A 60 0.862 -4.351 -1.245 1.00 0.00 C ATOM 912 O MET A 60 1.474 -5.372 -0.908 1.00 0.00 O ATOM 913 CB MET A 60 1.261 -1.792 -0.831 1.00 0.00 C ATOM 914 CG MET A 60 2.796 -1.683 -0.916 1.00 0.00 C ATOM 915 SD MET A 60 3.532 -3.027 -1.853 1.00 0.00 S ATOM 916 CE MET A 60 3.166 -2.548 -3.533 1.00 0.00 C ATOM 0 H MET A 60 2.186 -2.998 1.180 1.00 0.00 H new ATOM 0 HA MET A 60 -0.408 -3.026 -0.216 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.854 -1.627 -1.829 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.898 -0.980 -0.200 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.064 -0.733 -1.378 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.213 -1.676 0.091 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.286 -3.409 -4.191 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.140 -2.186 -3.593 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.849 -1.757 -3.843 1.00 0.00 H new ATOM 926 N GLU A 61 0.298 -4.208 -2.456 1.00 0.00 N ATOM 927 CA GLU A 61 0.347 -5.238 -3.520 1.00 0.00 C ATOM 928 C GLU A 61 0.543 -4.550 -4.897 1.00 0.00 C ATOM 929 O GLU A 61 -0.281 -3.742 -5.339 1.00 0.00 O ATOM 930 CB GLU A 61 -0.954 -6.085 -3.514 1.00 0.00 C ATOM 931 CG GLU A 61 -1.011 -7.167 -2.415 1.00 0.00 C ATOM 932 CD GLU A 61 -1.750 -6.767 -1.131 1.00 0.00 C ATOM 933 OE1 GLU A 61 -2.969 -6.491 -1.194 1.00 0.00 O ATOM 934 OE2 GLU A 61 -1.117 -6.735 -0.052 1.00 0.00 O ATOM 0 H GLU A 61 -0.211 -3.368 -2.731 1.00 0.00 H new ATOM 0 HA GLU A 61 1.187 -5.907 -3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.806 -5.417 -3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.063 -6.567 -4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.491 -8.054 -2.828 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.009 -7.448 -2.154 1.00 0.00 H new ATOM 941 N LEU A 62 1.649 -4.920 -5.562 1.00 0.00 N ATOM 942 CA LEU A 62 2.016 -4.437 -6.914 1.00 0.00 C ATOM 943 C LEU A 62 1.987 -5.652 -7.875 1.00 0.00 C ATOM 944 O LEU A 62 2.565 -6.713 -7.617 1.00 0.00 O ATOM 945 CB LEU A 62 3.406 -3.742 -6.859 1.00 0.00 C ATOM 946 CG LEU A 62 4.167 -3.479 -8.191 1.00 0.00 C ATOM 947 CD1 LEU A 62 3.743 -2.175 -8.860 1.00 0.00 C ATOM 948 CD2 LEU A 62 5.678 -3.593 -8.049 1.00 0.00 C ATOM 0 H LEU A 62 2.328 -5.574 -5.174 1.00 0.00 H new ATOM 0 HA LEU A 62 1.311 -3.692 -7.282 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.275 -2.782 -6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.053 -4.347 -6.224 1.00 0.00 H new ATOM 0 HG LEU A 62 3.869 -4.284 -8.864 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.305 -2.041 -9.785 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.677 -2.211 -9.085 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.944 -1.340 -8.189 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.150 -3.399 -9.012 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.031 -2.865 -7.319 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.937 -4.597 -7.714 1.00 0.00 H new ATOM 960 N ILE A 63 1.376 -5.403 -9.038 1.00 0.00 N ATOM 961 CA ILE A 63 1.423 -6.323 -10.203 1.00 0.00 C ATOM 962 C ILE A 63 2.516 -5.741 -11.151 1.00 0.00 C ATOM 963 O ILE A 63 2.530 -4.548 -11.481 1.00 0.00 O ATOM 964 CB ILE A 63 0.016 -6.493 -10.884 1.00 0.00 C ATOM 965 CG1 ILE A 63 -1.058 -7.192 -9.995 1.00 0.00 C ATOM 966 CG2 ILE A 63 0.100 -7.300 -12.209 1.00 0.00 C ATOM 967 CD1 ILE A 63 -1.605 -6.369 -8.823 1.00 0.00 C ATOM 0 H ILE A 63 0.831 -4.558 -9.209 1.00 0.00 H new ATOM 0 HA ILE A 63 1.682 -7.340 -9.908 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.296 -5.464 -11.064 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.895 -7.480 -10.631 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.628 -8.111 -9.597 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.896 -7.392 -12.643 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.755 -6.782 -12.910 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.500 -8.293 -12.005 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.343 -6.958 -8.278 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.788 -6.102 -8.153 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.074 -5.461 -9.203 1.00 0.00 H new ATOM 979 N ILE A 64 3.394 -6.638 -11.622 1.00 0.00 N ATOM 980 CA ILE A 64 4.462 -6.281 -12.603 1.00 0.00 C ATOM 981 C ILE A 64 3.838 -6.188 -14.033 1.00 0.00 C ATOM 982 O ILE A 64 3.696 -7.204 -14.710 1.00 0.00 O ATOM 983 CB ILE A 64 5.705 -7.239 -12.551 1.00 0.00 C ATOM 984 CG1 ILE A 64 6.379 -7.447 -11.165 1.00 0.00 C ATOM 985 CG2 ILE A 64 6.793 -6.861 -13.592 1.00 0.00 C ATOM 986 CD1 ILE A 64 6.981 -6.231 -10.482 1.00 0.00 C ATOM 0 H ILE A 64 3.396 -7.620 -11.347 1.00 0.00 H new ATOM 0 HA ILE A 64 4.861 -5.305 -12.325 1.00 0.00 H new ATOM 0 HB ILE A 64 5.249 -8.197 -12.801 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.636 -7.876 -10.492 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.168 -8.190 -11.284 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.629 -7.555 -13.513 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.371 -6.915 -14.595 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.144 -5.847 -13.400 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.414 -6.527 -9.527 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.758 -5.805 -11.116 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.203 -5.487 -10.312 1.00 0.00 H new ATOM 998 N GLY A 65 3.513 -4.970 -14.499 1.00 0.00 N ATOM 999 CA GLY A 65 3.222 -4.693 -15.930 1.00 0.00 C ATOM 1000 C GLY A 65 2.075 -5.474 -16.604 1.00 0.00 C ATOM 1001 O GLY A 65 2.302 -6.141 -17.617 1.00 0.00 O ATOM 0 H GLY A 65 3.443 -4.146 -13.901 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.002 -3.630 -16.025 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.133 -4.882 -16.498 1.00 0.00 H new ATOM 1005 N LYS A 66 0.864 -5.388 -16.029 1.00 0.00 N ATOM 1006 CA LYS A 66 -0.338 -6.098 -16.543 1.00 0.00 C ATOM 1007 C LYS A 66 -1.609 -5.380 -16.003 1.00 0.00 C ATOM 1008 O LYS A 66 -2.354 -4.804 -16.801 1.00 0.00 O ATOM 1009 CB LYS A 66 -0.280 -7.633 -16.269 1.00 0.00 C ATOM 1010 CG LYS A 66 -1.317 -8.463 -17.060 1.00 0.00 C ATOM 1011 CD LYS A 66 -1.062 -9.983 -17.046 1.00 0.00 C ATOM 1012 CE LYS A 66 -1.364 -10.677 -15.704 1.00 0.00 C ATOM 1013 NZ LYS A 66 -1.009 -12.107 -15.758 1.00 0.00 N ATOM 0 H LYS A 66 0.682 -4.828 -15.196 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.374 -6.041 -17.631 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.719 -7.996 -16.512 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.431 -7.805 -15.203 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.308 -8.270 -16.650 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.327 -8.118 -18.094 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.670 -10.446 -17.823 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.019 -10.165 -17.306 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.806 -10.190 -14.905 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.422 -10.570 -15.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.125 -12.529 -14.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.631 -12.594 -16.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.020 -12.208 -16.063 1.00 0.00 H new ATOM 1027 N LYS A 67 -1.839 -5.394 -14.672 1.00 0.00 N ATOM 1028 CA LYS A 67 -2.905 -4.601 -14.010 1.00 0.00 C ATOM 1029 C LYS A 67 -2.423 -3.185 -13.548 1.00 0.00 C ATOM 1030 O LYS A 67 -3.183 -2.225 -13.704 1.00 0.00 O ATOM 1031 CB LYS A 67 -3.560 -5.385 -12.835 1.00 0.00 C ATOM 1032 CG LYS A 67 -4.421 -6.628 -13.189 1.00 0.00 C ATOM 1033 CD LYS A 67 -3.645 -7.958 -13.340 1.00 0.00 C ATOM 1034 CE LYS A 67 -4.516 -9.216 -13.524 1.00 0.00 C ATOM 1035 NZ LYS A 67 -5.113 -9.319 -14.869 1.00 0.00 N ATOM 0 H LYS A 67 -1.290 -5.957 -14.022 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.668 -4.433 -14.771 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.765 -5.708 -12.163 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.187 -4.690 -12.276 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.178 -6.756 -12.415 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.949 -6.428 -14.121 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.975 -7.873 -14.196 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.020 -8.096 -12.458 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.909 -10.101 -13.335 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.312 -9.211 -12.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.686 -10.185 -14.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.717 -8.491 -15.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.357 -9.354 -15.583 1.00 0.00 H new ATOM 1049 N PHE A 68 -1.207 -3.045 -12.966 1.00 0.00 N ATOM 1050 CA PHE A 68 -0.747 -1.793 -12.313 1.00 0.00 C ATOM 1051 C PHE A 68 -0.266 -0.709 -13.322 1.00 0.00 C ATOM 1052 O PHE A 68 0.264 -0.995 -14.402 1.00 0.00 O ATOM 1053 CB PHE A 68 0.380 -2.137 -11.296 1.00 0.00 C ATOM 1054 CG PHE A 68 0.399 -1.277 -10.019 1.00 0.00 C ATOM 1055 CD1 PHE A 68 -0.303 -1.726 -8.895 1.00 0.00 C ATOM 1056 CD2 PHE A 68 1.222 -0.147 -9.904 1.00 0.00 C ATOM 1057 CE1 PHE A 68 -0.171 -1.073 -7.674 1.00 0.00 C ATOM 1058 CE2 PHE A 68 1.353 0.503 -8.679 1.00 0.00 C ATOM 1059 CZ PHE A 68 0.666 0.030 -7.565 1.00 0.00 C ATOM 0 H PHE A 68 -0.517 -3.796 -12.936 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.604 -1.357 -11.799 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.280 -3.183 -11.008 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.343 -2.035 -11.797 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.952 -2.586 -8.976 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.756 0.220 -10.768 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.719 -1.423 -6.812 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.987 1.373 -8.594 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.784 0.523 -6.611 1.00 0.00 H new ATOM 1069 N LYS A 69 -0.454 0.545 -12.898 1.00 0.00 N ATOM 1070 CA LYS A 69 -0.167 1.755 -13.714 1.00 0.00 C ATOM 1071 C LYS A 69 1.283 2.324 -13.594 1.00 0.00 C ATOM 1072 O LYS A 69 1.796 2.823 -14.598 1.00 0.00 O ATOM 1073 CB LYS A 69 -1.213 2.856 -13.389 1.00 0.00 C ATOM 1074 CG LYS A 69 -2.633 2.629 -13.952 1.00 0.00 C ATOM 1075 CD LYS A 69 -3.570 1.739 -13.108 1.00 0.00 C ATOM 1076 CE LYS A 69 -4.884 1.449 -13.849 1.00 0.00 C ATOM 1077 NZ LYS A 69 -5.863 0.758 -12.992 1.00 0.00 N ATOM 0 H LYS A 69 -0.814 0.763 -11.969 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.244 1.432 -14.752 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.285 2.953 -12.306 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.840 3.807 -13.770 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.109 3.601 -14.081 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.541 2.185 -14.943 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.068 0.800 -12.872 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.786 2.232 -12.160 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.313 2.385 -14.206 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.677 0.838 -14.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.734 0.582 -13.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.465 -0.148 -12.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.081 1.351 -12.166 1.00 0.00 H new ATOM 1091 N LEU A 70 1.907 2.304 -12.397 1.00 0.00 N ATOM 1092 CA LEU A 70 3.179 3.011 -12.099 1.00 0.00 C ATOM 1093 C LEU A 70 4.393 2.045 -12.317 1.00 0.00 C ATOM 1094 O LEU A 70 4.570 1.138 -11.493 1.00 0.00 O ATOM 1095 CB LEU A 70 3.074 3.599 -10.658 1.00 0.00 C ATOM 1096 CG LEU A 70 4.083 4.640 -10.095 1.00 0.00 C ATOM 1097 CD1 LEU A 70 5.136 4.025 -9.164 1.00 0.00 C ATOM 1098 CD2 LEU A 70 4.708 5.573 -11.146 1.00 0.00 C ATOM 0 H LEU A 70 1.539 1.790 -11.596 1.00 0.00 H new ATOM 0 HA LEU A 70 3.352 3.845 -12.779 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.086 4.052 -10.579 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.091 2.750 -9.975 1.00 0.00 H new ATOM 0 HG LEU A 70 3.461 5.290 -9.480 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.807 4.806 -8.807 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.641 3.556 -8.314 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.709 3.275 -9.709 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.397 6.262 -10.657 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.250 4.980 -11.883 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.921 6.139 -11.644 1.00 0.00 H new ATOM 1110 N PRO A 71 5.238 2.180 -13.384 1.00 0.00 N ATOM 1111 CA PRO A 71 6.382 1.261 -13.656 1.00 0.00 C ATOM 1112 C PRO A 71 7.655 1.370 -12.757 1.00 0.00 C ATOM 1113 O PRO A 71 8.470 0.444 -12.765 1.00 0.00 O ATOM 1114 CB PRO A 71 6.711 1.592 -15.128 1.00 0.00 C ATOM 1115 CG PRO A 71 6.348 3.069 -15.291 1.00 0.00 C ATOM 1116 CD PRO A 71 5.107 3.227 -14.414 1.00 0.00 C ATOM 0 HA PRO A 71 6.084 0.236 -13.433 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.765 1.418 -15.346 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.137 0.966 -15.811 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.158 3.720 -14.963 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.140 3.319 -16.331 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.063 4.220 -13.966 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.193 3.099 -14.995 1.00 0.00 H new ATOM 1124 N VAL A 72 7.833 2.481 -12.015 1.00 0.00 N ATOM 1125 CA VAL A 72 9.006 2.691 -11.117 1.00 0.00 C ATOM 1126 C VAL A 72 8.995 1.803 -9.830 1.00 0.00 C ATOM 1127 O VAL A 72 10.063 1.312 -9.467 1.00 0.00 O ATOM 1128 CB VAL A 72 9.311 4.201 -10.890 1.00 0.00 C ATOM 1129 CG1 VAL A 72 8.263 4.999 -10.107 1.00 0.00 C ATOM 1130 CG2 VAL A 72 10.704 4.448 -10.273 1.00 0.00 C ATOM 0 H VAL A 72 7.175 3.261 -12.015 1.00 0.00 H new ATOM 0 HA VAL A 72 9.876 2.311 -11.652 1.00 0.00 H new ATOM 0 HB VAL A 72 9.281 4.586 -11.909 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.589 6.035 -10.015 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.310 4.964 -10.635 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.144 4.567 -9.114 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.858 5.519 -10.139 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.768 3.948 -9.306 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.472 4.051 -10.937 1.00 0.00 H new ATOM 1140 N TRP A 73 7.830 1.532 -9.191 1.00 0.00 N ATOM 1141 CA TRP A 73 7.682 0.431 -8.185 1.00 0.00 C ATOM 1142 C TRP A 73 8.170 -0.969 -8.653 1.00 0.00 C ATOM 1143 O TRP A 73 8.819 -1.665 -7.875 1.00 0.00 O ATOM 1144 CB TRP A 73 6.203 0.390 -7.679 1.00 0.00 C ATOM 1145 CG TRP A 73 5.835 1.421 -6.596 1.00 0.00 C ATOM 1146 CD1 TRP A 73 6.530 2.617 -6.319 1.00 0.00 C ATOM 1147 CD2 TRP A 73 4.772 1.412 -5.706 1.00 0.00 C ATOM 1148 NE1 TRP A 73 5.953 3.331 -5.269 1.00 0.00 N ATOM 1149 CE2 TRP A 73 4.866 2.575 -4.902 1.00 0.00 C ATOM 1150 CE3 TRP A 73 3.690 0.513 -5.530 1.00 0.00 C ATOM 1151 CZ2 TRP A 73 3.895 2.844 -3.916 1.00 0.00 C ATOM 1152 CZ3 TRP A 73 2.729 0.809 -4.556 1.00 0.00 C ATOM 1153 CH2 TRP A 73 2.837 1.951 -3.758 1.00 0.00 C ATOM 0 H TRP A 73 6.971 2.059 -9.350 1.00 0.00 H new ATOM 0 HA TRP A 73 8.357 0.674 -7.364 1.00 0.00 H new ATOM 0 HB2 TRP A 73 5.543 0.538 -8.533 1.00 0.00 H new ATOM 0 HB3 TRP A 73 6.000 -0.607 -7.288 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.408 2.942 -6.858 1.00 0.00 H new ATOM 0 HE1 TRP A 73 6.267 4.214 -4.865 1.00 0.00 H new ATOM 0 HE3 TRP A 73 3.609 -0.379 -6.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 3.970 3.725 -3.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.890 0.143 -4.419 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.087 2.145 -3.005 1.00 0.00 H new ATOM 1164 N GLU A 74 7.895 -1.323 -9.918 1.00 0.00 N ATOM 1165 CA GLU A 74 8.336 -2.599 -10.556 1.00 0.00 C ATOM 1166 C GLU A 74 9.875 -2.734 -10.784 1.00 0.00 C ATOM 1167 O GLU A 74 10.430 -3.806 -10.537 1.00 0.00 O ATOM 1168 CB GLU A 74 7.579 -2.788 -11.908 1.00 0.00 C ATOM 1169 CG GLU A 74 6.042 -2.576 -11.934 1.00 0.00 C ATOM 1170 CD GLU A 74 5.397 -2.515 -13.322 1.00 0.00 C ATOM 1171 OE1 GLU A 74 5.990 -2.990 -14.318 1.00 0.00 O ATOM 1172 OE2 GLU A 74 4.267 -1.984 -13.419 1.00 0.00 O ATOM 0 H GLU A 74 7.352 -0.730 -10.546 1.00 0.00 H new ATOM 0 HA GLU A 74 8.086 -3.386 -9.844 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.020 -2.104 -12.633 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.780 -3.799 -12.261 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.574 -3.385 -11.373 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.814 -1.649 -11.408 1.00 0.00 H new ATOM 1179 N THR A 75 10.543 -1.659 -11.240 1.00 0.00 N ATOM 1180 CA THR A 75 12.027 -1.560 -11.356 1.00 0.00 C ATOM 1181 C THR A 75 12.778 -1.444 -9.982 1.00 0.00 C ATOM 1182 O THR A 75 13.882 -1.985 -9.870 1.00 0.00 O ATOM 1183 CB THR A 75 12.299 -0.381 -12.344 1.00 0.00 C ATOM 1184 OG1 THR A 75 11.731 -0.666 -13.622 1.00 0.00 O ATOM 1185 CG2 THR A 75 13.774 -0.054 -12.592 1.00 0.00 C ATOM 0 H THR A 75 10.065 -0.812 -11.547 1.00 0.00 H new ATOM 0 HA THR A 75 12.444 -2.488 -11.746 1.00 0.00 H new ATOM 0 HB THR A 75 11.845 0.479 -11.851 1.00 0.00 H new ATOM 0 HG1 THR A 75 11.907 0.081 -14.232 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.849 0.778 -13.292 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.249 0.220 -11.650 1.00 0.00 H new ATOM 0 HG23 THR A 75 14.275 -0.927 -13.011 1.00 0.00 H new ATOM 1193 N ILE A 76 12.191 -0.800 -8.945 1.00 0.00 N ATOM 1194 CA ILE A 76 12.676 -0.884 -7.530 1.00 0.00 C ATOM 1195 C ILE A 76 12.678 -2.366 -7.015 1.00 0.00 C ATOM 1196 O ILE A 76 13.724 -2.844 -6.563 1.00 0.00 O ATOM 1197 CB ILE A 76 11.900 0.115 -6.587 1.00 0.00 C ATOM 1198 CG1 ILE A 76 12.083 1.617 -6.974 1.00 0.00 C ATOM 1199 CG2 ILE A 76 12.255 -0.044 -5.080 1.00 0.00 C ATOM 1200 CD1 ILE A 76 10.937 2.528 -6.501 1.00 0.00 C ATOM 0 H ILE A 76 11.369 -0.207 -9.057 1.00 0.00 H new ATOM 0 HA ILE A 76 13.716 -0.558 -7.506 1.00 0.00 H new ATOM 0 HB ILE A 76 10.858 -0.167 -6.740 1.00 0.00 H new ATOM 0 HG12 ILE A 76 13.020 1.979 -6.551 1.00 0.00 H new ATOM 0 HG13 ILE A 76 12.172 1.694 -8.058 1.00 0.00 H new ATOM 0 HG21 ILE A 76 11.683 0.675 -4.494 1.00 0.00 H new ATOM 0 HG22 ILE A 76 12.010 -1.055 -4.753 1.00 0.00 H new ATOM 0 HG23 ILE A 76 13.320 0.136 -4.936 1.00 0.00 H new ATOM 0 HD11 ILE A 76 11.138 3.554 -6.808 1.00 0.00 H new ATOM 0 HD12 ILE A 76 9.999 2.193 -6.945 1.00 0.00 H new ATOM 0 HD13 ILE A 76 10.861 2.483 -5.415 1.00 0.00 H new ATOM 1212 N VAL A 77 11.531 -3.072 -7.088 1.00 0.00 N ATOM 1213 CA VAL A 77 11.424 -4.489 -6.631 1.00 0.00 C ATOM 1214 C VAL A 77 11.995 -5.601 -7.558 1.00 0.00 C ATOM 1215 O VAL A 77 12.133 -6.734 -7.087 1.00 0.00 O ATOM 1216 CB VAL A 77 9.985 -4.848 -6.161 1.00 0.00 C ATOM 1217 CG1 VAL A 77 9.559 -4.023 -4.931 1.00 0.00 C ATOM 1218 CG2 VAL A 77 8.885 -4.946 -7.235 1.00 0.00 C ATOM 0 H VAL A 77 10.660 -2.691 -7.458 1.00 0.00 H new ATOM 0 HA VAL A 77 12.111 -4.495 -5.784 1.00 0.00 H new ATOM 0 HB VAL A 77 10.082 -5.892 -5.862 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.548 -4.305 -4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.245 -4.218 -4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.582 -2.962 -5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.937 -5.203 -6.762 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.788 -3.988 -7.745 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.150 -5.717 -7.958 1.00 0.00 H new ATOM 1228 N CYS A 78 12.365 -5.315 -8.822 1.00 0.00 N ATOM 1229 CA CYS A 78 13.112 -6.282 -9.668 1.00 0.00 C ATOM 1230 C CYS A 78 14.502 -6.755 -9.113 1.00 0.00 C ATOM 1231 O CYS A 78 14.942 -7.848 -9.479 1.00 0.00 O ATOM 1232 CB CYS A 78 13.250 -5.701 -11.091 1.00 0.00 C ATOM 1233 SG CYS A 78 13.912 -6.958 -12.235 1.00 0.00 S ATOM 0 H CYS A 78 12.162 -4.428 -9.283 1.00 0.00 H new ATOM 0 HA CYS A 78 12.517 -7.196 -9.669 1.00 0.00 H new ATOM 0 HB2 CYS A 78 12.279 -5.355 -11.444 1.00 0.00 H new ATOM 0 HB3 CYS A 78 13.910 -4.834 -11.073 1.00 0.00 H new ATOM 0 HG CYS A 78 14.587 -7.843 -11.564 1.00 0.00 H new ATOM 1239 N THR A 79 15.150 -5.969 -8.220 1.00 0.00 N ATOM 1240 CA THR A 79 16.353 -6.398 -7.449 1.00 0.00 C ATOM 1241 C THR A 79 16.022 -6.757 -5.956 1.00 0.00 C ATOM 1242 O THR A 79 16.750 -6.364 -5.037 1.00 0.00 O ATOM 1243 CB THR A 79 17.452 -5.292 -7.548 1.00 0.00 C ATOM 1244 OG1 THR A 79 17.013 -4.062 -6.969 1.00 0.00 O ATOM 1245 CG2 THR A 79 17.927 -5.012 -8.976 1.00 0.00 C ATOM 0 H THR A 79 14.856 -5.015 -8.010 1.00 0.00 H new ATOM 0 HA THR A 79 16.730 -7.319 -7.894 1.00 0.00 H new ATOM 0 HB THR A 79 18.296 -5.697 -6.989 1.00 0.00 H new ATOM 0 HG1 THR A 79 17.724 -3.392 -7.046 1.00 0.00 H new ATOM 0 HG21 THR A 79 18.689 -4.233 -8.960 1.00 0.00 H new ATOM 0 HG22 THR A 79 18.347 -5.922 -9.405 1.00 0.00 H new ATOM 0 HG23 THR A 79 17.083 -4.682 -9.582 1.00 0.00 H new ATOM 1253 N MET A 80 14.931 -7.510 -5.711 1.00 0.00 N ATOM 1254 CA MET A 80 14.442 -7.836 -4.344 1.00 0.00 C ATOM 1255 C MET A 80 13.791 -9.246 -4.368 1.00 0.00 C ATOM 1256 O MET A 80 12.934 -9.532 -5.207 1.00 0.00 O ATOM 1257 CB MET A 80 13.420 -6.789 -3.824 1.00 0.00 C ATOM 1258 CG MET A 80 13.999 -5.409 -3.456 1.00 0.00 C ATOM 1259 SD MET A 80 12.682 -4.303 -2.906 1.00 0.00 S ATOM 1260 CE MET A 80 12.346 -4.915 -1.243 1.00 0.00 C ATOM 0 H MET A 80 14.359 -7.913 -6.453 1.00 0.00 H new ATOM 0 HA MET A 80 15.293 -7.820 -3.663 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.653 -6.648 -4.586 1.00 0.00 H new ATOM 0 HB3 MET A 80 12.924 -7.200 -2.945 1.00 0.00 H new ATOM 0 HG2 MET A 80 14.744 -5.518 -2.668 1.00 0.00 H new ATOM 0 HG3 MET A 80 14.508 -4.979 -4.319 1.00 0.00 H new ATOM 0 HE1 MET A 80 11.270 -5.022 -1.105 1.00 0.00 H new ATOM 0 HE2 MET A 80 12.827 -5.884 -1.108 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.737 -4.210 -0.510 1.00 0.00 H new ATOM 1270 N ARG A 81 14.182 -10.108 -3.415 1.00 0.00 N ATOM 1271 CA ARG A 81 13.612 -11.475 -3.239 1.00 0.00 C ATOM 1272 C ARG A 81 12.677 -11.555 -1.992 1.00 0.00 C ATOM 1273 O ARG A 81 12.490 -10.572 -1.272 1.00 0.00 O ATOM 1274 CB ARG A 81 14.795 -12.485 -3.223 1.00 0.00 C ATOM 1275 CG ARG A 81 15.831 -12.339 -2.086 1.00 0.00 C ATOM 1276 CD ARG A 81 16.992 -13.332 -2.224 1.00 0.00 C ATOM 1277 NE ARG A 81 18.019 -13.051 -1.198 1.00 0.00 N ATOM 1278 CZ ARG A 81 19.201 -13.692 -1.107 1.00 0.00 C ATOM 1279 NH1 ARG A 81 19.588 -14.659 -1.935 1.00 0.00 N ATOM 1280 NH2 ARG A 81 20.031 -13.340 -0.143 1.00 0.00 N ATOM 0 H ARG A 81 14.908 -9.884 -2.734 1.00 0.00 H new ATOM 0 HA ARG A 81 12.958 -11.735 -4.071 1.00 0.00 H new ATOM 0 HB2 ARG A 81 14.380 -13.492 -3.175 1.00 0.00 H new ATOM 0 HB3 ARG A 81 15.322 -12.403 -4.173 1.00 0.00 H new ATOM 0 HG2 ARG A 81 16.224 -11.322 -2.084 1.00 0.00 H new ATOM 0 HG3 ARG A 81 15.337 -12.492 -1.126 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.625 -14.352 -2.113 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.430 -13.257 -3.219 1.00 0.00 H new ATOM 0 HE ARG A 81 17.819 -12.323 -0.513 1.00 0.00 H new ATOM 0 HH11 ARG A 81 18.975 -14.956 -2.695 1.00 0.00 H new ATOM 0 HH12 ARG A 81 20.497 -15.104 -1.810 1.00 0.00 H new ATOM 0 HH21 ARG A 81 19.771 -12.600 0.509 1.00 0.00 H new ATOM 0 HH22 ARG A 81 20.933 -13.808 -0.050 1.00 0.00 H new ATOM 1294 N GLU A 82 12.099 -12.746 -1.727 1.00 0.00 N ATOM 1295 CA GLU A 82 11.194 -12.994 -0.564 1.00 0.00 C ATOM 1296 C GLU A 82 11.943 -12.822 0.788 1.00 0.00 C ATOM 1297 O GLU A 82 12.816 -13.626 1.134 1.00 0.00 O ATOM 1298 CB GLU A 82 10.565 -14.412 -0.663 1.00 0.00 C ATOM 1299 CG GLU A 82 9.584 -14.600 -1.838 1.00 0.00 C ATOM 1300 CD GLU A 82 8.929 -15.980 -1.892 1.00 0.00 C ATOM 1301 OE1 GLU A 82 9.494 -16.894 -2.532 1.00 0.00 O ATOM 1302 OE2 GLU A 82 7.839 -16.156 -1.303 1.00 0.00 O ATOM 0 H GLU A 82 12.242 -13.571 -2.310 1.00 0.00 H new ATOM 0 HA GLU A 82 10.397 -12.251 -0.596 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.367 -15.145 -0.756 1.00 0.00 H new ATOM 0 HB3 GLU A 82 10.041 -14.628 0.268 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.804 -13.842 -1.770 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.117 -14.426 -2.773 1.00 0.00 H new ATOM 1309 N GLY A 83 11.613 -11.735 1.508 1.00 0.00 N ATOM 1310 CA GLY A 83 12.347 -11.344 2.739 1.00 0.00 C ATOM 1311 C GLY A 83 13.511 -10.322 2.621 1.00 0.00 C ATOM 1312 O GLY A 83 14.226 -10.147 3.611 1.00 0.00 O ATOM 0 H GLY A 83 10.846 -11.109 1.265 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.620 -10.937 3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 83 12.749 -12.253 3.187 1.00 0.00 H new ATOM 1316 N GLU A 84 13.707 -9.656 1.464 1.00 0.00 N ATOM 1317 CA GLU A 84 14.800 -8.672 1.244 1.00 0.00 C ATOM 1318 C GLU A 84 14.271 -7.235 1.478 1.00 0.00 C ATOM 1319 O GLU A 84 13.153 -6.899 1.089 1.00 0.00 O ATOM 1320 CB GLU A 84 15.375 -8.881 -0.185 1.00 0.00 C ATOM 1321 CG GLU A 84 16.597 -7.999 -0.534 1.00 0.00 C ATOM 1322 CD GLU A 84 17.477 -8.517 -1.679 1.00 0.00 C ATOM 1323 OE1 GLU A 84 18.045 -9.625 -1.559 1.00 0.00 O ATOM 1324 OE2 GLU A 84 17.642 -7.797 -2.686 1.00 0.00 O ATOM 0 H GLU A 84 13.110 -9.783 0.647 1.00 0.00 H new ATOM 0 HA GLU A 84 15.611 -8.823 1.956 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.658 -9.928 -0.297 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.585 -8.685 -0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.242 -7.002 -0.794 1.00 0.00 H new ATOM 0 HG3 GLU A 84 17.215 -7.895 0.358 1.00 0.00 H new ATOM 1331 N ILE A 85 15.099 -6.398 2.117 1.00 0.00 N ATOM 1332 CA ILE A 85 14.715 -5.020 2.521 1.00 0.00 C ATOM 1333 C ILE A 85 15.725 -4.086 1.807 1.00 0.00 C ATOM 1334 O ILE A 85 16.924 -4.149 2.084 1.00 0.00 O ATOM 1335 CB ILE A 85 14.677 -4.840 4.082 1.00 0.00 C ATOM 1336 CG1 ILE A 85 13.800 -5.885 4.853 1.00 0.00 C ATOM 1337 CG2 ILE A 85 14.156 -3.430 4.447 1.00 0.00 C ATOM 1338 CD1 ILE A 85 14.533 -7.167 5.286 1.00 0.00 C ATOM 0 H ILE A 85 16.054 -6.647 2.373 1.00 0.00 H new ATOM 0 HA ILE A 85 13.695 -4.778 2.221 1.00 0.00 H new ATOM 0 HB ILE A 85 15.709 -4.994 4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 85 13.388 -5.405 5.740 1.00 0.00 H new ATOM 0 HG13 ILE A 85 12.957 -6.164 4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.135 -3.319 5.531 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.816 -2.676 4.018 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.149 -3.300 4.049 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.839 -7.823 5.811 1.00 0.00 H new ATOM 0 HD12 ILE A 85 14.921 -7.679 4.406 1.00 0.00 H new ATOM 0 HD13 ILE A 85 15.359 -6.908 5.949 1.00 0.00 H new ATOM 1350 N ALA A 86 15.222 -3.229 0.901 1.00 0.00 N ATOM 1351 CA ALA A 86 16.060 -2.288 0.116 1.00 0.00 C ATOM 1352 C ALA A 86 15.400 -0.889 0.049 1.00 0.00 C ATOM 1353 O ALA A 86 14.229 -0.758 -0.325 1.00 0.00 O ATOM 1354 CB ALA A 86 16.316 -2.853 -1.298 1.00 0.00 C ATOM 0 H ALA A 86 14.227 -3.164 0.688 1.00 0.00 H new ATOM 0 HA ALA A 86 17.021 -2.176 0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 86 16.932 -2.153 -1.863 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.833 -3.810 -1.220 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.365 -2.995 -1.811 1.00 0.00 H new ATOM 1360 N GLN A 87 16.185 0.149 0.401 1.00 0.00 N ATOM 1361 CA GLN A 87 15.747 1.568 0.339 1.00 0.00 C ATOM 1362 C GLN A 87 16.628 2.361 -0.637 1.00 0.00 C ATOM 1363 O GLN A 87 17.860 2.264 -0.582 1.00 0.00 O ATOM 1364 CB GLN A 87 15.604 2.213 1.732 1.00 0.00 C ATOM 1365 CG GLN A 87 16.870 2.613 2.517 1.00 0.00 C ATOM 1366 CD GLN A 87 17.673 3.854 2.078 1.00 0.00 C ATOM 1367 OE1 GLN A 87 18.900 3.814 2.000 1.00 0.00 O ATOM 1368 NE2 GLN A 87 17.026 4.968 1.768 1.00 0.00 N ATOM 0 H GLN A 87 17.141 0.033 0.737 1.00 0.00 H new ATOM 0 HA GLN A 87 14.735 1.594 -0.065 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.995 3.109 1.616 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.038 1.521 2.356 1.00 0.00 H new ATOM 0 HG2 GLN A 87 16.576 2.764 3.556 1.00 0.00 H new ATOM 0 HG3 GLN A 87 17.549 1.761 2.498 1.00 0.00 H new ATOM 0 HE21 GLN A 87 16.009 5.002 1.832 1.00 0.00 H new ATOM 0 HE22 GLN A 87 17.545 5.792 1.465 1.00 0.00 H new ATOM 1377 N PHE A 88 15.990 3.144 -1.530 1.00 0.00 N ATOM 1378 CA PHE A 88 16.716 3.859 -2.600 1.00 0.00 C ATOM 1379 C PHE A 88 15.857 4.896 -3.373 1.00 0.00 C ATOM 1380 O PHE A 88 14.633 4.776 -3.494 1.00 0.00 O ATOM 1381 CB PHE A 88 17.449 2.891 -3.557 1.00 0.00 C ATOM 1382 CG PHE A 88 16.715 1.793 -4.350 1.00 0.00 C ATOM 1383 CD1 PHE A 88 16.332 2.025 -5.677 1.00 0.00 C ATOM 1384 CD2 PHE A 88 16.691 0.485 -3.849 1.00 0.00 C ATOM 1385 CE1 PHE A 88 15.985 0.958 -6.502 1.00 0.00 C ATOM 1386 CE2 PHE A 88 16.338 -0.577 -4.675 1.00 0.00 C ATOM 1387 CZ PHE A 88 16.007 -0.342 -6.005 1.00 0.00 C ATOM 0 H PHE A 88 14.982 3.297 -1.533 1.00 0.00 H new ATOM 0 HA PHE A 88 17.473 4.446 -2.079 1.00 0.00 H new ATOM 0 HB2 PHE A 88 17.967 3.510 -4.289 1.00 0.00 H new ATOM 0 HB3 PHE A 88 18.215 2.389 -2.966 1.00 0.00 H new ATOM 0 HD1 PHE A 88 16.306 3.034 -6.061 1.00 0.00 H new ATOM 0 HD2 PHE A 88 16.948 0.300 -2.816 1.00 0.00 H new ATOM 0 HE1 PHE A 88 15.699 1.139 -7.527 1.00 0.00 H new ATOM 0 HE2 PHE A 88 16.321 -1.583 -4.284 1.00 0.00 H new ATOM 0 HZ PHE A 88 15.766 -1.171 -6.654 1.00 0.00 H new ATOM 1397 N LEU A 89 16.563 5.903 -3.931 1.00 0.00 N ATOM 1398 CA LEU A 89 15.938 7.024 -4.679 1.00 0.00 C ATOM 1399 C LEU A 89 15.572 6.688 -6.152 1.00 0.00 C ATOM 1400 O LEU A 89 16.157 5.794 -6.775 1.00 0.00 O ATOM 1401 CB LEU A 89 16.759 8.345 -4.538 1.00 0.00 C ATOM 1402 CG LEU A 89 18.270 8.390 -4.919 1.00 0.00 C ATOM 1403 CD1 LEU A 89 18.544 8.267 -6.433 1.00 0.00 C ATOM 1404 CD2 LEU A 89 18.894 9.693 -4.380 1.00 0.00 C ATOM 0 H LEU A 89 17.580 5.965 -3.878 1.00 0.00 H new ATOM 0 HA LEU A 89 14.974 7.193 -4.199 1.00 0.00 H new ATOM 0 HB2 LEU A 89 16.254 9.101 -5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 89 16.681 8.661 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 89 18.730 7.515 -4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 89 19.618 8.307 -6.613 1.00 0.00 H new ATOM 0 HD12 LEU A 89 18.150 7.318 -6.798 1.00 0.00 H new ATOM 0 HD13 LEU A 89 18.057 9.088 -6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 89 19.951 9.727 -4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 89 18.382 10.550 -4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 89 18.791 9.724 -3.295 1.00 0.00 H new ATOM 1416 N CYS A 90 14.610 7.459 -6.700 1.00 0.00 N ATOM 1417 CA CYS A 90 14.311 7.474 -8.149 1.00 0.00 C ATOM 1418 C CYS A 90 14.196 8.931 -8.661 1.00 0.00 C ATOM 1419 O CYS A 90 13.576 9.787 -8.018 1.00 0.00 O ATOM 1420 CB CYS A 90 13.017 6.702 -8.462 1.00 0.00 C ATOM 1421 SG CYS A 90 13.049 5.028 -7.735 1.00 0.00 S ATOM 0 H CYS A 90 14.020 8.087 -6.154 1.00 0.00 H new ATOM 0 HA CYS A 90 15.134 6.978 -8.663 1.00 0.00 H new ATOM 0 HB2 CYS A 90 12.160 7.253 -8.074 1.00 0.00 H new ATOM 0 HB3 CYS A 90 12.887 6.629 -9.542 1.00 0.00 H new ATOM 0 HG CYS A 90 12.937 4.142 -8.680 1.00 0.00 H new ATOM 1427 N ASP A 91 14.748 9.183 -9.865 1.00 0.00 N ATOM 1428 CA ASP A 91 14.647 10.500 -10.547 1.00 0.00 C ATOM 1429 C ASP A 91 13.187 10.813 -11.001 1.00 0.00 C ATOM 1430 O ASP A 91 12.409 9.907 -11.316 1.00 0.00 O ATOM 1431 CB ASP A 91 15.672 10.498 -11.717 1.00 0.00 C ATOM 1432 CG ASP A 91 15.944 11.877 -12.339 1.00 0.00 C ATOM 1433 OD1 ASP A 91 16.744 12.650 -11.766 1.00 0.00 O ATOM 1434 OD2 ASP A 91 15.353 12.194 -13.394 1.00 0.00 O ATOM 0 H ASP A 91 15.274 8.487 -10.394 1.00 0.00 H new ATOM 0 HA ASP A 91 14.893 11.309 -9.859 1.00 0.00 H new ATOM 0 HB2 ASP A 91 16.614 10.086 -11.355 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.310 9.828 -12.497 1.00 0.00 H new ATOM 1439 N ILE A 92 12.839 12.114 -11.030 1.00 0.00 N ATOM 1440 CA ILE A 92 11.503 12.616 -11.471 1.00 0.00 C ATOM 1441 C ILE A 92 10.991 12.192 -12.880 1.00 0.00 C ATOM 1442 O ILE A 92 9.780 12.053 -13.030 1.00 0.00 O ATOM 1443 CB ILE A 92 11.299 14.161 -11.246 1.00 0.00 C ATOM 1444 CG1 ILE A 92 12.582 15.047 -11.218 1.00 0.00 C ATOM 1445 CG2 ILE A 92 10.413 14.392 -10.007 1.00 0.00 C ATOM 1446 CD1 ILE A 92 12.343 16.559 -11.332 1.00 0.00 C ATOM 0 H ILE A 92 13.475 12.860 -10.748 1.00 0.00 H new ATOM 0 HA ILE A 92 10.860 12.066 -10.784 1.00 0.00 H new ATOM 0 HB ILE A 92 10.798 14.511 -12.149 1.00 0.00 H new ATOM 0 HG12 ILE A 92 13.118 14.850 -10.290 1.00 0.00 H new ATOM 0 HG13 ILE A 92 13.234 14.737 -12.034 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.274 15.462 -9.854 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.443 13.918 -10.160 1.00 0.00 H new ATOM 0 HG23 ILE A 92 10.894 13.960 -9.130 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.299 17.082 -11.302 1.00 0.00 H new ATOM 0 HD12 ILE A 92 11.839 16.778 -12.273 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.721 16.893 -10.501 1.00 0.00 H new ATOM 1458 N LYS A 93 11.856 11.934 -13.877 1.00 0.00 N ATOM 1459 CA LYS A 93 11.465 11.196 -15.124 1.00 0.00 C ATOM 1460 C LYS A 93 10.700 9.826 -14.961 1.00 0.00 C ATOM 1461 O LYS A 93 9.905 9.460 -15.831 1.00 0.00 O ATOM 1462 CB LYS A 93 12.716 11.049 -16.039 1.00 0.00 C ATOM 1463 CG LYS A 93 13.788 10.030 -15.572 1.00 0.00 C ATOM 1464 CD LYS A 93 15.159 10.113 -16.269 1.00 0.00 C ATOM 1465 CE LYS A 93 15.162 9.612 -17.726 1.00 0.00 C ATOM 1466 NZ LYS A 93 16.521 9.636 -18.296 1.00 0.00 N ATOM 0 H LYS A 93 12.835 12.220 -13.857 1.00 0.00 H new ATOM 0 HA LYS A 93 10.698 11.820 -15.583 1.00 0.00 H new ATOM 0 HB2 LYS A 93 12.380 10.761 -17.035 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.189 12.026 -16.132 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.941 10.161 -14.501 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.391 9.025 -15.717 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.500 11.148 -16.253 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.881 9.531 -15.696 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.767 8.597 -17.765 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.501 10.235 -18.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 16.492 9.293 -19.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.887 10.609 -18.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.144 9.022 -17.734 1.00 0.00 H new ATOM 1480 N HIS A 94 10.956 9.096 -13.860 1.00 0.00 N ATOM 1481 CA HIS A 94 10.280 7.819 -13.504 1.00 0.00 C ATOM 1482 C HIS A 94 9.076 8.059 -12.539 1.00 0.00 C ATOM 1483 O HIS A 94 8.013 7.468 -12.750 1.00 0.00 O ATOM 1484 CB HIS A 94 11.301 6.816 -12.895 1.00 0.00 C ATOM 1485 CG HIS A 94 12.560 6.515 -13.715 1.00 0.00 C ATOM 1486 ND1 HIS A 94 12.604 5.726 -14.850 1.00 0.00 N ATOM 1487 CD2 HIS A 94 13.821 7.087 -13.480 1.00 0.00 C ATOM 1488 CE1 HIS A 94 13.911 5.912 -15.210 1.00 0.00 C ATOM 1489 NE2 HIS A 94 14.732 6.710 -14.452 1.00 0.00 N ATOM 0 H HIS A 94 11.654 9.378 -13.172 1.00 0.00 H new ATOM 0 HA HIS A 94 9.877 7.383 -14.418 1.00 0.00 H new ATOM 0 HB2 HIS A 94 11.614 7.200 -11.924 1.00 0.00 H new ATOM 0 HB3 HIS A 94 10.783 5.874 -12.714 1.00 0.00 H new ATOM 0 HD2 HIS A 94 14.050 7.737 -12.649 1.00 0.00 H new ATOM 0 HE1 HIS A 94 14.299 5.429 -16.095 1.00 0.00 H new ATOM 0 HE2 HIS A 94 15.716 6.952 -14.570 1.00 0.00 H new ATOM 1497 N VAL A 95 9.230 8.922 -11.503 1.00 0.00 N ATOM 1498 CA VAL A 95 8.125 9.310 -10.567 1.00 0.00 C ATOM 1499 C VAL A 95 7.255 10.537 -11.027 1.00 0.00 C ATOM 1500 O VAL A 95 6.582 11.162 -10.200 1.00 0.00 O ATOM 1501 CB VAL A 95 8.681 9.474 -9.110 1.00 0.00 C ATOM 1502 CG1 VAL A 95 9.342 8.197 -8.572 1.00 0.00 C ATOM 1503 CG2 VAL A 95 9.649 10.652 -8.875 1.00 0.00 C ATOM 0 H VAL A 95 10.119 9.372 -11.287 1.00 0.00 H new ATOM 0 HA VAL A 95 7.414 8.484 -10.583 1.00 0.00 H new ATOM 0 HB VAL A 95 7.769 9.698 -8.557 1.00 0.00 H new ATOM 0 HG11 VAL A 95 9.706 8.374 -7.560 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.612 7.388 -8.558 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.177 7.921 -9.215 1.00 0.00 H new ATOM 0 HG21 VAL A 95 9.964 10.661 -7.832 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.522 10.539 -9.517 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.145 11.590 -9.110 1.00 0.00 H new ATOM 1513 N VAL A 96 7.211 10.843 -12.340 1.00 0.00 N ATOM 1514 CA VAL A 96 6.343 11.905 -12.935 1.00 0.00 C ATOM 1515 C VAL A 96 4.811 11.598 -12.806 1.00 0.00 C ATOM 1516 O VAL A 96 4.035 12.493 -12.463 1.00 0.00 O ATOM 1517 CB VAL A 96 6.872 12.282 -14.380 1.00 0.00 C ATOM 1518 CG1 VAL A 96 5.909 12.103 -15.579 1.00 0.00 C ATOM 1519 CG2 VAL A 96 7.450 13.716 -14.425 1.00 0.00 C ATOM 0 H VAL A 96 7.781 10.359 -13.034 1.00 0.00 H new ATOM 0 HA VAL A 96 6.429 12.818 -12.345 1.00 0.00 H new ATOM 0 HB VAL A 96 7.642 11.524 -14.524 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.413 12.402 -16.498 1.00 0.00 H new ATOM 0 HG12 VAL A 96 5.610 11.057 -15.652 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.025 12.724 -15.432 1.00 0.00 H new ATOM 0 HG21 VAL A 96 7.802 13.935 -15.433 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.674 14.430 -14.148 1.00 0.00 H new ATOM 0 HG23 VAL A 96 8.282 13.795 -13.725 1.00 0.00 H new ATOM 1529 N LEU A 97 4.419 10.338 -13.073 1.00 0.00 N ATOM 1530 CA LEU A 97 3.059 9.809 -12.779 1.00 0.00 C ATOM 1531 C LEU A 97 2.888 9.026 -11.432 1.00 0.00 C ATOM 1532 O LEU A 97 1.852 8.385 -11.242 1.00 0.00 O ATOM 1533 CB LEU A 97 2.575 8.984 -14.009 1.00 0.00 C ATOM 1534 CG LEU A 97 3.383 7.685 -14.335 1.00 0.00 C ATOM 1535 CD1 LEU A 97 2.468 6.464 -14.544 1.00 0.00 C ATOM 1536 CD2 LEU A 97 4.334 7.859 -15.536 1.00 0.00 C ATOM 0 H LEU A 97 5.036 9.648 -13.502 1.00 0.00 H new ATOM 0 HA LEU A 97 2.422 10.678 -12.615 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.533 8.707 -13.846 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.600 9.631 -14.886 1.00 0.00 H new ATOM 0 HG LEU A 97 3.998 7.497 -13.455 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.076 5.588 -14.768 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.890 6.283 -13.638 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.789 6.656 -15.375 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.868 6.926 -15.715 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.757 8.123 -16.422 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.051 8.651 -15.321 1.00 0.00 H new ATOM 1548 N TYR A 98 3.829 9.127 -10.470 1.00 0.00 N ATOM 1549 CA TYR A 98 3.587 8.736 -9.057 1.00 0.00 C ATOM 1550 C TYR A 98 2.487 9.577 -8.318 1.00 0.00 C ATOM 1551 O TYR A 98 1.680 8.908 -7.679 1.00 0.00 O ATOM 1552 CB TYR A 98 4.929 8.702 -8.274 1.00 0.00 C ATOM 1553 CG TYR A 98 4.823 8.185 -6.821 1.00 0.00 C ATOM 1554 CD1 TYR A 98 4.401 6.877 -6.552 1.00 0.00 C ATOM 1555 CD2 TYR A 98 4.975 9.084 -5.761 1.00 0.00 C ATOM 1556 CE1 TYR A 98 4.082 6.495 -5.250 1.00 0.00 C ATOM 1557 CE2 TYR A 98 4.672 8.695 -4.459 1.00 0.00 C ATOM 1558 CZ TYR A 98 4.207 7.406 -4.206 1.00 0.00 C ATOM 1559 OH TYR A 98 3.838 7.044 -2.936 1.00 0.00 O ATOM 0 H TYR A 98 4.771 9.478 -10.644 1.00 0.00 H new ATOM 0 HA TYR A 98 3.166 7.731 -9.088 1.00 0.00 H new ATOM 0 HB2 TYR A 98 5.634 8.073 -8.817 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.348 9.708 -8.256 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.322 6.161 -7.357 1.00 0.00 H new ATOM 0 HD2 TYR A 98 5.329 10.086 -5.953 1.00 0.00 H new ATOM 0 HE1 TYR A 98 3.737 5.491 -5.051 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.797 9.393 -3.644 1.00 0.00 H new ATOM 0 HH TYR A 98 3.989 7.795 -2.325 1.00 0.00 H new ATOM 1569 N PRO A 99 2.356 10.939 -8.332 1.00 0.00 N ATOM 1570 CA PRO A 99 1.144 11.625 -7.795 1.00 0.00 C ATOM 1571 C PRO A 99 -0.205 11.435 -8.570 1.00 0.00 C ATOM 1572 O PRO A 99 -1.244 11.879 -8.082 1.00 0.00 O ATOM 1573 CB PRO A 99 1.593 13.091 -7.783 1.00 0.00 C ATOM 1574 CG PRO A 99 2.600 13.222 -8.933 1.00 0.00 C ATOM 1575 CD PRO A 99 3.252 11.850 -9.063 1.00 0.00 C ATOM 0 HA PRO A 99 0.866 11.198 -6.831 1.00 0.00 H new ATOM 0 HB2 PRO A 99 0.746 13.762 -7.925 1.00 0.00 H new ATOM 0 HB3 PRO A 99 2.051 13.353 -6.829 1.00 0.00 H new ATOM 0 HG2 PRO A 99 2.102 13.509 -9.859 1.00 0.00 H new ATOM 0 HG3 PRO A 99 3.343 13.991 -8.719 1.00 0.00 H new ATOM 0 HD2 PRO A 99 3.349 11.555 -10.108 1.00 0.00 H new ATOM 0 HD3 PRO A 99 4.255 11.846 -8.636 1.00 0.00 H new ATOM 1583 N LEU A 100 -0.201 10.783 -9.746 1.00 0.00 N ATOM 1584 CA LEU A 100 -1.435 10.333 -10.446 1.00 0.00 C ATOM 1585 C LEU A 100 -1.880 8.911 -9.968 1.00 0.00 C ATOM 1586 O LEU A 100 -3.076 8.686 -9.758 1.00 0.00 O ATOM 1587 CB LEU A 100 -1.249 10.405 -11.994 1.00 0.00 C ATOM 1588 CG LEU A 100 -0.571 11.668 -12.611 1.00 0.00 C ATOM 1589 CD1 LEU A 100 -0.541 11.589 -14.149 1.00 0.00 C ATOM 1590 CD2 LEU A 100 -1.162 13.012 -12.145 1.00 0.00 C ATOM 0 H LEU A 100 0.657 10.549 -10.246 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.243 11.015 -10.183 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.666 9.536 -12.297 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.234 10.303 -12.450 1.00 0.00 H new ATOM 0 HG LEU A 100 0.449 11.653 -12.227 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.063 12.483 -14.550 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.021 10.707 -14.457 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.560 11.521 -14.530 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.627 13.831 -12.626 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -2.217 13.059 -12.415 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.060 13.099 -11.063 1.00 0.00 H new ATOM 1602 N VAL A 101 -0.923 7.971 -9.794 1.00 0.00 N ATOM 1603 CA VAL A 101 -1.182 6.573 -9.341 1.00 0.00 C ATOM 1604 C VAL A 101 -1.249 6.422 -7.790 1.00 0.00 C ATOM 1605 O VAL A 101 -2.044 5.607 -7.326 1.00 0.00 O ATOM 1606 CB VAL A 101 -0.169 5.571 -9.984 1.00 0.00 C ATOM 1607 CG1 VAL A 101 -0.457 4.099 -9.581 1.00 0.00 C ATOM 1608 CG2 VAL A 101 -0.125 5.677 -11.525 1.00 0.00 C ATOM 0 H VAL A 101 0.065 8.158 -9.965 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.179 6.318 -9.699 1.00 0.00 H new ATOM 0 HB VAL A 101 0.805 5.859 -9.589 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.274 3.443 -10.053 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.389 3.998 -8.498 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.459 3.821 -9.909 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.595 4.959 -11.919 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.113 5.462 -11.933 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.174 6.685 -11.812 1.00 0.00 H new ATOM 1618 N ALA A 102 -0.468 7.171 -6.991 1.00 0.00 N ATOM 1619 CA ALA A 102 -0.781 7.415 -5.550 1.00 0.00 C ATOM 1620 C ALA A 102 -2.208 7.954 -5.236 1.00 0.00 C ATOM 1621 O ALA A 102 -2.786 7.580 -4.212 1.00 0.00 O ATOM 1622 CB ALA A 102 0.247 8.386 -4.945 1.00 0.00 C ATOM 0 H ALA A 102 0.389 7.624 -7.309 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.734 6.423 -5.100 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.011 8.558 -3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.245 7.956 -5.027 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.214 9.333 -5.484 1.00 0.00 H new ATOM 1628 N LYS A 103 -2.779 8.777 -6.142 1.00 0.00 N ATOM 1629 CA LYS A 103 -4.224 9.127 -6.135 1.00 0.00 C ATOM 1630 C LYS A 103 -5.193 8.031 -6.732 1.00 0.00 C ATOM 1631 O LYS A 103 -6.333 8.345 -7.090 1.00 0.00 O ATOM 1632 CB LYS A 103 -4.340 10.501 -6.866 1.00 0.00 C ATOM 1633 CG LYS A 103 -4.082 11.776 -6.028 1.00 0.00 C ATOM 1634 CD LYS A 103 -2.758 11.872 -5.233 1.00 0.00 C ATOM 1635 CE LYS A 103 -2.343 13.288 -4.787 1.00 0.00 C ATOM 1636 NZ LYS A 103 -1.840 14.119 -5.894 1.00 0.00 N ATOM 0 H LYS A 103 -2.256 9.219 -6.899 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.569 9.186 -5.103 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -3.639 10.499 -7.701 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -5.341 10.574 -7.290 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.129 12.632 -6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -4.904 11.881 -5.320 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -2.842 11.243 -4.347 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -1.958 11.455 -5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -3.199 13.783 -4.329 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -1.572 13.210 -4.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -0.949 14.573 -5.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -1.673 13.521 -6.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -2.542 14.850 -6.126 1.00 0.00 H new ATOM 1650 N SER A 104 -4.777 6.749 -6.776 1.00 0.00 N ATOM 1651 CA SER A 104 -5.632 5.584 -7.129 1.00 0.00 C ATOM 1652 C SER A 104 -5.301 4.335 -6.250 1.00 0.00 C ATOM 1653 O SER A 104 -6.231 3.687 -5.771 1.00 0.00 O ATOM 1654 CB SER A 104 -5.537 5.249 -8.636 1.00 0.00 C ATOM 1655 OG SER A 104 -6.046 6.313 -9.432 1.00 0.00 O ATOM 0 H SER A 104 -3.816 6.483 -6.563 1.00 0.00 H new ATOM 0 HA SER A 104 -6.663 5.867 -6.917 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.498 5.056 -8.904 1.00 0.00 H new ATOM 0 HB3 SER A 104 -6.095 4.336 -8.844 1.00 0.00 H new ATOM 0 HG SER A 104 -5.973 6.076 -10.380 1.00 0.00 H new ATOM 1661 N LEU A 105 -4.020 3.986 -5.987 1.00 0.00 N ATOM 1662 CA LEU A 105 -3.633 2.961 -4.970 1.00 0.00 C ATOM 1663 C LEU A 105 -4.098 3.218 -3.491 1.00 0.00 C ATOM 1664 O LEU A 105 -4.235 2.262 -2.725 1.00 0.00 O ATOM 1665 CB LEU A 105 -2.111 2.656 -5.129 1.00 0.00 C ATOM 1666 CG LEU A 105 -1.076 3.586 -4.432 1.00 0.00 C ATOM 1667 CD1 LEU A 105 -0.735 3.145 -2.994 1.00 0.00 C ATOM 1668 CD2 LEU A 105 0.214 3.732 -5.260 1.00 0.00 C ATOM 0 H LEU A 105 -3.222 4.401 -6.468 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.211 2.063 -5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.939 1.643 -4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.886 2.655 -6.195 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.562 4.559 -4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.008 3.835 -2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.641 3.148 -2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.314 2.140 -3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.909 4.389 -4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.672 2.752 -5.395 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.025 4.158 -6.234 1.00 0.00 H new ATOM 2135 N ASP A 137 1.104 16.213 1.129 1.00 0.00 N ATOM 2136 CA ASP A 137 2.524 15.840 0.860 1.00 0.00 C ATOM 2137 C ASP A 137 2.726 15.123 -0.513 1.00 0.00 C ATOM 2138 O ASP A 137 3.641 15.484 -1.257 1.00 0.00 O ATOM 2139 CB ASP A 137 3.035 14.932 2.004 1.00 0.00 C ATOM 2140 CG ASP A 137 3.173 15.581 3.390 1.00 0.00 C ATOM 2141 OD1 ASP A 137 4.235 16.176 3.678 1.00 0.00 O ATOM 2142 OD2 ASP A 137 2.221 15.493 4.196 1.00 0.00 O ATOM 0 HA ASP A 137 3.096 16.766 0.813 1.00 0.00 H new ATOM 0 HB2 ASP A 137 2.358 14.082 2.092 1.00 0.00 H new ATOM 0 HB3 ASP A 137 4.009 14.536 1.715 1.00 0.00 H new ATOM 2147 N LEU A 138 1.883 14.122 -0.850 1.00 0.00 N ATOM 2148 CA LEU A 138 1.749 13.595 -2.234 1.00 0.00 C ATOM 2149 C LEU A 138 1.051 14.573 -3.240 1.00 0.00 C ATOM 2150 O LEU A 138 1.336 14.477 -4.438 1.00 0.00 O ATOM 2151 CB LEU A 138 1.123 12.163 -2.238 1.00 0.00 C ATOM 2152 CG LEU A 138 -0.140 11.859 -1.372 1.00 0.00 C ATOM 2153 CD1 LEU A 138 -0.944 10.687 -1.963 1.00 0.00 C ATOM 2154 CD2 LEU A 138 0.166 11.524 0.108 1.00 0.00 C ATOM 0 H LEU A 138 1.276 13.655 -0.176 1.00 0.00 H new ATOM 0 HA LEU A 138 2.765 13.511 -2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 138 0.873 11.922 -3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 138 1.903 11.468 -1.928 1.00 0.00 H new ATOM 0 HG LEU A 138 -0.713 12.786 -1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -1.819 10.495 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -1.265 10.939 -2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -0.318 9.795 -1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -0.767 11.326 0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 138 0.805 10.642 0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 138 0.676 12.367 0.574 1.00 0.00 H new ATOM 2166 N ASP A 139 0.206 15.527 -2.780 1.00 0.00 N ATOM 2167 CA ASP A 139 -0.224 16.691 -3.608 1.00 0.00 C ATOM 2168 C ASP A 139 0.798 17.885 -3.683 1.00 0.00 C ATOM 2169 O ASP A 139 0.644 18.733 -4.567 1.00 0.00 O ATOM 2170 CB ASP A 139 -1.635 17.122 -3.126 1.00 0.00 C ATOM 2171 CG ASP A 139 -2.422 17.995 -4.113 1.00 0.00 C ATOM 2172 OD1 ASP A 139 -3.068 17.439 -5.029 1.00 0.00 O ATOM 2173 OD2 ASP A 139 -2.393 19.238 -3.977 1.00 0.00 O ATOM 0 H ASP A 139 -0.194 15.518 -1.842 1.00 0.00 H new ATOM 0 HA ASP A 139 -0.260 16.365 -4.648 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -2.218 16.226 -2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -1.531 17.666 -2.187 1.00 0.00 H new ATOM 2178 N ALA A 140 1.854 17.951 -2.839 1.00 0.00 N ATOM 2179 CA ALA A 140 3.027 18.844 -3.063 1.00 0.00 C ATOM 2180 C ALA A 140 3.869 18.594 -4.354 1.00 0.00 C ATOM 2181 O ALA A 140 4.481 19.539 -4.854 1.00 0.00 O ATOM 2182 CB ALA A 140 3.952 18.794 -1.836 1.00 0.00 C ATOM 0 H ALA A 140 1.922 17.393 -1.988 1.00 0.00 H new ATOM 0 HA ALA A 140 2.586 19.829 -3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 140 4.809 19.447 -2.000 1.00 0.00 H new ATOM 0 HB2 ALA A 140 3.405 19.128 -0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 140 4.298 17.772 -1.683 1.00 0.00 H new ATOM 2188 N LEU A 141 3.887 17.363 -4.905 1.00 0.00 N ATOM 2189 CA LEU A 141 4.460 17.064 -6.250 1.00 0.00 C ATOM 2190 C LEU A 141 3.693 17.684 -7.459 1.00 0.00 C ATOM 2191 O LEU A 141 4.317 18.088 -8.442 1.00 0.00 O ATOM 2192 CB LEU A 141 4.564 15.526 -6.490 1.00 0.00 C ATOM 2193 CG LEU A 141 5.024 14.605 -5.331 1.00 0.00 C ATOM 2194 CD1 LEU A 141 4.923 13.125 -5.735 1.00 0.00 C ATOM 2195 CD2 LEU A 141 6.437 14.929 -4.815 1.00 0.00 C ATOM 0 H LEU A 141 3.506 16.541 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 141 5.442 17.535 -6.217 1.00 0.00 H new ATOM 0 HB2 LEU A 141 3.583 15.178 -6.815 1.00 0.00 H new ATOM 0 HB3 LEU A 141 5.249 15.370 -7.323 1.00 0.00 H new ATOM 0 HG LEU A 141 4.342 14.799 -4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 141 5.251 12.498 -4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 141 3.889 12.886 -5.984 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.557 12.940 -6.602 1.00 0.00 H new ATOM 0 HD21 LEU A 141 6.694 14.246 -4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 141 7.156 14.816 -5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 141 6.464 15.955 -4.447 1.00 0.00 H new ATOM 2207 N GLN A 142 2.354 17.756 -7.374 1.00 0.00 N ATOM 2208 CA GLN A 142 1.486 18.485 -8.345 1.00 0.00 C ATOM 2209 C GLN A 142 1.818 19.991 -8.583 1.00 0.00 C ATOM 2210 O GLN A 142 1.741 20.460 -9.722 1.00 0.00 O ATOM 2211 CB GLN A 142 0.007 18.327 -7.888 1.00 0.00 C ATOM 2212 CG GLN A 142 -0.542 16.887 -7.791 1.00 0.00 C ATOM 2213 CD GLN A 142 -0.746 16.186 -9.145 1.00 0.00 C ATOM 2214 OE1 GLN A 142 -1.832 16.205 -9.722 1.00 0.00 O ATOM 2215 NE2 GLN A 142 0.291 15.557 -9.677 1.00 0.00 N ATOM 0 H GLN A 142 1.827 17.308 -6.624 1.00 0.00 H new ATOM 0 HA GLN A 142 1.677 18.025 -9.315 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -0.098 18.797 -6.910 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -0.624 18.885 -8.580 1.00 0.00 H new ATOM 0 HG2 GLN A 142 0.143 16.291 -7.188 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -1.495 16.910 -7.262 1.00 0.00 H new ATOM 0 HE21 GLN A 142 1.187 15.548 -9.189 1.00 0.00 H new ATOM 0 HE22 GLN A 142 0.194 15.082 -10.574 1.00 0.00 H new ATOM 2224 N GLN A 143 2.201 20.716 -7.517 1.00 0.00 N ATOM 2225 CA GLN A 143 2.794 22.074 -7.612 1.00 0.00 C ATOM 2226 C GLN A 143 4.332 22.090 -7.863 1.00 0.00 C ATOM 2227 O GLN A 143 4.799 23.021 -8.527 1.00 0.00 O ATOM 2228 CB GLN A 143 2.392 22.932 -6.375 1.00 0.00 C ATOM 2229 CG GLN A 143 2.710 22.353 -4.974 1.00 0.00 C ATOM 2230 CD GLN A 143 2.389 23.312 -3.819 1.00 0.00 C ATOM 2231 OE1 GLN A 143 1.231 23.526 -3.463 1.00 0.00 O ATOM 2232 NE2 GLN A 143 3.407 23.897 -3.206 1.00 0.00 N ATOM 0 H GLN A 143 2.110 20.380 -6.558 1.00 0.00 H new ATOM 0 HA GLN A 143 2.370 22.529 -8.508 1.00 0.00 H new ATOM 0 HB2 GLN A 143 2.887 23.899 -6.460 1.00 0.00 H new ATOM 0 HB3 GLN A 143 1.319 23.117 -6.428 1.00 0.00 H new ATOM 0 HG2 GLN A 143 2.145 21.431 -4.836 1.00 0.00 H new ATOM 0 HG3 GLN A 143 3.767 22.089 -4.932 1.00 0.00 H new ATOM 0 HE21 GLN A 143 4.362 23.710 -3.512 1.00 0.00 H new ATOM 0 HE22 GLN A 143 3.236 24.534 -2.428 1.00 0.00 H new ATOM 2241 N ASN A 144 5.120 21.122 -7.336 1.00 0.00 N ATOM 2242 CA ASN A 144 6.600 21.145 -7.449 1.00 0.00 C ATOM 2243 C ASN A 144 7.130 19.680 -7.364 1.00 0.00 C ATOM 2244 O ASN A 144 7.341 19.206 -6.247 1.00 0.00 O ATOM 2245 CB ASN A 144 7.304 22.147 -6.480 1.00 0.00 C ATOM 2246 CG ASN A 144 6.800 22.284 -5.026 1.00 0.00 C ATOM 2247 OD1 ASN A 144 6.113 23.244 -4.686 1.00 0.00 O ATOM 2248 ND2 ASN A 144 7.110 21.345 -4.151 1.00 0.00 N ATOM 0 H ASN A 144 4.756 20.315 -6.829 1.00 0.00 H new ATOM 0 HA ASN A 144 6.868 21.551 -8.424 1.00 0.00 H new ATOM 0 HB2 ASN A 144 8.358 21.872 -6.435 1.00 0.00 H new ATOM 0 HB3 ASN A 144 7.252 23.135 -6.938 1.00 0.00 H new ATOM 0 HD21 ASN A 144 6.779 21.415 -3.189 1.00 0.00 H new ATOM 0 HD22 ASN A 144 7.681 20.549 -4.437 1.00 0.00 H new ATOM 2255 N PRO A 145 7.360 18.917 -8.475 1.00 0.00 N ATOM 2256 CA PRO A 145 7.789 17.490 -8.406 1.00 0.00 C ATOM 2257 C PRO A 145 9.282 17.307 -7.997 1.00 0.00 C ATOM 2258 O PRO A 145 10.143 18.123 -8.342 1.00 0.00 O ATOM 2259 CB PRO A 145 7.418 16.968 -9.807 1.00 0.00 C ATOM 2260 CG PRO A 145 7.428 18.186 -10.731 1.00 0.00 C ATOM 2261 CD PRO A 145 7.008 19.355 -9.839 1.00 0.00 C ATOM 0 HA PRO A 145 7.300 16.920 -7.616 1.00 0.00 H new ATOM 0 HB2 PRO A 145 8.132 16.217 -10.145 1.00 0.00 H new ATOM 0 HB3 PRO A 145 6.437 16.493 -9.799 1.00 0.00 H new ATOM 0 HG2 PRO A 145 8.417 18.350 -11.159 1.00 0.00 H new ATOM 0 HG3 PRO A 145 6.738 18.056 -11.564 1.00 0.00 H new ATOM 0 HD2 PRO A 145 7.533 20.271 -10.110 1.00 0.00 H new ATOM 0 HD3 PRO A 145 5.941 19.560 -9.928 1.00 0.00 H new ATOM 2269 N GLN A 146 9.552 16.251 -7.202 1.00 0.00 N ATOM 2270 CA GLN A 146 10.833 16.081 -6.462 1.00 0.00 C ATOM 2271 C GLN A 146 11.278 14.582 -6.511 1.00 0.00 C ATOM 2272 O GLN A 146 10.408 13.711 -6.398 1.00 0.00 O ATOM 2273 CB GLN A 146 10.660 16.498 -4.971 1.00 0.00 C ATOM 2274 CG GLN A 146 10.446 18.011 -4.698 1.00 0.00 C ATOM 2275 CD GLN A 146 9.532 18.303 -3.496 1.00 0.00 C ATOM 2276 OE1 GLN A 146 9.976 18.667 -2.409 1.00 0.00 O ATOM 2277 NE2 GLN A 146 8.231 18.138 -3.666 1.00 0.00 N ATOM 0 H GLN A 146 8.892 15.488 -7.051 1.00 0.00 H new ATOM 0 HA GLN A 146 11.586 16.713 -6.932 1.00 0.00 H new ATOM 0 HB2 GLN A 146 9.810 15.953 -4.560 1.00 0.00 H new ATOM 0 HB3 GLN A 146 11.543 16.173 -4.421 1.00 0.00 H new ATOM 0 HG2 GLN A 146 11.415 18.480 -4.528 1.00 0.00 H new ATOM 0 HG3 GLN A 146 10.019 18.474 -5.588 1.00 0.00 H new ATOM 0 HE21 GLN A 146 7.869 17.836 -4.571 1.00 0.00 H new ATOM 0 HE22 GLN A 146 7.589 18.313 -2.893 1.00 0.00 H new ATOM 2286 N PRO A 147 12.590 14.211 -6.632 1.00 0.00 N ATOM 2287 CA PRO A 147 13.037 12.791 -6.609 1.00 0.00 C ATOM 2288 C PRO A 147 12.992 12.186 -5.170 1.00 0.00 C ATOM 2289 O PRO A 147 13.552 12.763 -4.232 1.00 0.00 O ATOM 2290 CB PRO A 147 14.459 12.898 -7.190 1.00 0.00 C ATOM 2291 CG PRO A 147 14.957 14.298 -6.825 1.00 0.00 C ATOM 2292 CD PRO A 147 13.697 15.164 -6.861 1.00 0.00 C ATOM 0 HA PRO A 147 12.401 12.110 -7.175 1.00 0.00 H new ATOM 0 HB2 PRO A 147 15.110 12.130 -6.772 1.00 0.00 H new ATOM 0 HB3 PRO A 147 14.451 12.756 -8.271 1.00 0.00 H new ATOM 0 HG2 PRO A 147 15.422 14.311 -5.839 1.00 0.00 H new ATOM 0 HG3 PRO A 147 15.705 14.653 -7.534 1.00 0.00 H new ATOM 0 HD2 PRO A 147 13.723 15.936 -6.091 1.00 0.00 H new ATOM 0 HD3 PRO A 147 13.592 15.673 -7.819 1.00 0.00 H new ATOM 2300 N LEU A 148 12.274 11.061 -5.015 1.00 0.00 N ATOM 2301 CA LEU A 148 11.855 10.545 -3.668 1.00 0.00 C ATOM 2302 C LEU A 148 12.598 9.233 -3.261 1.00 0.00 C ATOM 2303 O LEU A 148 12.999 8.441 -4.115 1.00 0.00 O ATOM 2304 CB LEU A 148 10.316 10.288 -3.634 1.00 0.00 C ATOM 2305 CG LEU A 148 9.378 11.413 -4.149 1.00 0.00 C ATOM 2306 CD1 LEU A 148 7.970 10.886 -4.468 1.00 0.00 C ATOM 2307 CD2 LEU A 148 9.346 12.623 -3.199 1.00 0.00 C ATOM 0 H LEU A 148 11.964 10.481 -5.795 1.00 0.00 H new ATOM 0 HA LEU A 148 12.126 11.319 -2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 148 10.114 9.391 -4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 148 10.037 10.066 -2.604 1.00 0.00 H new ATOM 0 HG LEU A 148 9.800 11.769 -5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 148 7.347 11.706 -4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 148 8.035 10.118 -5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 148 7.528 10.460 -3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 148 8.677 13.384 -3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 148 8.989 12.307 -2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 148 10.350 13.037 -3.103 1.00 0.00 H new ATOM 2319 N ILE A 149 12.693 8.995 -1.936 1.00 0.00 N ATOM 2320 CA ILE A 149 13.241 7.740 -1.327 1.00 0.00 C ATOM 2321 C ILE A 149 12.059 6.759 -1.122 1.00 0.00 C ATOM 2322 O ILE A 149 11.118 7.062 -0.392 1.00 0.00 O ATOM 2323 CB ILE A 149 14.023 8.013 0.014 1.00 0.00 C ATOM 2324 CG1 ILE A 149 15.330 8.842 -0.170 1.00 0.00 C ATOM 2325 CG2 ILE A 149 14.342 6.740 0.842 1.00 0.00 C ATOM 2326 CD1 ILE A 149 16.553 8.112 -0.751 1.00 0.00 C ATOM 0 H ILE A 149 12.389 9.674 -1.238 1.00 0.00 H new ATOM 0 HA ILE A 149 13.978 7.300 -1.999 1.00 0.00 H new ATOM 0 HB ILE A 149 13.311 8.613 0.580 1.00 0.00 H new ATOM 0 HG12 ILE A 149 15.104 9.689 -0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 149 15.610 9.249 0.801 1.00 0.00 H new ATOM 0 HG21 ILE A 149 14.881 7.020 1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 149 13.412 6.240 1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 149 14.957 6.064 0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 149 17.390 8.806 -0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 149 16.826 7.283 -0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 149 16.311 7.729 -1.742 1.00 0.00 H new ATOM 2338 N PHE A 150 12.183 5.564 -1.710 1.00 0.00 N ATOM 2339 CA PHE A 150 11.179 4.483 -1.614 1.00 0.00 C ATOM 2340 C PHE A 150 11.839 3.330 -0.811 1.00 0.00 C ATOM 2341 O PHE A 150 12.640 2.555 -1.347 1.00 0.00 O ATOM 2342 CB PHE A 150 10.804 4.007 -3.045 1.00 0.00 C ATOM 2343 CG PHE A 150 10.063 4.995 -3.956 1.00 0.00 C ATOM 2344 CD1 PHE A 150 10.772 5.995 -4.627 1.00 0.00 C ATOM 2345 CD2 PHE A 150 8.680 4.909 -4.124 1.00 0.00 C ATOM 2346 CE1 PHE A 150 10.097 6.934 -5.393 1.00 0.00 C ATOM 2347 CE2 PHE A 150 8.007 5.851 -4.896 1.00 0.00 C ATOM 2348 CZ PHE A 150 8.710 6.860 -5.532 1.00 0.00 C ATOM 0 H PHE A 150 12.993 5.311 -2.276 1.00 0.00 H new ATOM 0 HA PHE A 150 10.268 4.819 -1.119 1.00 0.00 H new ATOM 0 HB2 PHE A 150 11.723 3.709 -3.551 1.00 0.00 H new ATOM 0 HB3 PHE A 150 10.188 3.113 -2.950 1.00 0.00 H new ATOM 0 HD1 PHE A 150 11.848 6.037 -4.549 1.00 0.00 H new ATOM 0 HD2 PHE A 150 8.130 4.108 -3.653 1.00 0.00 H new ATOM 0 HE1 PHE A 150 10.646 7.724 -5.883 1.00 0.00 H new ATOM 0 HE2 PHE A 150 6.933 5.795 -4.999 1.00 0.00 H new ATOM 0 HZ PHE A 150 8.187 7.588 -6.134 1.00 0.00 H new ATOM 2358 N HIS A 151 11.478 3.228 0.479 1.00 0.00 N ATOM 2359 CA HIS A 151 11.916 2.117 1.358 1.00 0.00 C ATOM 2360 C HIS A 151 10.885 0.968 1.238 1.00 0.00 C ATOM 2361 O HIS A 151 9.870 0.944 1.937 1.00 0.00 O ATOM 2362 CB HIS A 151 12.135 2.647 2.802 1.00 0.00 C ATOM 2363 CG HIS A 151 12.656 1.664 3.873 1.00 0.00 C ATOM 2364 ND1 HIS A 151 13.563 2.032 4.850 1.00 0.00 N ATOM 2365 CD2 HIS A 151 12.249 0.327 4.101 1.00 0.00 C ATOM 2366 CE1 HIS A 151 13.614 0.879 5.586 1.00 0.00 C ATOM 2367 NE2 HIS A 151 12.867 -0.210 5.220 1.00 0.00 N ATOM 0 H HIS A 151 10.877 3.907 0.946 1.00 0.00 H new ATOM 0 HA HIS A 151 12.879 1.708 1.054 1.00 0.00 H new ATOM 0 HB2 HIS A 151 12.835 3.480 2.747 1.00 0.00 H new ATOM 0 HB3 HIS A 151 11.186 3.051 3.155 1.00 0.00 H new ATOM 0 HD2 HIS A 151 11.545 -0.208 3.481 1.00 0.00 H new ATOM 0 HE1 HIS A 151 14.246 0.827 6.460 1.00 0.00 H new ATOM 0 HE2 HIS A 151 12.789 -1.135 5.643 1.00 0.00 H new ATOM 2375 N MET A 152 11.222 -0.018 0.396 1.00 0.00 N ATOM 2376 CA MET A 152 10.466 -1.282 0.287 1.00 0.00 C ATOM 2377 C MET A 152 10.987 -2.361 1.278 1.00 0.00 C ATOM 2378 O MET A 152 12.182 -2.434 1.584 1.00 0.00 O ATOM 2379 CB MET A 152 10.517 -1.806 -1.168 1.00 0.00 C ATOM 2380 CG MET A 152 9.496 -1.183 -2.126 1.00 0.00 C ATOM 2381 SD MET A 152 9.776 0.562 -2.446 1.00 0.00 S ATOM 2382 CE MET A 152 8.284 0.875 -3.413 1.00 0.00 C ATOM 0 H MET A 152 12.025 0.034 -0.230 1.00 0.00 H new ATOM 0 HA MET A 152 9.431 -1.074 0.557 1.00 0.00 H new ATOM 0 HB2 MET A 152 11.517 -1.630 -1.565 1.00 0.00 H new ATOM 0 HB3 MET A 152 10.365 -2.885 -1.153 1.00 0.00 H new ATOM 0 HG2 MET A 152 9.520 -1.725 -3.071 1.00 0.00 H new ATOM 0 HG3 MET A 152 8.496 -1.311 -1.711 1.00 0.00 H new ATOM 0 HE1 MET A 152 8.261 1.921 -3.718 1.00 0.00 H new ATOM 0 HE2 MET A 152 8.284 0.239 -4.298 1.00 0.00 H new ATOM 0 HE3 MET A 152 7.405 0.654 -2.808 1.00 0.00 H new ATOM 2392 N GLU A 153 10.058 -3.220 1.739 1.00 0.00 N ATOM 2393 CA GLU A 153 10.371 -4.375 2.605 1.00 0.00 C ATOM 2394 C GLU A 153 9.595 -5.567 1.979 1.00 0.00 C ATOM 2395 O GLU A 153 8.384 -5.679 2.178 1.00 0.00 O ATOM 2396 CB GLU A 153 10.045 -3.995 4.090 1.00 0.00 C ATOM 2397 CG GLU A 153 9.402 -5.087 4.966 1.00 0.00 C ATOM 2398 CD GLU A 153 9.507 -4.829 6.468 1.00 0.00 C ATOM 2399 OE1 GLU A 153 10.516 -5.241 7.082 1.00 0.00 O ATOM 2400 OE2 GLU A 153 8.582 -4.211 7.042 1.00 0.00 O ATOM 0 H GLU A 153 9.065 -3.133 1.521 1.00 0.00 H new ATOM 0 HA GLU A 153 11.420 -4.669 2.652 1.00 0.00 H new ATOM 0 HB2 GLU A 153 10.971 -3.678 4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 153 9.379 -3.132 4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 153 8.350 -5.179 4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 153 9.874 -6.043 4.739 1.00 0.00 H new ATOM 2407 N MET A 154 10.279 -6.472 1.254 1.00 0.00 N ATOM 2408 CA MET A 154 9.634 -7.669 0.660 1.00 0.00 C ATOM 2409 C MET A 154 9.356 -8.791 1.691 1.00 0.00 C ATOM 2410 O MET A 154 10.144 -9.053 2.603 1.00 0.00 O ATOM 2411 CB MET A 154 10.445 -8.148 -0.565 1.00 0.00 C ATOM 2412 CG MET A 154 9.687 -9.141 -1.474 1.00 0.00 C ATOM 2413 SD MET A 154 10.329 -9.067 -3.155 1.00 0.00 S ATOM 2414 CE MET A 154 9.679 -7.467 -3.679 1.00 0.00 C ATOM 0 H MET A 154 11.278 -6.401 1.063 1.00 0.00 H new ATOM 0 HA MET A 154 8.642 -7.380 0.313 1.00 0.00 H new ATOM 0 HB2 MET A 154 10.736 -7.280 -1.157 1.00 0.00 H new ATOM 0 HB3 MET A 154 11.364 -8.619 -0.217 1.00 0.00 H new ATOM 0 HG2 MET A 154 9.789 -10.153 -1.083 1.00 0.00 H new ATOM 0 HG3 MET A 154 8.623 -8.905 -1.473 1.00 0.00 H new ATOM 0 HE1 MET A 154 9.193 -7.572 -4.649 1.00 0.00 H new ATOM 0 HE2 MET A 154 8.954 -7.111 -2.947 1.00 0.00 H new ATOM 0 HE3 MET A 154 10.496 -6.750 -3.758 1.00 0.00 H new ATOM 2424 N LEU A 155 8.193 -9.428 1.490 1.00 0.00 N ATOM 2425 CA LEU A 155 7.703 -10.568 2.306 1.00 0.00 C ATOM 2426 C LEU A 155 7.427 -11.815 1.411 1.00 0.00 C ATOM 2427 O LEU A 155 7.978 -12.885 1.692 1.00 0.00 O ATOM 2428 CB LEU A 155 6.526 -10.190 3.266 1.00 0.00 C ATOM 2429 CG LEU A 155 5.570 -9.014 2.878 1.00 0.00 C ATOM 2430 CD1 LEU A 155 4.108 -9.277 3.253 1.00 0.00 C ATOM 2431 CD2 LEU A 155 6.037 -7.682 3.493 1.00 0.00 C ATOM 0 H LEU A 155 7.549 -9.167 0.744 1.00 0.00 H new ATOM 0 HA LEU A 155 8.505 -10.849 2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 155 5.912 -11.081 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 155 6.959 -9.953 4.238 1.00 0.00 H new ATOM 0 HG LEU A 155 5.619 -8.943 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 155 3.497 -8.424 2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 155 3.756 -10.171 2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 155 4.029 -9.423 4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 155 5.350 -6.887 3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 155 6.054 -7.769 4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 155 7.038 -7.446 3.132 1.00 0.00 H new ATOM 2443 N LYS A 156 6.579 -11.698 0.367 1.00 0.00 N ATOM 2444 CA LYS A 156 6.191 -12.828 -0.521 1.00 0.00 C ATOM 2445 C LYS A 156 6.010 -12.280 -1.957 1.00 0.00 C ATOM 2446 O LYS A 156 5.496 -11.184 -2.182 1.00 0.00 O ATOM 2447 CB LYS A 156 4.920 -13.506 0.050 1.00 0.00 C ATOM 2448 CG LYS A 156 4.352 -14.775 -0.633 1.00 0.00 C ATOM 2449 CD LYS A 156 3.531 -14.632 -1.937 1.00 0.00 C ATOM 2450 CE LYS A 156 2.524 -13.467 -1.977 1.00 0.00 C ATOM 2451 NZ LYS A 156 1.727 -13.478 -3.216 1.00 0.00 N ATOM 0 H LYS A 156 6.139 -10.814 0.110 1.00 0.00 H new ATOM 0 HA LYS A 156 6.962 -13.598 -0.563 1.00 0.00 H new ATOM 0 HB2 LYS A 156 5.126 -13.761 1.089 1.00 0.00 H new ATOM 0 HB3 LYS A 156 4.127 -12.758 0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 156 5.192 -15.436 -0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 156 3.722 -15.285 0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 156 4.225 -14.515 -2.769 1.00 0.00 H new ATOM 0 HD3 LYS A 156 2.987 -15.562 -2.104 1.00 0.00 H new ATOM 0 HE2 LYS A 156 1.859 -13.531 -1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 156 3.059 -12.521 -1.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 0.778 -13.101 -3.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 2.193 -12.888 -3.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 1.647 -14.453 -3.568 1.00 0.00 H new ATOM 2465 N VAL A 157 6.431 -13.091 -2.930 1.00 0.00 N ATOM 2466 CA VAL A 157 6.356 -12.754 -4.377 1.00 0.00 C ATOM 2467 C VAL A 157 6.205 -14.075 -5.200 1.00 0.00 C ATOM 2468 O VAL A 157 6.929 -15.053 -4.982 1.00 0.00 O ATOM 2469 CB VAL A 157 7.499 -11.777 -4.833 1.00 0.00 C ATOM 2470 CG1 VAL A 157 8.925 -12.117 -4.350 1.00 0.00 C ATOM 2471 CG2 VAL A 157 7.492 -11.532 -6.354 1.00 0.00 C ATOM 0 H VAL A 157 6.838 -14.008 -2.748 1.00 0.00 H new ATOM 0 HA VAL A 157 5.462 -12.164 -4.582 1.00 0.00 H new ATOM 0 HB VAL A 157 7.240 -10.854 -4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 157 9.625 -11.372 -4.728 1.00 0.00 H new ATOM 0 HG12 VAL A 157 8.950 -12.117 -3.260 1.00 0.00 H new ATOM 0 HG13 VAL A 157 9.209 -13.102 -4.720 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.301 -10.850 -6.616 1.00 0.00 H new ATOM 0 HG22 VAL A 157 7.632 -12.479 -6.876 1.00 0.00 H new ATOM 0 HG23 VAL A 157 6.538 -11.093 -6.647 1.00 0.00 H new ATOM 2481 N GLU A 158 5.256 -14.060 -6.162 1.00 0.00 N ATOM 2482 CA GLU A 158 4.927 -15.231 -7.027 1.00 0.00 C ATOM 2483 C GLU A 158 4.916 -14.815 -8.527 1.00 0.00 C ATOM 2484 O GLU A 158 4.531 -13.702 -8.884 1.00 0.00 O ATOM 2485 CB GLU A 158 3.544 -15.822 -6.636 1.00 0.00 C ATOM 2486 CG GLU A 158 3.547 -16.713 -5.378 1.00 0.00 C ATOM 2487 CD GLU A 158 2.165 -17.302 -5.085 1.00 0.00 C ATOM 2488 OE1 GLU A 158 1.370 -16.653 -4.370 1.00 0.00 O ATOM 2489 OE2 GLU A 158 1.864 -18.412 -5.577 1.00 0.00 O ATOM 0 H GLU A 158 4.691 -13.236 -6.367 1.00 0.00 H new ATOM 0 HA GLU A 158 5.693 -15.992 -6.877 1.00 0.00 H new ATOM 0 HB2 GLU A 158 2.846 -15.000 -6.479 1.00 0.00 H new ATOM 0 HB3 GLU A 158 3.165 -16.406 -7.475 1.00 0.00 H new ATOM 0 HG2 GLU A 158 4.265 -17.523 -5.510 1.00 0.00 H new ATOM 0 HG3 GLU A 158 3.880 -16.128 -4.521 1.00 0.00 H new ATOM 2496 N SER A 159 5.311 -15.749 -9.410 1.00 0.00 N ATOM 2497 CA SER A 159 5.457 -15.501 -10.875 1.00 0.00 C ATOM 2498 C SER A 159 4.169 -15.815 -11.717 1.00 0.00 C ATOM 2499 O SER A 159 3.288 -16.511 -11.198 1.00 0.00 O ATOM 2500 CB SER A 159 6.639 -16.389 -11.348 1.00 0.00 C ATOM 2501 OG SER A 159 7.873 -15.928 -10.817 1.00 0.00 O ATOM 0 H SER A 159 5.541 -16.704 -9.137 1.00 0.00 H new ATOM 0 HA SER A 159 5.634 -14.437 -11.034 1.00 0.00 H new ATOM 0 HB2 SER A 159 6.469 -17.420 -11.038 1.00 0.00 H new ATOM 0 HB3 SER A 159 6.685 -16.387 -12.437 1.00 0.00 H new ATOM 0 HG SER A 159 8.600 -16.506 -11.130 1.00 0.00 H new ATOM 2507 N PRO A 160 4.017 -15.380 -13.014 1.00 0.00 N ATOM 2508 CA PRO A 160 2.831 -15.699 -13.856 1.00 0.00 C ATOM 2509 C PRO A 160 2.735 -17.205 -14.236 1.00 0.00 C ATOM 2510 O PRO A 160 3.539 -17.715 -15.024 1.00 0.00 O ATOM 2511 CB PRO A 160 2.989 -14.767 -15.075 1.00 0.00 C ATOM 2512 CG PRO A 160 4.478 -14.431 -15.148 1.00 0.00 C ATOM 2513 CD PRO A 160 4.950 -14.458 -13.695 1.00 0.00 C ATOM 0 HA PRO A 160 1.891 -15.531 -13.330 1.00 0.00 H new ATOM 0 HB2 PRO A 160 2.653 -15.257 -15.989 1.00 0.00 H new ATOM 0 HB3 PRO A 160 2.389 -13.864 -14.958 1.00 0.00 H new ATOM 0 HG2 PRO A 160 5.019 -15.157 -15.754 1.00 0.00 H new ATOM 0 HG3 PRO A 160 4.642 -13.453 -15.600 1.00 0.00 H new ATOM 0 HD2 PRO A 160 5.979 -14.809 -13.620 1.00 0.00 H new ATOM 0 HD3 PRO A 160 4.919 -13.463 -13.250 1.00 0.00 H new ATOM 2521 N GLY A 161 1.767 -17.899 -13.618 1.00 0.00 N ATOM 2522 CA GLY A 161 1.730 -19.379 -13.612 1.00 0.00 C ATOM 2523 C GLY A 161 1.310 -19.942 -12.242 1.00 0.00 C ATOM 2524 O GLY A 161 0.349 -20.711 -12.159 1.00 0.00 O ATOM 0 H GLY A 161 0.995 -17.462 -13.113 1.00 0.00 H new ATOM 0 HA2 GLY A 161 1.034 -19.727 -14.375 1.00 0.00 H new ATOM 0 HA3 GLY A 161 2.714 -19.767 -13.877 1.00 0.00 H new ATOM 2528 N THR A 162 2.059 -19.569 -11.189 1.00 0.00 N ATOM 2529 CA THR A 162 1.811 -20.018 -9.795 1.00 0.00 C ATOM 2530 C THR A 162 0.875 -19.103 -8.943 1.00 0.00 C ATOM 2531 O THR A 162 0.238 -19.623 -8.022 1.00 0.00 O ATOM 2532 CB THR A 162 3.176 -20.347 -9.117 1.00 0.00 C ATOM 2533 OG1 THR A 162 2.954 -21.021 -7.883 1.00 0.00 O ATOM 2534 CG2 THR A 162 4.128 -19.165 -8.853 1.00 0.00 C ATOM 0 H THR A 162 2.860 -18.944 -11.275 1.00 0.00 H new ATOM 0 HA THR A 162 1.215 -20.929 -9.851 1.00 0.00 H new ATOM 0 HB THR A 162 3.683 -20.966 -9.857 1.00 0.00 H new ATOM 0 HG1 THR A 162 3.815 -21.226 -7.463 1.00 0.00 H new ATOM 0 HG21 THR A 162 5.039 -19.530 -8.379 1.00 0.00 H new ATOM 0 HG22 THR A 162 4.379 -18.682 -9.797 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.641 -18.445 -8.196 1.00 0.00 H new ATOM 2542 N TYR A 163 0.784 -17.780 -9.216 1.00 0.00 N ATOM 2543 CA TYR A 163 -0.023 -16.844 -8.394 1.00 0.00 C ATOM 2544 C TYR A 163 -1.559 -17.013 -8.614 1.00 0.00 C ATOM 2545 O TYR A 163 -2.010 -17.175 -9.752 1.00 0.00 O ATOM 2546 CB TYR A 163 0.483 -15.378 -8.575 1.00 0.00 C ATOM 2547 CG TYR A 163 -0.125 -14.514 -9.699 1.00 0.00 C ATOM 2548 CD1 TYR A 163 0.289 -14.658 -11.024 1.00 0.00 C ATOM 2549 CD2 TYR A 163 -1.125 -13.588 -9.389 1.00 0.00 C ATOM 2550 CE1 TYR A 163 -0.280 -13.873 -12.026 1.00 0.00 C ATOM 2551 CE2 TYR A 163 -1.683 -12.794 -10.386 1.00 0.00 C ATOM 2552 CZ TYR A 163 -1.258 -12.934 -11.704 1.00 0.00 C ATOM 2553 OH TYR A 163 -1.806 -12.144 -12.680 1.00 0.00 O ATOM 0 H TYR A 163 1.260 -17.335 -10.001 1.00 0.00 H new ATOM 0 HA TYR A 163 0.127 -17.103 -7.346 1.00 0.00 H new ATOM 0 HB2 TYR A 163 0.321 -14.855 -7.633 1.00 0.00 H new ATOM 0 HB3 TYR A 163 1.560 -15.419 -8.736 1.00 0.00 H new ATOM 0 HD1 TYR A 163 1.053 -15.380 -11.274 1.00 0.00 H new ATOM 0 HD2 TYR A 163 -1.467 -13.488 -8.369 1.00 0.00 H new ATOM 0 HE1 TYR A 163 0.037 -13.993 -13.051 1.00 0.00 H new ATOM 0 HE2 TYR A 163 -2.445 -12.070 -10.138 1.00 0.00 H new ATOM 0 HH TYR A 163 -2.473 -11.546 -12.281 1.00 0.00 H new