USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 958 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 135 HIS : no HD1:sc= -15.4! C(o=-15!,f=-16!) USER MOD Set 1.2: A 139 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 119 CYS SG : rot -79:sc= -2.01! USER MOD Set 2.2: A 124 CYS SG : rot 7:sc= 1.07 USER MOD Set 3.1: A 104 GLN : amide:sc= -9.94! C(o=-13!,f=-20!) USER MOD Set 3.2: A 108 ASN : amide:sc= -2.65! C(o=-13!,f=-16!) USER MOD Set 4.1: A 100 SER OG : rot 99:sc= 0.282 USER MOD Set 4.2: A 103 GLN : amide:sc= 0.262 K(o=0.54,f=-1.6) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.0181 X(o=-0.018,f=-0.13) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -162:sc= -0.189 (180deg=-0.675) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 33 ASN :FLIP amide:sc= 0.582 F(o=-0.6,f=0.58) USER MOD Single : A 35 GLN : amide:sc= -3.06! C(o=-3.1!,f=-4.7!) USER MOD Single : A 42 LYS NZ :NH3+ -163:sc= -0.0304 (180deg=-0.217) USER MOD Single : A 44 CYS SG : rot 57:sc= 1.11 USER MOD Single : A 55 SER OG : rot 33:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -110:sc= 0.02 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.288 X(o=-0.29,f=0) USER MOD Single : A 63 MET CE :methyl -157:sc= -2.85 (180deg=-3.52!) USER MOD Single : A 64 ASN : amide:sc= -0.978 K(o=-0.98,f=-4.7!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -134:sc= -1.99 (180deg=-3.3) USER MOD Single : A 74 MET CE :methyl -132:sc= -1.36 (180deg=-3.34!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -126:sc= -1.31 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 165:sc= -0.518 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 152:sc= -0.192 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 78:sc= 1.2 USER MOD Single : A 106 GLN :FLIP amide:sc= -0.539 F(o=-1.2,f=-0.54) USER MOD Single : A 109 THR OG1 : rot 79:sc= 0.636 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.557 K(o=-0.56,f=-1.9) USER MOD Single : A 117 LYS NZ :NH3+ -147:sc= -0.24 (180deg=-1.04) USER MOD Single : A 118 HIS : no HD1:sc= -2.17 K(o=-2.2,f=-3!) USER MOD Single : A 120 HIS : no HD1:sc= -0.0373 X(o=-0.037,f=0) USER MOD Single : A 127 ASN : amide:sc= -1.59 K(o=-1.6,f=-3.2!) USER MOD Single : A 129 THR OG1 : rot -17:sc= 1.02 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -2.682 22.862 4.198 1.00 0.00 N ATOM 67 CA GLU A 8 -2.256 21.763 5.058 1.00 0.00 C ATOM 68 C GLU A 8 -2.403 20.424 4.342 1.00 0.00 C ATOM 69 O GLU A 8 -1.708 19.459 4.661 1.00 0.00 O ATOM 70 CB GLU A 8 -3.071 21.754 6.352 1.00 0.00 C ATOM 71 CG GLU A 8 -4.572 21.682 6.127 1.00 0.00 C ATOM 72 CD GLU A 8 -5.211 23.052 6.008 1.00 0.00 C ATOM 73 OE1 GLU A 8 -5.401 23.709 7.053 1.00 0.00 O ATOM 74 OE2 GLU A 8 -5.520 23.467 4.872 1.00 0.00 O ATOM 0 HA GLU A 8 -1.204 21.912 5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.762 20.903 6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.841 22.654 6.923 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.773 21.112 5.220 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.034 21.140 6.953 1.00 0.00 H new ATOM 81 N GLN A 9 -3.312 20.373 3.374 1.00 0.00 N ATOM 82 CA GLN A 9 -3.551 19.152 2.614 1.00 0.00 C ATOM 83 C GLN A 9 -2.236 18.530 2.156 1.00 0.00 C ATOM 84 O GLN A 9 -2.054 17.315 2.233 1.00 0.00 O ATOM 85 CB GLN A 9 -4.439 19.445 1.403 1.00 0.00 C ATOM 86 CG GLN A 9 -5.153 18.218 0.861 1.00 0.00 C ATOM 87 CD GLN A 9 -6.325 18.572 -0.033 1.00 0.00 C ATOM 88 OE1 GLN A 9 -6.151 18.873 -1.215 1.00 0.00 O ATOM 89 NE2 GLN A 9 -7.529 18.539 0.526 1.00 0.00 N ATOM 0 H GLN A 9 -3.895 21.163 3.097 1.00 0.00 H new ATOM 0 HA GLN A 9 -4.060 18.442 3.266 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -5.181 20.194 1.680 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -3.828 19.879 0.611 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.445 17.608 0.300 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -5.507 17.611 1.694 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.628 18.284 1.509 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.355 18.768 -0.027 1.00 0.00 H new ATOM 98 N ALA A 10 -1.324 19.370 1.680 1.00 0.00 N ATOM 99 CA ALA A 10 -0.025 18.902 1.211 1.00 0.00 C ATOM 100 C ALA A 10 0.722 18.160 2.314 1.00 0.00 C ATOM 101 O ALA A 10 1.328 17.117 2.073 1.00 0.00 O ATOM 102 CB ALA A 10 0.805 20.071 0.703 1.00 0.00 C ATOM 0 H ALA A 10 -1.460 20.378 1.609 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.192 18.205 0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.772 19.707 0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.283 20.557 -0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.955 20.788 1.510 1.00 0.00 H new ATOM 108 N GLU A 11 0.675 18.707 3.526 1.00 0.00 N ATOM 109 CA GLU A 11 1.349 18.096 4.665 1.00 0.00 C ATOM 110 C GLU A 11 0.741 16.735 4.992 1.00 0.00 C ATOM 111 O GLU A 11 1.445 15.728 5.057 1.00 0.00 O ATOM 112 CB GLU A 11 1.263 19.012 5.888 1.00 0.00 C ATOM 113 CG GLU A 11 1.825 20.403 5.647 1.00 0.00 C ATOM 114 CD GLU A 11 1.890 21.234 6.914 1.00 0.00 C ATOM 115 OE1 GLU A 11 2.292 20.687 7.962 1.00 0.00 O ATOM 116 OE2 GLU A 11 1.538 22.431 6.856 1.00 0.00 O ATOM 0 H GLU A 11 0.178 19.571 3.743 1.00 0.00 H new ATOM 0 HA GLU A 11 2.396 17.952 4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.220 19.098 6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.801 18.550 6.716 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.825 20.318 5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.208 20.918 4.911 1.00 0.00 H new ATOM 123 N ALA A 12 -0.572 16.714 5.198 1.00 0.00 N ATOM 124 CA ALA A 12 -1.276 15.478 5.516 1.00 0.00 C ATOM 125 C ALA A 12 -0.700 14.302 4.735 1.00 0.00 C ATOM 126 O ALA A 12 -0.568 13.199 5.266 1.00 0.00 O ATOM 127 CB ALA A 12 -2.762 15.628 5.229 1.00 0.00 C ATOM 0 H ALA A 12 -1.169 17.539 5.150 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.142 15.275 6.579 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.275 14.697 5.471 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.170 16.436 5.836 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.907 15.858 4.174 1.00 0.00 H new ATOM 133 N GLN A 13 -0.360 14.544 3.474 1.00 0.00 N ATOM 134 CA GLN A 13 0.201 13.503 2.620 1.00 0.00 C ATOM 135 C GLN A 13 1.649 13.210 2.998 1.00 0.00 C ATOM 136 O GLN A 13 1.976 12.106 3.434 1.00 0.00 O ATOM 137 CB GLN A 13 0.119 13.921 1.151 1.00 0.00 C ATOM 138 CG GLN A 13 -1.229 13.634 0.511 1.00 0.00 C ATOM 139 CD GLN A 13 -1.489 14.491 -0.712 1.00 0.00 C ATOM 140 OE1 GLN A 13 -1.423 15.719 -0.649 1.00 0.00 O ATOM 141 NE2 GLN A 13 -1.787 13.847 -1.835 1.00 0.00 N ATOM 0 H GLN A 13 -0.463 15.452 3.020 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.383 12.594 2.765 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.329 14.988 1.073 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.896 13.402 0.590 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.277 12.582 0.229 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.018 13.804 1.243 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.831 12.828 -1.842 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.972 14.372 -2.690 1.00 0.00 H new ATOM 150 N LEU A 14 2.512 14.206 2.829 1.00 0.00 N ATOM 151 CA LEU A 14 3.927 14.055 3.153 1.00 0.00 C ATOM 152 C LEU A 14 4.106 13.385 4.511 1.00 0.00 C ATOM 153 O LEU A 14 4.769 12.354 4.623 1.00 0.00 O ATOM 154 CB LEU A 14 4.619 15.419 3.148 1.00 0.00 C ATOM 155 CG LEU A 14 6.124 15.408 3.421 1.00 0.00 C ATOM 156 CD1 LEU A 14 6.876 14.806 2.244 1.00 0.00 C ATOM 157 CD2 LEU A 14 6.623 16.816 3.710 1.00 0.00 C ATOM 0 H LEU A 14 2.257 15.126 2.470 1.00 0.00 H new ATOM 0 HA LEU A 14 4.383 13.420 2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.449 15.887 2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.139 16.051 3.895 1.00 0.00 H new ATOM 0 HG LEU A 14 6.310 14.790 4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.945 14.807 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.539 13.782 2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.684 15.397 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.696 16.790 3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.424 17.456 2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.107 17.212 4.585 1.00 0.00 H new ATOM 169 N ALA A 15 3.510 13.978 5.541 1.00 0.00 N ATOM 170 CA ALA A 15 3.600 13.436 6.891 1.00 0.00 C ATOM 171 C ALA A 15 3.623 11.912 6.871 1.00 0.00 C ATOM 172 O ALA A 15 4.520 11.289 7.437 1.00 0.00 O ATOM 173 CB ALA A 15 2.441 13.937 7.739 1.00 0.00 C ATOM 0 H ALA A 15 2.960 14.834 5.466 1.00 0.00 H new ATOM 0 HA ALA A 15 4.535 13.781 7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.521 13.524 8.745 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.471 15.025 7.790 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.499 13.621 7.291 1.00 0.00 H new ATOM 179 N GLU A 16 2.631 11.318 6.215 1.00 0.00 N ATOM 180 CA GLU A 16 2.538 9.866 6.124 1.00 0.00 C ATOM 181 C GLU A 16 3.769 9.284 5.434 1.00 0.00 C ATOM 182 O GLU A 16 4.517 8.505 6.026 1.00 0.00 O ATOM 183 CB GLU A 16 1.274 9.460 5.362 1.00 0.00 C ATOM 184 CG GLU A 16 0.855 8.020 5.603 1.00 0.00 C ATOM 185 CD GLU A 16 0.710 7.692 7.076 1.00 0.00 C ATOM 186 OE1 GLU A 16 0.365 8.604 7.856 1.00 0.00 O ATOM 187 OE2 GLU A 16 0.943 6.523 7.449 1.00 0.00 O ATOM 0 H GLU A 16 1.881 11.820 5.739 1.00 0.00 H new ATOM 0 HA GLU A 16 2.487 9.467 7.137 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.457 10.121 5.652 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.440 9.608 4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.093 7.832 5.098 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.592 7.352 5.157 1.00 0.00 H new ATOM 194 N LEU A 17 3.973 9.668 4.179 1.00 0.00 N ATOM 195 CA LEU A 17 5.112 9.185 3.406 1.00 0.00 C ATOM 196 C LEU A 17 6.382 9.182 4.253 1.00 0.00 C ATOM 197 O LEU A 17 7.059 8.161 4.371 1.00 0.00 O ATOM 198 CB LEU A 17 5.316 10.053 2.164 1.00 0.00 C ATOM 199 CG LEU A 17 4.102 10.210 1.248 1.00 0.00 C ATOM 200 CD1 LEU A 17 4.234 11.462 0.395 1.00 0.00 C ATOM 201 CD2 LEU A 17 3.935 8.979 0.368 1.00 0.00 C ATOM 0 H LEU A 17 3.364 10.313 3.675 1.00 0.00 H new ATOM 0 HA LEU A 17 4.901 8.162 3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.633 11.045 2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.134 9.631 1.581 1.00 0.00 H new ATOM 0 HG LEU A 17 3.213 10.311 1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.361 11.556 -0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.304 12.337 1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.132 11.391 -0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.066 9.108 -0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.826 8.847 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.793 8.099 0.996 1.00 0.00 H new ATOM 213 N ASP A 18 6.697 10.331 4.841 1.00 0.00 N ATOM 214 CA ASP A 18 7.883 10.461 5.679 1.00 0.00 C ATOM 215 C ASP A 18 7.923 9.362 6.737 1.00 0.00 C ATOM 216 O ASP A 18 8.975 8.778 7.002 1.00 0.00 O ATOM 217 CB ASP A 18 7.911 11.834 6.351 1.00 0.00 C ATOM 218 CG ASP A 18 9.147 12.036 7.205 1.00 0.00 C ATOM 219 OD1 ASP A 18 10.264 11.804 6.697 1.00 0.00 O ATOM 220 OD2 ASP A 18 8.997 12.426 8.382 1.00 0.00 O ATOM 0 H ASP A 18 6.147 11.186 4.753 1.00 0.00 H new ATOM 0 HA ASP A 18 8.761 10.360 5.042 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.870 12.610 5.587 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.022 11.950 6.971 1.00 0.00 H new ATOM 225 N LEU A 19 6.772 9.087 7.341 1.00 0.00 N ATOM 226 CA LEU A 19 6.675 8.059 8.371 1.00 0.00 C ATOM 227 C LEU A 19 6.925 6.674 7.784 1.00 0.00 C ATOM 228 O LEU A 19 7.741 5.908 8.299 1.00 0.00 O ATOM 229 CB LEU A 19 5.297 8.103 9.035 1.00 0.00 C ATOM 230 CG LEU A 19 4.866 6.834 9.771 1.00 0.00 C ATOM 231 CD1 LEU A 19 5.757 6.588 10.978 1.00 0.00 C ATOM 232 CD2 LEU A 19 3.407 6.932 10.193 1.00 0.00 C ATOM 0 H LEU A 19 5.893 9.562 7.135 1.00 0.00 H new ATOM 0 HA LEU A 19 7.440 8.258 9.121 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.283 8.932 9.743 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.554 8.325 8.269 1.00 0.00 H new ATOM 0 HG LEU A 19 4.971 5.989 9.091 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.435 5.681 11.489 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.790 6.473 10.650 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.686 7.434 11.661 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.117 6.020 10.715 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.277 7.787 10.856 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.781 7.059 9.310 1.00 0.00 H new ATOM 244 N LEU A 20 6.219 6.359 6.704 1.00 0.00 N ATOM 245 CA LEU A 20 6.366 5.066 6.044 1.00 0.00 C ATOM 246 C LEU A 20 7.834 4.761 5.765 1.00 0.00 C ATOM 247 O LEU A 20 8.380 3.778 6.265 1.00 0.00 O ATOM 248 CB LEU A 20 5.571 5.045 4.738 1.00 0.00 C ATOM 249 CG LEU A 20 4.053 4.929 4.877 1.00 0.00 C ATOM 250 CD1 LEU A 20 3.366 5.328 3.581 1.00 0.00 C ATOM 251 CD2 LEU A 20 3.660 3.515 5.278 1.00 0.00 C ATOM 0 H LEU A 20 5.539 6.981 6.266 1.00 0.00 H new ATOM 0 HA LEU A 20 5.976 4.298 6.712 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.796 5.957 4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.925 4.210 4.134 1.00 0.00 H new ATOM 0 HG LEU A 20 3.727 5.611 5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.286 5.239 3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.621 6.359 3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.698 4.672 2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.576 3.452 5.372 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.000 2.813 4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.122 3.266 6.233 1.00 0.00 H new ATOM 263 N ALA A 21 8.468 5.611 4.964 1.00 0.00 N ATOM 264 CA ALA A 21 9.874 5.435 4.621 1.00 0.00 C ATOM 265 C ALA A 21 10.666 4.903 5.810 1.00 0.00 C ATOM 266 O ALA A 21 11.513 4.023 5.660 1.00 0.00 O ATOM 267 CB ALA A 21 10.467 6.749 4.135 1.00 0.00 C ATOM 0 H ALA A 21 8.030 6.429 4.540 1.00 0.00 H new ATOM 0 HA ALA A 21 9.938 4.701 3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.517 6.603 3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.925 7.088 3.252 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.384 7.499 4.922 1.00 0.00 H new ATOM 273 N SER A 22 10.385 5.443 6.992 1.00 0.00 N ATOM 274 CA SER A 22 11.075 5.025 8.207 1.00 0.00 C ATOM 275 C SER A 22 10.489 3.723 8.744 1.00 0.00 C ATOM 276 O SER A 22 11.216 2.851 9.217 1.00 0.00 O ATOM 277 CB SER A 22 10.982 6.118 9.273 1.00 0.00 C ATOM 278 OG SER A 22 11.769 7.243 8.920 1.00 0.00 O ATOM 0 H SER A 22 9.684 6.171 7.134 1.00 0.00 H new ATOM 0 HA SER A 22 12.123 4.856 7.961 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.943 6.422 9.397 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.316 5.724 10.233 1.00 0.00 H new ATOM 0 HG SER A 22 11.691 7.928 9.616 1.00 0.00 H new ATOM 284 N MET A 23 9.168 3.601 8.668 1.00 0.00 N ATOM 285 CA MET A 23 8.482 2.405 9.145 1.00 0.00 C ATOM 286 C MET A 23 9.123 1.146 8.572 1.00 0.00 C ATOM 287 O MET A 23 9.355 0.173 9.290 1.00 0.00 O ATOM 288 CB MET A 23 7.001 2.455 8.767 1.00 0.00 C ATOM 289 CG MET A 23 6.168 3.335 9.686 1.00 0.00 C ATOM 290 SD MET A 23 6.248 2.811 11.409 1.00 0.00 S ATOM 291 CE MET A 23 5.671 1.120 11.276 1.00 0.00 C ATOM 0 H MET A 23 8.551 4.315 8.281 1.00 0.00 H new ATOM 0 HA MET A 23 8.571 2.375 10.231 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.908 2.821 7.744 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.596 1.443 8.782 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.514 4.366 9.607 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.130 3.321 9.354 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.360 0.763 12.258 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.825 1.077 10.590 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.476 0.489 10.899 1.00 0.00 H new ATOM 301 N PHE A 24 9.408 1.170 7.274 1.00 0.00 N ATOM 302 CA PHE A 24 10.021 0.029 6.604 1.00 0.00 C ATOM 303 C PHE A 24 11.499 0.289 6.331 1.00 0.00 C ATOM 304 O PHE A 24 11.876 0.869 5.312 1.00 0.00 O ATOM 305 CB PHE A 24 9.293 -0.271 5.292 1.00 0.00 C ATOM 306 CG PHE A 24 7.818 -0.496 5.463 1.00 0.00 C ATOM 307 CD1 PHE A 24 6.946 0.577 5.556 1.00 0.00 C ATOM 308 CD2 PHE A 24 7.303 -1.780 5.529 1.00 0.00 C ATOM 309 CE1 PHE A 24 5.588 0.373 5.714 1.00 0.00 C ATOM 310 CE2 PHE A 24 5.946 -1.991 5.686 1.00 0.00 C ATOM 311 CZ PHE A 24 5.087 -0.913 5.778 1.00 0.00 C ATOM 0 H PHE A 24 9.224 1.967 6.665 1.00 0.00 H new ATOM 0 HA PHE A 24 9.938 -0.835 7.263 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.448 0.558 4.602 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.737 -1.155 4.833 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.332 1.584 5.504 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.970 -2.627 5.457 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.919 1.218 5.787 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.558 -2.998 5.737 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.026 -1.075 5.900 1.00 0.00 H new ATOM 357 N ASN A 28 14.579 -3.637 0.211 1.00 0.00 N ATOM 358 CA ASN A 28 13.617 -3.957 -0.837 1.00 0.00 C ATOM 359 C ASN A 28 12.218 -4.136 -0.256 1.00 0.00 C ATOM 360 O ASN A 28 11.596 -5.185 -0.420 1.00 0.00 O ATOM 361 CB ASN A 28 14.040 -5.228 -1.576 1.00 0.00 C ATOM 362 CG ASN A 28 15.071 -4.954 -2.654 1.00 0.00 C ATOM 363 OD1 ASN A 28 14.788 -4.278 -3.643 1.00 0.00 O ATOM 364 ND2 ASN A 28 16.276 -5.480 -2.466 1.00 0.00 N ATOM 0 HA ASN A 28 13.595 -3.125 -1.541 1.00 0.00 H new ATOM 0 HB2 ASN A 28 14.447 -5.942 -0.861 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.163 -5.693 -2.026 1.00 0.00 H new ATOM 0 HD21 ASN A 28 17.011 -5.330 -3.157 1.00 0.00 H new ATOM 0 HD22 ASN A 28 16.466 -6.034 -1.631 1.00 0.00 H new ATOM 371 N GLU A 29 11.729 -3.103 0.423 1.00 0.00 N ATOM 372 CA GLU A 29 10.403 -3.147 1.029 1.00 0.00 C ATOM 373 C GLU A 29 9.487 -2.093 0.412 1.00 0.00 C ATOM 374 O GLU A 29 8.300 -2.338 0.192 1.00 0.00 O ATOM 375 CB GLU A 29 10.501 -2.930 2.541 1.00 0.00 C ATOM 376 CG GLU A 29 11.307 -1.701 2.928 1.00 0.00 C ATOM 377 CD GLU A 29 10.519 -0.415 2.776 1.00 0.00 C ATOM 378 OE1 GLU A 29 9.276 -0.488 2.691 1.00 0.00 O ATOM 379 OE2 GLU A 29 11.146 0.665 2.741 1.00 0.00 O ATOM 0 H GLU A 29 12.230 -2.226 0.567 1.00 0.00 H new ATOM 0 HA GLU A 29 9.977 -4.132 0.837 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.496 -2.839 2.953 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.954 -3.810 2.997 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.639 -1.799 3.962 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.203 -1.649 2.309 1.00 0.00 H new ATOM 386 N LEU A 30 10.047 -0.921 0.134 1.00 0.00 N ATOM 387 CA LEU A 30 9.282 0.171 -0.457 1.00 0.00 C ATOM 388 C LEU A 30 10.138 0.965 -1.439 1.00 0.00 C ATOM 389 O LEU A 30 11.199 1.476 -1.081 1.00 0.00 O ATOM 390 CB LEU A 30 8.748 1.098 0.637 1.00 0.00 C ATOM 391 CG LEU A 30 8.284 2.480 0.178 1.00 0.00 C ATOM 392 CD1 LEU A 30 7.153 2.984 1.061 1.00 0.00 C ATOM 393 CD2 LEU A 30 9.446 3.463 0.184 1.00 0.00 C ATOM 0 H LEU A 30 11.028 -0.703 0.308 1.00 0.00 H new ATOM 0 HA LEU A 30 8.441 -0.260 -1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.912 0.601 1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.528 1.229 1.387 1.00 0.00 H new ATOM 0 HG LEU A 30 7.911 2.396 -0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.836 3.969 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.312 2.293 1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.499 3.052 2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.097 4.441 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.850 3.543 1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.225 3.110 -0.491 1.00 0.00 H new ATOM 405 N ILE A 31 9.667 1.067 -2.678 1.00 0.00 N ATOM 406 CA ILE A 31 10.387 1.802 -3.710 1.00 0.00 C ATOM 407 C ILE A 31 9.514 2.894 -4.318 1.00 0.00 C ATOM 408 O ILE A 31 8.473 2.613 -4.912 1.00 0.00 O ATOM 409 CB ILE A 31 10.874 0.866 -4.832 1.00 0.00 C ATOM 410 CG1 ILE A 31 11.804 -0.208 -4.263 1.00 0.00 C ATOM 411 CG2 ILE A 31 11.581 1.664 -5.918 1.00 0.00 C ATOM 412 CD1 ILE A 31 11.081 -1.465 -3.830 1.00 0.00 C ATOM 0 H ILE A 31 8.790 0.650 -2.991 1.00 0.00 H new ATOM 0 HA ILE A 31 11.251 2.258 -3.227 1.00 0.00 H new ATOM 0 HB ILE A 31 10.008 0.373 -5.275 1.00 0.00 H new ATOM 0 HG12 ILE A 31 12.549 -0.468 -5.015 1.00 0.00 H new ATOM 0 HG13 ILE A 31 12.343 0.204 -3.410 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.919 0.989 -6.704 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.891 2.395 -6.340 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.440 2.181 -5.489 1.00 0.00 H new ATOM 0 HD11 ILE A 31 11.802 -2.182 -3.437 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.355 -1.219 -3.055 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.565 -1.901 -4.685 1.00 0.00 H new ATOM 424 N VAL A 32 9.946 4.142 -4.167 1.00 0.00 N ATOM 425 CA VAL A 32 9.205 5.278 -4.704 1.00 0.00 C ATOM 426 C VAL A 32 9.782 5.727 -6.042 1.00 0.00 C ATOM 427 O VAL A 32 10.768 6.461 -6.089 1.00 0.00 O ATOM 428 CB VAL A 32 9.217 6.468 -3.726 1.00 0.00 C ATOM 429 CG1 VAL A 32 8.716 7.729 -4.414 1.00 0.00 C ATOM 430 CG2 VAL A 32 8.381 6.154 -2.495 1.00 0.00 C ATOM 0 H VAL A 32 10.805 4.392 -3.677 1.00 0.00 H new ATOM 0 HA VAL A 32 8.177 4.946 -4.848 1.00 0.00 H new ATOM 0 HB VAL A 32 10.244 6.642 -3.404 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.731 8.559 -3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 32 9.361 7.962 -5.262 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.697 7.571 -4.766 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.401 7.006 -1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.353 5.953 -2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.790 5.278 -1.991 1.00 0.00 H new ATOM 440 N ASN A 33 9.158 5.282 -7.128 1.00 0.00 N ATOM 441 CA ASN A 33 9.609 5.638 -8.468 1.00 0.00 C ATOM 442 C ASN A 33 9.420 7.130 -8.727 1.00 0.00 C ATOM 443 O ASN A 33 10.309 7.796 -9.256 1.00 0.00 O ATOM 444 CB ASN A 33 8.848 4.826 -9.518 1.00 0.00 C ATOM 445 CG ASN A 33 8.582 3.403 -9.066 1.00 0.00 C ATOM 446 OD1 ASN A 33 9.649 2.644 -8.841 1.00 0.00 O flip ATOM 447 ND2 ASN A 33 7.431 2.991 -8.921 1.00 0.00 N flip ATOM 0 H ASN A 33 8.339 4.674 -7.106 1.00 0.00 H new ATOM 0 HA ASN A 33 10.672 5.406 -8.540 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.900 5.318 -9.737 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.420 4.809 -10.445 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.641 3.609 -9.105 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.267 2.031 -8.617 1.00 0.00 H new ATOM 454 N ASP A 34 8.255 7.646 -8.351 1.00 0.00 N ATOM 455 CA ASP A 34 7.949 9.059 -8.541 1.00 0.00 C ATOM 456 C ASP A 34 8.627 9.911 -7.472 1.00 0.00 C ATOM 457 O ASP A 34 8.128 10.032 -6.353 1.00 0.00 O ATOM 458 CB ASP A 34 6.436 9.284 -8.506 1.00 0.00 C ATOM 459 CG ASP A 34 6.007 10.467 -9.351 1.00 0.00 C ATOM 460 OD1 ASP A 34 6.626 11.544 -9.222 1.00 0.00 O ATOM 461 OD2 ASP A 34 5.053 10.315 -10.142 1.00 0.00 O ATOM 0 H ASP A 34 7.508 7.107 -7.913 1.00 0.00 H new ATOM 0 HA ASP A 34 8.331 9.360 -9.516 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.930 8.386 -8.860 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.119 9.443 -7.475 1.00 0.00 H new ATOM 466 N GLN A 35 9.766 10.497 -7.825 1.00 0.00 N ATOM 467 CA GLN A 35 10.513 11.336 -6.894 1.00 0.00 C ATOM 468 C GLN A 35 10.045 12.785 -6.972 1.00 0.00 C ATOM 469 O GLN A 35 9.987 13.485 -5.960 1.00 0.00 O ATOM 470 CB GLN A 35 12.012 11.254 -7.192 1.00 0.00 C ATOM 471 CG GLN A 35 12.721 10.137 -6.444 1.00 0.00 C ATOM 472 CD GLN A 35 12.680 8.818 -7.190 1.00 0.00 C ATOM 473 OE1 GLN A 35 12.476 8.784 -8.404 1.00 0.00 O ATOM 474 NE2 GLN A 35 12.875 7.722 -6.466 1.00 0.00 N ATOM 0 H GLN A 35 10.192 10.407 -8.747 1.00 0.00 H new ATOM 0 HA GLN A 35 10.330 10.969 -5.884 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.154 11.110 -8.263 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.478 12.205 -6.934 1.00 0.00 H new ATOM 0 HG2 GLN A 35 13.759 10.421 -6.273 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.260 10.011 -5.465 1.00 0.00 H new ATOM 0 HE21 GLN A 35 13.041 7.797 -5.462 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.859 6.806 -6.914 1.00 0.00 H new ATOM 483 N LEU A 36 9.713 13.230 -8.179 1.00 0.00 N ATOM 484 CA LEU A 36 9.250 14.598 -8.389 1.00 0.00 C ATOM 485 C LEU A 36 7.997 14.881 -7.567 1.00 0.00 C ATOM 486 O LEU A 36 7.851 15.959 -6.991 1.00 0.00 O ATOM 487 CB LEU A 36 8.965 14.838 -9.873 1.00 0.00 C ATOM 488 CG LEU A 36 9.020 16.293 -10.339 1.00 0.00 C ATOM 489 CD1 LEU A 36 10.461 16.738 -10.535 1.00 0.00 C ATOM 490 CD2 LEU A 36 8.226 16.471 -11.625 1.00 0.00 C ATOM 0 H LEU A 36 9.756 12.664 -9.027 1.00 0.00 H new ATOM 0 HA LEU A 36 10.038 15.277 -8.062 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.682 14.262 -10.458 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.976 14.441 -10.101 1.00 0.00 H new ATOM 0 HG LEU A 36 8.571 16.918 -9.567 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.479 17.776 -10.867 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.001 16.649 -9.592 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.937 16.108 -11.287 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.276 17.513 -11.942 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.646 15.834 -12.403 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.186 16.194 -11.452 1.00 0.00 H new ATOM 502 N ALA A 37 7.097 13.905 -7.514 1.00 0.00 N ATOM 503 CA ALA A 37 5.858 14.047 -6.759 1.00 0.00 C ATOM 504 C ALA A 37 6.141 14.407 -5.304 1.00 0.00 C ATOM 505 O ALA A 37 5.429 15.213 -4.704 1.00 0.00 O ATOM 506 CB ALA A 37 5.041 12.766 -6.838 1.00 0.00 C ATOM 0 H ALA A 37 7.203 13.007 -7.985 1.00 0.00 H new ATOM 0 HA ALA A 37 5.282 14.859 -7.203 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.119 12.887 -6.270 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.800 12.552 -7.879 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.618 11.940 -6.422 1.00 0.00 H new ATOM 512 N VAL A 38 7.184 13.805 -4.742 1.00 0.00 N ATOM 513 CA VAL A 38 7.561 14.063 -3.357 1.00 0.00 C ATOM 514 C VAL A 38 8.391 15.336 -3.242 1.00 0.00 C ATOM 515 O VAL A 38 8.059 16.237 -2.471 1.00 0.00 O ATOM 516 CB VAL A 38 8.361 12.887 -2.765 1.00 0.00 C ATOM 517 CG1 VAL A 38 8.790 13.197 -1.339 1.00 0.00 C ATOM 518 CG2 VAL A 38 7.541 11.606 -2.817 1.00 0.00 C ATOM 0 H VAL A 38 7.783 13.135 -5.224 1.00 0.00 H new ATOM 0 HA VAL A 38 6.635 14.184 -2.794 1.00 0.00 H new ATOM 0 HB VAL A 38 9.259 12.742 -3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.354 12.355 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.417 14.089 -1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.908 13.370 -0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.121 10.785 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.625 11.737 -2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.289 11.377 -3.852 1.00 0.00 H new ATOM 528 N ALA A 39 9.471 15.405 -4.013 1.00 0.00 N ATOM 529 CA ALA A 39 10.347 16.570 -3.999 1.00 0.00 C ATOM 530 C ALA A 39 9.546 17.861 -4.128 1.00 0.00 C ATOM 531 O ALA A 39 9.801 18.833 -3.418 1.00 0.00 O ATOM 532 CB ALA A 39 11.375 16.471 -5.116 1.00 0.00 C ATOM 0 H ALA A 39 9.760 14.668 -4.655 1.00 0.00 H new ATOM 0 HA ALA A 39 10.868 16.590 -3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.022 17.348 -5.093 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.976 15.572 -4.978 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.864 16.422 -6.078 1.00 0.00 H new ATOM 538 N GLU A 40 8.576 17.862 -5.038 1.00 0.00 N ATOM 539 CA GLU A 40 7.739 19.036 -5.259 1.00 0.00 C ATOM 540 C GLU A 40 6.839 19.297 -4.055 1.00 0.00 C ATOM 541 O GLU A 40 6.673 20.440 -3.626 1.00 0.00 O ATOM 542 CB GLU A 40 6.887 18.851 -6.517 1.00 0.00 C ATOM 543 CG GLU A 40 7.610 19.221 -7.801 1.00 0.00 C ATOM 544 CD GLU A 40 7.555 20.708 -8.094 1.00 0.00 C ATOM 545 OE1 GLU A 40 6.493 21.184 -8.546 1.00 0.00 O ATOM 546 OE2 GLU A 40 8.575 21.394 -7.872 1.00 0.00 O ATOM 0 H GLU A 40 8.351 17.065 -5.633 1.00 0.00 H new ATOM 0 HA GLU A 40 8.393 19.898 -5.395 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.565 17.811 -6.578 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.987 19.459 -6.429 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.651 18.907 -7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.167 18.674 -8.633 1.00 0.00 H new ATOM 553 N LEU A 41 6.260 18.231 -3.515 1.00 0.00 N ATOM 554 CA LEU A 41 5.376 18.344 -2.360 1.00 0.00 C ATOM 555 C LEU A 41 6.084 19.030 -1.196 1.00 0.00 C ATOM 556 O LEU A 41 5.528 19.923 -0.556 1.00 0.00 O ATOM 557 CB LEU A 41 4.888 16.959 -1.929 1.00 0.00 C ATOM 558 CG LEU A 41 3.729 16.936 -0.931 1.00 0.00 C ATOM 559 CD1 LEU A 41 2.435 17.362 -1.606 1.00 0.00 C ATOM 560 CD2 LEU A 41 3.582 15.552 -0.317 1.00 0.00 C ATOM 0 H LEU A 41 6.386 17.279 -3.858 1.00 0.00 H new ATOM 0 HA LEU A 41 4.519 18.952 -2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.585 16.409 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.728 16.420 -1.492 1.00 0.00 H new ATOM 0 HG LEU A 41 3.948 17.645 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.622 17.340 -0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.545 18.373 -1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.210 16.679 -2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.753 15.554 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.386 14.824 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.502 15.285 0.203 1.00 0.00 H new ATOM 572 N LYS A 42 7.316 18.610 -0.929 1.00 0.00 N ATOM 573 CA LYS A 42 8.103 19.186 0.154 1.00 0.00 C ATOM 574 C LYS A 42 8.253 20.694 -0.024 1.00 0.00 C ATOM 575 O LYS A 42 7.985 21.466 0.897 1.00 0.00 O ATOM 576 CB LYS A 42 9.484 18.529 0.213 1.00 0.00 C ATOM 577 CG LYS A 42 9.506 17.228 0.996 1.00 0.00 C ATOM 578 CD LYS A 42 10.600 16.297 0.500 1.00 0.00 C ATOM 579 CE LYS A 42 10.815 15.132 1.453 1.00 0.00 C ATOM 580 NZ LYS A 42 11.415 15.574 2.743 1.00 0.00 N ATOM 0 H LYS A 42 7.791 17.872 -1.449 1.00 0.00 H new ATOM 0 HA LYS A 42 7.578 18.999 1.091 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.830 18.338 -0.803 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.190 19.227 0.664 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.660 17.441 2.054 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.539 16.733 0.909 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.336 15.917 -0.487 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.530 16.854 0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.862 14.640 1.646 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.466 14.394 0.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.809 14.751 3.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.173 16.261 2.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.683 16.019 3.332 1.00 0.00 H new ATOM 594 N ASP A 43 8.680 21.105 -1.212 1.00 0.00 N ATOM 595 CA ASP A 43 8.862 22.521 -1.511 1.00 0.00 C ATOM 596 C ASP A 43 7.558 23.289 -1.320 1.00 0.00 C ATOM 597 O ASP A 43 7.500 24.251 -0.553 1.00 0.00 O ATOM 598 CB ASP A 43 9.369 22.700 -2.943 1.00 0.00 C ATOM 599 CG ASP A 43 10.002 24.059 -3.167 1.00 0.00 C ATOM 600 OD1 ASP A 43 10.537 24.632 -2.195 1.00 0.00 O ATOM 601 OD2 ASP A 43 9.962 24.551 -4.315 1.00 0.00 O ATOM 0 H ASP A 43 8.907 20.478 -1.984 1.00 0.00 H new ATOM 0 HA ASP A 43 9.603 22.921 -0.819 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.098 21.921 -3.167 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.540 22.570 -3.638 1.00 0.00 H new ATOM 606 N CYS A 44 6.516 22.859 -2.022 1.00 0.00 N ATOM 607 CA CYS A 44 5.213 23.507 -1.930 1.00 0.00 C ATOM 608 C CYS A 44 4.917 23.934 -0.496 1.00 0.00 C ATOM 609 O CYS A 44 4.524 25.074 -0.246 1.00 0.00 O ATOM 610 CB CYS A 44 4.116 22.567 -2.432 1.00 0.00 C ATOM 611 SG CYS A 44 4.362 21.983 -4.126 1.00 0.00 S ATOM 0 H CYS A 44 6.548 22.065 -2.661 1.00 0.00 H new ATOM 0 HA CYS A 44 5.233 24.398 -2.558 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.058 21.705 -1.767 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.157 23.081 -2.372 1.00 0.00 H new ATOM 0 HG CYS A 44 5.519 21.398 -4.220 1.00 0.00 H new ATOM 617 N ILE A 45 5.106 23.011 0.441 1.00 0.00 N ATOM 618 CA ILE A 45 4.859 23.291 1.850 1.00 0.00 C ATOM 619 C ILE A 45 5.729 24.443 2.342 1.00 0.00 C ATOM 620 O ILE A 45 5.221 25.452 2.830 1.00 0.00 O ATOM 621 CB ILE A 45 5.124 22.052 2.725 1.00 0.00 C ATOM 622 CG1 ILE A 45 4.219 20.895 2.297 1.00 0.00 C ATOM 623 CG2 ILE A 45 4.907 22.386 4.194 1.00 0.00 C ATOM 624 CD1 ILE A 45 4.611 19.566 2.901 1.00 0.00 C ATOM 0 H ILE A 45 5.429 22.063 0.250 1.00 0.00 H new ATOM 0 HA ILE A 45 3.809 23.569 1.937 1.00 0.00 H new ATOM 0 HB ILE A 45 6.161 21.745 2.591 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.192 21.124 2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.240 20.811 1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.098 21.501 4.800 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.589 23.183 4.491 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.878 22.714 4.344 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.926 18.792 2.554 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.627 19.314 2.597 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.563 19.632 3.988 1.00 0.00 H new ATOM 636 N GLU A 46 7.042 24.285 2.208 1.00 0.00 N ATOM 637 CA GLU A 46 7.982 25.313 2.638 1.00 0.00 C ATOM 638 C GLU A 46 7.592 26.677 2.077 1.00 0.00 C ATOM 639 O GLU A 46 7.603 27.681 2.789 1.00 0.00 O ATOM 640 CB GLU A 46 9.402 24.954 2.195 1.00 0.00 C ATOM 641 CG GLU A 46 10.073 23.917 3.081 1.00 0.00 C ATOM 642 CD GLU A 46 11.249 23.242 2.401 1.00 0.00 C ATOM 643 OE1 GLU A 46 12.237 23.940 2.093 1.00 0.00 O ATOM 644 OE2 GLU A 46 11.180 22.015 2.179 1.00 0.00 O ATOM 0 H GLU A 46 7.478 23.456 1.805 1.00 0.00 H new ATOM 0 HA GLU A 46 7.951 25.365 3.726 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.370 24.580 1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.010 25.859 2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.414 24.395 3.999 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.341 23.162 3.368 1.00 0.00 H new ATOM 783 N SER A 55 2.080 15.676 -10.299 1.00 0.00 N ATOM 784 CA SER A 55 2.657 14.337 -10.283 1.00 0.00 C ATOM 785 C SER A 55 2.097 13.519 -9.124 1.00 0.00 C ATOM 786 O SER A 55 2.185 13.921 -7.963 1.00 0.00 O ATOM 787 CB SER A 55 4.181 14.418 -10.176 1.00 0.00 C ATOM 788 OG SER A 55 4.760 14.783 -11.416 1.00 0.00 O ATOM 0 HA SER A 55 2.391 13.841 -11.217 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.457 15.147 -9.414 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.578 13.455 -9.855 1.00 0.00 H new ATOM 0 HG SER A 55 4.156 15.389 -11.893 1.00 0.00 H new ATOM 794 N LYS A 56 1.520 12.366 -9.446 1.00 0.00 N ATOM 795 CA LYS A 56 0.946 11.487 -8.434 1.00 0.00 C ATOM 796 C LYS A 56 2.033 10.670 -7.743 1.00 0.00 C ATOM 797 O LYS A 56 2.937 10.145 -8.393 1.00 0.00 O ATOM 798 CB LYS A 56 -0.085 10.551 -9.068 1.00 0.00 C ATOM 799 CG LYS A 56 -1.496 11.114 -9.073 1.00 0.00 C ATOM 800 CD LYS A 56 -2.457 10.204 -9.818 1.00 0.00 C ATOM 801 CE LYS A 56 -3.596 10.991 -10.447 1.00 0.00 C ATOM 802 NZ LYS A 56 -3.262 11.445 -11.825 1.00 0.00 N ATOM 0 H LYS A 56 1.438 12.018 -10.401 1.00 0.00 H new ATOM 0 HA LYS A 56 0.453 12.108 -7.686 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.215 10.335 -10.094 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.083 9.603 -8.529 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.840 11.246 -8.047 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.494 12.100 -9.537 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.917 9.660 -10.593 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.863 9.461 -9.131 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.493 10.372 -10.476 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.826 11.856 -9.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.135 12.477 -11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.383 10.986 -12.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.035 11.189 -12.472 1.00 0.00 H new ATOM 816 N VAL A 57 1.938 10.566 -6.421 1.00 0.00 N ATOM 817 CA VAL A 57 2.912 9.810 -5.642 1.00 0.00 C ATOM 818 C VAL A 57 2.776 8.313 -5.896 1.00 0.00 C ATOM 819 O VAL A 57 1.882 7.660 -5.356 1.00 0.00 O ATOM 820 CB VAL A 57 2.756 10.081 -4.134 1.00 0.00 C ATOM 821 CG1 VAL A 57 3.735 9.234 -3.335 1.00 0.00 C ATOM 822 CG2 VAL A 57 2.951 11.559 -3.836 1.00 0.00 C ATOM 0 H VAL A 57 1.197 10.996 -5.867 1.00 0.00 H new ATOM 0 HA VAL A 57 3.900 10.141 -5.962 1.00 0.00 H new ATOM 0 HB VAL A 57 1.745 9.804 -3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.610 9.439 -2.272 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.543 8.178 -3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.755 9.477 -3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.837 11.733 -2.766 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.949 11.865 -4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.206 12.141 -4.379 1.00 0.00 H new ATOM 832 N TYR A 58 3.668 7.774 -6.719 1.00 0.00 N ATOM 833 CA TYR A 58 3.647 6.354 -7.046 1.00 0.00 C ATOM 834 C TYR A 58 4.791 5.618 -6.355 1.00 0.00 C ATOM 835 O TYR A 58 5.964 5.914 -6.586 1.00 0.00 O ATOM 836 CB TYR A 58 3.739 6.156 -8.560 1.00 0.00 C ATOM 837 CG TYR A 58 3.811 4.704 -8.978 1.00 0.00 C ATOM 838 CD1 TYR A 58 2.942 3.762 -8.440 1.00 0.00 C ATOM 839 CD2 TYR A 58 4.747 4.275 -9.910 1.00 0.00 C ATOM 840 CE1 TYR A 58 3.005 2.435 -8.819 1.00 0.00 C ATOM 841 CE2 TYR A 58 4.816 2.950 -10.296 1.00 0.00 C ATOM 842 CZ TYR A 58 3.943 2.034 -9.747 1.00 0.00 C ATOM 843 OH TYR A 58 4.008 0.713 -10.127 1.00 0.00 O ATOM 0 H TYR A 58 4.415 8.300 -7.172 1.00 0.00 H new ATOM 0 HA TYR A 58 2.704 5.939 -6.689 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.872 6.619 -9.032 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.621 6.677 -8.933 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.205 4.073 -7.714 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.433 4.989 -10.341 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.323 1.715 -8.391 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.549 2.634 -11.023 1.00 0.00 H new ATOM 0 HH TYR A 58 4.722 0.598 -10.788 1.00 0.00 H new ATOM 853 N PHE A 59 4.441 4.658 -5.506 1.00 0.00 N ATOM 854 CA PHE A 59 5.438 3.879 -4.780 1.00 0.00 C ATOM 855 C PHE A 59 4.929 2.467 -4.504 1.00 0.00 C ATOM 856 O PHE A 59 3.818 2.281 -4.005 1.00 0.00 O ATOM 857 CB PHE A 59 5.796 4.571 -3.463 1.00 0.00 C ATOM 858 CG PHE A 59 4.648 4.658 -2.500 1.00 0.00 C ATOM 859 CD1 PHE A 59 3.619 5.562 -2.708 1.00 0.00 C ATOM 860 CD2 PHE A 59 4.597 3.835 -1.386 1.00 0.00 C ATOM 861 CE1 PHE A 59 2.561 5.645 -1.822 1.00 0.00 C ATOM 862 CE2 PHE A 59 3.541 3.913 -0.497 1.00 0.00 C ATOM 863 CZ PHE A 59 2.521 4.819 -0.716 1.00 0.00 C ATOM 0 H PHE A 59 3.475 4.400 -5.304 1.00 0.00 H new ATOM 0 HA PHE A 59 6.331 3.809 -5.401 1.00 0.00 H new ATOM 0 HB2 PHE A 59 6.616 4.032 -2.990 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.157 5.577 -3.677 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.644 6.209 -3.572 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.391 3.125 -1.210 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.766 6.355 -1.995 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.513 3.266 0.368 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.694 4.881 -0.024 1.00 0.00 H new ATOM 873 N THR A 60 5.749 1.474 -4.832 1.00 0.00 N ATOM 874 CA THR A 60 5.383 0.079 -4.622 1.00 0.00 C ATOM 875 C THR A 60 5.982 -0.457 -3.326 1.00 0.00 C ATOM 876 O THR A 60 7.062 -0.037 -2.910 1.00 0.00 O ATOM 877 CB THR A 60 5.847 -0.807 -5.793 1.00 0.00 C ATOM 878 OG1 THR A 60 5.230 -0.372 -7.010 1.00 0.00 O ATOM 879 CG2 THR A 60 5.504 -2.266 -5.538 1.00 0.00 C ATOM 0 H THR A 60 6.672 1.610 -5.245 1.00 0.00 H new ATOM 0 HA THR A 60 4.295 0.044 -4.559 1.00 0.00 H new ATOM 0 HB THR A 60 6.930 -0.716 -5.882 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.531 -0.939 -7.750 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.842 -2.872 -6.379 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.999 -2.602 -4.627 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.425 -2.372 -5.425 1.00 0.00 H new ATOM 887 N ILE A 61 5.275 -1.388 -2.694 1.00 0.00 N ATOM 888 CA ILE A 61 5.739 -1.982 -1.446 1.00 0.00 C ATOM 889 C ILE A 61 5.847 -3.498 -1.567 1.00 0.00 C ATOM 890 O ILE A 61 4.861 -4.182 -1.838 1.00 0.00 O ATOM 891 CB ILE A 61 4.799 -1.638 -0.275 1.00 0.00 C ATOM 892 CG1 ILE A 61 4.835 -0.135 0.011 1.00 0.00 C ATOM 893 CG2 ILE A 61 5.188 -2.428 0.965 1.00 0.00 C ATOM 894 CD1 ILE A 61 3.935 0.284 1.151 1.00 0.00 C ATOM 0 H ILE A 61 4.380 -1.747 -3.025 1.00 0.00 H new ATOM 0 HA ILE A 61 6.725 -1.564 -1.245 1.00 0.00 H new ATOM 0 HB ILE A 61 3.781 -1.912 -0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.859 0.159 0.241 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.543 0.405 -0.889 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.515 -2.174 1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.117 -3.495 0.754 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.212 -2.182 1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.011 1.361 1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.904 0.022 0.916 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.241 -0.229 2.063 1.00 0.00 H new ATOM 906 N ASN A 62 7.053 -4.018 -1.362 1.00 0.00 N ATOM 907 CA ASN A 62 7.291 -5.454 -1.446 1.00 0.00 C ATOM 908 C ASN A 62 7.149 -6.111 -0.076 1.00 0.00 C ATOM 909 O ASN A 62 7.977 -5.905 0.811 1.00 0.00 O ATOM 910 CB ASN A 62 8.686 -5.729 -2.014 1.00 0.00 C ATOM 911 CG ASN A 62 8.832 -5.248 -3.444 1.00 0.00 C ATOM 912 OD1 ASN A 62 8.229 -5.804 -4.362 1.00 0.00 O ATOM 913 ND2 ASN A 62 9.637 -4.210 -3.640 1.00 0.00 N ATOM 0 H ASN A 62 7.881 -3.466 -1.137 1.00 0.00 H new ATOM 0 HA ASN A 62 6.543 -5.882 -2.113 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.433 -5.238 -1.390 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.889 -6.799 -1.971 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.775 -3.843 -4.581 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.117 -3.780 -2.849 1.00 0.00 H new ATOM 920 N MET A 63 6.094 -6.902 0.088 1.00 0.00 N ATOM 921 CA MET A 63 5.845 -7.590 1.349 1.00 0.00 C ATOM 922 C MET A 63 5.887 -9.104 1.160 1.00 0.00 C ATOM 923 O MET A 63 5.055 -9.674 0.457 1.00 0.00 O ATOM 924 CB MET A 63 4.489 -7.174 1.923 1.00 0.00 C ATOM 925 CG MET A 63 4.432 -5.717 2.352 1.00 0.00 C ATOM 926 SD MET A 63 2.763 -5.038 2.286 1.00 0.00 S ATOM 927 CE MET A 63 1.873 -6.230 3.284 1.00 0.00 C ATOM 0 H MET A 63 5.398 -7.082 -0.636 1.00 0.00 H new ATOM 0 HA MET A 63 6.630 -7.307 2.050 1.00 0.00 H new ATOM 0 HB2 MET A 63 3.716 -7.355 1.176 1.00 0.00 H new ATOM 0 HB3 MET A 63 4.257 -7.806 2.780 1.00 0.00 H new ATOM 0 HG2 MET A 63 4.817 -5.626 3.368 1.00 0.00 H new ATOM 0 HG3 MET A 63 5.086 -5.127 1.709 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.815 -6.207 3.022 1.00 0.00 H new ATOM 0 HE2 MET A 63 2.271 -7.228 3.100 1.00 0.00 H new ATOM 0 HE3 MET A 63 1.991 -5.982 4.339 1.00 0.00 H new ATOM 937 N ASN A 64 6.863 -9.747 1.793 1.00 0.00 N ATOM 938 CA ASN A 64 7.013 -11.195 1.694 1.00 0.00 C ATOM 939 C ASN A 64 6.160 -11.904 2.741 1.00 0.00 C ATOM 940 O ASN A 64 6.391 -11.767 3.943 1.00 0.00 O ATOM 941 CB ASN A 64 8.482 -11.588 1.865 1.00 0.00 C ATOM 942 CG ASN A 64 9.104 -10.976 3.106 1.00 0.00 C ATOM 943 OD1 ASN A 64 8.423 -10.323 3.897 1.00 0.00 O ATOM 944 ND2 ASN A 64 10.403 -11.185 3.281 1.00 0.00 N ATOM 0 H ASN A 64 7.561 -9.289 2.379 1.00 0.00 H new ATOM 0 HA ASN A 64 6.673 -11.504 0.706 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.561 -12.674 1.920 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.044 -11.272 0.986 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.876 -10.798 4.097 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.928 -11.733 2.599 1.00 0.00 H new ATOM 951 N LEU A 65 5.172 -12.661 2.276 1.00 0.00 N ATOM 952 CA LEU A 65 4.284 -13.394 3.172 1.00 0.00 C ATOM 953 C LEU A 65 3.958 -14.773 2.608 1.00 0.00 C ATOM 954 O LEU A 65 4.139 -15.027 1.417 1.00 0.00 O ATOM 955 CB LEU A 65 2.992 -12.605 3.398 1.00 0.00 C ATOM 956 CG LEU A 65 3.119 -11.082 3.349 1.00 0.00 C ATOM 957 CD1 LEU A 65 1.826 -10.455 2.850 1.00 0.00 C ATOM 958 CD2 LEU A 65 3.486 -10.533 4.720 1.00 0.00 C ATOM 0 H LEU A 65 4.966 -12.783 1.285 1.00 0.00 H new ATOM 0 HA LEU A 65 4.796 -13.524 4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.265 -12.913 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.584 -12.885 4.369 1.00 0.00 H new ATOM 0 HG LEU A 65 3.916 -10.825 2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.935 -9.371 2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.606 -10.824 1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.010 -10.720 3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.572 -9.448 4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.711 -10.800 5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.438 -10.957 5.039 1.00 0.00 H new ATOM 970 N ASP A 66 3.476 -15.660 3.472 1.00 0.00 N ATOM 971 CA ASP A 66 3.122 -17.014 3.060 1.00 0.00 C ATOM 972 C ASP A 66 1.730 -17.046 2.437 1.00 0.00 C ATOM 973 O ASP A 66 0.839 -16.301 2.845 1.00 0.00 O ATOM 974 CB ASP A 66 3.182 -17.966 4.255 1.00 0.00 C ATOM 975 CG ASP A 66 4.598 -18.396 4.583 1.00 0.00 C ATOM 976 OD1 ASP A 66 5.295 -17.646 5.298 1.00 0.00 O ATOM 977 OD2 ASP A 66 5.010 -19.482 4.124 1.00 0.00 O ATOM 0 H ASP A 66 3.321 -15.466 4.461 1.00 0.00 H new ATOM 0 HA ASP A 66 3.843 -17.339 2.310 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.742 -17.479 5.126 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.577 -18.848 4.044 1.00 0.00 H new ATOM 982 N VAL A 67 1.550 -17.913 1.446 1.00 0.00 N ATOM 983 CA VAL A 67 0.267 -18.042 0.766 1.00 0.00 C ATOM 984 C VAL A 67 -0.208 -19.491 0.759 1.00 0.00 C ATOM 985 O VAL A 67 -1.360 -19.779 1.083 1.00 0.00 O ATOM 986 CB VAL A 67 0.346 -17.532 -0.685 1.00 0.00 C ATOM 987 CG1 VAL A 67 0.338 -16.011 -0.717 1.00 0.00 C ATOM 988 CG2 VAL A 67 1.584 -18.082 -1.376 1.00 0.00 C ATOM 0 H VAL A 67 2.277 -18.537 1.096 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.447 -17.431 1.319 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.531 -17.887 -1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.394 -15.669 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.581 -15.642 -0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.195 -15.631 -0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.624 -17.711 -2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.475 -17.758 -0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.542 -19.171 -1.386 1.00 0.00 H new ATOM 998 N SER A 68 0.689 -20.399 0.387 1.00 0.00 N ATOM 999 CA SER A 68 0.361 -21.819 0.334 1.00 0.00 C ATOM 1000 C SER A 68 1.626 -22.664 0.219 1.00 0.00 C ATOM 1001 O SER A 68 2.736 -22.136 0.168 1.00 0.00 O ATOM 1002 CB SER A 68 -0.568 -22.106 -0.847 1.00 0.00 C ATOM 1003 OG SER A 68 -1.388 -23.232 -0.589 1.00 0.00 O ATOM 0 H SER A 68 1.648 -20.177 0.118 1.00 0.00 H new ATOM 0 HA SER A 68 -0.149 -22.084 1.260 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.193 -21.234 -1.042 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.024 -22.282 -1.745 1.00 0.00 H new ATOM 0 HG SER A 68 -1.974 -23.393 -1.358 1.00 0.00 H new ATOM 1009 N ASP A 69 1.448 -23.980 0.179 1.00 0.00 N ATOM 1010 CA ASP A 69 2.574 -24.901 0.069 1.00 0.00 C ATOM 1011 C ASP A 69 3.692 -24.509 1.030 1.00 0.00 C ATOM 1012 O ASP A 69 4.868 -24.526 0.667 1.00 0.00 O ATOM 1013 CB ASP A 69 3.102 -24.924 -1.366 1.00 0.00 C ATOM 1014 CG ASP A 69 2.145 -25.604 -2.325 1.00 0.00 C ATOM 1015 OD1 ASP A 69 2.084 -26.851 -2.318 1.00 0.00 O ATOM 1016 OD2 ASP A 69 1.455 -24.888 -3.081 1.00 0.00 O ATOM 0 H ASP A 69 0.535 -24.433 0.221 1.00 0.00 H new ATOM 0 HA ASP A 69 2.224 -25.898 0.335 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.282 -23.902 -1.700 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.062 -25.440 -1.388 1.00 0.00 H new ATOM 1021 N GLU A 70 3.316 -24.155 2.255 1.00 0.00 N ATOM 1022 CA GLU A 70 4.288 -23.757 3.266 1.00 0.00 C ATOM 1023 C GLU A 70 5.427 -22.956 2.641 1.00 0.00 C ATOM 1024 O GLU A 70 6.582 -23.072 3.052 1.00 0.00 O ATOM 1025 CB GLU A 70 4.849 -24.989 3.980 1.00 0.00 C ATOM 1026 CG GLU A 70 5.305 -24.714 5.403 1.00 0.00 C ATOM 1027 CD GLU A 70 5.895 -25.939 6.074 1.00 0.00 C ATOM 1028 OE1 GLU A 70 6.897 -26.474 5.555 1.00 0.00 O ATOM 1029 OE2 GLU A 70 5.354 -26.363 7.117 1.00 0.00 O ATOM 0 H GLU A 70 2.346 -24.136 2.571 1.00 0.00 H new ATOM 0 HA GLU A 70 3.778 -23.125 3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.086 -25.768 3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.690 -25.379 3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.047 -23.916 5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.459 -24.356 5.989 1.00 0.00 H new ATOM 1036 N LYS A 71 5.093 -22.144 1.644 1.00 0.00 N ATOM 1037 CA LYS A 71 6.085 -21.322 0.961 1.00 0.00 C ATOM 1038 C LYS A 71 5.783 -19.838 1.146 1.00 0.00 C ATOM 1039 O LYS A 71 4.721 -19.469 1.647 1.00 0.00 O ATOM 1040 CB LYS A 71 6.122 -21.664 -0.530 1.00 0.00 C ATOM 1041 CG LYS A 71 7.051 -22.817 -0.867 1.00 0.00 C ATOM 1042 CD LYS A 71 6.839 -23.307 -2.289 1.00 0.00 C ATOM 1043 CE LYS A 71 7.142 -22.217 -3.306 1.00 0.00 C ATOM 1044 NZ LYS A 71 7.192 -22.752 -4.695 1.00 0.00 N ATOM 0 H LYS A 71 4.142 -22.037 1.291 1.00 0.00 H new ATOM 0 HA LYS A 71 7.060 -21.534 1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.114 -21.912 -0.862 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.434 -20.782 -1.089 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.086 -22.500 -0.741 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.882 -23.637 -0.170 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.479 -24.169 -2.477 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.809 -23.642 -2.410 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.380 -21.440 -3.243 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.096 -21.748 -3.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.401 -21.978 -5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.936 -23.475 -4.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.274 -23.176 -4.937 1.00 0.00 H new ATOM 1058 N MET A 72 6.723 -18.992 0.737 1.00 0.00 N ATOM 1059 CA MET A 72 6.555 -17.548 0.855 1.00 0.00 C ATOM 1060 C MET A 72 6.645 -16.877 -0.512 1.00 0.00 C ATOM 1061 O MET A 72 7.210 -17.435 -1.452 1.00 0.00 O ATOM 1062 CB MET A 72 7.613 -16.966 1.794 1.00 0.00 C ATOM 1063 CG MET A 72 7.152 -16.860 3.238 1.00 0.00 C ATOM 1064 SD MET A 72 8.323 -15.966 4.278 1.00 0.00 S ATOM 1065 CE MET A 72 7.644 -14.310 4.207 1.00 0.00 C ATOM 0 H MET A 72 7.608 -19.281 0.321 1.00 0.00 H new ATOM 0 HA MET A 72 5.566 -17.354 1.270 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.507 -17.589 1.751 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.897 -15.976 1.438 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.186 -16.357 3.271 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.004 -17.861 3.642 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.446 -13.595 4.024 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.914 -14.250 3.400 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.158 -14.075 5.154 1.00 0.00 H new ATOM 1075 N ALA A 73 6.085 -15.676 -0.614 1.00 0.00 N ATOM 1076 CA ALA A 73 6.105 -14.928 -1.865 1.00 0.00 C ATOM 1077 C ALA A 73 5.995 -13.429 -1.610 1.00 0.00 C ATOM 1078 O ALA A 73 5.535 -13.002 -0.551 1.00 0.00 O ATOM 1079 CB ALA A 73 4.979 -15.395 -2.776 1.00 0.00 C ATOM 0 H ALA A 73 5.612 -15.200 0.154 1.00 0.00 H new ATOM 0 HA ALA A 73 7.059 -15.117 -2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.005 -14.828 -3.707 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.103 -16.456 -2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.021 -15.236 -2.281 1.00 0.00 H new ATOM 1085 N MET A 74 6.420 -12.634 -2.587 1.00 0.00 N ATOM 1086 CA MET A 74 6.369 -11.182 -2.467 1.00 0.00 C ATOM 1087 C MET A 74 5.120 -10.625 -3.144 1.00 0.00 C ATOM 1088 O MET A 74 4.607 -11.208 -4.099 1.00 0.00 O ATOM 1089 CB MET A 74 7.620 -10.553 -3.083 1.00 0.00 C ATOM 1090 CG MET A 74 7.966 -9.192 -2.501 1.00 0.00 C ATOM 1091 SD MET A 74 8.228 -9.246 -0.718 1.00 0.00 S ATOM 1092 CE MET A 74 9.916 -8.659 -0.605 1.00 0.00 C ATOM 0 H MET A 74 6.803 -12.971 -3.470 1.00 0.00 H new ATOM 0 HA MET A 74 6.330 -10.931 -1.407 1.00 0.00 H new ATOM 0 HB2 MET A 74 8.465 -11.227 -2.937 1.00 0.00 H new ATOM 0 HB3 MET A 74 7.474 -10.453 -4.159 1.00 0.00 H new ATOM 0 HG2 MET A 74 8.866 -8.812 -2.985 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.163 -8.490 -2.725 1.00 0.00 H new ATOM 0 HE1 MET A 74 10.489 -9.322 0.043 1.00 0.00 H new ATOM 0 HE2 MET A 74 10.364 -8.646 -1.599 1.00 0.00 H new ATOM 0 HE3 MET A 74 9.924 -7.651 -0.190 1.00 0.00 H new ATOM 1102 N PHE A 75 4.636 -9.493 -2.643 1.00 0.00 N ATOM 1103 CA PHE A 75 3.447 -8.858 -3.199 1.00 0.00 C ATOM 1104 C PHE A 75 3.721 -7.397 -3.544 1.00 0.00 C ATOM 1105 O PHE A 75 4.271 -6.650 -2.735 1.00 0.00 O ATOM 1106 CB PHE A 75 2.284 -8.950 -2.209 1.00 0.00 C ATOM 1107 CG PHE A 75 1.549 -10.259 -2.267 1.00 0.00 C ATOM 1108 CD1 PHE A 75 2.175 -11.437 -1.893 1.00 0.00 C ATOM 1109 CD2 PHE A 75 0.233 -10.312 -2.696 1.00 0.00 C ATOM 1110 CE1 PHE A 75 1.502 -12.644 -1.945 1.00 0.00 C ATOM 1111 CE2 PHE A 75 -0.445 -11.515 -2.750 1.00 0.00 C ATOM 1112 CZ PHE A 75 0.190 -12.682 -2.375 1.00 0.00 C ATOM 0 H PHE A 75 5.049 -8.997 -1.853 1.00 0.00 H new ATOM 0 HA PHE A 75 3.179 -9.385 -4.115 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.665 -8.801 -1.199 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.583 -8.140 -2.408 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.201 -11.412 -1.557 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.269 -9.403 -2.992 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.001 -13.555 -1.650 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.471 -11.542 -3.085 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.338 -13.623 -2.418 1.00 0.00 H new ATOM 1122 N SER A 76 3.334 -6.998 -4.751 1.00 0.00 N ATOM 1123 CA SER A 76 3.542 -5.628 -5.206 1.00 0.00 C ATOM 1124 C SER A 76 2.289 -4.787 -4.986 1.00 0.00 C ATOM 1125 O SER A 76 1.261 -5.002 -5.629 1.00 0.00 O ATOM 1126 CB SER A 76 3.926 -5.613 -6.687 1.00 0.00 C ATOM 1127 OG SER A 76 3.509 -4.410 -7.310 1.00 0.00 O ATOM 0 H SER A 76 2.875 -7.603 -5.431 1.00 0.00 H new ATOM 0 HA SER A 76 4.355 -5.197 -4.622 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.006 -5.723 -6.787 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.471 -6.465 -7.193 1.00 0.00 H new ATOM 0 HG SER A 76 3.767 -4.424 -8.255 1.00 0.00 H new ATOM 1133 N LEU A 77 2.382 -3.827 -4.072 1.00 0.00 N ATOM 1134 CA LEU A 77 1.257 -2.951 -3.765 1.00 0.00 C ATOM 1135 C LEU A 77 1.482 -1.555 -4.335 1.00 0.00 C ATOM 1136 O LEU A 77 2.090 -0.701 -3.690 1.00 0.00 O ATOM 1137 CB LEU A 77 1.047 -2.869 -2.251 1.00 0.00 C ATOM 1138 CG LEU A 77 0.101 -3.907 -1.648 1.00 0.00 C ATOM 1139 CD1 LEU A 77 0.820 -5.232 -1.447 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -0.472 -3.404 -0.331 1.00 0.00 C ATOM 0 H LEU A 77 3.225 -3.636 -3.531 1.00 0.00 H new ATOM 0 HA LEU A 77 0.364 -3.372 -4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.017 -2.965 -1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.666 -1.876 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.723 -4.067 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.131 -5.958 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.181 -5.599 -2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.664 -5.089 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.143 -4.156 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.340 -3.215 0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.024 -2.480 -0.504 1.00 0.00 H new ATOM 1152 N ALA A 78 0.987 -1.329 -5.547 1.00 0.00 N ATOM 1153 CA ALA A 78 1.130 -0.035 -6.202 1.00 0.00 C ATOM 1154 C ALA A 78 0.175 0.992 -5.604 1.00 0.00 C ATOM 1155 O ALA A 78 -0.991 1.070 -5.992 1.00 0.00 O ATOM 1156 CB ALA A 78 0.891 -0.171 -7.699 1.00 0.00 C ATOM 0 H ALA A 78 0.483 -2.026 -6.096 1.00 0.00 H new ATOM 0 HA ALA A 78 2.149 0.316 -6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.001 0.803 -8.175 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.617 -0.866 -8.122 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.117 -0.548 -7.874 1.00 0.00 H new ATOM 1162 N CYS A 79 0.676 1.778 -4.657 1.00 0.00 N ATOM 1163 CA CYS A 79 -0.134 2.800 -4.003 1.00 0.00 C ATOM 1164 C CYS A 79 0.100 4.167 -4.638 1.00 0.00 C ATOM 1165 O CYS A 79 1.204 4.710 -4.576 1.00 0.00 O ATOM 1166 CB CYS A 79 0.187 2.856 -2.509 1.00 0.00 C ATOM 1167 SG CYS A 79 -0.687 4.162 -1.615 1.00 0.00 S ATOM 0 H CYS A 79 1.639 1.727 -4.325 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.183 2.535 -4.131 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -0.060 1.894 -2.059 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.260 3.000 -2.384 1.00 0.00 H new ATOM 0 HG CYS A 79 0.171 4.896 -0.971 1.00 0.00 H new ATOM 1173 N ILE A 80 -0.944 4.717 -5.248 1.00 0.00 N ATOM 1174 CA ILE A 80 -0.852 6.020 -5.894 1.00 0.00 C ATOM 1175 C ILE A 80 -1.706 7.055 -5.170 1.00 0.00 C ATOM 1176 O ILE A 80 -2.904 6.853 -4.966 1.00 0.00 O ATOM 1177 CB ILE A 80 -1.290 5.949 -7.369 1.00 0.00 C ATOM 1178 CG1 ILE A 80 -0.382 4.997 -8.149 1.00 0.00 C ATOM 1179 CG2 ILE A 80 -1.273 7.337 -7.994 1.00 0.00 C ATOM 1180 CD1 ILE A 80 -0.823 4.776 -9.579 1.00 0.00 C ATOM 0 H ILE A 80 -1.864 4.280 -5.308 1.00 0.00 H new ATOM 0 HA ILE A 80 0.195 6.321 -5.848 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.309 5.565 -7.411 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.633 5.394 -8.148 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.349 4.036 -7.635 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.585 7.271 -9.036 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.958 7.989 -7.451 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.264 7.747 -7.943 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.133 4.091 -10.071 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.826 4.350 -9.589 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.828 5.728 -10.109 1.00 0.00 H new ATOM 1192 N LEU A 81 -1.084 8.163 -4.786 1.00 0.00 N ATOM 1193 CA LEU A 81 -1.788 9.232 -4.086 1.00 0.00 C ATOM 1194 C LEU A 81 -2.269 10.299 -5.064 1.00 0.00 C ATOM 1195 O LEU A 81 -1.481 10.943 -5.756 1.00 0.00 O ATOM 1196 CB LEU A 81 -0.877 9.864 -3.032 1.00 0.00 C ATOM 1197 CG LEU A 81 -0.164 8.892 -2.091 1.00 0.00 C ATOM 1198 CD1 LEU A 81 0.796 9.640 -1.179 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -1.176 8.104 -1.272 1.00 0.00 C ATOM 0 H LEU A 81 -0.093 8.345 -4.947 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.658 8.799 -3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.123 10.462 -3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.473 10.550 -2.430 1.00 0.00 H new ATOM 0 HG LEU A 81 0.412 8.189 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.294 8.932 -0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.541 10.159 -1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.242 10.366 -0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.651 7.417 -0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.779 8.792 -0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.824 7.538 -1.941 1.00 0.00 H new ATOM 1211 N PRO A 82 -3.595 10.493 -5.122 1.00 0.00 N ATOM 1212 CA PRO A 82 -4.212 11.484 -6.010 1.00 0.00 C ATOM 1213 C PRO A 82 -3.922 12.915 -5.571 1.00 0.00 C ATOM 1214 O PRO A 82 -3.104 13.149 -4.681 1.00 0.00 O ATOM 1215 CB PRO A 82 -5.708 11.181 -5.894 1.00 0.00 C ATOM 1216 CG PRO A 82 -5.862 10.536 -4.560 1.00 0.00 C ATOM 1217 CD PRO A 82 -4.594 9.762 -4.326 1.00 0.00 C ATOM 0 HA PRO A 82 -3.827 11.416 -7.028 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.303 12.092 -5.964 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.041 10.520 -6.694 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.013 11.283 -3.780 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.730 9.877 -4.543 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.327 9.739 -3.270 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.689 8.727 -4.654 1.00 0.00 H new ATOM 1225 N PHE A 83 -4.599 13.870 -6.201 1.00 0.00 N ATOM 1226 CA PHE A 83 -4.414 15.280 -5.875 1.00 0.00 C ATOM 1227 C PHE A 83 -5.519 15.773 -4.947 1.00 0.00 C ATOM 1228 O PHE A 83 -5.828 16.964 -4.908 1.00 0.00 O ATOM 1229 CB PHE A 83 -4.391 16.121 -7.153 1.00 0.00 C ATOM 1230 CG PHE A 83 -3.490 15.568 -8.219 1.00 0.00 C ATOM 1231 CD1 PHE A 83 -2.149 15.333 -7.958 1.00 0.00 C ATOM 1232 CD2 PHE A 83 -3.982 15.284 -9.482 1.00 0.00 C ATOM 1233 CE1 PHE A 83 -1.317 14.825 -8.938 1.00 0.00 C ATOM 1234 CE2 PHE A 83 -3.155 14.776 -10.466 1.00 0.00 C ATOM 1235 CZ PHE A 83 -1.821 14.545 -10.193 1.00 0.00 C ATOM 0 H PHE A 83 -5.280 13.693 -6.939 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.459 15.387 -5.361 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.404 16.195 -7.548 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.070 17.133 -6.906 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.750 15.549 -6.978 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.025 15.462 -9.701 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.274 14.647 -8.722 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -3.551 14.560 -11.447 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.173 14.146 -10.960 1.00 0.00 H new ATOM 1245 N LYS A 84 -6.113 14.848 -4.200 1.00 0.00 N ATOM 1246 CA LYS A 84 -7.185 15.187 -3.271 1.00 0.00 C ATOM 1247 C LYS A 84 -6.847 14.719 -1.858 1.00 0.00 C ATOM 1248 O LYS A 84 -7.137 15.409 -0.880 1.00 0.00 O ATOM 1249 CB LYS A 84 -8.502 14.556 -3.727 1.00 0.00 C ATOM 1250 CG LYS A 84 -8.602 14.377 -5.232 1.00 0.00 C ATOM 1251 CD LYS A 84 -10.025 14.581 -5.725 1.00 0.00 C ATOM 1252 CE LYS A 84 -10.110 14.479 -7.240 1.00 0.00 C ATOM 1253 NZ LYS A 84 -10.014 13.068 -7.707 1.00 0.00 N ATOM 0 H LYS A 84 -5.870 13.858 -4.220 1.00 0.00 H new ATOM 0 HA LYS A 84 -7.294 16.271 -3.260 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -8.616 13.585 -3.246 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.330 15.178 -3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.939 15.086 -5.728 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -8.262 13.378 -5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.679 13.836 -5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.386 15.558 -5.404 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.051 14.911 -7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.309 15.066 -7.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.076 13.041 -8.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.105 12.663 -7.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.794 12.513 -7.299 1.00 0.00 H new ATOM 1267 N TYR A 85 -6.233 13.546 -1.759 1.00 0.00 N ATOM 1268 CA TYR A 85 -5.857 12.987 -0.466 1.00 0.00 C ATOM 1269 C TYR A 85 -5.467 14.090 0.512 1.00 0.00 C ATOM 1270 O TYR A 85 -4.819 15.073 0.153 1.00 0.00 O ATOM 1271 CB TYR A 85 -4.698 12.002 -0.631 1.00 0.00 C ATOM 1272 CG TYR A 85 -4.695 10.894 0.398 1.00 0.00 C ATOM 1273 CD1 TYR A 85 -5.800 10.067 0.560 1.00 0.00 C ATOM 1274 CD2 TYR A 85 -3.588 10.673 1.207 1.00 0.00 C ATOM 1275 CE1 TYR A 85 -5.802 9.053 1.498 1.00 0.00 C ATOM 1276 CE2 TYR A 85 -3.581 9.660 2.147 1.00 0.00 C ATOM 1277 CZ TYR A 85 -4.690 8.854 2.289 1.00 0.00 C ATOM 1278 OH TYR A 85 -4.687 7.845 3.225 1.00 0.00 O ATOM 0 H TYR A 85 -5.985 12.963 -2.559 1.00 0.00 H new ATOM 0 HA TYR A 85 -6.720 12.458 -0.062 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.745 11.562 -1.627 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -3.756 12.548 -0.568 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.672 10.220 -0.058 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.718 11.304 1.100 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -6.669 8.420 1.611 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -2.711 9.501 2.767 1.00 0.00 H new ATOM 0 HH TYR A 85 -3.769 7.681 3.526 1.00 0.00 H new ATOM 1288 N PRO A 86 -5.871 13.925 1.780 1.00 0.00 N ATOM 1289 CA PRO A 86 -6.644 12.759 2.219 1.00 0.00 C ATOM 1290 C PRO A 86 -8.064 12.763 1.664 1.00 0.00 C ATOM 1291 O PRO A 86 -8.787 11.773 1.777 1.00 0.00 O ATOM 1292 CB PRO A 86 -6.665 12.901 3.743 1.00 0.00 C ATOM 1293 CG PRO A 86 -6.489 14.360 3.990 1.00 0.00 C ATOM 1294 CD PRO A 86 -5.605 14.864 2.883 1.00 0.00 C ATOM 0 HA PRO A 86 -6.205 11.824 1.870 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.604 12.539 4.161 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.866 12.322 4.206 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -7.450 14.875 3.987 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -6.034 14.539 4.964 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -5.852 15.889 2.607 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.554 14.856 3.173 1.00 0.00 H new ATOM 1302 N ALA A 87 -8.457 13.882 1.065 1.00 0.00 N ATOM 1303 CA ALA A 87 -9.790 14.013 0.490 1.00 0.00 C ATOM 1304 C ALA A 87 -10.308 12.667 -0.007 1.00 0.00 C ATOM 1305 O ALA A 87 -11.204 12.075 0.595 1.00 0.00 O ATOM 1306 CB ALA A 87 -9.779 15.028 -0.643 1.00 0.00 C ATOM 0 H ALA A 87 -7.871 14.711 0.965 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.463 14.366 1.272 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.781 15.115 -1.063 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.460 15.997 -0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.088 14.699 -1.419 1.00 0.00 H new ATOM 1312 N VAL A 88 -9.740 12.191 -1.110 1.00 0.00 N ATOM 1313 CA VAL A 88 -10.144 10.914 -1.688 1.00 0.00 C ATOM 1314 C VAL A 88 -9.062 9.857 -1.497 1.00 0.00 C ATOM 1315 O VAL A 88 -7.900 10.073 -1.845 1.00 0.00 O ATOM 1316 CB VAL A 88 -10.454 11.052 -3.190 1.00 0.00 C ATOM 1317 CG1 VAL A 88 -11.280 12.301 -3.453 1.00 0.00 C ATOM 1318 CG2 VAL A 88 -9.166 11.074 -3.999 1.00 0.00 C ATOM 0 H VAL A 88 -8.999 12.670 -1.622 1.00 0.00 H new ATOM 0 HA VAL A 88 -11.048 10.601 -1.165 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.039 10.187 -3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.489 12.381 -4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.219 12.239 -2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.725 13.180 -3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.403 11.172 -5.058 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.553 11.919 -3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.617 10.147 -3.834 1.00 0.00 H new ATOM 1328 N LEU A 89 -9.451 8.714 -0.944 1.00 0.00 N ATOM 1329 CA LEU A 89 -8.514 7.621 -0.707 1.00 0.00 C ATOM 1330 C LEU A 89 -7.646 7.372 -1.937 1.00 0.00 C ATOM 1331 O LEU A 89 -8.002 7.728 -3.061 1.00 0.00 O ATOM 1332 CB LEU A 89 -9.272 6.345 -0.337 1.00 0.00 C ATOM 1333 CG LEU A 89 -9.739 6.240 1.116 1.00 0.00 C ATOM 1334 CD1 LEU A 89 -10.736 5.103 1.274 1.00 0.00 C ATOM 1335 CD2 LEU A 89 -8.550 6.042 2.045 1.00 0.00 C ATOM 0 H LEU A 89 -10.409 8.520 -0.651 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.865 7.904 0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.145 6.264 -0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.632 5.490 -0.555 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.235 7.172 1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.058 5.043 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.601 5.286 0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.265 4.163 0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.901 5.969 3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.026 5.125 1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.871 6.889 1.952 1.00 0.00 H new ATOM 1347 N PRO A 90 -6.481 6.744 -1.722 1.00 0.00 N ATOM 1348 CA PRO A 90 -5.539 6.431 -2.800 1.00 0.00 C ATOM 1349 C PRO A 90 -6.065 5.343 -3.731 1.00 0.00 C ATOM 1350 O PRO A 90 -7.215 4.919 -3.617 1.00 0.00 O ATOM 1351 CB PRO A 90 -4.295 5.941 -2.055 1.00 0.00 C ATOM 1352 CG PRO A 90 -4.811 5.429 -0.754 1.00 0.00 C ATOM 1353 CD PRO A 90 -5.992 6.292 -0.408 1.00 0.00 C ATOM 0 HA PRO A 90 -5.355 7.292 -3.443 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.782 5.158 -2.613 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.578 6.749 -1.907 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.103 4.382 -0.835 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -4.045 5.487 0.020 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.754 5.732 0.133 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.704 7.132 0.224 1.00 0.00 H new ATOM 1361 N GLU A 91 -5.216 4.896 -4.651 1.00 0.00 N ATOM 1362 CA GLU A 91 -5.597 3.858 -5.601 1.00 0.00 C ATOM 1363 C GLU A 91 -4.613 2.692 -5.557 1.00 0.00 C ATOM 1364 O GLU A 91 -3.938 2.399 -6.544 1.00 0.00 O ATOM 1365 CB GLU A 91 -5.663 4.431 -7.018 1.00 0.00 C ATOM 1366 CG GLU A 91 -6.937 5.208 -7.302 1.00 0.00 C ATOM 1367 CD GLU A 91 -8.182 4.474 -6.842 1.00 0.00 C ATOM 1368 OE1 GLU A 91 -8.468 3.389 -7.389 1.00 0.00 O ATOM 1369 OE2 GLU A 91 -8.871 4.987 -5.935 1.00 0.00 O ATOM 0 H GLU A 91 -4.260 5.236 -4.758 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.583 3.489 -5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.806 5.085 -7.176 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.578 3.615 -7.735 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.886 6.177 -6.805 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.009 5.403 -8.372 1.00 0.00 H new ATOM 1376 N ILE A 92 -4.538 2.033 -4.406 1.00 0.00 N ATOM 1377 CA ILE A 92 -3.637 0.900 -4.233 1.00 0.00 C ATOM 1378 C ILE A 92 -4.089 -0.294 -5.068 1.00 0.00 C ATOM 1379 O ILE A 92 -5.271 -0.636 -5.096 1.00 0.00 O ATOM 1380 CB ILE A 92 -3.546 0.473 -2.756 1.00 0.00 C ATOM 1381 CG1 ILE A 92 -3.135 1.661 -1.884 1.00 0.00 C ATOM 1382 CG2 ILE A 92 -2.560 -0.675 -2.596 1.00 0.00 C ATOM 1383 CD1 ILE A 92 -3.436 1.464 -0.414 1.00 0.00 C ATOM 0 H ILE A 92 -5.090 2.264 -3.580 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.653 1.225 -4.570 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.528 0.130 -2.431 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.067 1.839 -2.007 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.650 2.555 -2.236 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.507 -0.965 -1.547 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.892 -1.525 -3.191 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.574 -0.358 -2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.118 2.345 0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.507 1.316 -0.279 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.899 0.589 -0.047 1.00 0.00 H new ATOM 1395 N THR A 93 -3.138 -0.927 -5.749 1.00 0.00 N ATOM 1396 CA THR A 93 -3.436 -2.082 -6.585 1.00 0.00 C ATOM 1397 C THR A 93 -2.562 -3.274 -6.209 1.00 0.00 C ATOM 1398 O THR A 93 -1.407 -3.364 -6.624 1.00 0.00 O ATOM 1399 CB THR A 93 -3.235 -1.763 -8.078 1.00 0.00 C ATOM 1400 OG1 THR A 93 -4.105 -0.697 -8.473 1.00 0.00 O ATOM 1401 CG2 THR A 93 -3.506 -2.990 -8.935 1.00 0.00 C ATOM 0 H THR A 93 -2.154 -0.658 -5.737 1.00 0.00 H new ATOM 0 HA THR A 93 -4.483 -2.334 -6.413 1.00 0.00 H new ATOM 0 HB THR A 93 -2.199 -1.459 -8.225 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.970 -0.499 -9.423 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.358 -2.740 -9.986 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.822 -3.790 -8.652 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.533 -3.321 -8.782 1.00 0.00 H new ATOM 1409 N VAL A 94 -3.121 -4.186 -5.420 1.00 0.00 N ATOM 1410 CA VAL A 94 -2.392 -5.373 -4.989 1.00 0.00 C ATOM 1411 C VAL A 94 -2.299 -6.399 -6.114 1.00 0.00 C ATOM 1412 O VAL A 94 -3.289 -6.692 -6.785 1.00 0.00 O ATOM 1413 CB VAL A 94 -3.061 -6.029 -3.766 1.00 0.00 C ATOM 1414 CG1 VAL A 94 -2.373 -7.341 -3.421 1.00 0.00 C ATOM 1415 CG2 VAL A 94 -3.043 -5.080 -2.578 1.00 0.00 C ATOM 0 H VAL A 94 -4.076 -4.126 -5.066 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.389 -5.046 -4.714 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.100 -6.246 -4.014 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.859 -7.790 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.442 -8.022 -4.269 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.324 -7.153 -3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.519 -5.559 -1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.012 -4.831 -2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.585 -4.169 -2.832 1.00 0.00 H new ATOM 1425 N ARG A 95 -1.102 -6.941 -6.314 1.00 0.00 N ATOM 1426 CA ARG A 95 -0.878 -7.934 -7.358 1.00 0.00 C ATOM 1427 C ARG A 95 0.148 -8.971 -6.912 1.00 0.00 C ATOM 1428 O ARG A 95 0.953 -8.716 -6.016 1.00 0.00 O ATOM 1429 CB ARG A 95 -0.406 -7.254 -8.645 1.00 0.00 C ATOM 1430 CG ARG A 95 0.816 -6.372 -8.454 1.00 0.00 C ATOM 1431 CD ARG A 95 1.097 -5.533 -9.691 1.00 0.00 C ATOM 1432 NE ARG A 95 0.368 -4.268 -9.671 1.00 0.00 N ATOM 1433 CZ ARG A 95 0.668 -3.234 -10.450 1.00 0.00 C ATOM 1434 NH1 ARG A 95 1.677 -3.317 -11.307 1.00 0.00 N ATOM 1435 NH2 ARG A 95 -0.042 -2.116 -10.374 1.00 0.00 N ATOM 0 H ARG A 95 -0.273 -6.709 -5.767 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.823 -8.443 -7.549 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.179 -8.019 -9.388 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.220 -6.651 -9.047 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.663 -5.717 -7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 95 1.683 -6.993 -8.230 1.00 0.00 H new ATOM 0 HD2 ARG A 95 2.167 -5.334 -9.759 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.820 -6.097 -10.582 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.414 -4.173 -9.024 1.00 0.00 H new ATOM 0 HH11 ARG A 95 2.224 -4.176 -11.369 1.00 0.00 H new ATOM 0 HH12 ARG A 95 1.906 -2.522 -11.904 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -0.819 -2.049 -9.717 1.00 0.00 H new ATOM 0 HH22 ARG A 95 0.189 -1.323 -10.973 1.00 0.00 H new ATOM 1449 N SER A 96 0.113 -10.140 -7.542 1.00 0.00 N ATOM 1450 CA SER A 96 1.037 -11.217 -7.207 1.00 0.00 C ATOM 1451 C SER A 96 0.962 -12.338 -8.240 1.00 0.00 C ATOM 1452 O SER A 96 -0.097 -12.924 -8.461 1.00 0.00 O ATOM 1453 CB SER A 96 0.726 -11.770 -5.815 1.00 0.00 C ATOM 1454 OG SER A 96 1.711 -12.703 -5.405 1.00 0.00 O ATOM 0 H SER A 96 -0.545 -10.366 -8.288 1.00 0.00 H new ATOM 0 HA SER A 96 2.048 -10.809 -7.211 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.676 -10.951 -5.098 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.253 -12.249 -5.821 1.00 0.00 H new ATOM 0 HG SER A 96 1.771 -12.707 -4.427 1.00 0.00 H new ATOM 1460 N VAL A 97 2.096 -12.631 -8.869 1.00 0.00 N ATOM 1461 CA VAL A 97 2.161 -13.682 -9.878 1.00 0.00 C ATOM 1462 C VAL A 97 1.362 -14.907 -9.447 1.00 0.00 C ATOM 1463 O VAL A 97 0.716 -15.560 -10.268 1.00 0.00 O ATOM 1464 CB VAL A 97 3.616 -14.103 -10.156 1.00 0.00 C ATOM 1465 CG1 VAL A 97 3.654 -15.348 -11.029 1.00 0.00 C ATOM 1466 CG2 VAL A 97 4.386 -12.963 -10.805 1.00 0.00 C ATOM 0 H VAL A 97 2.982 -12.155 -8.698 1.00 0.00 H new ATOM 0 HA VAL A 97 1.728 -13.273 -10.791 1.00 0.00 H new ATOM 0 HB VAL A 97 4.095 -14.340 -9.206 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.690 -15.631 -11.215 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.141 -16.164 -10.521 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.158 -15.142 -11.978 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.412 -13.278 -10.994 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.910 -12.692 -11.747 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.389 -12.100 -10.139 1.00 0.00 H new ATOM 1476 N LEU A 98 1.410 -15.214 -8.156 1.00 0.00 N ATOM 1477 CA LEU A 98 0.690 -16.361 -7.614 1.00 0.00 C ATOM 1478 C LEU A 98 -0.797 -16.274 -7.941 1.00 0.00 C ATOM 1479 O LEU A 98 -1.365 -17.183 -8.549 1.00 0.00 O ATOM 1480 CB LEU A 98 0.887 -16.444 -6.100 1.00 0.00 C ATOM 1481 CG LEU A 98 2.330 -16.343 -5.604 1.00 0.00 C ATOM 1482 CD1 LEU A 98 2.376 -15.724 -4.216 1.00 0.00 C ATOM 1483 CD2 LEU A 98 2.990 -17.714 -5.601 1.00 0.00 C ATOM 0 H LEU A 98 1.940 -14.684 -7.464 1.00 0.00 H new ATOM 0 HA LEU A 98 1.093 -17.262 -8.076 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.307 -15.647 -5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.469 -17.388 -5.751 1.00 0.00 H new ATOM 0 HG LEU A 98 2.883 -15.697 -6.285 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.411 -15.660 -3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.943 -14.724 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.807 -16.343 -3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.016 -17.623 -5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.436 -18.383 -4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.991 -18.119 -6.613 1.00 0.00 H new ATOM 1495 N LEU A 99 -1.423 -15.175 -7.535 1.00 0.00 N ATOM 1496 CA LEU A 99 -2.845 -14.967 -7.787 1.00 0.00 C ATOM 1497 C LEU A 99 -3.144 -14.998 -9.282 1.00 0.00 C ATOM 1498 O LEU A 99 -2.240 -15.151 -10.103 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.298 -13.632 -7.192 1.00 0.00 C ATOM 1500 CG LEU A 99 -3.355 -13.562 -5.666 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -3.157 -12.132 -5.189 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.676 -14.119 -5.155 1.00 0.00 C ATOM 0 H LEU A 99 -0.969 -14.414 -7.030 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.396 -15.777 -7.309 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.624 -12.852 -7.547 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.288 -13.400 -7.584 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.547 -14.172 -5.263 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.201 -12.102 -4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.185 -11.768 -5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.943 -11.499 -5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.699 -14.061 -4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.500 -13.536 -5.567 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.777 -15.159 -5.465 1.00 0.00 H new ATOM 1514 N SER A 100 -4.419 -14.849 -9.629 1.00 0.00 N ATOM 1515 CA SER A 100 -4.837 -14.862 -11.026 1.00 0.00 C ATOM 1516 C SER A 100 -5.572 -13.574 -11.384 1.00 0.00 C ATOM 1517 O SER A 100 -6.364 -13.058 -10.595 1.00 0.00 O ATOM 1518 CB SER A 100 -5.737 -16.069 -11.300 1.00 0.00 C ATOM 1519 OG SER A 100 -5.063 -17.282 -11.014 1.00 0.00 O ATOM 0 H SER A 100 -5.180 -14.718 -8.962 1.00 0.00 H new ATOM 0 HA SER A 100 -3.944 -14.936 -11.647 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.640 -15.999 -10.693 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.053 -16.062 -12.343 1.00 0.00 H new ATOM 0 HG SER A 100 -5.323 -17.599 -10.124 1.00 0.00 H new ATOM 1525 N ARG A 101 -5.303 -13.060 -12.580 1.00 0.00 N ATOM 1526 CA ARG A 101 -5.937 -11.832 -13.044 1.00 0.00 C ATOM 1527 C ARG A 101 -7.380 -11.747 -12.557 1.00 0.00 C ATOM 1528 O ARG A 101 -7.907 -10.658 -12.329 1.00 0.00 O ATOM 1529 CB ARG A 101 -5.898 -11.758 -14.571 1.00 0.00 C ATOM 1530 CG ARG A 101 -6.122 -10.358 -15.119 1.00 0.00 C ATOM 1531 CD ARG A 101 -4.895 -9.480 -14.925 1.00 0.00 C ATOM 1532 NE ARG A 101 -5.212 -8.060 -15.055 1.00 0.00 N ATOM 1533 CZ ARG A 101 -4.323 -7.090 -14.874 1.00 0.00 C ATOM 1534 NH1 ARG A 101 -3.070 -7.385 -14.558 1.00 0.00 N ATOM 1535 NH2 ARG A 101 -4.688 -5.821 -15.010 1.00 0.00 N ATOM 0 H ARG A 101 -4.650 -13.475 -13.245 1.00 0.00 H new ATOM 0 HA ARG A 101 -5.382 -10.989 -12.632 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -4.933 -12.125 -14.920 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -6.658 -12.424 -14.978 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -6.365 -10.416 -16.180 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.978 -9.904 -14.620 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -4.467 -9.667 -13.940 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -4.136 -9.751 -15.659 1.00 0.00 H new ATOM 0 HE ARG A 101 -6.168 -7.799 -15.298 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.786 -8.359 -14.453 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.390 -6.638 -14.420 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -5.651 -5.591 -15.254 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.005 -5.076 -14.871 1.00 0.00 H new ATOM 1549 N SER A 102 -8.015 -12.904 -12.400 1.00 0.00 N ATOM 1550 CA SER A 102 -9.399 -12.961 -11.944 1.00 0.00 C ATOM 1551 C SER A 102 -9.475 -12.858 -10.424 1.00 0.00 C ATOM 1552 O SER A 102 -10.149 -11.981 -9.884 1.00 0.00 O ATOM 1553 CB SER A 102 -10.059 -14.260 -12.412 1.00 0.00 C ATOM 1554 OG SER A 102 -10.513 -14.148 -13.749 1.00 0.00 O ATOM 0 H SER A 102 -7.593 -13.815 -12.582 1.00 0.00 H new ATOM 0 HA SER A 102 -9.933 -12.114 -12.375 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.347 -15.082 -12.334 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.898 -14.501 -11.759 1.00 0.00 H new ATOM 0 HG SER A 102 -10.929 -14.991 -14.025 1.00 0.00 H new ATOM 1560 N GLN A 103 -8.779 -13.760 -9.740 1.00 0.00 N ATOM 1561 CA GLN A 103 -8.768 -13.771 -8.282 1.00 0.00 C ATOM 1562 C GLN A 103 -8.407 -12.396 -7.730 1.00 0.00 C ATOM 1563 O GLN A 103 -9.173 -11.800 -6.973 1.00 0.00 O ATOM 1564 CB GLN A 103 -7.777 -14.816 -7.766 1.00 0.00 C ATOM 1565 CG GLN A 103 -8.363 -16.216 -7.674 1.00 0.00 C ATOM 1566 CD GLN A 103 -7.301 -17.282 -7.489 1.00 0.00 C ATOM 1567 OE1 GLN A 103 -6.407 -17.436 -8.322 1.00 0.00 O ATOM 1568 NE2 GLN A 103 -7.393 -18.025 -6.392 1.00 0.00 N ATOM 0 H GLN A 103 -8.216 -14.492 -10.172 1.00 0.00 H new ATOM 0 HA GLN A 103 -9.770 -14.029 -7.939 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -6.908 -14.837 -8.424 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.423 -14.514 -6.780 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -9.064 -16.258 -6.840 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -8.931 -16.428 -8.580 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -8.150 -17.863 -5.728 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -6.706 -18.758 -6.213 1.00 0.00 H new ATOM 1577 N GLN A 104 -7.236 -11.898 -8.114 1.00 0.00 N ATOM 1578 CA GLN A 104 -6.774 -10.593 -7.656 1.00 0.00 C ATOM 1579 C GLN A 104 -7.893 -9.560 -7.738 1.00 0.00 C ATOM 1580 O GLN A 104 -8.154 -8.833 -6.778 1.00 0.00 O ATOM 1581 CB GLN A 104 -5.576 -10.131 -8.488 1.00 0.00 C ATOM 1582 CG GLN A 104 -5.105 -8.726 -8.148 1.00 0.00 C ATOM 1583 CD GLN A 104 -5.246 -8.404 -6.674 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -6.130 -7.645 -6.275 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -4.373 -8.979 -5.855 1.00 0.00 N ATOM 0 H GLN A 104 -6.590 -12.378 -8.741 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.468 -10.689 -6.614 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.751 -10.828 -8.340 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.841 -10.171 -9.545 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -4.061 -8.616 -8.442 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -5.678 -8.004 -8.730 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -3.657 -9.601 -6.229 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.419 -8.798 -4.852 1.00 0.00 H new ATOM 1594 N THR A 105 -8.553 -9.499 -8.890 1.00 0.00 N ATOM 1595 CA THR A 105 -9.643 -8.554 -9.098 1.00 0.00 C ATOM 1596 C THR A 105 -10.532 -8.459 -7.863 1.00 0.00 C ATOM 1597 O THR A 105 -10.976 -7.374 -7.490 1.00 0.00 O ATOM 1598 CB THR A 105 -10.508 -8.952 -10.309 1.00 0.00 C ATOM 1599 OG1 THR A 105 -9.688 -9.076 -11.477 1.00 0.00 O ATOM 1600 CG2 THR A 105 -11.599 -7.921 -10.557 1.00 0.00 C ATOM 0 H THR A 105 -8.351 -10.093 -9.694 1.00 0.00 H new ATOM 0 HA THR A 105 -9.187 -7.583 -9.290 1.00 0.00 H new ATOM 0 HB THR A 105 -10.979 -9.911 -10.092 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.207 -9.930 -11.450 1.00 0.00 H new ATOM 0 HG21 THR A 105 -12.197 -8.223 -11.417 1.00 0.00 H new ATOM 0 HG22 THR A 105 -12.239 -7.849 -9.677 1.00 0.00 H new ATOM 0 HG23 THR A 105 -11.144 -6.950 -10.755 1.00 0.00 H new ATOM 1608 N GLN A 106 -10.785 -9.601 -7.233 1.00 0.00 N ATOM 1609 CA GLN A 106 -11.621 -9.645 -6.039 1.00 0.00 C ATOM 1610 C GLN A 106 -10.887 -9.057 -4.839 1.00 0.00 C ATOM 1611 O GLN A 106 -11.467 -8.313 -4.046 1.00 0.00 O ATOM 1612 CB GLN A 106 -12.042 -11.085 -5.739 1.00 0.00 C ATOM 1613 CG GLN A 106 -12.944 -11.213 -4.521 1.00 0.00 C ATOM 1614 CD GLN A 106 -14.268 -10.497 -4.697 1.00 0.00 C ATOM 1615 OE1 GLN A 106 -14.236 -9.171 -4.646 1.00 0.00 O flip ATOM 1616 NE2 GLN A 106 -15.310 -11.129 -4.878 1.00 0.00 N flip ATOM 0 H GLN A 106 -10.424 -10.508 -7.529 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.511 -9.045 -6.227 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.559 -11.492 -6.608 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.149 -11.691 -5.585 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -13.130 -12.268 -4.321 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -12.430 -10.809 -3.649 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -15.289 -12.148 -4.910 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -16.193 -10.633 -4.996 1.00 0.00 H new ATOM 1625 N LEU A 107 -9.609 -9.394 -4.710 1.00 0.00 N ATOM 1626 CA LEU A 107 -8.794 -8.899 -3.605 1.00 0.00 C ATOM 1627 C LEU A 107 -8.831 -7.376 -3.541 1.00 0.00 C ATOM 1628 O LEU A 107 -9.154 -6.796 -2.506 1.00 0.00 O ATOM 1629 CB LEU A 107 -7.350 -9.380 -3.755 1.00 0.00 C ATOM 1630 CG LEU A 107 -6.398 -9.009 -2.618 1.00 0.00 C ATOM 1631 CD1 LEU A 107 -5.310 -10.061 -2.467 1.00 0.00 C ATOM 1632 CD2 LEU A 107 -5.785 -7.638 -2.862 1.00 0.00 C ATOM 0 H LEU A 107 -9.114 -10.008 -5.357 1.00 0.00 H new ATOM 0 HA LEU A 107 -9.207 -9.293 -2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.358 -10.465 -3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.948 -8.977 -4.685 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.969 -8.971 -1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.642 -9.779 -1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.765 -11.026 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.742 -10.132 -3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.110 -7.390 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.229 -7.650 -3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.576 -6.891 -2.919 1.00 0.00 H new ATOM 1644 N ASN A 108 -8.500 -6.734 -4.657 1.00 0.00 N ATOM 1645 CA ASN A 108 -8.497 -5.277 -4.728 1.00 0.00 C ATOM 1646 C ASN A 108 -9.840 -4.708 -4.283 1.00 0.00 C ATOM 1647 O ASN A 108 -9.917 -3.954 -3.312 1.00 0.00 O ATOM 1648 CB ASN A 108 -8.182 -4.816 -6.153 1.00 0.00 C ATOM 1649 CG ASN A 108 -6.695 -4.632 -6.386 1.00 0.00 C ATOM 1650 OD1 ASN A 108 -6.049 -3.817 -5.727 1.00 0.00 O ATOM 1651 ND2 ASN A 108 -6.145 -5.389 -7.328 1.00 0.00 N ATOM 0 H ASN A 108 -8.231 -7.199 -5.524 1.00 0.00 H new ATOM 0 HA ASN A 108 -7.725 -4.907 -4.054 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -8.570 -5.547 -6.862 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -8.697 -3.876 -6.350 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -5.148 -5.308 -7.530 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -6.719 -6.051 -7.850 1.00 0.00 H new ATOM 1658 N THR A 109 -10.899 -5.073 -4.999 1.00 0.00 N ATOM 1659 CA THR A 109 -12.239 -4.599 -4.679 1.00 0.00 C ATOM 1660 C THR A 109 -12.455 -4.537 -3.171 1.00 0.00 C ATOM 1661 O THR A 109 -13.137 -3.644 -2.669 1.00 0.00 O ATOM 1662 CB THR A 109 -13.319 -5.503 -5.303 1.00 0.00 C ATOM 1663 OG1 THR A 109 -13.156 -5.551 -6.725 1.00 0.00 O ATOM 1664 CG2 THR A 109 -14.712 -4.996 -4.964 1.00 0.00 C ATOM 0 H THR A 109 -10.854 -5.696 -5.805 1.00 0.00 H new ATOM 0 HA THR A 109 -12.328 -3.597 -5.098 1.00 0.00 H new ATOM 0 HB THR A 109 -13.205 -6.505 -4.890 1.00 0.00 H new ATOM 0 HG1 THR A 109 -12.435 -6.175 -6.951 1.00 0.00 H new ATOM 0 HG21 THR A 109 -15.457 -5.651 -5.416 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.843 -4.989 -3.882 1.00 0.00 H new ATOM 0 HG23 THR A 109 -14.835 -3.985 -5.351 1.00 0.00 H new ATOM 1672 N ASP A 110 -11.868 -5.489 -2.455 1.00 0.00 N ATOM 1673 CA ASP A 110 -11.994 -5.541 -1.003 1.00 0.00 C ATOM 1674 C ASP A 110 -10.992 -4.604 -0.336 1.00 0.00 C ATOM 1675 O ASP A 110 -11.365 -3.750 0.469 1.00 0.00 O ATOM 1676 CB ASP A 110 -11.785 -6.971 -0.502 1.00 0.00 C ATOM 1677 CG ASP A 110 -13.056 -7.796 -0.557 1.00 0.00 C ATOM 1678 OD1 ASP A 110 -13.821 -7.643 -1.533 1.00 0.00 O ATOM 1679 OD2 ASP A 110 -13.285 -8.594 0.375 1.00 0.00 O ATOM 0 H ASP A 110 -11.300 -6.235 -2.856 1.00 0.00 H new ATOM 0 HA ASP A 110 -13.000 -5.215 -0.739 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -11.015 -7.455 -1.103 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -11.418 -6.943 0.524 1.00 0.00 H new ATOM 1684 N LEU A 111 -9.719 -4.769 -0.676 1.00 0.00 N ATOM 1685 CA LEU A 111 -8.662 -3.938 -0.110 1.00 0.00 C ATOM 1686 C LEU A 111 -9.150 -2.509 0.108 1.00 0.00 C ATOM 1687 O LEU A 111 -9.197 -2.023 1.238 1.00 0.00 O ATOM 1688 CB LEU A 111 -7.439 -3.937 -1.029 1.00 0.00 C ATOM 1689 CG LEU A 111 -6.421 -2.821 -0.792 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -5.946 -2.831 0.653 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -5.243 -2.962 -1.744 1.00 0.00 C ATOM 0 H LEU A 111 -9.393 -5.471 -1.341 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.382 -4.358 0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -6.929 -4.895 -0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.785 -3.873 -2.061 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.906 -1.865 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.222 -2.030 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.797 -2.680 1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.478 -3.790 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.529 -2.159 -1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.757 -3.924 -1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.598 -2.904 -2.773 1.00 0.00 H new ATOM 1703 N THR A 112 -9.514 -1.841 -0.983 1.00 0.00 N ATOM 1704 CA THR A 112 -9.999 -0.469 -0.911 1.00 0.00 C ATOM 1705 C THR A 112 -11.159 -0.346 0.070 1.00 0.00 C ATOM 1706 O THR A 112 -11.091 0.416 1.034 1.00 0.00 O ATOM 1707 CB THR A 112 -10.455 0.038 -2.293 1.00 0.00 C ATOM 1708 OG1 THR A 112 -9.423 -0.183 -3.260 1.00 0.00 O ATOM 1709 CG2 THR A 112 -10.798 1.519 -2.239 1.00 0.00 C ATOM 0 H THR A 112 -9.482 -2.228 -1.926 1.00 0.00 H new ATOM 0 HA THR A 112 -9.167 0.143 -0.563 1.00 0.00 H new ATOM 0 HB THR A 112 -11.348 -0.515 -2.583 1.00 0.00 H new ATOM 0 HG1 THR A 112 -9.721 0.140 -4.136 1.00 0.00 H new ATOM 0 HG21 THR A 112 -11.117 1.855 -3.226 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.604 1.680 -1.523 1.00 0.00 H new ATOM 0 HG23 THR A 112 -9.919 2.085 -1.930 1.00 0.00 H new ATOM 1717 N ALA A 113 -12.223 -1.102 -0.180 1.00 0.00 N ATOM 1718 CA ALA A 113 -13.396 -1.080 0.684 1.00 0.00 C ATOM 1719 C ALA A 113 -12.998 -0.935 2.148 1.00 0.00 C ATOM 1720 O ALA A 113 -13.424 -0.002 2.829 1.00 0.00 O ATOM 1721 CB ALA A 113 -14.224 -2.341 0.483 1.00 0.00 C ATOM 0 H ALA A 113 -12.296 -1.738 -0.974 1.00 0.00 H new ATOM 0 HA ALA A 113 -14.000 -0.214 0.412 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -15.097 -2.311 1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -14.549 -2.401 -0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -13.620 -3.215 0.726 1.00 0.00 H new ATOM 1727 N PHE A 114 -12.177 -1.864 2.628 1.00 0.00 N ATOM 1728 CA PHE A 114 -11.722 -1.839 4.013 1.00 0.00 C ATOM 1729 C PHE A 114 -11.485 -0.407 4.483 1.00 0.00 C ATOM 1730 O PHE A 114 -12.002 0.012 5.519 1.00 0.00 O ATOM 1731 CB PHE A 114 -10.438 -2.657 4.165 1.00 0.00 C ATOM 1732 CG PHE A 114 -9.575 -2.213 5.311 1.00 0.00 C ATOM 1733 CD1 PHE A 114 -9.974 -2.430 6.620 1.00 0.00 C ATOM 1734 CD2 PHE A 114 -8.366 -1.577 5.080 1.00 0.00 C ATOM 1735 CE1 PHE A 114 -9.183 -2.023 7.678 1.00 0.00 C ATOM 1736 CE2 PHE A 114 -7.571 -1.167 6.134 1.00 0.00 C ATOM 1737 CZ PHE A 114 -7.980 -1.389 7.434 1.00 0.00 C ATOM 0 H PHE A 114 -11.814 -2.643 2.078 1.00 0.00 H new ATOM 0 HA PHE A 114 -12.502 -2.281 4.633 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -10.700 -3.706 4.303 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.863 -2.591 3.241 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -10.915 -2.923 6.816 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -8.041 -1.400 4.065 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -9.505 -2.200 8.694 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -6.630 -0.673 5.941 1.00 0.00 H new ATOM 0 HZ PHE A 114 -7.361 -1.068 8.258 1.00 0.00 H new ATOM 1747 N LEU A 115 -10.698 0.338 3.715 1.00 0.00 N ATOM 1748 CA LEU A 115 -10.391 1.724 4.051 1.00 0.00 C ATOM 1749 C LEU A 115 -11.641 2.594 3.971 1.00 0.00 C ATOM 1750 O LEU A 115 -11.968 3.315 4.913 1.00 0.00 O ATOM 1751 CB LEU A 115 -9.314 2.271 3.112 1.00 0.00 C ATOM 1752 CG LEU A 115 -8.115 1.355 2.860 1.00 0.00 C ATOM 1753 CD1 LEU A 115 -7.506 1.636 1.495 1.00 0.00 C ATOM 1754 CD2 LEU A 115 -7.074 1.527 3.957 1.00 0.00 C ATOM 0 H LEU A 115 -10.261 0.006 2.855 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.018 1.749 5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.779 2.500 2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -8.947 3.212 3.521 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.461 0.322 2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.654 0.975 1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.253 1.462 0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.174 2.673 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.228 0.868 3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.732 2.562 3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.516 1.275 4.921 1.00 0.00 H new ATOM 1766 N GLN A 116 -12.336 2.520 2.840 1.00 0.00 N ATOM 1767 CA GLN A 116 -13.551 3.300 2.638 1.00 0.00 C ATOM 1768 C GLN A 116 -14.495 3.155 3.827 1.00 0.00 C ATOM 1769 O GLN A 116 -15.382 3.983 4.034 1.00 0.00 O ATOM 1770 CB GLN A 116 -14.257 2.861 1.354 1.00 0.00 C ATOM 1771 CG GLN A 116 -13.399 3.007 0.108 1.00 0.00 C ATOM 1772 CD GLN A 116 -14.148 2.651 -1.161 1.00 0.00 C ATOM 1773 OE1 GLN A 116 -13.920 1.598 -1.756 1.00 0.00 O ATOM 1774 NE2 GLN A 116 -15.050 3.530 -1.583 1.00 0.00 N ATOM 0 H GLN A 116 -12.078 1.928 2.050 1.00 0.00 H new ATOM 0 HA GLN A 116 -13.268 4.349 2.548 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -14.562 1.819 1.455 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -15.166 3.449 1.230 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -13.039 4.034 0.037 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -12.521 2.367 0.199 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -15.207 4.391 -1.059 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -15.585 3.344 -2.431 1.00 0.00 H new ATOM 1783 N LYS A 117 -14.299 2.096 4.606 1.00 0.00 N ATOM 1784 CA LYS A 117 -15.132 1.841 5.775 1.00 0.00 C ATOM 1785 C LYS A 117 -14.579 2.557 7.003 1.00 0.00 C ATOM 1786 O LYS A 117 -15.216 3.461 7.546 1.00 0.00 O ATOM 1787 CB LYS A 117 -15.220 0.337 6.045 1.00 0.00 C ATOM 1788 CG LYS A 117 -16.321 -0.041 7.021 1.00 0.00 C ATOM 1789 CD LYS A 117 -15.830 -0.004 8.458 1.00 0.00 C ATOM 1790 CE LYS A 117 -16.962 0.302 9.427 1.00 0.00 C ATOM 1791 NZ LYS A 117 -17.622 1.600 9.116 1.00 0.00 N ATOM 0 H LYS A 117 -13.570 1.400 4.448 1.00 0.00 H new ATOM 0 HA LYS A 117 -16.131 2.227 5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -15.387 -0.184 5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -14.264 -0.010 6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -17.162 0.643 6.905 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -16.689 -1.040 6.787 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -15.380 -0.963 8.714 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -15.050 0.751 8.558 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -17.700 -0.499 9.388 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -16.572 0.327 10.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -17.945 2.045 9.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -16.944 2.228 8.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -18.438 1.434 8.493 1.00 0.00 H new ATOM 1805 N HIS A 118 -13.390 2.149 7.435 1.00 0.00 N ATOM 1806 CA HIS A 118 -12.751 2.754 8.599 1.00 0.00 C ATOM 1807 C HIS A 118 -11.949 3.989 8.197 1.00 0.00 C ATOM 1808 O HIS A 118 -12.288 5.111 8.575 1.00 0.00 O ATOM 1809 CB HIS A 118 -11.838 1.741 9.290 1.00 0.00 C ATOM 1810 CG HIS A 118 -12.482 0.407 9.511 1.00 0.00 C ATOM 1811 ND1 HIS A 118 -13.118 0.063 10.685 1.00 0.00 N ATOM 1812 CD2 HIS A 118 -12.589 -0.670 8.698 1.00 0.00 C ATOM 1813 CE1 HIS A 118 -13.585 -1.168 10.586 1.00 0.00 C ATOM 1814 NE2 HIS A 118 -13.278 -1.635 9.389 1.00 0.00 N ATOM 0 H HIS A 118 -12.850 1.403 6.997 1.00 0.00 H new ATOM 0 HA HIS A 118 -13.533 3.060 9.294 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -10.939 1.606 8.689 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -11.521 2.146 10.251 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -12.204 -0.754 7.693 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -14.126 -1.702 11.353 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -13.515 -2.562 9.036 1.00 0.00 H new ATOM 1823 N CYS A 119 -10.885 3.774 7.432 1.00 0.00 N ATOM 1824 CA CYS A 119 -10.034 4.869 6.980 1.00 0.00 C ATOM 1825 C CYS A 119 -10.696 5.638 5.842 1.00 0.00 C ATOM 1826 O CYS A 119 -10.517 5.309 4.669 1.00 0.00 O ATOM 1827 CB CYS A 119 -8.675 4.333 6.528 1.00 0.00 C ATOM 1828 SG CYS A 119 -7.691 3.599 7.855 1.00 0.00 S ATOM 0 H CYS A 119 -10.591 2.851 7.112 1.00 0.00 H new ATOM 0 HA CYS A 119 -9.887 5.551 7.817 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -8.832 3.585 5.751 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -8.107 5.147 6.077 1.00 0.00 H new ATOM 0 HG CYS A 119 -7.134 4.542 8.555 1.00 0.00 H new ATOM 1834 N HIS A 120 -11.463 6.665 6.196 1.00 0.00 N ATOM 1835 CA HIS A 120 -12.153 7.481 5.203 1.00 0.00 C ATOM 1836 C HIS A 120 -11.965 8.967 5.496 1.00 0.00 C ATOM 1837 O HIS A 120 -12.565 9.508 6.424 1.00 0.00 O ATOM 1838 CB HIS A 120 -13.643 7.139 5.178 1.00 0.00 C ATOM 1839 CG HIS A 120 -14.389 7.796 4.057 1.00 0.00 C ATOM 1840 ND1 HIS A 120 -15.762 7.921 4.039 1.00 0.00 N ATOM 1841 CD2 HIS A 120 -13.945 8.368 2.913 1.00 0.00 C ATOM 1842 CE1 HIS A 120 -16.131 8.540 2.931 1.00 0.00 C ATOM 1843 NE2 HIS A 120 -15.047 8.822 2.231 1.00 0.00 N ATOM 0 H HIS A 120 -11.622 6.951 7.162 1.00 0.00 H new ATOM 0 HA HIS A 120 -11.721 7.264 4.226 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -13.758 6.058 5.096 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -14.092 7.436 6.126 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -12.916 8.452 2.596 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -17.146 8.775 2.646 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -15.031 9.300 1.330 1.00 0.00 H new ATOM 1852 N GLY A 121 -11.126 9.621 4.699 1.00 0.00 N ATOM 1853 CA GLY A 121 -10.873 11.037 4.890 1.00 0.00 C ATOM 1854 C GLY A 121 -9.616 11.299 5.695 1.00 0.00 C ATOM 1855 O GLY A 121 -9.256 12.450 5.941 1.00 0.00 O ATOM 0 H GLY A 121 -10.617 9.195 3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.785 11.521 3.918 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -11.726 11.490 5.396 1.00 0.00 H new ATOM 1859 N ASP A 122 -8.947 10.228 6.108 1.00 0.00 N ATOM 1860 CA ASP A 122 -7.723 10.347 6.892 1.00 0.00 C ATOM 1861 C ASP A 122 -6.556 9.665 6.183 1.00 0.00 C ATOM 1862 O ASP A 122 -6.754 8.799 5.331 1.00 0.00 O ATOM 1863 CB ASP A 122 -7.920 9.737 8.280 1.00 0.00 C ATOM 1864 CG ASP A 122 -9.283 10.052 8.863 1.00 0.00 C ATOM 1865 OD1 ASP A 122 -9.458 11.170 9.391 1.00 0.00 O ATOM 1866 OD2 ASP A 122 -10.175 9.181 8.793 1.00 0.00 O ATOM 0 H ASP A 122 -9.231 9.268 5.913 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.490 11.406 7.000 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.795 8.656 8.219 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -7.146 10.110 8.951 1.00 0.00 H new ATOM 1871 N VAL A 123 -5.339 10.062 6.542 1.00 0.00 N ATOM 1872 CA VAL A 123 -4.141 9.490 5.941 1.00 0.00 C ATOM 1873 C VAL A 123 -3.770 8.168 6.605 1.00 0.00 C ATOM 1874 O VAL A 123 -3.095 8.148 7.635 1.00 0.00 O ATOM 1875 CB VAL A 123 -2.945 10.456 6.043 1.00 0.00 C ATOM 1876 CG1 VAL A 123 -3.063 11.562 5.005 1.00 0.00 C ATOM 1877 CG2 VAL A 123 -2.849 11.037 7.445 1.00 0.00 C ATOM 0 H VAL A 123 -5.157 10.777 7.246 1.00 0.00 H new ATOM 0 HA VAL A 123 -4.368 9.314 4.889 1.00 0.00 H new ATOM 0 HB VAL A 123 -2.030 9.898 5.842 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -2.210 12.235 5.092 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -3.080 11.124 4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -3.984 12.121 5.172 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -1.999 11.717 7.500 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -3.765 11.581 7.677 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -2.715 10.230 8.165 1.00 0.00 H new ATOM 1887 N CYS A 124 -4.216 7.068 6.010 1.00 0.00 N ATOM 1888 CA CYS A 124 -3.931 5.741 6.544 1.00 0.00 C ATOM 1889 C CYS A 124 -3.486 4.792 5.436 1.00 0.00 C ATOM 1890 O CYS A 124 -4.305 4.092 4.839 1.00 0.00 O ATOM 1891 CB CYS A 124 -5.165 5.177 7.250 1.00 0.00 C ATOM 1892 SG CYS A 124 -5.609 6.049 8.770 1.00 0.00 S ATOM 0 H CYS A 124 -4.776 7.068 5.158 1.00 0.00 H new ATOM 0 HA CYS A 124 -3.119 5.834 7.265 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -6.011 5.212 6.563 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -4.988 4.127 7.484 1.00 0.00 H new ATOM 0 HG CYS A 124 -4.863 7.106 8.898 1.00 0.00 H new ATOM 1898 N ILE A 125 -2.185 4.776 5.165 1.00 0.00 N ATOM 1899 CA ILE A 125 -1.632 3.914 4.128 1.00 0.00 C ATOM 1900 C ILE A 125 -1.281 2.539 4.686 1.00 0.00 C ATOM 1901 O ILE A 125 -1.503 1.517 4.035 1.00 0.00 O ATOM 1902 CB ILE A 125 -0.374 4.534 3.492 1.00 0.00 C ATOM 1903 CG1 ILE A 125 -0.756 5.731 2.618 1.00 0.00 C ATOM 1904 CG2 ILE A 125 0.375 3.492 2.676 1.00 0.00 C ATOM 1905 CD1 ILE A 125 -1.760 5.394 1.537 1.00 0.00 C ATOM 0 H ILE A 125 -1.495 5.350 5.649 1.00 0.00 H new ATOM 0 HA ILE A 125 -2.401 3.808 3.363 1.00 0.00 H new ATOM 0 HB ILE A 125 0.283 4.884 4.288 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.167 6.517 3.252 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.144 6.134 2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.262 3.945 2.233 1.00 0.00 H new ATOM 0 HG22 ILE A 125 0.674 2.668 3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.273 3.114 1.885 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.984 6.289 0.957 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -1.344 4.630 0.880 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.676 5.020 1.995 1.00 0.00 H new ATOM 1917 N LEU A 126 -0.733 2.520 5.896 1.00 0.00 N ATOM 1918 CA LEU A 126 -0.352 1.270 6.544 1.00 0.00 C ATOM 1919 C LEU A 126 -1.563 0.362 6.732 1.00 0.00 C ATOM 1920 O LEU A 126 -1.516 -0.826 6.416 1.00 0.00 O ATOM 1921 CB LEU A 126 0.303 1.552 7.897 1.00 0.00 C ATOM 1922 CG LEU A 126 1.794 1.889 7.864 1.00 0.00 C ATOM 1923 CD1 LEU A 126 2.157 2.819 9.011 1.00 0.00 C ATOM 1924 CD2 LEU A 126 2.629 0.618 7.922 1.00 0.00 C ATOM 0 H LEU A 126 -0.543 3.356 6.448 1.00 0.00 H new ATOM 0 HA LEU A 126 0.364 0.760 5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.226 2.380 8.368 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.162 0.680 8.535 1.00 0.00 H new ATOM 0 HG LEU A 126 2.010 2.401 6.926 1.00 0.00 H new ATOM 0 HD11 LEU A 126 3.222 3.048 8.971 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.584 3.742 8.926 1.00 0.00 H new ATOM 0 HD13 LEU A 126 1.925 2.334 9.960 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.688 0.877 7.898 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.408 0.079 8.844 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.390 -0.014 7.066 1.00 0.00 H new ATOM 1936 N ASN A 127 -2.649 0.932 7.246 1.00 0.00 N ATOM 1937 CA ASN A 127 -3.874 0.175 7.474 1.00 0.00 C ATOM 1938 C ASN A 127 -4.136 -0.795 6.326 1.00 0.00 C ATOM 1939 O ASN A 127 -4.691 -1.875 6.527 1.00 0.00 O ATOM 1940 CB ASN A 127 -5.062 1.125 7.635 1.00 0.00 C ATOM 1941 CG ASN A 127 -5.019 1.888 8.945 1.00 0.00 C ATOM 1942 OD1 ASN A 127 -4.242 2.830 9.102 1.00 0.00 O ATOM 1943 ND2 ASN A 127 -5.856 1.483 9.893 1.00 0.00 N ATOM 0 H ASN A 127 -2.705 1.915 7.512 1.00 0.00 H new ATOM 0 HA ASN A 127 -3.751 -0.401 8.391 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -5.073 1.832 6.806 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -5.989 0.555 7.580 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -5.872 1.958 10.796 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -6.483 0.697 9.718 1.00 0.00 H new ATOM 1950 N ALA A 128 -3.731 -0.402 5.122 1.00 0.00 N ATOM 1951 CA ALA A 128 -3.920 -1.237 3.943 1.00 0.00 C ATOM 1952 C ALA A 128 -2.928 -2.395 3.926 1.00 0.00 C ATOM 1953 O ALA A 128 -3.319 -3.563 3.903 1.00 0.00 O ATOM 1954 CB ALA A 128 -3.782 -0.403 2.678 1.00 0.00 C ATOM 0 H ALA A 128 -3.270 0.489 4.938 1.00 0.00 H new ATOM 0 HA ALA A 128 -4.926 -1.655 3.982 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -3.926 -1.040 1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -4.534 0.386 2.679 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.788 0.043 2.643 1.00 0.00 H new ATOM 1960 N THR A 129 -1.640 -2.065 3.936 1.00 0.00 N ATOM 1961 CA THR A 129 -0.591 -3.077 3.920 1.00 0.00 C ATOM 1962 C THR A 129 -0.803 -4.106 5.025 1.00 0.00 C ATOM 1963 O THR A 129 -0.289 -5.221 4.953 1.00 0.00 O ATOM 1964 CB THR A 129 0.803 -2.444 4.084 1.00 0.00 C ATOM 1965 OG1 THR A 129 0.868 -1.711 5.312 1.00 0.00 O ATOM 1966 CG2 THR A 129 1.118 -1.519 2.918 1.00 0.00 C ATOM 0 H THR A 129 -1.298 -1.104 3.955 1.00 0.00 H new ATOM 0 HA THR A 129 -0.645 -3.572 2.951 1.00 0.00 H new ATOM 0 HB THR A 129 1.541 -3.246 4.101 1.00 0.00 H new ATOM 0 HG1 THR A 129 -0.040 -1.541 5.640 1.00 0.00 H new ATOM 0 HG21 THR A 129 2.108 -1.084 3.056 1.00 0.00 H new ATOM 0 HG22 THR A 129 1.098 -2.087 1.988 1.00 0.00 H new ATOM 0 HG23 THR A 129 0.374 -0.723 2.874 1.00 0.00 H new ATOM 1974 N GLU A 130 -1.563 -3.723 6.046 1.00 0.00 N ATOM 1975 CA GLU A 130 -1.842 -4.613 7.167 1.00 0.00 C ATOM 1976 C GLU A 130 -3.075 -5.468 6.889 1.00 0.00 C ATOM 1977 O GLU A 130 -3.157 -6.617 7.323 1.00 0.00 O ATOM 1978 CB GLU A 130 -2.046 -3.806 8.450 1.00 0.00 C ATOM 1979 CG GLU A 130 -0.753 -3.285 9.054 1.00 0.00 C ATOM 1980 CD GLU A 130 -0.931 -2.787 10.475 1.00 0.00 C ATOM 1981 OE1 GLU A 130 -1.231 -1.587 10.649 1.00 0.00 O ATOM 1982 OE2 GLU A 130 -0.771 -3.597 11.413 1.00 0.00 O ATOM 0 H GLU A 130 -1.996 -2.803 6.120 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.984 -5.273 7.295 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -2.704 -2.963 8.238 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -2.555 -4.430 9.185 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -0.006 -4.078 9.042 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -0.368 -2.475 8.435 1.00 0.00 H new ATOM 1989 N TRP A 131 -4.030 -4.898 6.163 1.00 0.00 N ATOM 1990 CA TRP A 131 -5.260 -5.607 5.827 1.00 0.00 C ATOM 1991 C TRP A 131 -5.057 -6.503 4.610 1.00 0.00 C ATOM 1992 O TRP A 131 -5.841 -7.419 4.364 1.00 0.00 O ATOM 1993 CB TRP A 131 -6.390 -4.612 5.561 1.00 0.00 C ATOM 1994 CG TRP A 131 -7.641 -5.257 5.045 1.00 0.00 C ATOM 1995 CD1 TRP A 131 -8.818 -5.419 5.719 1.00 0.00 C ATOM 1996 CD2 TRP A 131 -7.838 -5.828 3.747 1.00 0.00 C ATOM 1997 NE1 TRP A 131 -9.734 -6.056 4.918 1.00 0.00 N ATOM 1998 CE2 TRP A 131 -9.158 -6.317 3.703 1.00 0.00 C ATOM 1999 CE3 TRP A 131 -7.028 -5.972 2.617 1.00 0.00 C ATOM 2000 CZ2 TRP A 131 -9.683 -6.940 2.574 1.00 0.00 C ATOM 2001 CZ3 TRP A 131 -7.551 -6.591 1.497 1.00 0.00 C ATOM 2002 CH2 TRP A 131 -8.868 -7.068 1.482 1.00 0.00 C ATOM 0 H TRP A 131 -3.977 -3.948 5.796 1.00 0.00 H new ATOM 0 HA TRP A 131 -5.531 -6.235 6.676 1.00 0.00 H new ATOM 0 HB2 TRP A 131 -6.619 -4.078 6.483 1.00 0.00 H new ATOM 0 HB3 TRP A 131 -6.048 -3.870 4.840 1.00 0.00 H new ATOM 0 HD1 TRP A 131 -9.001 -5.094 6.733 1.00 0.00 H new ATOM 0 HE1 TRP A 131 -10.689 -6.296 5.185 1.00 0.00 H new ATOM 0 HE3 TRP A 131 -6.012 -5.606 2.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 -10.698 -7.309 2.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 -6.934 -6.709 0.619 1.00 0.00 H new ATOM 0 HH2 TRP A 131 -9.248 -7.546 0.591 1.00 0.00 H new ATOM 2013 N VAL A 132 -4.000 -6.232 3.851 1.00 0.00 N ATOM 2014 CA VAL A 132 -3.693 -7.015 2.660 1.00 0.00 C ATOM 2015 C VAL A 132 -2.847 -8.235 3.007 1.00 0.00 C ATOM 2016 O VAL A 132 -3.162 -9.355 2.606 1.00 0.00 O ATOM 2017 CB VAL A 132 -2.950 -6.170 1.609 1.00 0.00 C ATOM 2018 CG1 VAL A 132 -2.269 -7.067 0.586 1.00 0.00 C ATOM 2019 CG2 VAL A 132 -3.907 -5.203 0.929 1.00 0.00 C ATOM 0 H VAL A 132 -3.342 -5.476 4.040 1.00 0.00 H new ATOM 0 HA VAL A 132 -4.645 -7.344 2.243 1.00 0.00 H new ATOM 0 HB VAL A 132 -2.180 -5.588 2.115 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -1.749 -6.452 -0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -1.551 -7.714 1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -3.018 -7.678 0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -3.365 -4.614 0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -4.701 -5.764 0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.342 -4.537 1.674 1.00 0.00 H new ATOM 2029 N ARG A 133 -1.772 -8.009 3.755 1.00 0.00 N ATOM 2030 CA ARG A 133 -0.880 -9.090 4.155 1.00 0.00 C ATOM 2031 C ARG A 133 -1.674 -10.295 4.653 1.00 0.00 C ATOM 2032 O ARG A 133 -1.202 -11.429 4.590 1.00 0.00 O ATOM 2033 CB ARG A 133 0.078 -8.611 5.247 1.00 0.00 C ATOM 2034 CG ARG A 133 -0.597 -8.368 6.587 1.00 0.00 C ATOM 2035 CD ARG A 133 0.422 -8.159 7.696 1.00 0.00 C ATOM 2036 NE ARG A 133 1.208 -6.945 7.495 1.00 0.00 N ATOM 2037 CZ ARG A 133 2.314 -6.664 8.175 1.00 0.00 C ATOM 2038 NH1 ARG A 133 2.762 -7.507 9.095 1.00 0.00 N ATOM 2039 NH2 ARG A 133 2.974 -5.538 7.936 1.00 0.00 N ATOM 0 H ARG A 133 -1.498 -7.088 4.096 1.00 0.00 H new ATOM 0 HA ARG A 133 -0.303 -9.393 3.281 1.00 0.00 H new ATOM 0 HB2 ARG A 133 0.867 -9.352 5.376 1.00 0.00 H new ATOM 0 HB3 ARG A 133 0.557 -7.689 4.919 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.244 -7.493 6.516 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -1.235 -9.217 6.833 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -0.093 -8.103 8.655 1.00 0.00 H new ATOM 0 HD3 ARG A 133 1.089 -9.020 7.742 1.00 0.00 H new ATOM 0 HE ARG A 133 0.890 -6.276 6.794 1.00 0.00 H new ATOM 0 HH11 ARG A 133 2.257 -8.373 9.282 1.00 0.00 H new ATOM 0 HH12 ARG A 133 3.611 -7.289 9.616 1.00 0.00 H new ATOM 0 HH21 ARG A 133 2.632 -4.887 7.229 1.00 0.00 H new ATOM 0 HH22 ARG A 133 3.823 -5.324 8.459 1.00 0.00 H new ATOM 2053 N GLU A 134 -2.881 -10.038 5.147 1.00 0.00 N ATOM 2054 CA GLU A 134 -3.738 -11.101 5.657 1.00 0.00 C ATOM 2055 C GLU A 134 -4.713 -11.576 4.583 1.00 0.00 C ATOM 2056 O GLU A 134 -4.628 -12.708 4.107 1.00 0.00 O ATOM 2057 CB GLU A 134 -4.512 -10.619 6.886 1.00 0.00 C ATOM 2058 CG GLU A 134 -3.728 -10.736 8.183 1.00 0.00 C ATOM 2059 CD GLU A 134 -4.623 -10.950 9.388 1.00 0.00 C ATOM 2060 OE1 GLU A 134 -5.357 -11.960 9.410 1.00 0.00 O ATOM 2061 OE2 GLU A 134 -4.588 -10.108 10.309 1.00 0.00 O ATOM 0 H GLU A 134 -3.287 -9.104 5.205 1.00 0.00 H new ATOM 0 HA GLU A 134 -3.102 -11.939 5.943 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -4.801 -9.578 6.738 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -5.433 -11.196 6.974 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -3.025 -11.566 8.105 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -3.138 -9.831 8.329 1.00 0.00 H new ATOM 2068 N HIS A 135 -5.641 -10.701 4.206 1.00 0.00 N ATOM 2069 CA HIS A 135 -6.633 -11.029 3.189 1.00 0.00 C ATOM 2070 C HIS A 135 -5.982 -11.739 2.005 1.00 0.00 C ATOM 2071 O HIS A 135 -6.497 -12.742 1.511 1.00 0.00 O ATOM 2072 CB HIS A 135 -7.343 -9.762 2.711 1.00 0.00 C ATOM 2073 CG HIS A 135 -8.558 -9.416 3.516 1.00 0.00 C ATOM 2074 ND1 HIS A 135 -9.844 -9.615 3.061 1.00 0.00 N ATOM 2075 CD2 HIS A 135 -8.677 -8.884 4.755 1.00 0.00 C ATOM 2076 CE1 HIS A 135 -10.702 -9.218 3.984 1.00 0.00 C ATOM 2077 NE2 HIS A 135 -10.019 -8.770 5.022 1.00 0.00 N ATOM 0 H HIS A 135 -5.726 -9.760 4.590 1.00 0.00 H new ATOM 0 HA HIS A 135 -7.366 -11.701 3.635 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -6.643 -8.927 2.748 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -7.633 -9.889 1.668 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -7.867 -8.602 5.411 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -11.778 -9.254 3.903 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -10.423 -8.400 5.882 1.00 0.00 H new ATOM 2086 N ALA A 136 -4.849 -11.211 1.555 1.00 0.00 N ATOM 2087 CA ALA A 136 -4.128 -11.794 0.430 1.00 0.00 C ATOM 2088 C ALA A 136 -4.093 -13.316 0.531 1.00 0.00 C ATOM 2089 O ALA A 136 -4.687 -14.015 -0.289 1.00 0.00 O ATOM 2090 CB ALA A 136 -2.715 -11.235 0.362 1.00 0.00 C ATOM 0 H ALA A 136 -4.410 -10.380 1.952 1.00 0.00 H new ATOM 0 HA ALA A 136 -4.656 -11.528 -0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -2.188 -11.679 -0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.757 -10.153 0.235 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.185 -11.472 1.285 1.00 0.00 H new ATOM 2096 N SER A 137 -3.392 -13.821 1.541 1.00 0.00 N ATOM 2097 CA SER A 137 -3.275 -15.260 1.746 1.00 0.00 C ATOM 2098 C SER A 137 -4.653 -15.914 1.805 1.00 0.00 C ATOM 2099 O SER A 137 -4.783 -17.128 1.659 1.00 0.00 O ATOM 2100 CB SER A 137 -2.504 -15.552 3.034 1.00 0.00 C ATOM 2101 OG SER A 137 -2.581 -16.926 3.375 1.00 0.00 O ATOM 0 H SER A 137 -2.897 -13.255 2.230 1.00 0.00 H new ATOM 0 HA SER A 137 -2.729 -15.679 0.901 1.00 0.00 H new ATOM 0 HB2 SER A 137 -1.460 -15.263 2.910 1.00 0.00 H new ATOM 0 HB3 SER A 137 -2.907 -14.949 3.848 1.00 0.00 H new ATOM 0 HG SER A 137 -2.079 -17.087 4.201 1.00 0.00 H new ATOM 2107 N GLY A 138 -5.680 -15.097 2.021 1.00 0.00 N ATOM 2108 CA GLY A 138 -7.034 -15.612 2.097 1.00 0.00 C ATOM 2109 C GLY A 138 -7.594 -15.974 0.735 1.00 0.00 C ATOM 2110 O GLY A 138 -8.487 -16.815 0.627 1.00 0.00 O ATOM 0 H GLY A 138 -5.598 -14.088 2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.049 -16.493 2.738 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -7.677 -14.867 2.565 1.00 0.00 H new ATOM 2114 N TYR A 139 -7.069 -15.339 -0.306 1.00 0.00 N ATOM 2115 CA TYR A 139 -7.524 -15.596 -1.667 1.00 0.00 C ATOM 2116 C TYR A 139 -6.642 -16.636 -2.350 1.00 0.00 C ATOM 2117 O TYR A 139 -7.033 -17.240 -3.349 1.00 0.00 O ATOM 2118 CB TYR A 139 -7.526 -14.300 -2.480 1.00 0.00 C ATOM 2119 CG TYR A 139 -8.512 -13.270 -1.976 1.00 0.00 C ATOM 2120 CD1 TYR A 139 -9.816 -13.236 -2.455 1.00 0.00 C ATOM 2121 CD2 TYR A 139 -8.139 -12.331 -1.022 1.00 0.00 C ATOM 2122 CE1 TYR A 139 -10.720 -12.296 -1.998 1.00 0.00 C ATOM 2123 CE2 TYR A 139 -9.037 -11.389 -0.558 1.00 0.00 C ATOM 2124 CZ TYR A 139 -10.326 -11.376 -1.049 1.00 0.00 C ATOM 2125 OH TYR A 139 -11.223 -10.438 -0.591 1.00 0.00 O ATOM 0 H TYR A 139 -6.328 -14.642 -0.234 1.00 0.00 H new ATOM 0 HA TYR A 139 -8.540 -15.986 -1.615 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -6.525 -13.870 -2.465 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -7.757 -14.533 -3.519 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -10.128 -13.956 -3.197 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -7.130 -12.338 -0.637 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -11.729 -12.282 -2.382 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -8.731 -10.667 0.185 1.00 0.00 H new ATOM 0 HH TYR A 139 -10.787 -9.866 0.075 1.00 0.00 H new ATOM 2135 N VAL A 140 -5.448 -16.841 -1.802 1.00 0.00 N ATOM 2136 CA VAL A 140 -4.509 -17.809 -2.356 1.00 0.00 C ATOM 2137 C VAL A 140 -4.717 -19.189 -1.742 1.00 0.00 C ATOM 2138 O VAL A 140 -4.015 -20.143 -2.080 1.00 0.00 O ATOM 2139 CB VAL A 140 -3.050 -17.372 -2.126 1.00 0.00 C ATOM 2140 CG1 VAL A 140 -2.105 -18.184 -2.998 1.00 0.00 C ATOM 2141 CG2 VAL A 140 -2.892 -15.883 -2.396 1.00 0.00 C ATOM 0 H VAL A 140 -5.109 -16.350 -0.975 1.00 0.00 H new ATOM 0 HA VAL A 140 -4.701 -17.858 -3.428 1.00 0.00 H new ATOM 0 HB VAL A 140 -2.793 -17.558 -1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -1.079 -17.861 -2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -2.200 -19.241 -2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -2.358 -18.033 -4.047 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.855 -15.591 -2.229 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -3.167 -15.669 -3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -3.540 -15.321 -1.724 1.00 0.00 H new