USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 935 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 55 TYR OH : rot 30:sc= 0.197 USER MOD Set 1.2: A 114 LYS NZ :NH3+ -176:sc= -0.112 (180deg=-0.425) USER MOD Single : A 12 SER OG : rot 114:sc= 1.41 USER MOD Single : A 18 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.24) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot -170:sc= -1.11 USER MOD Single : A 33 THR OG1 : rot 71:sc= -0.884 USER MOD Single : A 34 THR OG1 : rot -162:sc= 1.33 USER MOD Single : A 36 CYS SG : rot 180:sc= -0.0426 USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 44:sc= 0.406 USER MOD Single : A 44 LYS NZ :NH3+ 156:sc= -0.119 (180deg=-0.589) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -1.45 K(o=-1.5,f=-8.4!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 153:sc= -0.542 (180deg=-1.85!) USER MOD Single : A 67 MET CE :methyl -166:sc= -0.367 (180deg=-1.06) USER MOD Single : A 69 LYS NZ :NH3+ -160:sc= -0.0752 (180deg=-0.483) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -140:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0212 K(o=-0.021,f=-1.4) USER MOD Single : A 92 SER OG : rot 180:sc= 0.0366 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -168:sc= 1.62 (180deg=0.813) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 5 12.039 0.621 8.616 1.00 0.00 N ATOM 51 CA GLY A 5 11.457 1.462 7.595 1.00 0.00 C ATOM 52 C GLY A 5 9.951 1.500 7.654 1.00 0.00 C ATOM 53 O GLY A 5 9.363 1.697 8.719 1.00 0.00 O ATOM 0 HA2 GLY A 5 11.845 2.475 7.701 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.768 1.102 6.614 1.00 0.00 H new ATOM 57 N ILE A 6 9.337 1.311 6.499 1.00 0.00 N ATOM 58 CA ILE A 6 7.887 1.351 6.373 1.00 0.00 C ATOM 59 C ILE A 6 7.237 0.237 7.189 1.00 0.00 C ATOM 60 O ILE A 6 7.591 -0.933 7.045 1.00 0.00 O ATOM 61 CB ILE A 6 7.446 1.211 4.900 1.00 0.00 C ATOM 62 CG1 ILE A 6 8.193 2.216 4.021 1.00 0.00 C ATOM 63 CG2 ILE A 6 5.941 1.419 4.778 1.00 0.00 C ATOM 64 CD1 ILE A 6 7.906 2.069 2.541 1.00 0.00 C ATOM 0 H ILE A 6 9.826 1.126 5.623 1.00 0.00 H new ATOM 0 HA ILE A 6 7.562 2.320 6.753 1.00 0.00 H new ATOM 0 HB ILE A 6 7.689 0.205 4.559 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.927 3.226 4.334 1.00 0.00 H new ATOM 0 HG13 ILE A 6 9.264 2.103 4.186 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.643 1.318 3.734 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.421 0.672 5.378 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.681 2.416 5.134 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.472 2.816 1.985 1.00 0.00 H new ATOM 0 HD12 ILE A 6 8.198 1.072 2.211 1.00 0.00 H new ATOM 0 HD13 ILE A 6 6.841 2.213 2.361 1.00 0.00 H new ATOM 76 N ALA A 7 6.306 0.613 8.052 1.00 0.00 N ATOM 77 CA ALA A 7 5.548 -0.349 8.833 1.00 0.00 C ATOM 78 C ALA A 7 4.064 -0.041 8.723 1.00 0.00 C ATOM 79 O ALA A 7 3.598 0.984 9.221 1.00 0.00 O ATOM 80 CB ALA A 7 5.996 -0.328 10.289 1.00 0.00 C ATOM 0 H ALA A 7 6.057 1.586 8.229 1.00 0.00 H new ATOM 0 HA ALA A 7 5.731 -1.349 8.440 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.417 -1.055 10.858 1.00 0.00 H new ATOM 0 HB2 ALA A 7 7.055 -0.581 10.348 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.837 0.667 10.704 1.00 0.00 H new ATOM 86 N PHE A 8 3.331 -0.916 8.056 1.00 0.00 N ATOM 87 CA PHE A 8 1.914 -0.706 7.824 1.00 0.00 C ATOM 88 C PHE A 8 1.109 -1.090 9.061 1.00 0.00 C ATOM 89 O PHE A 8 1.389 -2.100 9.710 1.00 0.00 O ATOM 90 CB PHE A 8 1.446 -1.540 6.633 1.00 0.00 C ATOM 91 CG PHE A 8 2.276 -1.370 5.394 1.00 0.00 C ATOM 92 CD1 PHE A 8 2.110 -0.265 4.576 1.00 0.00 C ATOM 93 CD2 PHE A 8 3.217 -2.323 5.042 1.00 0.00 C ATOM 94 CE1 PHE A 8 2.869 -0.116 3.432 1.00 0.00 C ATOM 95 CE2 PHE A 8 3.980 -2.177 3.901 1.00 0.00 C ATOM 96 CZ PHE A 8 3.806 -1.073 3.093 1.00 0.00 C ATOM 0 H PHE A 8 3.697 -1.783 7.664 1.00 0.00 H new ATOM 0 HA PHE A 8 1.755 0.351 7.610 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.451 -2.592 6.917 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.414 -1.276 6.403 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.380 0.487 4.835 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.356 -3.192 5.668 1.00 0.00 H new ATOM 0 HE1 PHE A 8 2.730 0.750 2.801 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.713 -2.927 3.641 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.400 -0.957 2.199 1.00 0.00 H new ATOM 106 N ARG A 9 0.118 -0.278 9.391 1.00 0.00 N ATOM 107 CA ARG A 9 -0.784 -0.591 10.489 1.00 0.00 C ATOM 108 C ARG A 9 -1.917 -1.469 9.979 1.00 0.00 C ATOM 109 O ARG A 9 -2.137 -1.556 8.770 1.00 0.00 O ATOM 110 CB ARG A 9 -1.352 0.691 11.092 1.00 0.00 C ATOM 111 CG ARG A 9 -0.285 1.659 11.573 1.00 0.00 C ATOM 112 CD ARG A 9 -0.906 2.934 12.102 1.00 0.00 C ATOM 113 NE ARG A 9 0.093 3.950 12.423 1.00 0.00 N ATOM 114 CZ ARG A 9 -0.176 5.250 12.445 1.00 0.00 C ATOM 115 NH1 ARG A 9 -1.399 5.666 12.164 1.00 0.00 N ATOM 116 NH2 ARG A 9 0.772 6.132 12.731 1.00 0.00 N ATOM 0 H ARG A 9 -0.083 0.602 8.916 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.231 -1.123 11.263 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.974 1.189 10.348 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.001 0.433 11.929 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.311 1.189 12.355 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.394 1.894 10.753 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.599 3.332 11.361 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.489 2.707 12.995 1.00 0.00 H new ATOM 0 HE ARG A 9 1.042 3.646 12.641 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.127 4.990 11.933 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.615 6.663 12.179 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.719 5.814 12.937 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.554 7.128 12.745 1.00 0.00 H new ATOM 130 N GLU A 10 -2.627 -2.125 10.884 1.00 0.00 N ATOM 131 CA GLU A 10 -3.725 -2.990 10.484 1.00 0.00 C ATOM 132 C GLU A 10 -5.008 -2.629 11.221 1.00 0.00 C ATOM 133 O GLU A 10 -5.114 -2.813 12.434 1.00 0.00 O ATOM 134 CB GLU A 10 -3.378 -4.459 10.724 1.00 0.00 C ATOM 135 CG GLU A 10 -4.470 -5.411 10.270 1.00 0.00 C ATOM 136 CD GLU A 10 -4.093 -6.861 10.454 1.00 0.00 C ATOM 137 OE1 GLU A 10 -4.288 -7.396 11.564 1.00 0.00 O ATOM 138 OE2 GLU A 10 -3.599 -7.471 9.487 1.00 0.00 O ATOM 0 H GLU A 10 -2.465 -2.076 11.890 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.888 -2.840 9.417 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.454 -4.698 10.198 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.189 -4.613 11.786 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.383 -5.203 10.829 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.692 -5.228 9.219 1.00 0.00 H new ATOM 145 N LEU A 11 -5.968 -2.104 10.480 1.00 0.00 N ATOM 146 CA LEU A 11 -7.281 -1.804 11.016 1.00 0.00 C ATOM 147 C LEU A 11 -8.359 -2.092 9.975 1.00 0.00 C ATOM 148 O LEU A 11 -8.057 -2.255 8.790 1.00 0.00 O ATOM 149 CB LEU A 11 -7.345 -0.353 11.511 1.00 0.00 C ATOM 150 CG LEU A 11 -6.520 0.674 10.721 1.00 0.00 C ATOM 151 CD1 LEU A 11 -7.078 0.875 9.324 1.00 0.00 C ATOM 152 CD2 LEU A 11 -6.469 1.997 11.471 1.00 0.00 C ATOM 0 H LEU A 11 -5.858 -1.875 9.492 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.466 -2.451 11.874 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.387 -0.034 11.502 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.014 -0.331 12.549 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.506 0.286 10.620 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.471 1.608 8.792 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.059 -0.072 8.785 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.105 1.234 9.391 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.881 2.716 10.901 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.481 2.379 11.604 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.008 1.845 12.447 1.00 0.00 H new ATOM 164 N SER A 12 -9.604 -2.158 10.423 1.00 0.00 N ATOM 165 CA SER A 12 -10.721 -2.532 9.564 1.00 0.00 C ATOM 166 C SER A 12 -11.056 -1.447 8.535 1.00 0.00 C ATOM 167 O SER A 12 -10.608 -0.305 8.654 1.00 0.00 O ATOM 168 CB SER A 12 -11.928 -2.838 10.445 1.00 0.00 C ATOM 169 OG SER A 12 -11.699 -2.385 11.774 1.00 0.00 O ATOM 0 H SER A 12 -9.869 -1.955 11.387 1.00 0.00 H new ATOM 0 HA SER A 12 -10.439 -3.415 8.991 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.816 -2.355 10.037 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.122 -3.911 10.448 1.00 0.00 H new ATOM 0 HG SER A 12 -12.323 -1.659 11.984 1.00 0.00 H new ATOM 175 N PHE A 13 -11.860 -1.819 7.539 1.00 0.00 N ATOM 176 CA PHE A 13 -12.209 -0.936 6.423 1.00 0.00 C ATOM 177 C PHE A 13 -12.772 0.417 6.907 1.00 0.00 C ATOM 178 O PHE A 13 -12.252 1.469 6.520 1.00 0.00 O ATOM 179 CB PHE A 13 -13.209 -1.647 5.502 1.00 0.00 C ATOM 180 CG PHE A 13 -13.278 -1.096 4.108 1.00 0.00 C ATOM 181 CD1 PHE A 13 -14.161 -0.076 3.795 1.00 0.00 C ATOM 182 CD2 PHE A 13 -12.472 -1.613 3.110 1.00 0.00 C ATOM 183 CE1 PHE A 13 -14.239 0.417 2.509 1.00 0.00 C ATOM 184 CE2 PHE A 13 -12.542 -1.123 1.821 1.00 0.00 C ATOM 185 CZ PHE A 13 -13.427 -0.107 1.520 1.00 0.00 C ATOM 0 H PHE A 13 -12.289 -2.743 7.482 1.00 0.00 H new ATOM 0 HA PHE A 13 -11.298 -0.714 5.867 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -12.945 -2.703 5.448 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -14.201 -1.589 5.951 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -14.795 0.338 4.565 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -11.780 -2.409 3.342 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -14.933 1.211 2.275 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -11.906 -1.533 1.050 1.00 0.00 H new ATOM 0 HZ PHE A 13 -13.485 0.278 0.513 1.00 0.00 H new ATOM 195 N PRO A 14 -13.827 0.427 7.762 1.00 0.00 N ATOM 196 CA PRO A 14 -14.395 1.681 8.282 1.00 0.00 C ATOM 197 C PRO A 14 -13.365 2.508 9.041 1.00 0.00 C ATOM 198 O PRO A 14 -13.289 3.732 8.887 1.00 0.00 O ATOM 199 CB PRO A 14 -15.502 1.214 9.236 1.00 0.00 C ATOM 200 CG PRO A 14 -15.830 -0.169 8.803 1.00 0.00 C ATOM 201 CD PRO A 14 -14.550 -0.751 8.284 1.00 0.00 C ATOM 0 HA PRO A 14 -14.752 2.325 7.478 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.163 1.233 10.272 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -16.375 1.864 9.174 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -16.218 -0.757 9.635 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -16.599 -0.164 8.030 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.987 -1.252 9.072 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.732 -1.490 7.503 1.00 0.00 H new ATOM 209 N GLU A 15 -12.575 1.827 9.859 1.00 0.00 N ATOM 210 CA GLU A 15 -11.527 2.466 10.642 1.00 0.00 C ATOM 211 C GLU A 15 -10.476 3.095 9.740 1.00 0.00 C ATOM 212 O GLU A 15 -9.940 4.156 10.052 1.00 0.00 O ATOM 213 CB GLU A 15 -10.857 1.448 11.569 1.00 0.00 C ATOM 214 CG GLU A 15 -11.594 1.218 12.885 1.00 0.00 C ATOM 215 CD GLU A 15 -13.039 0.794 12.701 1.00 0.00 C ATOM 216 OE1 GLU A 15 -13.280 -0.364 12.301 1.00 0.00 O ATOM 217 OE2 GLU A 15 -13.941 1.612 12.972 1.00 0.00 O ATOM 0 H GLU A 15 -12.642 0.819 9.998 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.992 3.251 11.239 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.771 0.497 11.043 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.844 1.785 11.787 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.069 0.454 13.458 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.564 2.134 13.474 1.00 0.00 H new ATOM 224 N ALA A 16 -10.198 2.438 8.623 1.00 0.00 N ATOM 225 CA ALA A 16 -9.177 2.895 7.696 1.00 0.00 C ATOM 226 C ALA A 16 -9.516 4.269 7.134 1.00 0.00 C ATOM 227 O ALA A 16 -8.722 5.207 7.241 1.00 0.00 O ATOM 228 CB ALA A 16 -9.002 1.892 6.566 1.00 0.00 C ATOM 0 H ALA A 16 -10.670 1.580 8.337 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.239 2.978 8.245 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.234 2.248 5.879 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.702 0.928 6.978 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.944 1.780 6.030 1.00 0.00 H new ATOM 234 N LEU A 17 -10.707 4.387 6.558 1.00 0.00 N ATOM 235 CA LEU A 17 -11.147 5.646 5.960 1.00 0.00 C ATOM 236 C LEU A 17 -11.203 6.762 6.998 1.00 0.00 C ATOM 237 O LEU A 17 -10.746 7.880 6.748 1.00 0.00 O ATOM 238 CB LEU A 17 -12.515 5.474 5.298 1.00 0.00 C ATOM 239 CG LEU A 17 -12.528 4.547 4.081 1.00 0.00 C ATOM 240 CD1 LEU A 17 -13.935 4.421 3.520 1.00 0.00 C ATOM 241 CD2 LEU A 17 -11.570 5.060 3.012 1.00 0.00 C ATOM 0 H LEU A 17 -11.386 3.628 6.492 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.418 5.926 5.200 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -13.215 5.088 6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.881 6.454 4.994 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.196 3.558 4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -13.924 3.758 2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.596 4.010 4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.296 5.404 3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.591 4.390 2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.874 6.059 2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.559 5.099 3.418 1.00 0.00 H new ATOM 253 N LYS A 18 -11.746 6.446 8.167 1.00 0.00 N ATOM 254 CA LYS A 18 -11.848 7.402 9.250 1.00 0.00 C ATOM 255 C LYS A 18 -10.468 7.873 9.706 1.00 0.00 C ATOM 256 O LYS A 18 -10.247 9.067 9.908 1.00 0.00 O ATOM 257 CB LYS A 18 -12.608 6.768 10.410 1.00 0.00 C ATOM 258 CG LYS A 18 -12.830 7.711 11.571 1.00 0.00 C ATOM 259 CD LYS A 18 -13.944 7.221 12.476 1.00 0.00 C ATOM 260 CE LYS A 18 -13.428 6.449 13.685 1.00 0.00 C ATOM 261 NZ LYS A 18 -12.846 5.135 13.312 1.00 0.00 N ATOM 0 H LYS A 18 -12.124 5.524 8.385 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.390 8.278 8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.574 6.413 10.051 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.058 5.895 10.761 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.908 7.807 12.145 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.076 8.704 11.194 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.529 8.074 12.819 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.617 6.583 11.903 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.673 7.045 14.198 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.245 6.294 14.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.713 4.559 14.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.490 4.643 12.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.927 5.282 12.847 1.00 0.00 H new ATOM 275 N ARG A 19 -9.541 6.935 9.847 1.00 0.00 N ATOM 276 CA ARG A 19 -8.210 7.239 10.315 1.00 0.00 C ATOM 277 C ARG A 19 -7.440 8.064 9.286 1.00 0.00 C ATOM 278 O ARG A 19 -6.692 8.970 9.649 1.00 0.00 O ATOM 279 CB ARG A 19 -7.460 5.948 10.626 1.00 0.00 C ATOM 280 CG ARG A 19 -6.072 6.206 11.142 1.00 0.00 C ATOM 281 CD ARG A 19 -6.116 6.906 12.490 1.00 0.00 C ATOM 282 NE ARG A 19 -4.808 7.398 12.910 1.00 0.00 N ATOM 283 CZ ARG A 19 -4.550 7.880 14.125 1.00 0.00 C ATOM 284 NH1 ARG A 19 -5.502 7.922 15.049 1.00 0.00 N ATOM 285 NH2 ARG A 19 -3.338 8.331 14.409 1.00 0.00 N ATOM 0 H ARG A 19 -9.697 5.949 9.639 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.295 7.832 11.226 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.019 5.374 11.365 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.403 5.337 9.725 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.533 5.263 11.235 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.522 6.818 10.427 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.815 7.741 12.439 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.499 6.215 13.241 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.046 7.371 12.233 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.439 7.584 14.831 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.296 8.293 15.977 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.606 8.309 13.699 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.136 8.701 15.338 1.00 0.00 H new ATOM 299 N ALA A 20 -7.626 7.751 8.008 1.00 0.00 N ATOM 300 CA ALA A 20 -6.997 8.517 6.939 1.00 0.00 C ATOM 301 C ALA A 20 -7.392 9.983 7.035 1.00 0.00 C ATOM 302 O ALA A 20 -6.540 10.868 7.019 1.00 0.00 O ATOM 303 CB ALA A 20 -7.384 7.949 5.583 1.00 0.00 C ATOM 0 H ALA A 20 -8.205 6.975 7.688 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.915 8.443 7.048 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.907 8.531 4.795 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.057 6.911 5.516 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.466 7.996 5.464 1.00 0.00 H new ATOM 309 N GLU A 21 -8.687 10.219 7.187 1.00 0.00 N ATOM 310 CA GLU A 21 -9.226 11.569 7.261 1.00 0.00 C ATOM 311 C GLU A 21 -8.711 12.315 8.495 1.00 0.00 C ATOM 312 O GLU A 21 -8.320 13.479 8.408 1.00 0.00 O ATOM 313 CB GLU A 21 -10.756 11.506 7.277 1.00 0.00 C ATOM 314 CG GLU A 21 -11.434 12.864 7.305 1.00 0.00 C ATOM 315 CD GLU A 21 -11.008 13.753 6.156 1.00 0.00 C ATOM 316 OE1 GLU A 21 -11.154 13.337 4.988 1.00 0.00 O ATOM 317 OE2 GLU A 21 -10.537 14.878 6.411 1.00 0.00 O ATOM 0 H GLU A 21 -9.390 9.484 7.262 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.891 12.121 6.383 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.095 10.961 6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.076 10.935 8.148 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.515 12.727 7.272 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.205 13.361 8.248 1.00 0.00 H new ATOM 324 N VAL A 22 -8.697 11.640 9.639 1.00 0.00 N ATOM 325 CA VAL A 22 -8.347 12.299 10.892 1.00 0.00 C ATOM 326 C VAL A 22 -6.834 12.485 11.048 1.00 0.00 C ATOM 327 O VAL A 22 -6.383 13.501 11.580 1.00 0.00 O ATOM 328 CB VAL A 22 -8.920 11.545 12.120 1.00 0.00 C ATOM 329 CG1 VAL A 22 -8.286 10.173 12.278 1.00 0.00 C ATOM 330 CG2 VAL A 22 -8.750 12.364 13.393 1.00 0.00 C ATOM 0 H VAL A 22 -8.921 10.649 9.725 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.804 13.288 10.850 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.986 11.401 11.945 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.712 9.674 13.148 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.481 9.577 11.386 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.210 10.283 12.413 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.160 11.812 14.238 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.691 12.555 13.564 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.277 13.312 13.289 1.00 0.00 H new ATOM 340 N GLU A 23 -6.044 11.528 10.568 1.00 0.00 N ATOM 341 CA GLU A 23 -4.599 11.589 10.750 1.00 0.00 C ATOM 342 C GLU A 23 -3.963 12.555 9.759 1.00 0.00 C ATOM 343 O GLU A 23 -3.031 13.284 10.105 1.00 0.00 O ATOM 344 CB GLU A 23 -3.977 10.197 10.618 1.00 0.00 C ATOM 345 CG GLU A 23 -2.482 10.168 10.890 1.00 0.00 C ATOM 346 CD GLU A 23 -1.938 8.761 10.992 1.00 0.00 C ATOM 347 OE1 GLU A 23 -2.067 8.152 12.074 1.00 0.00 O ATOM 348 OE2 GLU A 23 -1.384 8.254 9.995 1.00 0.00 O ATOM 0 H GLU A 23 -6.376 10.711 10.056 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.404 11.959 11.756 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.476 9.518 11.310 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.162 9.820 9.612 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.961 10.698 10.093 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.274 10.702 11.817 1.00 0.00 H new ATOM 355 N ASP A 24 -4.485 12.578 8.539 1.00 0.00 N ATOM 356 CA ASP A 24 -4.020 13.522 7.530 1.00 0.00 C ATOM 357 C ASP A 24 -4.867 13.442 6.286 1.00 0.00 C ATOM 358 O ASP A 24 -5.782 14.242 6.081 1.00 0.00 O ATOM 359 CB ASP A 24 -2.548 13.291 7.161 1.00 0.00 C ATOM 360 CG ASP A 24 -2.021 14.374 6.236 1.00 0.00 C ATOM 361 OD1 ASP A 24 -1.937 15.541 6.677 1.00 0.00 O ATOM 362 OD2 ASP A 24 -1.684 14.072 5.073 1.00 0.00 O ATOM 0 H ASP A 24 -5.229 11.955 8.224 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.111 14.517 7.967 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.946 13.264 8.069 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.442 12.319 6.679 1.00 0.00 H new ATOM 367 N LYS A 25 -4.569 12.441 5.497 1.00 0.00 N ATOM 368 CA LYS A 25 -5.175 12.263 4.189 1.00 0.00 C ATOM 369 C LYS A 25 -4.563 11.060 3.480 1.00 0.00 C ATOM 370 O LYS A 25 -3.403 10.720 3.724 1.00 0.00 O ATOM 371 CB LYS A 25 -4.951 13.513 3.330 1.00 0.00 C ATOM 372 CG LYS A 25 -5.533 13.408 1.933 1.00 0.00 C ATOM 373 CD LYS A 25 -5.078 14.550 1.043 1.00 0.00 C ATOM 374 CE LYS A 25 -5.733 15.862 1.434 1.00 0.00 C ATOM 375 NZ LYS A 25 -5.439 16.940 0.455 1.00 0.00 N ATOM 0 H LYS A 25 -3.894 11.717 5.741 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.244 12.098 4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.393 14.373 3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.880 13.703 3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.236 12.459 1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.621 13.405 1.992 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.995 14.651 1.106 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.317 14.319 0.005 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.811 15.722 1.507 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.383 16.163 2.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.904 17.820 0.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.411 17.091 0.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.796 16.664 -0.482 1.00 0.00 H new ATOM 389 N LEU A 26 -5.359 10.426 2.616 1.00 0.00 N ATOM 390 CA LEU A 26 -4.882 9.379 1.711 1.00 0.00 C ATOM 391 C LEU A 26 -4.575 8.081 2.443 1.00 0.00 C ATOM 392 O LEU A 26 -4.063 8.072 3.562 1.00 0.00 O ATOM 393 CB LEU A 26 -3.651 9.849 0.927 1.00 0.00 C ATOM 394 CG LEU A 26 -3.872 11.088 0.058 1.00 0.00 C ATOM 395 CD1 LEU A 26 -2.576 11.520 -0.598 1.00 0.00 C ATOM 396 CD2 LEU A 26 -4.931 10.818 -0.995 1.00 0.00 C ATOM 0 H LEU A 26 -6.355 10.625 2.524 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.692 9.178 1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.847 10.058 1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.311 9.033 0.290 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.219 11.897 0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.755 12.403 -1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.840 11.756 0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.199 10.712 -1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.075 11.711 -1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.610 9.993 -1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.870 10.556 -0.508 1.00 0.00 H new ATOM 408 N LEU A 27 -4.898 6.981 1.796 1.00 0.00 N ATOM 409 CA LEU A 27 -4.677 5.673 2.368 1.00 0.00 C ATOM 410 C LEU A 27 -3.807 4.838 1.439 1.00 0.00 C ATOM 411 O LEU A 27 -4.145 4.633 0.270 1.00 0.00 O ATOM 412 CB LEU A 27 -6.016 4.974 2.603 1.00 0.00 C ATOM 413 CG LEU A 27 -5.970 3.730 3.492 1.00 0.00 C ATOM 414 CD1 LEU A 27 -5.527 4.087 4.903 1.00 0.00 C ATOM 415 CD2 LEU A 27 -7.329 3.054 3.515 1.00 0.00 C ATOM 0 H LEU A 27 -5.318 6.969 0.866 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.164 5.785 3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.705 5.691 3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.432 4.691 1.636 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.240 3.036 3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.502 3.186 5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.532 4.531 4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.229 4.800 5.335 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.285 2.170 4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.073 3.747 3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.606 2.760 2.503 1.00 0.00 H new ATOM 427 N PHE A 28 -2.682 4.376 1.953 1.00 0.00 N ATOM 428 CA PHE A 28 -1.805 3.507 1.195 1.00 0.00 C ATOM 429 C PHE A 28 -2.091 2.060 1.569 1.00 0.00 C ATOM 430 O PHE A 28 -1.662 1.579 2.620 1.00 0.00 O ATOM 431 CB PHE A 28 -0.338 3.859 1.463 1.00 0.00 C ATOM 432 CG PHE A 28 0.637 3.041 0.664 1.00 0.00 C ATOM 433 CD1 PHE A 28 0.518 2.944 -0.712 1.00 0.00 C ATOM 434 CD2 PHE A 28 1.673 2.371 1.292 1.00 0.00 C ATOM 435 CE1 PHE A 28 1.415 2.193 -1.447 1.00 0.00 C ATOM 436 CE2 PHE A 28 2.573 1.620 0.561 1.00 0.00 C ATOM 437 CZ PHE A 28 2.443 1.530 -0.809 1.00 0.00 C ATOM 0 H PHE A 28 -2.355 4.590 2.895 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.990 3.644 0.130 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.181 4.914 1.241 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.129 3.722 2.524 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.285 3.461 -1.216 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.779 2.436 2.365 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.312 2.125 -2.520 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.378 1.103 1.062 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.145 0.942 -1.381 1.00 0.00 H new ATOM 447 N VAL A 29 -2.836 1.382 0.710 1.00 0.00 N ATOM 448 CA VAL A 29 -3.300 0.036 0.996 1.00 0.00 C ATOM 449 C VAL A 29 -2.342 -1.005 0.440 1.00 0.00 C ATOM 450 O VAL A 29 -2.284 -1.232 -0.772 1.00 0.00 O ATOM 451 CB VAL A 29 -4.712 -0.207 0.422 1.00 0.00 C ATOM 452 CG1 VAL A 29 -5.229 -1.576 0.821 1.00 0.00 C ATOM 453 CG2 VAL A 29 -5.671 0.877 0.883 1.00 0.00 C ATOM 0 H VAL A 29 -3.133 1.746 -0.196 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.341 -0.062 2.081 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.646 -0.171 -0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.225 -1.724 0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.558 -2.344 0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.276 -1.645 1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.661 0.688 0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.728 0.874 1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.314 1.848 0.541 1.00 0.00 H new ATOM 463 N ASP A 30 -1.589 -1.627 1.332 1.00 0.00 N ATOM 464 CA ASP A 30 -0.667 -2.684 0.954 1.00 0.00 C ATOM 465 C ASP A 30 -1.399 -4.017 0.907 1.00 0.00 C ATOM 466 O ASP A 30 -1.715 -4.601 1.945 1.00 0.00 O ATOM 467 CB ASP A 30 0.504 -2.761 1.939 1.00 0.00 C ATOM 468 CG ASP A 30 1.476 -3.877 1.600 1.00 0.00 C ATOM 469 OD1 ASP A 30 2.086 -3.830 0.511 1.00 0.00 O ATOM 470 OD2 ASP A 30 1.638 -4.806 2.418 1.00 0.00 O ATOM 0 H ASP A 30 -1.599 -1.416 2.330 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.268 -2.459 -0.035 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.035 -1.809 1.942 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.118 -2.914 2.947 1.00 0.00 H new ATOM 475 N CYS A 31 -1.704 -4.471 -0.297 1.00 0.00 N ATOM 476 CA CYS A 31 -2.381 -5.744 -0.485 1.00 0.00 C ATOM 477 C CYS A 31 -1.368 -6.814 -0.856 1.00 0.00 C ATOM 478 O CYS A 31 -0.677 -6.704 -1.871 1.00 0.00 O ATOM 479 CB CYS A 31 -3.445 -5.629 -1.576 1.00 0.00 C ATOM 480 SG CYS A 31 -4.679 -4.347 -1.263 1.00 0.00 S ATOM 0 H CYS A 31 -1.493 -3.975 -1.163 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.872 -6.022 0.448 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.955 -5.423 -2.528 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.951 -6.589 -1.679 1.00 0.00 H new ATOM 0 HG CYS A 31 -5.649 -4.459 -2.121 1.00 0.00 H new ATOM 486 N PHE A 32 -1.274 -7.835 -0.032 1.00 0.00 N ATOM 487 CA PHE A 32 -0.301 -8.889 -0.245 1.00 0.00 C ATOM 488 C PHE A 32 -0.984 -10.244 -0.319 1.00 0.00 C ATOM 489 O PHE A 32 -2.083 -10.427 0.193 1.00 0.00 O ATOM 490 CB PHE A 32 0.745 -8.885 0.878 1.00 0.00 C ATOM 491 CG PHE A 32 0.161 -9.002 2.261 1.00 0.00 C ATOM 492 CD1 PHE A 32 -0.248 -7.872 2.953 1.00 0.00 C ATOM 493 CD2 PHE A 32 0.020 -10.240 2.870 1.00 0.00 C ATOM 494 CE1 PHE A 32 -0.786 -7.974 4.221 1.00 0.00 C ATOM 495 CE2 PHE A 32 -0.517 -10.347 4.138 1.00 0.00 C ATOM 496 CZ PHE A 32 -0.921 -9.214 4.813 1.00 0.00 C ATOM 0 H PHE A 32 -1.860 -7.959 0.794 1.00 0.00 H new ATOM 0 HA PHE A 32 0.201 -8.703 -1.194 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.439 -9.710 0.717 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.325 -7.964 0.817 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.145 -6.900 2.495 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.334 -11.131 2.347 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.100 -7.086 4.748 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.621 -11.317 4.601 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.343 -9.297 5.804 1.00 0.00 H new ATOM 506 N THR A 33 -0.322 -11.188 -0.955 1.00 0.00 N ATOM 507 CA THR A 33 -0.817 -12.549 -1.028 1.00 0.00 C ATOM 508 C THR A 33 -0.118 -13.401 0.029 1.00 0.00 C ATOM 509 O THR A 33 1.032 -13.130 0.382 1.00 0.00 O ATOM 510 CB THR A 33 -0.568 -13.129 -2.441 1.00 0.00 C ATOM 511 OG1 THR A 33 -1.286 -12.355 -3.410 1.00 0.00 O ATOM 512 CG2 THR A 33 -0.985 -14.590 -2.551 1.00 0.00 C ATOM 0 H THR A 33 0.567 -11.037 -1.432 1.00 0.00 H new ATOM 0 HA THR A 33 -1.890 -12.556 -0.837 1.00 0.00 H new ATOM 0 HB THR A 33 0.504 -13.078 -2.630 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.867 -11.474 -3.501 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.790 -14.949 -3.561 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.415 -15.186 -1.838 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.049 -14.682 -2.332 1.00 0.00 H new ATOM 520 N THR A 34 -0.825 -14.413 0.542 1.00 0.00 N ATOM 521 CA THR A 34 -0.308 -15.299 1.585 1.00 0.00 C ATOM 522 C THR A 34 1.040 -15.906 1.185 1.00 0.00 C ATOM 523 O THR A 34 1.823 -16.348 2.030 1.00 0.00 O ATOM 524 CB THR A 34 -1.314 -16.433 1.848 1.00 0.00 C ATOM 525 OG1 THR A 34 -2.651 -15.938 1.672 1.00 0.00 O ATOM 526 CG2 THR A 34 -1.159 -16.980 3.256 1.00 0.00 C ATOM 0 H THR A 34 -1.774 -14.640 0.244 1.00 0.00 H new ATOM 0 HA THR A 34 -0.165 -14.706 2.488 1.00 0.00 H new ATOM 0 HB THR A 34 -1.119 -17.239 1.140 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.284 -16.544 2.110 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.881 -17.780 3.417 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.150 -17.371 3.386 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.335 -16.182 3.978 1.00 0.00 H new ATOM 534 N TRP A 35 1.291 -15.910 -0.118 1.00 0.00 N ATOM 535 CA TRP A 35 2.528 -16.407 -0.696 1.00 0.00 C ATOM 536 C TRP A 35 3.756 -15.745 -0.080 1.00 0.00 C ATOM 537 O TRP A 35 4.805 -16.377 0.061 1.00 0.00 O ATOM 538 CB TRP A 35 2.504 -16.126 -2.193 1.00 0.00 C ATOM 539 CG TRP A 35 3.693 -16.654 -2.922 1.00 0.00 C ATOM 540 CD1 TRP A 35 4.580 -15.946 -3.672 1.00 0.00 C ATOM 541 CD2 TRP A 35 4.123 -18.007 -2.959 1.00 0.00 C ATOM 542 NE1 TRP A 35 5.522 -16.790 -4.205 1.00 0.00 N ATOM 543 CE2 TRP A 35 5.265 -18.063 -3.770 1.00 0.00 C ATOM 544 CE3 TRP A 35 3.640 -19.177 -2.382 1.00 0.00 C ATOM 545 CZ2 TRP A 35 5.932 -19.254 -4.025 1.00 0.00 C ATOM 546 CZ3 TRP A 35 4.306 -20.361 -2.626 1.00 0.00 C ATOM 547 CH2 TRP A 35 5.439 -20.393 -3.445 1.00 0.00 C ATOM 0 H TRP A 35 0.629 -15.562 -0.812 1.00 0.00 H new ATOM 0 HA TRP A 35 2.597 -17.476 -0.495 1.00 0.00 H new ATOM 0 HB2 TRP A 35 1.602 -16.564 -2.621 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.441 -15.049 -2.350 1.00 0.00 H new ATOM 0 HD1 TRP A 35 4.548 -14.877 -3.825 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.286 -16.515 -4.822 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.761 -19.159 -1.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.807 -19.281 -4.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 3.947 -21.276 -2.178 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.936 -21.335 -3.624 1.00 0.00 H new ATOM 558 N CYS A 36 3.603 -14.476 0.281 1.00 0.00 N ATOM 559 CA CYS A 36 4.701 -13.652 0.763 1.00 0.00 C ATOM 560 C CYS A 36 5.678 -13.342 -0.373 1.00 0.00 C ATOM 561 O CYS A 36 5.507 -12.346 -1.078 1.00 0.00 O ATOM 562 CB CYS A 36 5.416 -14.303 1.957 1.00 0.00 C ATOM 563 SG CYS A 36 6.838 -13.373 2.579 1.00 0.00 S ATOM 0 H CYS A 36 2.708 -13.989 0.247 1.00 0.00 H new ATOM 0 HA CYS A 36 4.283 -12.710 1.118 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.699 -14.431 2.768 1.00 0.00 H new ATOM 0 HB3 CYS A 36 5.749 -15.299 1.666 1.00 0.00 H new ATOM 0 HG CYS A 36 7.365 -14.007 3.584 1.00 0.00 H new ATOM 569 N GLY A 37 6.674 -14.207 -0.565 1.00 0.00 N ATOM 570 CA GLY A 37 7.619 -14.046 -1.660 1.00 0.00 C ATOM 571 C GLY A 37 8.291 -12.682 -1.679 1.00 0.00 C ATOM 572 O GLY A 37 9.024 -12.335 -0.750 1.00 0.00 O ATOM 0 H GLY A 37 6.844 -15.023 0.024 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.384 -14.819 -1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.099 -14.200 -2.605 1.00 0.00 H new ATOM 576 N PRO A 38 8.037 -11.884 -2.735 1.00 0.00 N ATOM 577 CA PRO A 38 8.649 -10.554 -2.920 1.00 0.00 C ATOM 578 C PRO A 38 8.437 -9.612 -1.736 1.00 0.00 C ATOM 579 O PRO A 38 9.224 -8.689 -1.529 1.00 0.00 O ATOM 580 CB PRO A 38 7.940 -10.001 -4.157 1.00 0.00 C ATOM 581 CG PRO A 38 7.454 -11.200 -4.893 1.00 0.00 C ATOM 582 CD PRO A 38 7.133 -12.229 -3.847 1.00 0.00 C ATOM 0 HA PRO A 38 9.732 -10.636 -3.017 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.113 -9.347 -3.879 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.620 -9.411 -4.771 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.573 -10.961 -5.488 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.214 -11.569 -5.582 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.087 -12.180 -3.544 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.312 -13.241 -4.211 1.00 0.00 H new ATOM 590 N CYS A 39 7.378 -9.851 -0.965 1.00 0.00 N ATOM 591 CA CYS A 39 7.039 -9.001 0.173 1.00 0.00 C ATOM 592 C CYS A 39 8.233 -8.828 1.114 1.00 0.00 C ATOM 593 O CYS A 39 8.510 -7.724 1.588 1.00 0.00 O ATOM 594 CB CYS A 39 5.845 -9.592 0.932 1.00 0.00 C ATOM 595 SG CYS A 39 5.294 -8.606 2.345 1.00 0.00 S ATOM 0 H CYS A 39 6.737 -10.631 -1.110 1.00 0.00 H new ATOM 0 HA CYS A 39 6.769 -8.016 -0.208 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.012 -9.709 0.239 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.111 -10.589 1.282 1.00 0.00 H new ATOM 0 HG CYS A 39 4.282 -9.191 2.914 1.00 0.00 H new ATOM 601 N LYS A 40 8.959 -9.913 1.365 1.00 0.00 N ATOM 602 CA LYS A 40 10.086 -9.859 2.278 1.00 0.00 C ATOM 603 C LYS A 40 11.318 -9.254 1.607 1.00 0.00 C ATOM 604 O LYS A 40 12.210 -8.744 2.286 1.00 0.00 O ATOM 605 CB LYS A 40 10.391 -11.243 2.845 1.00 0.00 C ATOM 606 CG LYS A 40 10.906 -12.258 1.838 1.00 0.00 C ATOM 607 CD LYS A 40 11.159 -13.599 2.506 1.00 0.00 C ATOM 608 CE LYS A 40 12.061 -13.447 3.719 1.00 0.00 C ATOM 609 NZ LYS A 40 12.115 -14.682 4.540 1.00 0.00 N ATOM 0 H LYS A 40 8.787 -10.830 0.952 1.00 0.00 H new ATOM 0 HA LYS A 40 9.813 -9.207 3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.129 -11.137 3.640 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.484 -11.638 3.303 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.181 -12.379 1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.828 -11.892 1.385 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.210 -14.042 2.808 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.617 -14.283 1.792 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.067 -13.188 3.390 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.704 -12.621 4.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.742 -14.530 5.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.160 -14.917 4.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.481 -15.466 3.964 1.00 0.00 H new ATOM 623 N ARG A 41 11.369 -9.318 0.281 1.00 0.00 N ATOM 624 CA ARG A 41 12.448 -8.683 -0.472 1.00 0.00 C ATOM 625 C ARG A 41 12.379 -7.170 -0.291 1.00 0.00 C ATOM 626 O ARG A 41 13.378 -6.523 0.029 1.00 0.00 O ATOM 627 CB ARG A 41 12.363 -9.022 -1.963 1.00 0.00 C ATOM 628 CG ARG A 41 13.484 -8.403 -2.778 1.00 0.00 C ATOM 629 CD ARG A 41 13.112 -8.280 -4.243 1.00 0.00 C ATOM 630 NE ARG A 41 12.958 -9.576 -4.903 1.00 0.00 N ATOM 631 CZ ARG A 41 13.650 -9.944 -5.982 1.00 0.00 C ATOM 632 NH1 ARG A 41 14.639 -9.181 -6.436 1.00 0.00 N ATOM 633 NH2 ARG A 41 13.377 -11.096 -6.583 1.00 0.00 N ATOM 0 H ARG A 41 10.679 -9.801 -0.294 1.00 0.00 H new ATOM 0 HA ARG A 41 13.395 -9.062 -0.089 1.00 0.00 H new ATOM 0 HB2 ARG A 41 12.388 -10.105 -2.086 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.405 -8.679 -2.354 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.722 -7.417 -2.379 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.383 -9.012 -2.681 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.180 -7.721 -4.330 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.879 -7.704 -4.760 1.00 0.00 H new ATOM 0 HE ARG A 41 12.283 -10.236 -4.516 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.871 -8.310 -5.959 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.166 -9.466 -7.262 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.639 -11.699 -6.219 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.906 -11.378 -7.408 1.00 0.00 H new ATOM 647 N LEU A 42 11.187 -6.615 -0.488 1.00 0.00 N ATOM 648 CA LEU A 42 10.960 -5.187 -0.284 1.00 0.00 C ATOM 649 C LEU A 42 11.214 -4.826 1.173 1.00 0.00 C ATOM 650 O LEU A 42 11.775 -3.773 1.478 1.00 0.00 O ATOM 651 CB LEU A 42 9.528 -4.790 -0.681 1.00 0.00 C ATOM 652 CG LEU A 42 9.270 -4.595 -2.182 1.00 0.00 C ATOM 653 CD1 LEU A 42 9.464 -5.891 -2.954 1.00 0.00 C ATOM 654 CD2 LEU A 42 7.867 -4.050 -2.403 1.00 0.00 C ATOM 0 H LEU A 42 10.362 -7.133 -0.789 1.00 0.00 H new ATOM 0 HA LEU A 42 11.653 -4.637 -0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.846 -5.556 -0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.274 -3.863 -0.167 1.00 0.00 H new ATOM 0 HG LEU A 42 9.997 -3.875 -2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.273 -5.716 -4.013 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.487 -6.243 -2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.771 -6.644 -2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.693 -3.915 -3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.136 -4.753 -2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.765 -3.091 -1.895 1.00 0.00 H new ATOM 666 N SER A 43 10.817 -5.723 2.063 1.00 0.00 N ATOM 667 CA SER A 43 11.035 -5.548 3.490 1.00 0.00 C ATOM 668 C SER A 43 12.534 -5.494 3.803 1.00 0.00 C ATOM 669 O SER A 43 12.960 -4.855 4.765 1.00 0.00 O ATOM 670 CB SER A 43 10.363 -6.690 4.258 1.00 0.00 C ATOM 671 OG SER A 43 10.225 -6.384 5.635 1.00 0.00 O ATOM 0 H SER A 43 10.337 -6.589 1.817 1.00 0.00 H new ATOM 0 HA SER A 43 10.592 -4.603 3.804 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.381 -6.889 3.829 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.951 -7.601 4.144 1.00 0.00 H new ATOM 0 HG SER A 43 9.911 -5.461 5.735 1.00 0.00 H new ATOM 677 N LYS A 44 13.328 -6.172 2.983 1.00 0.00 N ATOM 678 CA LYS A 44 14.774 -6.208 3.160 1.00 0.00 C ATOM 679 C LYS A 44 15.419 -4.877 2.766 1.00 0.00 C ATOM 680 O LYS A 44 16.119 -4.257 3.565 1.00 0.00 O ATOM 681 CB LYS A 44 15.383 -7.339 2.323 1.00 0.00 C ATOM 682 CG LYS A 44 16.905 -7.359 2.342 1.00 0.00 C ATOM 683 CD LYS A 44 17.443 -7.802 3.690 1.00 0.00 C ATOM 684 CE LYS A 44 17.365 -9.309 3.853 1.00 0.00 C ATOM 685 NZ LYS A 44 18.229 -10.016 2.871 1.00 0.00 N ATOM 0 H LYS A 44 12.991 -6.708 2.183 1.00 0.00 H new ATOM 0 HA LYS A 44 14.972 -6.387 4.217 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.011 -8.294 2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.042 -7.241 1.292 1.00 0.00 H new ATOM 0 HG2 LYS A 44 17.270 -8.031 1.566 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.285 -6.365 2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.478 -7.477 3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.876 -7.319 4.486 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.666 -9.581 4.865 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.332 -9.635 3.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.477 -10.956 3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.718 -10.121 1.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 19.098 -9.466 2.714 1.00 0.00 H new ATOM 699 N VAL A 45 15.182 -4.450 1.530 1.00 0.00 N ATOM 700 CA VAL A 45 15.887 -3.296 0.975 1.00 0.00 C ATOM 701 C VAL A 45 15.158 -1.980 1.253 1.00 0.00 C ATOM 702 O VAL A 45 15.744 -1.037 1.792 1.00 0.00 O ATOM 703 CB VAL A 45 16.083 -3.449 -0.550 1.00 0.00 C ATOM 704 CG1 VAL A 45 16.902 -2.293 -1.110 1.00 0.00 C ATOM 705 CG2 VAL A 45 16.741 -4.782 -0.876 1.00 0.00 C ATOM 0 H VAL A 45 14.511 -4.882 0.895 1.00 0.00 H new ATOM 0 HA VAL A 45 16.857 -3.263 1.471 1.00 0.00 H new ATOM 0 HB VAL A 45 15.101 -3.428 -1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 45 17.027 -2.423 -2.185 1.00 0.00 H new ATOM 0 HG12 VAL A 45 16.385 -1.353 -0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 45 17.881 -2.275 -0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 45 16.870 -4.870 -1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 45 17.714 -4.836 -0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 45 16.110 -5.596 -0.518 1.00 0.00 H new ATOM 715 N VAL A 46 13.880 -1.927 0.906 1.00 0.00 N ATOM 716 CA VAL A 46 13.117 -0.688 0.983 1.00 0.00 C ATOM 717 C VAL A 46 12.842 -0.297 2.430 1.00 0.00 C ATOM 718 O VAL A 46 12.892 0.881 2.787 1.00 0.00 O ATOM 719 CB VAL A 46 11.780 -0.809 0.223 1.00 0.00 C ATOM 720 CG1 VAL A 46 11.034 0.518 0.209 1.00 0.00 C ATOM 721 CG2 VAL A 46 12.017 -1.304 -1.195 1.00 0.00 C ATOM 0 H VAL A 46 13.348 -2.729 0.568 1.00 0.00 H new ATOM 0 HA VAL A 46 13.722 0.089 0.516 1.00 0.00 H new ATOM 0 HB VAL A 46 11.160 -1.537 0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.096 0.402 -0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.825 0.829 1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.646 1.274 -0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.063 -1.384 -1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.662 -0.601 -1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.496 -2.283 -1.163 1.00 0.00 H new ATOM 731 N PHE A 47 12.589 -1.292 3.269 1.00 0.00 N ATOM 732 CA PHE A 47 12.248 -1.047 4.668 1.00 0.00 C ATOM 733 C PHE A 47 13.501 -0.784 5.508 1.00 0.00 C ATOM 734 O PHE A 47 13.556 -1.128 6.687 1.00 0.00 O ATOM 735 CB PHE A 47 11.462 -2.229 5.250 1.00 0.00 C ATOM 736 CG PHE A 47 10.068 -2.395 4.696 1.00 0.00 C ATOM 737 CD1 PHE A 47 9.674 -1.756 3.528 1.00 0.00 C ATOM 738 CD2 PHE A 47 9.150 -3.200 5.350 1.00 0.00 C ATOM 739 CE1 PHE A 47 8.397 -1.917 3.029 1.00 0.00 C ATOM 740 CE2 PHE A 47 7.870 -3.366 4.854 1.00 0.00 C ATOM 741 CZ PHE A 47 7.495 -2.725 3.691 1.00 0.00 C ATOM 0 H PHE A 47 12.613 -2.278 3.007 1.00 0.00 H new ATOM 0 HA PHE A 47 11.621 -0.156 4.703 1.00 0.00 H new ATOM 0 HB2 PHE A 47 12.022 -3.146 5.067 1.00 0.00 H new ATOM 0 HB3 PHE A 47 11.396 -2.107 6.331 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.376 -1.125 3.003 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.438 -3.705 6.260 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.104 -1.411 2.121 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.165 -3.996 5.376 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.497 -2.855 3.299 1.00 0.00 H new ATOM 751 N LYS A 48 14.503 -0.172 4.894 1.00 0.00 N ATOM 752 CA LYS A 48 15.699 0.238 5.608 1.00 0.00 C ATOM 753 C LYS A 48 15.987 1.714 5.347 1.00 0.00 C ATOM 754 O LYS A 48 16.747 2.351 6.077 1.00 0.00 O ATOM 755 CB LYS A 48 16.897 -0.607 5.172 1.00 0.00 C ATOM 756 CG LYS A 48 18.078 -0.529 6.127 1.00 0.00 C ATOM 757 CD LYS A 48 19.311 -1.224 5.570 1.00 0.00 C ATOM 758 CE LYS A 48 19.029 -2.671 5.202 1.00 0.00 C ATOM 759 NZ LYS A 48 20.242 -3.353 4.688 1.00 0.00 N ATOM 0 H LYS A 48 14.509 0.051 3.899 1.00 0.00 H new ATOM 0 HA LYS A 48 15.532 0.089 6.675 1.00 0.00 H new ATOM 0 HB2 LYS A 48 16.583 -1.647 5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 48 17.219 -0.282 4.182 1.00 0.00 H new ATOM 0 HG2 LYS A 48 18.312 0.516 6.329 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.805 -0.984 7.079 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.663 -0.687 4.689 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.113 -1.187 6.307 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.656 -3.203 6.077 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.243 -2.708 4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.011 -4.338 4.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.584 -2.860 3.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.983 -3.340 5.417 1.00 0.00 H new ATOM 773 N ASP A 49 15.367 2.254 4.304 1.00 0.00 N ATOM 774 CA ASP A 49 15.604 3.635 3.910 1.00 0.00 C ATOM 775 C ASP A 49 14.650 4.569 4.641 1.00 0.00 C ATOM 776 O ASP A 49 13.431 4.428 4.543 1.00 0.00 O ATOM 777 CB ASP A 49 15.432 3.799 2.400 1.00 0.00 C ATOM 778 CG ASP A 49 15.903 5.153 1.911 1.00 0.00 C ATOM 779 OD1 ASP A 49 15.140 6.133 2.009 1.00 0.00 O ATOM 780 OD2 ASP A 49 17.051 5.248 1.428 1.00 0.00 O ATOM 0 H ASP A 49 14.697 1.756 3.717 1.00 0.00 H new ATOM 0 HA ASP A 49 16.628 3.894 4.179 1.00 0.00 H new ATOM 0 HB2 ASP A 49 15.989 3.016 1.886 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.382 3.666 2.140 1.00 0.00 H new ATOM 785 N SER A 50 15.214 5.519 5.374 1.00 0.00 N ATOM 786 CA SER A 50 14.424 6.448 6.171 1.00 0.00 C ATOM 787 C SER A 50 13.637 7.419 5.293 1.00 0.00 C ATOM 788 O SER A 50 12.501 7.755 5.607 1.00 0.00 O ATOM 789 CB SER A 50 15.341 7.227 7.113 1.00 0.00 C ATOM 790 OG SER A 50 16.243 6.357 7.781 1.00 0.00 O ATOM 0 H SER A 50 16.221 5.667 5.433 1.00 0.00 H new ATOM 0 HA SER A 50 13.706 5.867 6.750 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.901 7.972 6.548 1.00 0.00 H new ATOM 0 HB3 SER A 50 14.741 7.767 7.846 1.00 0.00 H new ATOM 0 HG SER A 50 16.820 6.879 8.377 1.00 0.00 H new ATOM 796 N LEU A 51 14.238 7.853 4.189 1.00 0.00 N ATOM 797 CA LEU A 51 13.623 8.861 3.330 1.00 0.00 C ATOM 798 C LEU A 51 12.397 8.291 2.630 1.00 0.00 C ATOM 799 O LEU A 51 11.318 8.887 2.670 1.00 0.00 O ATOM 800 CB LEU A 51 14.641 9.383 2.305 1.00 0.00 C ATOM 801 CG LEU A 51 14.254 10.676 1.571 1.00 0.00 C ATOM 802 CD1 LEU A 51 15.497 11.365 1.030 1.00 0.00 C ATOM 803 CD2 LEU A 51 13.285 10.397 0.429 1.00 0.00 C ATOM 0 H LEU A 51 15.148 7.524 3.868 1.00 0.00 H new ATOM 0 HA LEU A 51 13.302 9.697 3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.589 9.549 2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 51 14.811 8.604 1.562 1.00 0.00 H new ATOM 0 HG LEU A 51 13.759 11.330 2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 51 15.210 12.280 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.166 11.610 1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 51 16.008 10.700 0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 51 13.031 11.332 -0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.751 9.719 -0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.378 9.939 0.825 1.00 0.00 H new ATOM 815 N VAL A 52 12.563 7.134 1.995 1.00 0.00 N ATOM 816 CA VAL A 52 11.458 6.494 1.288 1.00 0.00 C ATOM 817 C VAL A 52 10.333 6.152 2.262 1.00 0.00 C ATOM 818 O VAL A 52 9.151 6.331 1.958 1.00 0.00 O ATOM 819 CB VAL A 52 11.915 5.215 0.544 1.00 0.00 C ATOM 820 CG1 VAL A 52 10.748 4.556 -0.175 1.00 0.00 C ATOM 821 CG2 VAL A 52 13.024 5.538 -0.445 1.00 0.00 C ATOM 0 H VAL A 52 13.445 6.624 1.955 1.00 0.00 H new ATOM 0 HA VAL A 52 11.093 7.202 0.544 1.00 0.00 H new ATOM 0 HB VAL A 52 12.300 4.516 1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.096 3.660 -0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.981 4.283 0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.329 5.252 -0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.331 4.626 -0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.661 6.260 -1.176 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.876 5.959 0.089 1.00 0.00 H new ATOM 831 N ALA A 53 10.713 5.684 3.444 1.00 0.00 N ATOM 832 CA ALA A 53 9.749 5.360 4.483 1.00 0.00 C ATOM 833 C ALA A 53 9.010 6.606 4.950 1.00 0.00 C ATOM 834 O ALA A 53 7.784 6.610 5.049 1.00 0.00 O ATOM 835 CB ALA A 53 10.444 4.692 5.656 1.00 0.00 C ATOM 0 H ALA A 53 11.685 5.521 3.706 1.00 0.00 H new ATOM 0 HA ALA A 53 9.018 4.668 4.064 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.710 4.455 6.427 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.926 3.774 5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.196 5.367 6.066 1.00 0.00 H new ATOM 841 N ASP A 54 9.768 7.664 5.218 1.00 0.00 N ATOM 842 CA ASP A 54 9.207 8.923 5.703 1.00 0.00 C ATOM 843 C ASP A 54 8.196 9.488 4.721 1.00 0.00 C ATOM 844 O ASP A 54 7.111 9.911 5.112 1.00 0.00 O ATOM 845 CB ASP A 54 10.317 9.947 5.936 1.00 0.00 C ATOM 846 CG ASP A 54 9.788 11.274 6.440 1.00 0.00 C ATOM 847 OD1 ASP A 54 9.583 11.403 7.666 1.00 0.00 O ATOM 848 OD2 ASP A 54 9.592 12.197 5.623 1.00 0.00 O ATOM 0 H ASP A 54 10.782 7.675 5.107 1.00 0.00 H new ATOM 0 HA ASP A 54 8.700 8.717 6.646 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.030 9.547 6.657 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.861 10.107 5.005 1.00 0.00 H new ATOM 853 N TYR A 55 8.555 9.482 3.443 1.00 0.00 N ATOM 854 CA TYR A 55 7.691 10.023 2.403 1.00 0.00 C ATOM 855 C TYR A 55 6.345 9.305 2.402 1.00 0.00 C ATOM 856 O TYR A 55 5.291 9.938 2.315 1.00 0.00 O ATOM 857 CB TYR A 55 8.359 9.889 1.031 1.00 0.00 C ATOM 858 CG TYR A 55 7.702 10.724 -0.045 1.00 0.00 C ATOM 859 CD1 TYR A 55 7.927 12.090 -0.110 1.00 0.00 C ATOM 860 CD2 TYR A 55 6.860 10.150 -0.992 1.00 0.00 C ATOM 861 CE1 TYR A 55 7.333 12.866 -1.085 1.00 0.00 C ATOM 862 CE2 TYR A 55 6.262 10.920 -1.973 1.00 0.00 C ATOM 863 CZ TYR A 55 6.503 12.277 -2.014 1.00 0.00 C ATOM 864 OH TYR A 55 5.913 13.053 -2.984 1.00 0.00 O ATOM 0 H TYR A 55 9.440 9.108 3.102 1.00 0.00 H new ATOM 0 HA TYR A 55 7.524 11.080 2.610 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.406 10.179 1.116 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.342 8.842 0.728 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.578 12.555 0.615 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.670 9.087 -0.961 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.518 13.929 -1.120 1.00 0.00 H new ATOM 0 HE2 TYR A 55 5.611 10.461 -2.702 1.00 0.00 H new ATOM 0 HH TYR A 55 6.494 13.815 -3.191 1.00 0.00 H new ATOM 874 N PHE A 56 6.390 7.984 2.521 1.00 0.00 N ATOM 875 CA PHE A 56 5.181 7.171 2.544 1.00 0.00 C ATOM 876 C PHE A 56 4.393 7.391 3.832 1.00 0.00 C ATOM 877 O PHE A 56 3.203 7.700 3.794 1.00 0.00 O ATOM 878 CB PHE A 56 5.535 5.686 2.402 1.00 0.00 C ATOM 879 CG PHE A 56 5.849 5.252 0.996 1.00 0.00 C ATOM 880 CD1 PHE A 56 6.578 6.064 0.141 1.00 0.00 C ATOM 881 CD2 PHE A 56 5.413 4.022 0.530 1.00 0.00 C ATOM 882 CE1 PHE A 56 6.864 5.658 -1.147 1.00 0.00 C ATOM 883 CE2 PHE A 56 5.697 3.610 -0.756 1.00 0.00 C ATOM 884 CZ PHE A 56 6.424 4.428 -1.597 1.00 0.00 C ATOM 0 H PHE A 56 7.256 7.451 2.603 1.00 0.00 H new ATOM 0 HA PHE A 56 4.559 7.476 1.703 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.394 5.468 3.037 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.703 5.090 2.776 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.926 7.026 0.487 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.843 3.377 1.182 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.432 6.302 -1.803 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.351 2.648 -1.104 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.648 4.108 -2.604 1.00 0.00 H new ATOM 894 N ASN A 57 5.071 7.253 4.966 1.00 0.00 N ATOM 895 CA ASN A 57 4.418 7.297 6.270 1.00 0.00 C ATOM 896 C ASN A 57 3.837 8.675 6.575 1.00 0.00 C ATOM 897 O ASN A 57 2.852 8.792 7.304 1.00 0.00 O ATOM 898 CB ASN A 57 5.405 6.918 7.379 1.00 0.00 C ATOM 899 CG ASN A 57 5.919 5.494 7.276 1.00 0.00 C ATOM 900 OD1 ASN A 57 5.243 4.605 6.758 1.00 0.00 O ATOM 901 ND2 ASN A 57 7.123 5.269 7.781 1.00 0.00 N ATOM 0 H ASN A 57 6.080 7.109 5.008 1.00 0.00 H new ATOM 0 HA ASN A 57 3.600 6.578 6.236 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.252 7.604 7.350 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.920 7.051 8.346 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.522 4.331 7.749 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.651 6.034 8.202 1.00 0.00 H new ATOM 908 N ARG A 58 4.465 9.719 6.054 1.00 0.00 N ATOM 909 CA ARG A 58 4.029 11.075 6.351 1.00 0.00 C ATOM 910 C ARG A 58 2.971 11.564 5.364 1.00 0.00 C ATOM 911 O ARG A 58 1.977 12.165 5.766 1.00 0.00 O ATOM 912 CB ARG A 58 5.216 12.036 6.355 1.00 0.00 C ATOM 913 CG ARG A 58 4.885 13.391 6.952 1.00 0.00 C ATOM 914 CD ARG A 58 6.075 14.329 6.907 1.00 0.00 C ATOM 915 NE ARG A 58 5.834 15.538 7.689 1.00 0.00 N ATOM 916 CZ ARG A 58 6.304 16.739 7.376 1.00 0.00 C ATOM 917 NH1 ARG A 58 6.965 16.923 6.238 1.00 0.00 N ATOM 918 NH2 ARG A 58 6.088 17.760 8.194 1.00 0.00 N ATOM 0 H ARG A 58 5.269 9.655 5.430 1.00 0.00 H new ATOM 0 HA ARG A 58 3.579 11.055 7.344 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.036 11.589 6.917 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.568 12.173 5.333 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.051 13.835 6.408 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.560 13.264 7.985 1.00 0.00 H new ATOM 0 HD2 ARG A 58 6.958 13.817 7.290 1.00 0.00 H new ATOM 0 HD3 ARG A 58 6.287 14.600 5.873 1.00 0.00 H new ATOM 0 HE ARG A 58 5.266 15.454 8.532 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.113 16.140 5.602 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.325 17.848 6.001 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.564 17.620 9.057 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.446 18.686 7.960 1.00 0.00 H new ATOM 932 N HIS A 59 3.184 11.308 4.076 1.00 0.00 N ATOM 933 CA HIS A 59 2.310 11.861 3.038 1.00 0.00 C ATOM 934 C HIS A 59 1.054 11.018 2.840 1.00 0.00 C ATOM 935 O HIS A 59 0.137 11.426 2.125 1.00 0.00 O ATOM 936 CB HIS A 59 3.055 11.999 1.705 1.00 0.00 C ATOM 937 CG HIS A 59 4.061 13.109 1.676 1.00 0.00 C ATOM 938 ND1 HIS A 59 3.880 14.274 0.960 1.00 0.00 N ATOM 939 CD2 HIS A 59 5.272 13.225 2.273 1.00 0.00 C ATOM 940 CE1 HIS A 59 4.935 15.051 1.114 1.00 0.00 C ATOM 941 NE2 HIS A 59 5.792 14.440 1.907 1.00 0.00 N ATOM 0 H HIS A 59 3.946 10.727 3.725 1.00 0.00 H new ATOM 0 HA HIS A 59 2.005 12.850 3.380 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.561 11.059 1.486 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.327 12.162 0.910 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.741 12.496 2.917 1.00 0.00 H new ATOM 0 HE1 HIS A 59 5.073 16.024 0.666 1.00 0.00 H new ATOM 0 HE2 HIS A 59 6.696 14.811 2.201 1.00 0.00 H new ATOM 950 N PHE A 60 1.021 9.845 3.453 1.00 0.00 N ATOM 951 CA PHE A 60 -0.130 8.958 3.351 1.00 0.00 C ATOM 952 C PHE A 60 -0.391 8.303 4.705 1.00 0.00 C ATOM 953 O PHE A 60 0.421 8.418 5.624 1.00 0.00 O ATOM 954 CB PHE A 60 0.120 7.850 2.313 1.00 0.00 C ATOM 955 CG PHE A 60 0.499 8.331 0.939 1.00 0.00 C ATOM 956 CD1 PHE A 60 1.829 8.530 0.600 1.00 0.00 C ATOM 957 CD2 PHE A 60 -0.473 8.569 -0.018 1.00 0.00 C ATOM 958 CE1 PHE A 60 2.180 8.962 -0.665 1.00 0.00 C ATOM 959 CE2 PHE A 60 -0.128 8.999 -1.286 1.00 0.00 C ATOM 960 CZ PHE A 60 1.201 9.196 -1.608 1.00 0.00 C ATOM 0 H PHE A 60 1.781 9.483 4.029 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.990 9.552 3.040 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.912 7.199 2.684 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.780 7.241 2.231 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.600 8.345 1.334 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.513 8.417 0.229 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.219 9.116 -0.915 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.896 9.181 -2.023 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.473 9.533 -2.597 1.00 0.00 H new ATOM 970 N VAL A 61 -1.523 7.634 4.831 1.00 0.00 N ATOM 971 CA VAL A 61 -1.785 6.788 5.982 1.00 0.00 C ATOM 972 C VAL A 61 -1.640 5.327 5.567 1.00 0.00 C ATOM 973 O VAL A 61 -2.325 4.868 4.655 1.00 0.00 O ATOM 974 CB VAL A 61 -3.190 7.052 6.570 1.00 0.00 C ATOM 975 CG1 VAL A 61 -3.506 6.085 7.702 1.00 0.00 C ATOM 976 CG2 VAL A 61 -3.290 8.494 7.054 1.00 0.00 C ATOM 0 H VAL A 61 -2.279 7.660 4.147 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.062 7.021 6.763 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.926 6.890 5.782 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.501 6.297 8.094 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.474 5.062 7.326 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.770 6.203 8.497 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.283 8.671 7.467 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.540 8.672 7.824 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.119 9.171 6.217 1.00 0.00 H new ATOM 986 N ASN A 62 -0.738 4.606 6.221 1.00 0.00 N ATOM 987 CA ASN A 62 -0.383 3.259 5.793 1.00 0.00 C ATOM 988 C ASN A 62 -1.328 2.218 6.372 1.00 0.00 C ATOM 989 O ASN A 62 -1.773 2.327 7.517 1.00 0.00 O ATOM 990 CB ASN A 62 1.059 2.930 6.184 1.00 0.00 C ATOM 991 CG ASN A 62 1.343 3.168 7.654 1.00 0.00 C ATOM 992 OD1 ASN A 62 1.127 2.297 8.493 1.00 0.00 O ATOM 993 ND2 ASN A 62 1.848 4.350 7.973 1.00 0.00 N ATOM 0 H ASN A 62 -0.239 4.931 7.049 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.473 3.230 4.707 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.266 1.887 5.944 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.739 3.536 5.585 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.072 4.563 8.945 1.00 0.00 H new ATOM 0 HD22 ASN A 62 2.013 5.047 7.247 1.00 0.00 H new ATOM 1000 N LEU A 63 -1.633 1.215 5.566 1.00 0.00 N ATOM 1001 CA LEU A 63 -2.509 0.135 5.975 1.00 0.00 C ATOM 1002 C LEU A 63 -2.140 -1.155 5.259 1.00 0.00 C ATOM 1003 O LEU A 63 -2.061 -1.190 4.033 1.00 0.00 O ATOM 1004 CB LEU A 63 -3.963 0.494 5.657 1.00 0.00 C ATOM 1005 CG LEU A 63 -4.968 -0.653 5.805 1.00 0.00 C ATOM 1006 CD1 LEU A 63 -5.062 -1.108 7.251 1.00 0.00 C ATOM 1007 CD2 LEU A 63 -6.332 -0.234 5.286 1.00 0.00 C ATOM 0 H LEU A 63 -1.280 1.128 4.613 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.394 -0.012 7.049 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.270 1.310 6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.012 0.869 4.635 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.615 -1.494 5.209 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.782 -1.923 7.330 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.085 -1.453 7.588 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.387 -0.275 7.874 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.034 -1.060 5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.689 0.625 5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.254 0.034 4.232 1.00 0.00 H new ATOM 1019 N LYS A 64 -1.907 -2.211 6.023 1.00 0.00 N ATOM 1020 CA LYS A 64 -1.722 -3.526 5.438 1.00 0.00 C ATOM 1021 C LYS A 64 -3.071 -4.230 5.363 1.00 0.00 C ATOM 1022 O LYS A 64 -3.701 -4.510 6.387 1.00 0.00 O ATOM 1023 CB LYS A 64 -0.718 -4.364 6.245 1.00 0.00 C ATOM 1024 CG LYS A 64 -1.055 -4.486 7.723 1.00 0.00 C ATOM 1025 CD LYS A 64 -0.206 -5.544 8.410 1.00 0.00 C ATOM 1026 CE LYS A 64 1.271 -5.178 8.422 1.00 0.00 C ATOM 1027 NZ LYS A 64 2.082 -6.210 9.119 1.00 0.00 N ATOM 0 H LYS A 64 -1.842 -2.182 7.041 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.312 -3.411 4.435 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.665 -5.363 5.812 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.272 -3.920 6.145 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.902 -3.524 8.211 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.110 -4.737 7.836 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.554 -5.677 9.434 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.338 -6.499 7.902 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.627 -5.064 7.398 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.404 -4.215 8.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.083 -5.930 9.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.757 -6.300 10.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.973 -7.123 8.633 1.00 0.00 H new ATOM 1041 N MET A 65 -3.518 -4.515 4.157 1.00 0.00 N ATOM 1042 CA MET A 65 -4.834 -5.091 3.967 1.00 0.00 C ATOM 1043 C MET A 65 -4.729 -6.573 3.685 1.00 0.00 C ATOM 1044 O MET A 65 -3.920 -7.005 2.863 1.00 0.00 O ATOM 1045 CB MET A 65 -5.578 -4.390 2.832 1.00 0.00 C ATOM 1046 CG MET A 65 -6.974 -4.941 2.596 1.00 0.00 C ATOM 1047 SD MET A 65 -8.026 -4.823 4.059 1.00 0.00 S ATOM 1048 CE MET A 65 -9.463 -5.740 3.509 1.00 0.00 C ATOM 0 H MET A 65 -2.992 -4.358 3.297 1.00 0.00 H new ATOM 0 HA MET A 65 -5.400 -4.948 4.888 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.648 -3.326 3.056 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.998 -4.485 1.914 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.440 -4.398 1.774 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.901 -5.984 2.289 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.972 -6.171 4.371 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.143 -5.070 2.984 1.00 0.00 H new ATOM 0 HE3 MET A 65 -9.150 -6.539 2.837 1.00 0.00 H new ATOM 1058 N ASP A 66 -5.543 -7.348 4.379 1.00 0.00 N ATOM 1059 CA ASP A 66 -5.563 -8.783 4.185 1.00 0.00 C ATOM 1060 C ASP A 66 -6.231 -9.122 2.875 1.00 0.00 C ATOM 1061 O ASP A 66 -7.028 -8.348 2.340 1.00 0.00 O ATOM 1062 CB ASP A 66 -6.318 -9.498 5.285 1.00 0.00 C ATOM 1063 CG ASP A 66 -5.637 -10.779 5.708 1.00 0.00 C ATOM 1064 OD1 ASP A 66 -5.719 -11.774 4.952 1.00 0.00 O ATOM 1065 OD2 ASP A 66 -5.025 -10.798 6.798 1.00 0.00 O ATOM 0 H ASP A 66 -6.198 -7.006 5.082 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.524 -9.112 4.193 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.412 -8.837 6.147 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.328 -9.722 4.943 1.00 0.00 H new ATOM 1070 N MET A 67 -5.906 -10.283 2.373 1.00 0.00 N ATOM 1071 CA MET A 67 -6.439 -10.755 1.117 1.00 0.00 C ATOM 1072 C MET A 67 -7.025 -12.150 1.289 1.00 0.00 C ATOM 1073 O MET A 67 -7.640 -12.703 0.375 1.00 0.00 O ATOM 1074 CB MET A 67 -5.306 -10.772 0.111 1.00 0.00 C ATOM 1075 CG MET A 67 -4.878 -9.386 -0.358 1.00 0.00 C ATOM 1076 SD MET A 67 -6.003 -8.660 -1.566 1.00 0.00 S ATOM 1077 CE MET A 67 -5.674 -9.699 -2.985 1.00 0.00 C ATOM 0 H MET A 67 -5.262 -10.933 2.823 1.00 0.00 H new ATOM 0 HA MET A 67 -7.238 -10.100 0.769 1.00 0.00 H new ATOM 0 HB2 MET A 67 -4.447 -11.277 0.554 1.00 0.00 H new ATOM 0 HB3 MET A 67 -5.610 -11.360 -0.755 1.00 0.00 H new ATOM 0 HG2 MET A 67 -4.807 -8.724 0.505 1.00 0.00 H new ATOM 0 HG3 MET A 67 -3.881 -9.450 -0.793 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.095 -9.238 -3.879 1.00 0.00 H new ATOM 0 HE2 MET A 67 -4.597 -9.815 -3.109 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.129 -10.678 -2.833 1.00 0.00 H new ATOM 1087 N GLU A 68 -6.837 -12.710 2.476 1.00 0.00 N ATOM 1088 CA GLU A 68 -7.308 -14.047 2.775 1.00 0.00 C ATOM 1089 C GLU A 68 -8.366 -13.982 3.870 1.00 0.00 C ATOM 1090 O GLU A 68 -9.312 -14.773 3.891 1.00 0.00 O ATOM 1091 CB GLU A 68 -6.130 -14.930 3.196 1.00 0.00 C ATOM 1092 CG GLU A 68 -6.462 -16.409 3.254 1.00 0.00 C ATOM 1093 CD GLU A 68 -5.242 -17.271 3.497 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -4.560 -17.632 2.512 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -4.965 -17.608 4.666 1.00 0.00 O ATOM 0 H GLU A 68 -6.357 -12.251 3.250 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.760 -14.486 1.886 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.307 -14.779 2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.779 -14.608 4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.189 -16.583 4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.933 -16.709 2.318 1.00 0.00 H new ATOM 1102 N LYS A 69 -8.202 -13.022 4.766 1.00 0.00 N ATOM 1103 CA LYS A 69 -9.173 -12.769 5.821 1.00 0.00 C ATOM 1104 C LYS A 69 -9.700 -11.339 5.735 1.00 0.00 C ATOM 1105 O LYS A 69 -9.273 -10.562 4.881 1.00 0.00 O ATOM 1106 CB LYS A 69 -8.536 -12.985 7.194 1.00 0.00 C ATOM 1107 CG LYS A 69 -8.247 -14.437 7.534 1.00 0.00 C ATOM 1108 CD LYS A 69 -7.554 -14.545 8.883 1.00 0.00 C ATOM 1109 CE LYS A 69 -7.527 -15.974 9.398 1.00 0.00 C ATOM 1110 NZ LYS A 69 -8.895 -16.505 9.631 1.00 0.00 N ATOM 0 H LYS A 69 -7.396 -12.398 4.784 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.001 -13.466 5.690 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.604 -12.422 7.240 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.197 -12.571 7.956 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.178 -15.004 7.551 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.619 -14.879 6.760 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.534 -14.172 8.797 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.066 -13.909 9.605 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.009 -16.609 8.680 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.959 -16.014 10.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.847 -17.317 10.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.489 -15.762 10.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.308 -16.809 8.726 1.00 0.00 H new ATOM 1124 N GLY A 70 -10.645 -11.014 6.613 1.00 0.00 N ATOM 1125 CA GLY A 70 -11.099 -9.641 6.772 1.00 0.00 C ATOM 1126 C GLY A 70 -11.698 -9.038 5.514 1.00 0.00 C ATOM 1127 O GLY A 70 -11.323 -7.930 5.125 1.00 0.00 O ATOM 0 H GLY A 70 -11.110 -11.685 7.224 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.842 -9.605 7.569 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.258 -9.026 7.092 1.00 0.00 H new ATOM 1131 N GLU A 71 -12.618 -9.769 4.879 1.00 0.00 N ATOM 1132 CA GLU A 71 -13.357 -9.274 3.710 1.00 0.00 C ATOM 1133 C GLU A 71 -12.424 -9.025 2.519 1.00 0.00 C ATOM 1134 O GLU A 71 -12.784 -8.320 1.571 1.00 0.00 O ATOM 1135 CB GLU A 71 -14.114 -7.982 4.057 1.00 0.00 C ATOM 1136 CG GLU A 71 -14.998 -8.087 5.293 1.00 0.00 C ATOM 1137 CD GLU A 71 -16.076 -9.139 5.162 1.00 0.00 C ATOM 1138 OE1 GLU A 71 -17.133 -8.840 4.573 1.00 0.00 O ATOM 1139 OE2 GLU A 71 -15.878 -10.268 5.656 1.00 0.00 O ATOM 0 H GLU A 71 -12.872 -10.717 5.158 1.00 0.00 H new ATOM 0 HA GLU A 71 -14.074 -10.045 3.427 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.391 -7.181 4.209 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.732 -7.697 3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.377 -8.317 6.158 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -15.463 -7.120 5.483 1.00 0.00 H new ATOM 1146 N GLY A 72 -11.241 -9.633 2.562 1.00 0.00 N ATOM 1147 CA GLY A 72 -10.251 -9.448 1.513 1.00 0.00 C ATOM 1148 C GLY A 72 -10.753 -9.873 0.147 1.00 0.00 C ATOM 1149 O GLY A 72 -10.367 -9.295 -0.870 1.00 0.00 O ATOM 0 H GLY A 72 -10.948 -10.257 3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.959 -8.398 1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.356 -10.020 1.760 1.00 0.00 H new ATOM 1153 N VAL A 73 -11.623 -10.880 0.130 1.00 0.00 N ATOM 1154 CA VAL A 73 -12.156 -11.434 -1.114 1.00 0.00 C ATOM 1155 C VAL A 73 -12.803 -10.371 -2.009 1.00 0.00 C ATOM 1156 O VAL A 73 -12.693 -10.443 -3.235 1.00 0.00 O ATOM 1157 CB VAL A 73 -13.180 -12.560 -0.845 1.00 0.00 C ATOM 1158 CG1 VAL A 73 -12.488 -13.786 -0.272 1.00 0.00 C ATOM 1159 CG2 VAL A 73 -14.285 -12.089 0.093 1.00 0.00 C ATOM 0 H VAL A 73 -11.977 -11.333 0.972 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.295 -11.845 -1.641 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.637 -12.829 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -13.225 -14.568 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.743 -14.148 -0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.999 -13.523 0.666 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.990 -12.903 0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.849 -11.782 1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.808 -11.244 -0.356 1.00 0.00 H new ATOM 1169 N GLU A 74 -13.459 -9.382 -1.410 1.00 0.00 N ATOM 1170 CA GLU A 74 -14.130 -8.349 -2.190 1.00 0.00 C ATOM 1171 C GLU A 74 -13.123 -7.448 -2.891 1.00 0.00 C ATOM 1172 O GLU A 74 -13.245 -7.191 -4.086 1.00 0.00 O ATOM 1173 CB GLU A 74 -15.069 -7.516 -1.319 1.00 0.00 C ATOM 1174 CG GLU A 74 -16.339 -8.252 -0.931 1.00 0.00 C ATOM 1175 CD GLU A 74 -17.367 -7.334 -0.306 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -18.052 -6.602 -1.057 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -17.497 -7.335 0.935 1.00 0.00 O ATOM 0 H GLU A 74 -13.540 -9.274 -0.399 1.00 0.00 H new ATOM 0 HA GLU A 74 -14.727 -8.854 -2.949 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.542 -7.214 -0.414 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -15.335 -6.604 -1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.767 -8.724 -1.815 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -16.094 -9.050 -0.230 1.00 0.00 H new ATOM 1184 N LEU A 75 -12.117 -6.987 -2.161 1.00 0.00 N ATOM 1185 CA LEU A 75 -11.105 -6.115 -2.744 1.00 0.00 C ATOM 1186 C LEU A 75 -10.286 -6.880 -3.777 1.00 0.00 C ATOM 1187 O LEU A 75 -9.898 -6.335 -4.810 1.00 0.00 O ATOM 1188 CB LEU A 75 -10.188 -5.540 -1.659 1.00 0.00 C ATOM 1189 CG LEU A 75 -10.887 -4.701 -0.583 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -9.862 -4.085 0.357 1.00 0.00 C ATOM 1191 CD2 LEU A 75 -11.746 -3.619 -1.216 1.00 0.00 C ATOM 0 H LEU A 75 -11.979 -7.199 -1.173 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.611 -5.285 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.669 -6.365 -1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.428 -4.924 -2.139 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.538 -5.358 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.374 -3.492 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.290 -4.877 0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.187 -3.444 -0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.232 -3.036 -0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -11.119 -2.963 -1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.504 -4.080 -1.849 1.00 0.00 H new ATOM 1203 N ARG A 76 -10.060 -8.155 -3.496 1.00 0.00 N ATOM 1204 CA ARG A 76 -9.331 -9.039 -4.397 1.00 0.00 C ATOM 1205 C ARG A 76 -10.020 -9.119 -5.754 1.00 0.00 C ATOM 1206 O ARG A 76 -9.393 -8.947 -6.801 1.00 0.00 O ATOM 1207 CB ARG A 76 -9.251 -10.435 -3.776 1.00 0.00 C ATOM 1208 CG ARG A 76 -8.370 -11.401 -4.547 1.00 0.00 C ATOM 1209 CD ARG A 76 -8.237 -12.739 -3.838 1.00 0.00 C ATOM 1210 NE ARG A 76 -9.510 -13.453 -3.755 1.00 0.00 N ATOM 1211 CZ ARG A 76 -9.684 -14.581 -3.070 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -8.667 -15.138 -2.421 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -10.880 -15.156 -3.037 1.00 0.00 N ATOM 0 H ARG A 76 -10.376 -8.607 -2.638 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.328 -8.639 -4.546 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.873 -10.348 -2.757 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.257 -10.850 -3.709 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.787 -11.558 -5.542 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.381 -10.962 -4.682 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.511 -13.357 -4.366 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.847 -12.578 -2.833 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.312 -13.064 -4.251 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.746 -14.701 -2.446 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.808 -16.002 -1.898 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.663 -14.733 -3.536 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.016 -16.020 -2.513 1.00 0.00 H new ATOM 1227 N LYS A 77 -11.316 -9.361 -5.717 1.00 0.00 N ATOM 1228 CA LYS A 77 -12.104 -9.554 -6.920 1.00 0.00 C ATOM 1229 C LYS A 77 -12.397 -8.225 -7.607 1.00 0.00 C ATOM 1230 O LYS A 77 -12.380 -8.130 -8.834 1.00 0.00 O ATOM 1231 CB LYS A 77 -13.410 -10.259 -6.550 1.00 0.00 C ATOM 1232 CG LYS A 77 -14.317 -10.569 -7.725 1.00 0.00 C ATOM 1233 CD LYS A 77 -15.615 -11.190 -7.244 1.00 0.00 C ATOM 1234 CE LYS A 77 -16.539 -11.543 -8.394 1.00 0.00 C ATOM 1235 NZ LYS A 77 -17.845 -12.055 -7.903 1.00 0.00 N ATOM 0 H LYS A 77 -11.853 -9.429 -4.852 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.537 -10.168 -7.620 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -13.171 -11.191 -6.037 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -13.956 -9.636 -5.842 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -14.528 -9.655 -8.280 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.813 -11.250 -8.411 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -15.395 -12.088 -6.668 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.121 -10.497 -6.572 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -16.702 -10.662 -9.015 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -16.066 -12.295 -9.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -18.454 -12.287 -8.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -17.690 -12.909 -7.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -18.307 -11.327 -7.321 1.00 0.00 H new ATOM 1249 N LYS A 78 -12.644 -7.195 -6.809 1.00 0.00 N ATOM 1250 CA LYS A 78 -13.105 -5.917 -7.341 1.00 0.00 C ATOM 1251 C LYS A 78 -11.958 -5.081 -7.902 1.00 0.00 C ATOM 1252 O LYS A 78 -12.129 -4.348 -8.878 1.00 0.00 O ATOM 1253 CB LYS A 78 -13.862 -5.131 -6.265 1.00 0.00 C ATOM 1254 CG LYS A 78 -14.377 -3.779 -6.740 1.00 0.00 C ATOM 1255 CD LYS A 78 -15.527 -3.276 -5.882 1.00 0.00 C ATOM 1256 CE LYS A 78 -15.112 -3.051 -4.438 1.00 0.00 C ATOM 1257 NZ LYS A 78 -16.263 -2.627 -3.601 1.00 0.00 N ATOM 0 H LYS A 78 -12.534 -7.217 -5.795 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.782 -6.135 -8.167 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -14.705 -5.729 -5.917 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -13.204 -4.979 -5.409 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -13.564 -3.053 -6.719 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.706 -3.859 -7.776 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -15.907 -2.343 -6.298 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -16.344 -3.996 -5.915 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -14.685 -3.969 -4.034 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -14.331 -2.291 -4.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.945 -2.482 -2.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.654 -1.738 -3.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.997 -3.364 -3.621 1.00 0.00 H new ATOM 1271 N TYR A 79 -10.793 -5.185 -7.288 1.00 0.00 N ATOM 1272 CA TYR A 79 -9.647 -4.390 -7.708 1.00 0.00 C ATOM 1273 C TYR A 79 -8.723 -5.179 -8.629 1.00 0.00 C ATOM 1274 O TYR A 79 -7.690 -4.671 -9.070 1.00 0.00 O ATOM 1275 CB TYR A 79 -8.904 -3.847 -6.489 1.00 0.00 C ATOM 1276 CG TYR A 79 -9.664 -2.723 -5.825 1.00 0.00 C ATOM 1277 CD1 TYR A 79 -10.670 -2.978 -4.900 1.00 0.00 C ATOM 1278 CD2 TYR A 79 -9.398 -1.404 -6.154 1.00 0.00 C ATOM 1279 CE1 TYR A 79 -11.390 -1.946 -4.329 1.00 0.00 C ATOM 1280 CE2 TYR A 79 -10.106 -0.370 -5.582 1.00 0.00 C ATOM 1281 CZ TYR A 79 -11.101 -0.643 -4.671 1.00 0.00 C ATOM 1282 OH TYR A 79 -11.816 0.390 -4.117 1.00 0.00 O ATOM 0 H TYR A 79 -10.613 -5.808 -6.501 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.013 -3.542 -8.286 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -8.745 -4.652 -5.772 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.919 -3.491 -6.792 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.892 -3.998 -4.624 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -8.622 -1.182 -6.872 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.175 -2.160 -3.619 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.881 0.652 -5.848 1.00 0.00 H new ATOM 0 HH TYR A 79 -11.482 1.243 -4.466 1.00 0.00 H new ATOM 1292 N GLY A 80 -9.119 -6.412 -8.925 1.00 0.00 N ATOM 1293 CA GLY A 80 -8.430 -7.212 -9.921 1.00 0.00 C ATOM 1294 C GLY A 80 -6.996 -7.538 -9.560 1.00 0.00 C ATOM 1295 O GLY A 80 -6.059 -6.939 -10.097 1.00 0.00 O ATOM 0 H GLY A 80 -9.915 -6.876 -8.487 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.978 -8.143 -10.068 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.443 -6.680 -10.873 1.00 0.00 H new ATOM 1299 N VAL A 81 -6.816 -8.484 -8.656 1.00 0.00 N ATOM 1300 CA VAL A 81 -5.485 -8.959 -8.318 1.00 0.00 C ATOM 1301 C VAL A 81 -4.987 -9.905 -9.413 1.00 0.00 C ATOM 1302 O VAL A 81 -5.773 -10.652 -10.003 1.00 0.00 O ATOM 1303 CB VAL A 81 -5.462 -9.674 -6.946 1.00 0.00 C ATOM 1304 CG1 VAL A 81 -6.175 -11.016 -7.014 1.00 0.00 C ATOM 1305 CG2 VAL A 81 -4.036 -9.840 -6.445 1.00 0.00 C ATOM 0 H VAL A 81 -7.572 -8.938 -8.143 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.825 -8.095 -8.248 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.999 -9.048 -6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.143 -11.495 -6.036 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.213 -10.862 -7.309 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.681 -11.654 -7.747 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.046 -10.345 -5.479 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.466 -10.434 -7.159 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.572 -8.860 -6.337 1.00 0.00 H new ATOM 1315 N HIS A 82 -3.696 -9.847 -9.712 1.00 0.00 N ATOM 1316 CA HIS A 82 -3.125 -10.676 -10.767 1.00 0.00 C ATOM 1317 C HIS A 82 -1.929 -11.473 -10.258 1.00 0.00 C ATOM 1318 O HIS A 82 -1.676 -12.589 -10.714 1.00 0.00 O ATOM 1319 CB HIS A 82 -2.705 -9.814 -11.963 1.00 0.00 C ATOM 1320 CG HIS A 82 -3.853 -9.150 -12.658 1.00 0.00 C ATOM 1321 ND1 HIS A 82 -4.695 -9.819 -13.514 1.00 0.00 N ATOM 1322 CD2 HIS A 82 -4.299 -7.872 -12.617 1.00 0.00 C ATOM 1323 CE1 HIS A 82 -5.609 -8.986 -13.970 1.00 0.00 C ATOM 1324 NE2 HIS A 82 -5.392 -7.796 -13.444 1.00 0.00 N ATOM 0 H HIS A 82 -3.026 -9.238 -9.242 1.00 0.00 H new ATOM 0 HA HIS A 82 -3.895 -11.378 -11.087 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -2.007 -9.050 -11.622 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -2.170 -10.438 -12.679 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -3.874 -7.063 -12.041 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.402 -9.236 -14.659 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.945 -6.958 -13.622 1.00 0.00 H new ATOM 1333 N ALA A 83 -1.200 -10.898 -9.315 1.00 0.00 N ATOM 1334 CA ALA A 83 -0.024 -11.547 -8.758 1.00 0.00 C ATOM 1335 C ALA A 83 -0.056 -11.483 -7.234 1.00 0.00 C ATOM 1336 O ALA A 83 -1.130 -11.490 -6.632 1.00 0.00 O ATOM 1337 CB ALA A 83 1.241 -10.912 -9.316 1.00 0.00 C ATOM 0 H ALA A 83 -1.403 -9.980 -8.918 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.026 -12.598 -9.047 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.114 -11.407 -8.891 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.254 -11.020 -10.401 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.262 -9.854 -9.057 1.00 0.00 H new ATOM 1343 N TYR A 84 1.112 -11.408 -6.613 1.00 0.00 N ATOM 1344 CA TYR A 84 1.202 -11.496 -5.159 1.00 0.00 C ATOM 1345 C TYR A 84 1.146 -10.117 -4.479 1.00 0.00 C ATOM 1346 O TYR A 84 0.335 -9.918 -3.568 1.00 0.00 O ATOM 1347 CB TYR A 84 2.479 -12.232 -4.747 1.00 0.00 C ATOM 1348 CG TYR A 84 2.732 -13.506 -5.522 1.00 0.00 C ATOM 1349 CD1 TYR A 84 1.845 -14.574 -5.460 1.00 0.00 C ATOM 1350 CD2 TYR A 84 3.868 -13.642 -6.307 1.00 0.00 C ATOM 1351 CE1 TYR A 84 2.086 -15.739 -6.162 1.00 0.00 C ATOM 1352 CE2 TYR A 84 4.115 -14.800 -7.012 1.00 0.00 C ATOM 1353 CZ TYR A 84 3.222 -15.846 -6.937 1.00 0.00 C ATOM 1354 OH TYR A 84 3.471 -17.005 -7.634 1.00 0.00 O ATOM 0 H TYR A 84 2.007 -11.287 -7.088 1.00 0.00 H new ATOM 0 HA TYR A 84 0.331 -12.058 -4.822 1.00 0.00 H new ATOM 0 HB2 TYR A 84 3.330 -11.564 -4.879 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.422 -12.470 -3.685 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.955 -14.492 -4.854 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.572 -12.825 -6.367 1.00 0.00 H new ATOM 0 HE1 TYR A 84 1.389 -16.562 -6.104 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.004 -14.887 -7.620 1.00 0.00 H new ATOM 0 HH TYR A 84 4.311 -16.914 -8.130 1.00 0.00 H new ATOM 1364 N PRO A 85 2.014 -9.153 -4.868 1.00 0.00 N ATOM 1365 CA PRO A 85 2.025 -7.821 -4.286 1.00 0.00 C ATOM 1366 C PRO A 85 1.229 -6.803 -5.106 1.00 0.00 C ATOM 1367 O PRO A 85 1.492 -6.596 -6.294 1.00 0.00 O ATOM 1368 CB PRO A 85 3.515 -7.463 -4.293 1.00 0.00 C ATOM 1369 CG PRO A 85 4.155 -8.355 -5.322 1.00 0.00 C ATOM 1370 CD PRO A 85 3.084 -9.272 -5.861 1.00 0.00 C ATOM 0 HA PRO A 85 1.559 -7.803 -3.301 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.662 -6.412 -4.543 1.00 0.00 H new ATOM 0 HB3 PRO A 85 3.958 -7.622 -3.310 1.00 0.00 H new ATOM 0 HG2 PRO A 85 4.591 -7.761 -6.126 1.00 0.00 H new ATOM 0 HG3 PRO A 85 4.965 -8.933 -4.877 1.00 0.00 H new ATOM 0 HD2 PRO A 85 2.750 -8.964 -6.852 1.00 0.00 H new ATOM 0 HD3 PRO A 85 3.439 -10.299 -5.950 1.00 0.00 H new ATOM 1378 N THR A 86 0.264 -6.162 -4.465 1.00 0.00 N ATOM 1379 CA THR A 86 -0.552 -5.147 -5.116 1.00 0.00 C ATOM 1380 C THR A 86 -0.687 -3.918 -4.217 1.00 0.00 C ATOM 1381 O THR A 86 -1.078 -4.032 -3.057 1.00 0.00 O ATOM 1382 CB THR A 86 -1.953 -5.701 -5.443 1.00 0.00 C ATOM 1383 OG1 THR A 86 -1.826 -6.973 -6.088 1.00 0.00 O ATOM 1384 CG2 THR A 86 -2.727 -4.748 -6.347 1.00 0.00 C ATOM 0 H THR A 86 0.025 -6.328 -3.487 1.00 0.00 H new ATOM 0 HA THR A 86 -0.059 -4.862 -6.045 1.00 0.00 H new ATOM 0 HB THR A 86 -2.504 -5.809 -4.509 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.486 -7.041 -6.809 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.711 -5.167 -6.560 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.842 -3.786 -5.848 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.182 -4.609 -7.281 1.00 0.00 H new ATOM 1392 N LEU A 87 -0.353 -2.750 -4.745 1.00 0.00 N ATOM 1393 CA LEU A 87 -0.432 -1.519 -3.969 1.00 0.00 C ATOM 1394 C LEU A 87 -1.601 -0.665 -4.435 1.00 0.00 C ATOM 1395 O LEU A 87 -1.713 -0.333 -5.616 1.00 0.00 O ATOM 1396 CB LEU A 87 0.874 -0.731 -4.076 1.00 0.00 C ATOM 1397 CG LEU A 87 2.107 -1.439 -3.508 1.00 0.00 C ATOM 1398 CD1 LEU A 87 3.347 -0.575 -3.671 1.00 0.00 C ATOM 1399 CD2 LEU A 87 1.895 -1.784 -2.042 1.00 0.00 C ATOM 0 H LEU A 87 -0.026 -2.627 -5.703 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.593 -1.786 -2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.057 -0.502 -5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.750 0.220 -3.559 1.00 0.00 H new ATOM 0 HG LEU A 87 2.255 -2.363 -4.066 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.211 -1.098 -3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.514 -0.374 -4.729 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.207 0.367 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.781 -2.287 -1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.719 -0.870 -1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.032 -2.443 -1.944 1.00 0.00 H new ATOM 1411 N LEU A 88 -2.478 -0.319 -3.507 1.00 0.00 N ATOM 1412 CA LEU A 88 -3.644 0.482 -3.834 1.00 0.00 C ATOM 1413 C LEU A 88 -3.519 1.882 -3.249 1.00 0.00 C ATOM 1414 O LEU A 88 -3.385 2.051 -2.035 1.00 0.00 O ATOM 1415 CB LEU A 88 -4.923 -0.187 -3.320 1.00 0.00 C ATOM 1416 CG LEU A 88 -5.181 -1.602 -3.840 1.00 0.00 C ATOM 1417 CD1 LEU A 88 -6.497 -2.132 -3.295 1.00 0.00 C ATOM 1418 CD2 LEU A 88 -5.190 -1.618 -5.360 1.00 0.00 C ATOM 0 H LEU A 88 -2.404 -0.580 -2.524 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.702 0.561 -4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.882 -0.221 -2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.773 0.440 -3.588 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.376 -2.250 -3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.668 -3.140 -3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.457 -2.155 -2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.311 -1.482 -3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.375 -2.633 -5.712 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.976 -0.958 -5.726 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.225 -1.275 -5.733 1.00 0.00 H new ATOM 1430 N PHE A 89 -3.548 2.878 -4.119 1.00 0.00 N ATOM 1431 CA PHE A 89 -3.527 4.267 -3.694 1.00 0.00 C ATOM 1432 C PHE A 89 -4.952 4.798 -3.677 1.00 0.00 C ATOM 1433 O PHE A 89 -5.552 5.019 -4.734 1.00 0.00 O ATOM 1434 CB PHE A 89 -2.661 5.107 -4.638 1.00 0.00 C ATOM 1435 CG PHE A 89 -1.279 4.553 -4.845 1.00 0.00 C ATOM 1436 CD1 PHE A 89 -0.275 4.802 -3.925 1.00 0.00 C ATOM 1437 CD2 PHE A 89 -0.987 3.781 -5.958 1.00 0.00 C ATOM 1438 CE1 PHE A 89 0.995 4.291 -4.114 1.00 0.00 C ATOM 1439 CE2 PHE A 89 0.278 3.269 -6.151 1.00 0.00 C ATOM 1440 CZ PHE A 89 1.271 3.523 -5.227 1.00 0.00 C ATOM 0 H PHE A 89 -3.586 2.748 -5.130 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.097 4.332 -2.695 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.161 5.183 -5.604 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.581 6.119 -4.240 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.486 5.401 -3.052 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.761 3.578 -6.684 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.771 4.493 -3.391 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.492 2.670 -7.024 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.263 3.121 -5.375 1.00 0.00 H new ATOM 1450 N ILE A 90 -5.506 4.980 -2.488 1.00 0.00 N ATOM 1451 CA ILE A 90 -6.906 5.328 -2.368 1.00 0.00 C ATOM 1452 C ILE A 90 -7.089 6.598 -1.537 1.00 0.00 C ATOM 1453 O ILE A 90 -6.386 6.821 -0.549 1.00 0.00 O ATOM 1454 CB ILE A 90 -7.707 4.147 -1.763 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -9.207 4.429 -1.765 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -7.240 3.834 -0.353 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -10.035 3.254 -1.295 1.00 0.00 C ATOM 0 H ILE A 90 -5.009 4.893 -1.602 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.294 5.529 -3.367 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.521 3.278 -2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.410 5.287 -1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -9.517 4.704 -2.773 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.820 3.002 0.046 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.184 3.565 -0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.381 4.710 0.280 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -11.092 3.520 -1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -9.860 2.400 -1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -9.751 2.993 -0.275 1.00 0.00 H new ATOM 1469 N ASN A 91 -8.011 7.444 -1.971 1.00 0.00 N ATOM 1470 CA ASN A 91 -8.315 8.680 -1.262 1.00 0.00 C ATOM 1471 C ASN A 91 -9.184 8.385 -0.052 1.00 0.00 C ATOM 1472 O ASN A 91 -9.733 7.288 0.069 1.00 0.00 O ATOM 1473 CB ASN A 91 -9.045 9.672 -2.176 1.00 0.00 C ATOM 1474 CG ASN A 91 -8.231 10.082 -3.390 1.00 0.00 C ATOM 1475 OD1 ASN A 91 -7.000 10.104 -3.356 1.00 0.00 O ATOM 1476 ND2 ASN A 91 -8.916 10.414 -4.474 1.00 0.00 N ATOM 0 H ASN A 91 -8.565 7.297 -2.815 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.373 9.124 -0.941 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -9.982 9.226 -2.509 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -9.302 10.562 -1.602 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.424 10.701 -5.320 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -9.935 10.383 -4.462 1.00 0.00 H new ATOM 1483 N SER A 92 -9.340 9.369 0.823 1.00 0.00 N ATOM 1484 CA SER A 92 -10.139 9.199 2.029 1.00 0.00 C ATOM 1485 C SER A 92 -11.619 9.030 1.678 1.00 0.00 C ATOM 1486 O SER A 92 -12.409 8.524 2.477 1.00 0.00 O ATOM 1487 CB SER A 92 -9.938 10.403 2.948 1.00 0.00 C ATOM 1488 OG SER A 92 -8.555 10.639 3.177 1.00 0.00 O ATOM 0 H SER A 92 -8.923 10.294 0.720 1.00 0.00 H new ATOM 0 HA SER A 92 -9.813 8.297 2.547 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.393 11.287 2.501 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.444 10.230 3.898 1.00 0.00 H new ATOM 0 HG SER A 92 -8.449 11.415 3.766 1.00 0.00 H new ATOM 1494 N SER A 93 -11.977 9.447 0.468 1.00 0.00 N ATOM 1495 CA SER A 93 -13.338 9.297 -0.032 1.00 0.00 C ATOM 1496 C SER A 93 -13.644 7.832 -0.356 1.00 0.00 C ATOM 1497 O SER A 93 -14.801 7.455 -0.543 1.00 0.00 O ATOM 1498 CB SER A 93 -13.519 10.147 -1.287 1.00 0.00 C ATOM 1499 OG SER A 93 -12.982 11.449 -1.106 1.00 0.00 O ATOM 0 H SER A 93 -11.338 9.895 -0.189 1.00 0.00 H new ATOM 0 HA SER A 93 -14.028 9.630 0.743 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.029 9.663 -2.132 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.579 10.218 -1.532 1.00 0.00 H new ATOM 0 HG SER A 93 -13.109 11.972 -1.925 1.00 0.00 H new ATOM 1505 N GLY A 94 -12.600 7.015 -0.432 1.00 0.00 N ATOM 1506 CA GLY A 94 -12.777 5.609 -0.732 1.00 0.00 C ATOM 1507 C GLY A 94 -12.669 5.305 -2.213 1.00 0.00 C ATOM 1508 O GLY A 94 -13.126 4.259 -2.676 1.00 0.00 O ATOM 0 H GLY A 94 -11.632 7.303 -0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -12.028 5.030 -0.192 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.753 5.285 -0.370 1.00 0.00 H new ATOM 1512 N GLU A 95 -12.061 6.217 -2.959 1.00 0.00 N ATOM 1513 CA GLU A 95 -11.830 6.011 -4.385 1.00 0.00 C ATOM 1514 C GLU A 95 -10.335 5.916 -4.659 1.00 0.00 C ATOM 1515 O GLU A 95 -9.547 6.680 -4.099 1.00 0.00 O ATOM 1516 CB GLU A 95 -12.446 7.149 -5.205 1.00 0.00 C ATOM 1517 CG GLU A 95 -11.897 8.525 -4.860 1.00 0.00 C ATOM 1518 CD GLU A 95 -12.440 9.609 -5.763 1.00 0.00 C ATOM 1519 OE1 GLU A 95 -13.498 10.181 -5.431 1.00 0.00 O ATOM 1520 OE2 GLU A 95 -11.811 9.894 -6.806 1.00 0.00 O ATOM 0 H GLU A 95 -11.718 7.108 -2.601 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.308 5.078 -4.683 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.274 6.955 -6.264 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -13.525 7.151 -5.052 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -12.144 8.762 -3.825 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -10.810 8.507 -4.933 1.00 0.00 H new ATOM 1527 N VAL A 96 -9.941 4.976 -5.504 1.00 0.00 N ATOM 1528 CA VAL A 96 -8.535 4.805 -5.829 1.00 0.00 C ATOM 1529 C VAL A 96 -8.144 5.716 -6.983 1.00 0.00 C ATOM 1530 O VAL A 96 -8.945 5.978 -7.885 1.00 0.00 O ATOM 1531 CB VAL A 96 -8.177 3.340 -6.184 1.00 0.00 C ATOM 1532 CG1 VAL A 96 -8.396 2.423 -4.991 1.00 0.00 C ATOM 1533 CG2 VAL A 96 -8.972 2.852 -7.385 1.00 0.00 C ATOM 0 H VAL A 96 -10.570 4.325 -5.974 1.00 0.00 H new ATOM 0 HA VAL A 96 -7.973 5.073 -4.934 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.120 3.315 -6.448 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.138 1.400 -5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.765 2.746 -4.163 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -9.442 2.464 -4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.698 1.821 -7.608 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.038 2.904 -7.161 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.751 3.481 -8.247 1.00 0.00 H new ATOM 1543 N VAL A 97 -6.926 6.223 -6.935 1.00 0.00 N ATOM 1544 CA VAL A 97 -6.413 7.055 -8.010 1.00 0.00 C ATOM 1545 C VAL A 97 -5.557 6.225 -8.955 1.00 0.00 C ATOM 1546 O VAL A 97 -5.398 6.561 -10.132 1.00 0.00 O ATOM 1547 CB VAL A 97 -5.585 8.246 -7.475 1.00 0.00 C ATOM 1548 CG1 VAL A 97 -6.449 9.147 -6.607 1.00 0.00 C ATOM 1549 CG2 VAL A 97 -4.368 7.766 -6.699 1.00 0.00 C ATOM 0 H VAL A 97 -6.274 6.074 -6.165 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.273 7.456 -8.546 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.231 8.821 -8.331 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.850 9.980 -6.239 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.281 9.531 -7.197 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.835 8.577 -5.762 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.806 8.626 -6.336 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.692 7.160 -5.853 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.733 7.167 -7.352 1.00 0.00 H new ATOM 1559 N TYR A 98 -5.032 5.123 -8.437 1.00 0.00 N ATOM 1560 CA TYR A 98 -4.145 4.264 -9.200 1.00 0.00 C ATOM 1561 C TYR A 98 -3.994 2.917 -8.506 1.00 0.00 C ATOM 1562 O TYR A 98 -3.865 2.851 -7.281 1.00 0.00 O ATOM 1563 CB TYR A 98 -2.778 4.941 -9.354 1.00 0.00 C ATOM 1564 CG TYR A 98 -1.788 4.177 -10.206 1.00 0.00 C ATOM 1565 CD1 TYR A 98 -1.924 4.129 -11.588 1.00 0.00 C ATOM 1566 CD2 TYR A 98 -0.708 3.520 -9.631 1.00 0.00 C ATOM 1567 CE1 TYR A 98 -1.013 3.446 -12.370 1.00 0.00 C ATOM 1568 CE2 TYR A 98 0.207 2.838 -10.406 1.00 0.00 C ATOM 1569 CZ TYR A 98 0.051 2.804 -11.774 1.00 0.00 C ATOM 1570 OH TYR A 98 0.964 2.125 -12.551 1.00 0.00 O ATOM 0 H TYR A 98 -5.208 4.804 -7.484 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.571 4.097 -10.189 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.924 5.930 -9.789 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.347 5.089 -8.364 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.755 4.634 -12.058 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.582 3.543 -8.559 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.134 3.415 -13.443 1.00 0.00 H new ATOM 0 HE2 TYR A 98 1.042 2.333 -9.942 1.00 0.00 H new ATOM 0 HH TYR A 98 1.653 1.730 -11.977 1.00 0.00 H new ATOM 1580 N ARG A 99 -4.052 1.853 -9.287 1.00 0.00 N ATOM 1581 CA ARG A 99 -3.802 0.515 -8.783 1.00 0.00 C ATOM 1582 C ARG A 99 -2.475 0.006 -9.308 1.00 0.00 C ATOM 1583 O ARG A 99 -2.315 -0.208 -10.509 1.00 0.00 O ATOM 1584 CB ARG A 99 -4.919 -0.438 -9.200 1.00 0.00 C ATOM 1585 CG ARG A 99 -6.219 -0.219 -8.450 1.00 0.00 C ATOM 1586 CD ARG A 99 -7.323 -1.119 -8.984 1.00 0.00 C ATOM 1587 NE ARG A 99 -7.718 -0.743 -10.342 1.00 0.00 N ATOM 1588 CZ ARG A 99 -7.865 -1.603 -11.347 1.00 0.00 C ATOM 1589 NH1 ARG A 99 -7.699 -2.901 -11.143 1.00 0.00 N ATOM 1590 NH2 ARG A 99 -8.201 -1.162 -12.553 1.00 0.00 N ATOM 0 H ARG A 99 -4.272 1.891 -10.282 1.00 0.00 H new ATOM 0 HA ARG A 99 -3.770 0.558 -7.694 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -5.102 -0.323 -10.268 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -4.587 -1.464 -9.042 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.067 -0.417 -7.389 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.522 0.824 -8.540 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -6.983 -2.155 -8.977 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.189 -1.063 -8.324 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.892 0.244 -10.531 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -7.458 -3.244 -10.213 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -7.812 -3.557 -11.916 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.346 -0.165 -12.709 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -8.314 -1.821 -13.324 1.00 0.00 H new ATOM 1604 N LEU A 100 -1.527 -0.189 -8.410 1.00 0.00 N ATOM 1605 CA LEU A 100 -0.213 -0.661 -8.799 1.00 0.00 C ATOM 1606 C LEU A 100 -0.166 -2.178 -8.728 1.00 0.00 C ATOM 1607 O LEU A 100 -0.153 -2.766 -7.643 1.00 0.00 O ATOM 1608 CB LEU A 100 0.871 -0.047 -7.908 1.00 0.00 C ATOM 1609 CG LEU A 100 2.306 -0.442 -8.263 1.00 0.00 C ATOM 1610 CD1 LEU A 100 2.642 -0.027 -9.689 1.00 0.00 C ATOM 1611 CD2 LEU A 100 3.279 0.188 -7.279 1.00 0.00 C ATOM 0 H LEU A 100 -1.643 -0.028 -7.409 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.021 -0.350 -9.826 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.787 1.039 -7.957 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.677 -0.336 -6.875 1.00 0.00 H new ATOM 0 HG LEU A 100 2.395 -1.526 -8.197 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.667 -0.317 -9.921 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.960 -0.520 -10.382 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.540 1.054 -9.787 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.298 -0.099 -7.540 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.186 1.273 -7.320 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.052 -0.158 -6.271 1.00 0.00 H new ATOM 1623 N VAL A 101 -0.159 -2.803 -9.892 1.00 0.00 N ATOM 1624 CA VAL A 101 -0.129 -4.252 -9.982 1.00 0.00 C ATOM 1625 C VAL A 101 1.296 -4.733 -10.207 1.00 0.00 C ATOM 1626 O VAL A 101 1.837 -4.615 -11.308 1.00 0.00 O ATOM 1627 CB VAL A 101 -1.040 -4.770 -11.118 1.00 0.00 C ATOM 1628 CG1 VAL A 101 -1.019 -6.291 -11.191 1.00 0.00 C ATOM 1629 CG2 VAL A 101 -2.461 -4.265 -10.935 1.00 0.00 C ATOM 0 H VAL A 101 -0.174 -2.326 -10.793 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.504 -4.650 -9.039 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.652 -4.383 -12.061 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.669 -6.625 -11.999 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.001 -6.632 -11.379 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.372 -6.705 -10.247 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.087 -4.640 -11.744 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.852 -4.617 -9.980 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.464 -3.175 -10.949 1.00 0.00 H new ATOM 1639 N GLY A 102 1.905 -5.245 -9.152 1.00 0.00 N ATOM 1640 CA GLY A 102 3.263 -5.733 -9.245 1.00 0.00 C ATOM 1641 C GLY A 102 4.205 -4.927 -8.383 1.00 0.00 C ATOM 1642 O GLY A 102 3.809 -3.916 -7.801 1.00 0.00 O ATOM 0 H GLY A 102 1.481 -5.332 -8.228 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.296 -6.779 -8.940 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.594 -5.693 -10.283 1.00 0.00 H new ATOM 1646 N ALA A 103 5.445 -5.370 -8.291 1.00 0.00 N ATOM 1647 CA ALA A 103 6.437 -4.675 -7.495 1.00 0.00 C ATOM 1648 C ALA A 103 7.740 -4.559 -8.263 1.00 0.00 C ATOM 1649 O ALA A 103 8.219 -5.530 -8.852 1.00 0.00 O ATOM 1650 CB ALA A 103 6.658 -5.390 -6.168 1.00 0.00 C ATOM 0 H ALA A 103 5.789 -6.209 -8.758 1.00 0.00 H new ATOM 0 HA ALA A 103 6.069 -3.671 -7.283 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.406 -4.853 -5.585 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.721 -5.424 -5.612 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.005 -6.406 -6.356 1.00 0.00 H new ATOM 1656 N GLU A 104 8.291 -3.361 -8.276 1.00 0.00 N ATOM 1657 CA GLU A 104 9.558 -3.107 -8.935 1.00 0.00 C ATOM 1658 C GLU A 104 10.558 -2.597 -7.906 1.00 0.00 C ATOM 1659 O GLU A 104 10.219 -2.487 -6.726 1.00 0.00 O ATOM 1660 CB GLU A 104 9.363 -2.102 -10.073 1.00 0.00 C ATOM 1661 CG GLU A 104 8.350 -2.570 -11.109 1.00 0.00 C ATOM 1662 CD GLU A 104 8.170 -1.594 -12.252 1.00 0.00 C ATOM 1663 OE1 GLU A 104 7.351 -0.663 -12.123 1.00 0.00 O ATOM 1664 OE2 GLU A 104 8.840 -1.763 -13.295 1.00 0.00 O ATOM 0 H GLU A 104 7.877 -2.541 -7.833 1.00 0.00 H new ATOM 0 HA GLU A 104 9.946 -4.028 -9.371 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.036 -1.149 -9.657 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.321 -1.925 -10.563 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.668 -3.533 -11.509 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.388 -2.729 -10.621 1.00 0.00 H new ATOM 1671 N ASP A 105 11.770 -2.282 -8.338 1.00 0.00 N ATOM 1672 CA ASP A 105 12.826 -1.892 -7.406 1.00 0.00 C ATOM 1673 C ASP A 105 12.500 -0.543 -6.762 1.00 0.00 C ATOM 1674 O ASP A 105 11.733 0.237 -7.321 1.00 0.00 O ATOM 1675 CB ASP A 105 14.178 -1.850 -8.122 1.00 0.00 C ATOM 1676 CG ASP A 105 15.344 -1.947 -7.159 1.00 0.00 C ATOM 1677 OD1 ASP A 105 15.541 -3.031 -6.559 1.00 0.00 O ATOM 1678 OD2 ASP A 105 16.070 -0.950 -7.001 1.00 0.00 O ATOM 0 H ASP A 105 12.049 -2.287 -9.319 1.00 0.00 H new ATOM 0 HA ASP A 105 12.887 -2.637 -6.612 1.00 0.00 H new ATOM 0 HB2 ASP A 105 14.233 -2.670 -8.838 1.00 0.00 H new ATOM 0 HB3 ASP A 105 14.256 -0.924 -8.691 1.00 0.00 H new ATOM 1683 N ALA A 106 13.096 -0.281 -5.595 1.00 0.00 N ATOM 1684 CA ALA A 106 12.749 0.881 -4.758 1.00 0.00 C ATOM 1685 C ALA A 106 12.577 2.196 -5.541 1.00 0.00 C ATOM 1686 O ALA A 106 11.515 2.817 -5.451 1.00 0.00 O ATOM 1687 CB ALA A 106 13.770 1.054 -3.638 1.00 0.00 C ATOM 0 H ALA A 106 13.833 -0.866 -5.200 1.00 0.00 H new ATOM 0 HA ALA A 106 11.769 0.660 -4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 106 13.499 1.916 -3.029 1.00 0.00 H new ATOM 0 HB2 ALA A 106 13.782 0.159 -3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 106 14.759 1.210 -4.068 1.00 0.00 H new ATOM 1693 N PRO A 107 13.591 2.652 -6.319 1.00 0.00 N ATOM 1694 CA PRO A 107 13.483 3.904 -7.086 1.00 0.00 C ATOM 1695 C PRO A 107 12.320 3.878 -8.076 1.00 0.00 C ATOM 1696 O PRO A 107 11.609 4.873 -8.247 1.00 0.00 O ATOM 1697 CB PRO A 107 14.820 3.998 -7.835 1.00 0.00 C ATOM 1698 CG PRO A 107 15.388 2.621 -7.799 1.00 0.00 C ATOM 1699 CD PRO A 107 14.902 2.011 -6.518 1.00 0.00 C ATOM 0 HA PRO A 107 13.290 4.757 -6.435 1.00 0.00 H new ATOM 0 HB2 PRO A 107 14.673 4.336 -8.861 1.00 0.00 H new ATOM 0 HB3 PRO A 107 15.490 4.712 -7.356 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.057 2.039 -8.659 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.477 2.646 -7.831 1.00 0.00 H new ATOM 0 HD2 PRO A 107 14.813 0.927 -6.596 1.00 0.00 H new ATOM 0 HD3 PRO A 107 15.581 2.217 -5.691 1.00 0.00 H new ATOM 1707 N GLU A 108 12.125 2.730 -8.707 1.00 0.00 N ATOM 1708 CA GLU A 108 11.047 2.540 -9.667 1.00 0.00 C ATOM 1709 C GLU A 108 9.696 2.533 -8.954 1.00 0.00 C ATOM 1710 O GLU A 108 8.715 3.087 -9.448 1.00 0.00 O ATOM 1711 CB GLU A 108 11.249 1.217 -10.407 1.00 0.00 C ATOM 1712 CG GLU A 108 10.250 0.980 -11.522 1.00 0.00 C ATOM 1713 CD GLU A 108 10.541 1.808 -12.753 1.00 0.00 C ATOM 1714 OE1 GLU A 108 11.497 1.466 -13.481 1.00 0.00 O ATOM 1715 OE2 GLU A 108 9.805 2.779 -13.009 1.00 0.00 O ATOM 0 H GLU A 108 12.708 1.905 -8.569 1.00 0.00 H new ATOM 0 HA GLU A 108 11.060 3.363 -10.382 1.00 0.00 H new ATOM 0 HB2 GLU A 108 12.256 1.195 -10.824 1.00 0.00 H new ATOM 0 HB3 GLU A 108 11.182 0.397 -9.691 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.255 -0.076 -11.790 1.00 0.00 H new ATOM 0 HG3 GLU A 108 9.248 1.212 -11.162 1.00 0.00 H new ATOM 1722 N LEU A 109 9.664 1.902 -7.785 1.00 0.00 N ATOM 1723 CA LEU A 109 8.453 1.815 -6.982 1.00 0.00 C ATOM 1724 C LEU A 109 8.010 3.214 -6.563 1.00 0.00 C ATOM 1725 O LEU A 109 6.857 3.595 -6.761 1.00 0.00 O ATOM 1726 CB LEU A 109 8.707 0.928 -5.752 1.00 0.00 C ATOM 1727 CG LEU A 109 7.473 0.236 -5.148 1.00 0.00 C ATOM 1728 CD1 LEU A 109 6.522 1.241 -4.517 1.00 0.00 C ATOM 1729 CD2 LEU A 109 6.752 -0.584 -6.209 1.00 0.00 C ATOM 0 H LEU A 109 10.473 1.439 -7.371 1.00 0.00 H new ATOM 0 HA LEU A 109 7.655 1.364 -7.572 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.430 0.160 -6.027 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.170 1.540 -4.978 1.00 0.00 H new ATOM 0 HG LEU A 109 7.820 -0.432 -4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.662 0.716 -4.101 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.038 1.780 -3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.184 1.948 -5.275 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.881 -1.067 -5.766 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.431 0.071 -7.019 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.427 -1.344 -6.603 1.00 0.00 H new ATOM 1741 N LEU A 110 8.946 3.983 -6.011 1.00 0.00 N ATOM 1742 CA LEU A 110 8.677 5.359 -5.597 1.00 0.00 C ATOM 1743 C LEU A 110 8.197 6.184 -6.788 1.00 0.00 C ATOM 1744 O LEU A 110 7.314 7.037 -6.658 1.00 0.00 O ATOM 1745 CB LEU A 110 9.945 5.981 -4.999 1.00 0.00 C ATOM 1746 CG LEU A 110 9.807 7.425 -4.505 1.00 0.00 C ATOM 1747 CD1 LEU A 110 8.830 7.507 -3.345 1.00 0.00 C ATOM 1748 CD2 LEU A 110 11.164 7.980 -4.101 1.00 0.00 C ATOM 0 H LEU A 110 9.903 3.675 -5.839 1.00 0.00 H new ATOM 0 HA LEU A 110 7.894 5.354 -4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.273 5.361 -4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 110 10.733 5.947 -5.751 1.00 0.00 H new ATOM 0 HG LEU A 110 9.415 8.030 -5.322 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.748 8.541 -3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.852 7.151 -3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.188 6.887 -2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.048 9.006 -3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.583 7.370 -3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 110 11.835 7.962 -4.960 1.00 0.00 H new ATOM 1760 N LYS A 111 8.784 5.905 -7.943 1.00 0.00 N ATOM 1761 CA LYS A 111 8.422 6.569 -9.187 1.00 0.00 C ATOM 1762 C LYS A 111 6.981 6.238 -9.570 1.00 0.00 C ATOM 1763 O LYS A 111 6.191 7.128 -9.884 1.00 0.00 O ATOM 1764 CB LYS A 111 9.386 6.127 -10.291 1.00 0.00 C ATOM 1765 CG LYS A 111 9.241 6.880 -11.602 1.00 0.00 C ATOM 1766 CD LYS A 111 10.251 6.373 -12.615 1.00 0.00 C ATOM 1767 CE LYS A 111 10.218 7.170 -13.906 1.00 0.00 C ATOM 1768 NZ LYS A 111 11.207 6.654 -14.888 1.00 0.00 N ATOM 0 H LYS A 111 9.525 5.211 -8.044 1.00 0.00 H new ATOM 0 HA LYS A 111 8.495 7.649 -9.055 1.00 0.00 H new ATOM 0 HB2 LYS A 111 10.408 6.246 -9.931 1.00 0.00 H new ATOM 0 HB3 LYS A 111 9.237 5.064 -10.480 1.00 0.00 H new ATOM 0 HG2 LYS A 111 8.231 6.755 -11.991 1.00 0.00 H new ATOM 0 HG3 LYS A 111 9.388 7.947 -11.435 1.00 0.00 H new ATOM 0 HD2 LYS A 111 11.251 6.423 -12.185 1.00 0.00 H new ATOM 0 HD3 LYS A 111 10.050 5.324 -12.832 1.00 0.00 H new ATOM 0 HE2 LYS A 111 9.218 7.126 -14.337 1.00 0.00 H new ATOM 0 HE3 LYS A 111 10.427 8.218 -13.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 11.159 7.220 -15.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 12.163 6.720 -14.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 10.992 5.661 -15.108 1.00 0.00 H new ATOM 1782 N LYS A 112 6.641 4.951 -9.524 1.00 0.00 N ATOM 1783 CA LYS A 112 5.292 4.493 -9.847 1.00 0.00 C ATOM 1784 C LYS A 112 4.260 5.107 -8.907 1.00 0.00 C ATOM 1785 O LYS A 112 3.134 5.395 -9.313 1.00 0.00 O ATOM 1786 CB LYS A 112 5.213 2.963 -9.791 1.00 0.00 C ATOM 1787 CG LYS A 112 5.891 2.270 -10.964 1.00 0.00 C ATOM 1788 CD LYS A 112 5.420 2.841 -12.293 1.00 0.00 C ATOM 1789 CE LYS A 112 5.850 1.977 -13.467 1.00 0.00 C ATOM 1790 NZ LYS A 112 7.306 1.679 -13.451 1.00 0.00 N ATOM 0 H LYS A 112 7.285 4.204 -9.265 1.00 0.00 H new ATOM 0 HA LYS A 112 5.065 4.820 -10.862 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.671 2.619 -8.864 1.00 0.00 H new ATOM 0 HB3 LYS A 112 4.165 2.663 -9.760 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.972 2.383 -10.880 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.679 1.201 -10.930 1.00 0.00 H new ATOM 0 HD2 LYS A 112 4.334 2.928 -12.286 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.820 3.847 -12.418 1.00 0.00 H new ATOM 0 HE2 LYS A 112 5.291 1.042 -13.450 1.00 0.00 H new ATOM 0 HE3 LYS A 112 5.596 2.483 -14.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 7.586 1.267 -14.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 7.838 2.558 -13.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 7.514 1.004 -12.688 1.00 0.00 H new ATOM 1804 N VAL A 113 4.651 5.308 -7.654 1.00 0.00 N ATOM 1805 CA VAL A 113 3.781 5.947 -6.674 1.00 0.00 C ATOM 1806 C VAL A 113 3.412 7.357 -7.122 1.00 0.00 C ATOM 1807 O VAL A 113 2.234 7.719 -7.164 1.00 0.00 O ATOM 1808 CB VAL A 113 4.445 6.014 -5.280 1.00 0.00 C ATOM 1809 CG1 VAL A 113 3.584 6.797 -4.295 1.00 0.00 C ATOM 1810 CG2 VAL A 113 4.714 4.615 -4.751 1.00 0.00 C ATOM 0 H VAL A 113 5.566 5.037 -7.293 1.00 0.00 H new ATOM 0 HA VAL A 113 2.880 5.338 -6.600 1.00 0.00 H new ATOM 0 HB VAL A 113 5.395 6.538 -5.387 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.078 6.826 -3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 113 3.444 7.814 -4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 113 2.613 6.311 -4.194 1.00 0.00 H new ATOM 0 HG21 VAL A 113 5.182 4.681 -3.769 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.774 4.070 -4.669 1.00 0.00 H new ATOM 0 HG23 VAL A 113 5.380 4.089 -5.435 1.00 0.00 H new ATOM 1820 N LYS A 114 4.422 8.142 -7.481 1.00 0.00 N ATOM 1821 CA LYS A 114 4.201 9.521 -7.892 1.00 0.00 C ATOM 1822 C LYS A 114 3.399 9.589 -9.184 1.00 0.00 C ATOM 1823 O LYS A 114 2.447 10.360 -9.283 1.00 0.00 O ATOM 1824 CB LYS A 114 5.527 10.257 -8.053 1.00 0.00 C ATOM 1825 CG LYS A 114 5.357 11.710 -8.459 1.00 0.00 C ATOM 1826 CD LYS A 114 6.594 12.517 -8.162 1.00 0.00 C ATOM 1827 CE LYS A 114 6.781 12.706 -6.674 1.00 0.00 C ATOM 1828 NZ LYS A 114 5.658 13.469 -6.063 1.00 0.00 N ATOM 0 H LYS A 114 5.398 7.847 -7.495 1.00 0.00 H new ATOM 0 HA LYS A 114 3.624 10.011 -7.108 1.00 0.00 H new ATOM 0 HB2 LYS A 114 6.078 10.211 -7.113 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.131 9.745 -8.802 1.00 0.00 H new ATOM 0 HG2 LYS A 114 5.132 11.767 -9.524 1.00 0.00 H new ATOM 0 HG3 LYS A 114 4.506 12.139 -7.930 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.467 12.016 -8.580 1.00 0.00 H new ATOM 0 HD3 LYS A 114 6.522 13.490 -8.648 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.862 11.732 -6.192 1.00 0.00 H new ATOM 0 HE3 LYS A 114 7.718 13.231 -6.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 5.858 13.635 -5.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.553 14.382 -6.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 4.777 12.924 -6.156 1.00 0.00 H new ATOM 1842 N LEU A 115 3.769 8.764 -10.157 1.00 0.00 N ATOM 1843 CA LEU A 115 3.087 8.749 -11.448 1.00 0.00 C ATOM 1844 C LEU A 115 1.639 8.296 -11.304 1.00 0.00 C ATOM 1845 O LEU A 115 0.786 8.651 -12.118 1.00 0.00 O ATOM 1846 CB LEU A 115 3.820 7.838 -12.440 1.00 0.00 C ATOM 1847 CG LEU A 115 4.947 8.500 -13.244 1.00 0.00 C ATOM 1848 CD1 LEU A 115 6.023 9.062 -12.330 1.00 0.00 C ATOM 1849 CD2 LEU A 115 5.553 7.505 -14.221 1.00 0.00 C ATOM 0 H LEU A 115 4.537 8.097 -10.078 1.00 0.00 H new ATOM 0 HA LEU A 115 3.093 9.769 -11.832 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.238 6.995 -11.890 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.090 7.432 -13.140 1.00 0.00 H new ATOM 0 HG LEU A 115 4.516 9.330 -13.804 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.806 9.524 -12.931 1.00 0.00 H new ATOM 0 HD12 LEU A 115 5.585 9.810 -11.669 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.451 8.256 -11.734 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.351 7.988 -14.784 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.960 6.657 -13.671 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.783 7.156 -14.909 1.00 0.00 H new ATOM 1861 N GLY A 116 1.364 7.518 -10.267 1.00 0.00 N ATOM 1862 CA GLY A 116 0.017 7.047 -10.033 1.00 0.00 C ATOM 1863 C GLY A 116 -0.864 8.099 -9.390 1.00 0.00 C ATOM 1864 O GLY A 116 -2.029 8.254 -9.756 1.00 0.00 O ATOM 0 H GLY A 116 2.052 7.205 -9.583 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -0.425 6.737 -10.980 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.050 6.165 -9.393 1.00 0.00 H new ATOM 1868 N VAL A 117 -0.310 8.831 -8.434 1.00 0.00 N ATOM 1869 CA VAL A 117 -1.066 9.858 -7.732 1.00 0.00 C ATOM 1870 C VAL A 117 -1.133 11.138 -8.561 1.00 0.00 C ATOM 1871 O VAL A 117 -2.174 11.791 -8.639 1.00 0.00 O ATOM 1872 CB VAL A 117 -0.449 10.170 -6.350 1.00 0.00 C ATOM 1873 CG1 VAL A 117 -1.284 11.195 -5.600 1.00 0.00 C ATOM 1874 CG2 VAL A 117 -0.305 8.899 -5.526 1.00 0.00 C ATOM 0 H VAL A 117 0.658 8.733 -8.127 1.00 0.00 H new ATOM 0 HA VAL A 117 -2.074 9.472 -7.581 1.00 0.00 H new ATOM 0 HB VAL A 117 0.543 10.591 -6.513 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.828 11.397 -4.631 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -1.332 12.118 -6.178 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.292 10.806 -5.453 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.131 9.141 -4.557 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.286 8.447 -5.380 1.00 0.00 H new ATOM 0 HG23 VAL A 117 0.343 8.197 -6.050 1.00 0.00 H new ATOM 1884 N GLU A 118 -0.020 11.480 -9.193 1.00 0.00 N ATOM 1885 CA GLU A 118 0.062 12.677 -10.013 1.00 0.00 C ATOM 1886 C GLU A 118 0.598 12.322 -11.397 1.00 0.00 C ATOM 1887 O GLU A 118 1.804 12.379 -11.647 1.00 0.00 O ATOM 1888 CB GLU A 118 0.958 13.716 -9.333 1.00 0.00 C ATOM 1889 CG GLU A 118 0.921 15.085 -9.987 1.00 0.00 C ATOM 1890 CD GLU A 118 1.809 16.085 -9.279 1.00 0.00 C ATOM 1891 OE1 GLU A 118 1.357 16.687 -8.284 1.00 0.00 O ATOM 1892 OE2 GLU A 118 2.967 16.274 -9.712 1.00 0.00 O ATOM 0 H GLU A 118 0.844 10.940 -9.152 1.00 0.00 H new ATOM 0 HA GLU A 118 -0.934 13.105 -10.128 1.00 0.00 H new ATOM 0 HB2 GLU A 118 0.656 13.814 -8.290 1.00 0.00 H new ATOM 0 HB3 GLU A 118 1.985 13.352 -9.334 1.00 0.00 H new ATOM 0 HG2 GLU A 118 1.235 14.997 -11.027 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -0.105 15.454 -9.994 1.00 0.00 H new