USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 594 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 69 SER OG : rot -86:sc= 1.2 USER MOD Set 1.2: A 71 THR OG1 : rot -57:sc= 0.5 USER MOD Set 2.1: A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 80 MET CE :methyl -116:sc= -0.279 (180deg=-4.49!) USER MOD Set 3.1: A 38 THR OG1 : rot -107:sc= -4.51! USER MOD Set 3.2: A 58 GLN :FLIP amide:sc= 0.0108 F(o=-5.3,f=-4.5) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0288 X(o=-0.029,f=-0.13) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0477 USER MOD Single : A 16 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.017) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.23) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot 30:sc= 0.0369 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -145:sc= -0.494 (180deg=-1.41!) USER MOD Single : A 50 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.58) USER MOD Single : A 51 ASN : amide:sc=-0.00161 K(o=-0.0016,f=-1.2) USER MOD Single : A 53 THR OG1 : rot -150:sc= -0.0615 USER MOD Single : A 60 MET CE :methyl 179:sc= 0 (180deg=-0.000917) USER MOD Single : A 81 MET CE :methyl 147:sc= -1.21 (180deg=-3.08!) USER MOD ----------------------------------------------------------------- ATOM 65 N TYR A 5 -6.064 8.541 1.192 1.00 0.00 N ATOM 66 CA TYR A 5 -5.820 7.598 0.092 1.00 0.00 C ATOM 67 C TYR A 5 -7.042 7.524 -0.826 1.00 0.00 C ATOM 68 O TYR A 5 -6.915 7.534 -2.052 1.00 0.00 O ATOM 69 CB TYR A 5 -5.527 6.190 0.632 1.00 0.00 C ATOM 70 CG TYR A 5 -4.314 6.224 1.534 1.00 0.00 C ATOM 71 CD1 TYR A 5 -3.027 6.181 0.984 1.00 0.00 C ATOM 72 CD2 TYR A 5 -4.478 6.298 2.922 1.00 0.00 C ATOM 73 CE1 TYR A 5 -1.907 6.213 1.820 1.00 0.00 C ATOM 74 CE2 TYR A 5 -3.357 6.330 3.760 1.00 0.00 C ATOM 75 CZ TYR A 5 -2.072 6.288 3.211 1.00 0.00 C ATOM 76 OH TYR A 5 -0.968 6.321 4.039 1.00 0.00 O ATOM 0 HA TYR A 5 -4.956 7.959 -0.466 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -6.390 5.816 1.183 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -5.355 5.502 -0.196 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.900 6.123 -0.087 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.470 6.330 3.347 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.915 6.180 1.395 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.485 6.387 4.831 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.261 6.374 4.973 1.00 0.00 H new ATOM 86 N LYS A 6 -8.225 7.450 -0.209 1.00 0.00 N ATOM 87 CA LYS A 6 -9.482 7.372 -0.960 1.00 0.00 C ATOM 88 C LYS A 6 -9.842 8.726 -1.581 1.00 0.00 C ATOM 89 O LYS A 6 -10.511 8.786 -2.611 1.00 0.00 O ATOM 90 CB LYS A 6 -10.628 6.932 -0.042 1.00 0.00 C ATOM 91 CG LYS A 6 -10.413 5.481 0.398 1.00 0.00 C ATOM 92 CD LYS A 6 -9.658 5.454 1.731 1.00 0.00 C ATOM 93 CE LYS A 6 -9.933 4.132 2.454 1.00 0.00 C ATOM 94 NZ LYS A 6 -8.985 3.088 1.966 1.00 0.00 N ATOM 0 H LYS A 6 -8.339 7.442 0.805 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.341 6.640 -1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.677 7.583 0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.580 7.026 -0.564 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.373 4.976 0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.849 4.940 -0.362 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.588 5.568 1.556 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.971 6.292 2.354 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.821 4.264 3.530 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.961 3.816 2.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.173 2.191 2.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.112 2.955 0.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.008 3.389 2.157 1.00 0.00 H new ATOM 108 N ALA A 7 -9.400 9.813 -0.940 1.00 0.00 N ATOM 109 CA ALA A 7 -9.689 11.160 -1.436 1.00 0.00 C ATOM 110 C ALA A 7 -9.086 11.386 -2.827 1.00 0.00 C ATOM 111 O ALA A 7 -9.691 12.050 -3.670 1.00 0.00 O ATOM 112 CB ALA A 7 -9.134 12.215 -0.475 1.00 0.00 C ATOM 0 H ALA A 7 -8.846 9.786 -0.084 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.773 11.255 -1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.358 13.210 -0.859 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.594 12.092 0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.054 12.094 -0.386 1.00 0.00 H new ATOM 118 N ALA A 8 -7.889 10.831 -3.058 1.00 0.00 N ATOM 119 CA ALA A 8 -7.214 10.987 -4.351 1.00 0.00 C ATOM 120 C ALA A 8 -7.881 10.130 -5.426 1.00 0.00 C ATOM 121 O ALA A 8 -8.118 10.597 -6.541 1.00 0.00 O ATOM 122 CB ALA A 8 -5.741 10.589 -4.239 1.00 0.00 C ATOM 0 H ALA A 8 -7.374 10.276 -2.374 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.289 12.037 -4.635 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.256 10.711 -5.208 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.247 11.224 -3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.668 9.548 -3.926 1.00 0.00 H new ATOM 128 N VAL A 9 -8.185 8.877 -5.078 1.00 0.00 N ATOM 129 CA VAL A 9 -8.835 7.967 -6.025 1.00 0.00 C ATOM 130 C VAL A 9 -10.272 8.426 -6.324 1.00 0.00 C ATOM 131 O VAL A 9 -10.846 8.069 -7.355 1.00 0.00 O ATOM 132 CB VAL A 9 -8.840 6.531 -5.475 1.00 0.00 C ATOM 133 CG1 VAL A 9 -9.830 6.405 -4.315 1.00 0.00 C ATOM 134 CG2 VAL A 9 -9.233 5.555 -6.588 1.00 0.00 C ATOM 0 H VAL A 9 -7.995 8.473 -4.161 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.267 7.984 -6.955 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.840 6.293 -5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.821 5.382 -3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.543 7.089 -3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.832 6.654 -4.663 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.236 4.538 -6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.228 5.805 -6.956 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.515 5.627 -7.405 1.00 0.00 H new ATOM 144 N GLU A 10 -10.839 9.228 -5.415 1.00 0.00 N ATOM 145 CA GLU A 10 -12.197 9.743 -5.593 1.00 0.00 C ATOM 146 C GLU A 10 -12.211 10.974 -6.511 1.00 0.00 C ATOM 147 O GLU A 10 -13.252 11.320 -7.071 1.00 0.00 O ATOM 148 CB GLU A 10 -12.805 10.129 -4.240 1.00 0.00 C ATOM 149 CG GLU A 10 -13.457 8.901 -3.602 1.00 0.00 C ATOM 150 CD GLU A 10 -13.883 9.232 -2.173 1.00 0.00 C ATOM 151 OE1 GLU A 10 -14.989 9.717 -2.004 1.00 0.00 O ATOM 152 OE2 GLU A 10 -13.097 8.996 -1.270 1.00 0.00 O ATOM 0 H GLU A 10 -10.381 9.531 -4.556 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.787 8.950 -6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.032 10.526 -3.582 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.545 10.918 -4.374 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.322 8.591 -4.188 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.757 8.065 -3.599 1.00 0.00 H new ATOM 159 N GLN A 11 -11.052 11.640 -6.654 1.00 0.00 N ATOM 160 CA GLN A 11 -10.971 12.837 -7.499 1.00 0.00 C ATOM 161 C GLN A 11 -9.858 12.723 -8.553 1.00 0.00 C ATOM 162 O GLN A 11 -9.335 13.735 -9.027 1.00 0.00 O ATOM 163 CB GLN A 11 -10.728 14.083 -6.633 1.00 0.00 C ATOM 164 CG GLN A 11 -9.311 14.050 -6.043 1.00 0.00 C ATOM 165 CD GLN A 11 -9.208 15.044 -4.887 1.00 0.00 C ATOM 166 OE1 GLN A 11 -9.729 16.157 -4.966 1.00 0.00 O ATOM 167 NE2 GLN A 11 -8.554 14.707 -3.807 1.00 0.00 N ATOM 0 H GLN A 11 -10.176 11.374 -6.204 1.00 0.00 H new ATOM 0 HA GLN A 11 -11.923 12.928 -8.021 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.859 14.983 -7.233 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.463 14.126 -5.830 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.077 13.045 -5.692 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.581 14.297 -6.813 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.122 13.786 -3.739 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.476 15.365 -3.032 1.00 0.00 H new ATOM 176 N LEU A 12 -9.507 11.488 -8.928 1.00 0.00 N ATOM 177 CA LEU A 12 -8.460 11.281 -9.937 1.00 0.00 C ATOM 178 C LEU A 12 -9.019 11.490 -11.346 1.00 0.00 C ATOM 179 O LEU A 12 -10.228 11.641 -11.537 1.00 0.00 O ATOM 180 CB LEU A 12 -7.851 9.869 -9.844 1.00 0.00 C ATOM 181 CG LEU A 12 -8.820 8.723 -9.516 1.00 0.00 C ATOM 182 CD1 LEU A 12 -10.060 8.800 -10.410 1.00 0.00 C ATOM 183 CD2 LEU A 12 -8.114 7.385 -9.747 1.00 0.00 C ATOM 0 H LEU A 12 -9.922 10.633 -8.558 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.677 12.013 -9.738 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.366 9.644 -10.794 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.071 9.884 -9.083 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.130 8.809 -8.474 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.737 7.981 -10.165 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.567 9.751 -10.247 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.760 8.723 -11.455 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.798 6.568 -9.516 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.802 7.313 -10.789 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.238 7.319 -9.101 1.00 0.00 H new ATOM 195 N THR A 13 -8.120 11.497 -12.332 1.00 0.00 N ATOM 196 CA THR A 13 -8.521 11.684 -13.727 1.00 0.00 C ATOM 197 C THR A 13 -8.564 10.343 -14.454 1.00 0.00 C ATOM 198 O THR A 13 -8.071 9.329 -13.952 1.00 0.00 O ATOM 199 CB THR A 13 -7.542 12.609 -14.469 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.299 12.662 -13.776 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.134 14.015 -14.566 1.00 0.00 C ATOM 0 H THR A 13 -7.117 11.376 -12.192 1.00 0.00 H new ATOM 0 HA THR A 13 -9.512 12.139 -13.721 1.00 0.00 H new ATOM 0 HB THR A 13 -7.375 12.215 -15.472 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.681 13.252 -14.257 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.437 14.668 -15.092 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.077 13.976 -15.111 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.310 14.406 -13.564 1.00 0.00 H new ATOM 209 N ASP A 14 -9.136 10.359 -15.660 1.00 0.00 N ATOM 210 CA ASP A 14 -9.214 9.148 -16.472 1.00 0.00 C ATOM 211 C ASP A 14 -7.824 8.798 -16.995 1.00 0.00 C ATOM 212 O ASP A 14 -7.482 7.624 -17.148 1.00 0.00 O ATOM 213 CB ASP A 14 -10.161 9.347 -17.658 1.00 0.00 C ATOM 214 CG ASP A 14 -11.605 9.173 -17.193 1.00 0.00 C ATOM 215 OD1 ASP A 14 -12.050 8.039 -17.117 1.00 0.00 O ATOM 216 OD2 ASP A 14 -12.244 10.175 -16.920 1.00 0.00 O ATOM 0 H ASP A 14 -9.547 11.188 -16.090 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.597 8.339 -15.850 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.023 10.340 -18.085 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.932 8.628 -18.444 1.00 0.00 H new ATOM 221 N GLU A 15 -7.019 9.840 -17.251 1.00 0.00 N ATOM 222 CA GLU A 15 -5.655 9.647 -17.740 1.00 0.00 C ATOM 223 C GLU A 15 -4.800 8.945 -16.680 1.00 0.00 C ATOM 224 O GLU A 15 -3.926 8.145 -17.011 1.00 0.00 O ATOM 225 CB GLU A 15 -5.020 10.995 -18.121 1.00 0.00 C ATOM 226 CG GLU A 15 -4.678 11.823 -16.870 1.00 0.00 C ATOM 227 CD GLU A 15 -3.216 11.602 -16.471 1.00 0.00 C ATOM 228 OE1 GLU A 15 -2.352 11.786 -17.315 1.00 0.00 O ATOM 229 OE2 GLU A 15 -2.980 11.260 -15.323 1.00 0.00 O ATOM 0 H GLU A 15 -7.290 10.815 -17.127 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.698 9.018 -18.629 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.115 10.822 -18.704 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.706 11.556 -18.756 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.853 12.881 -17.067 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.334 11.539 -16.047 1.00 0.00 H new ATOM 236 N GLN A 16 -5.079 9.246 -15.403 1.00 0.00 N ATOM 237 CA GLN A 16 -4.348 8.634 -14.291 1.00 0.00 C ATOM 238 C GLN A 16 -4.578 7.125 -14.278 1.00 0.00 C ATOM 239 O GLN A 16 -3.650 6.341 -14.071 1.00 0.00 O ATOM 240 CB GLN A 16 -4.814 9.229 -12.957 1.00 0.00 C ATOM 241 CG GLN A 16 -3.759 8.974 -11.875 1.00 0.00 C ATOM 242 CD GLN A 16 -4.407 8.274 -10.683 1.00 0.00 C ATOM 243 OE1 GLN A 16 -4.431 8.816 -9.577 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.939 7.091 -10.840 1.00 0.00 N ATOM 0 H GLN A 16 -5.802 9.907 -15.119 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.285 8.837 -14.424 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.984 10.300 -13.066 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.764 8.784 -12.663 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.953 8.360 -12.276 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.313 9.917 -11.558 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.920 6.641 -11.755 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.373 6.618 -10.048 1.00 0.00 H new ATOM 253 N LYS A 17 -5.830 6.731 -14.520 1.00 0.00 N ATOM 254 CA LYS A 17 -6.186 5.313 -14.556 1.00 0.00 C ATOM 255 C LYS A 17 -5.540 4.641 -15.770 1.00 0.00 C ATOM 256 O LYS A 17 -5.102 3.496 -15.691 1.00 0.00 O ATOM 257 CB LYS A 17 -7.707 5.137 -14.640 1.00 0.00 C ATOM 258 CG LYS A 17 -8.368 5.754 -13.402 1.00 0.00 C ATOM 259 CD LYS A 17 -9.733 6.333 -13.785 1.00 0.00 C ATOM 260 CE LYS A 17 -10.745 6.037 -12.675 1.00 0.00 C ATOM 261 NZ LYS A 17 -12.119 5.975 -13.252 1.00 0.00 N ATOM 0 H LYS A 17 -6.607 7.368 -14.692 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.822 4.850 -13.639 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.088 5.613 -15.543 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.957 4.078 -14.708 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.487 4.998 -12.626 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.732 6.537 -12.990 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.653 7.409 -13.940 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.072 5.900 -14.726 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.501 5.092 -12.189 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.696 6.811 -11.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.804 5.774 -12.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.351 6.887 -13.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.161 5.221 -13.967 1.00 0.00 H new ATOM 275 N ASN A 18 -5.485 5.374 -16.890 1.00 0.00 N ATOM 276 CA ASN A 18 -4.891 4.846 -18.125 1.00 0.00 C ATOM 277 C ASN A 18 -3.387 4.592 -17.963 1.00 0.00 C ATOM 278 O ASN A 18 -2.841 3.677 -18.581 1.00 0.00 O ATOM 279 CB ASN A 18 -5.106 5.821 -19.290 1.00 0.00 C ATOM 280 CG ASN A 18 -6.547 5.721 -19.787 1.00 0.00 C ATOM 281 OD1 ASN A 18 -7.031 4.633 -20.095 1.00 0.00 O ATOM 282 ND2 ASN A 18 -7.270 6.806 -19.887 1.00 0.00 N ATOM 0 H ASN A 18 -5.842 6.327 -16.966 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.388 3.900 -18.339 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.892 6.840 -18.968 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.415 5.592 -20.101 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.233 6.749 -20.220 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.871 7.710 -19.632 1.00 0.00 H new ATOM 289 N GLU A 19 -2.723 5.406 -17.127 1.00 0.00 N ATOM 290 CA GLU A 19 -1.275 5.248 -16.897 1.00 0.00 C ATOM 291 C GLU A 19 -0.966 3.825 -16.441 1.00 0.00 C ATOM 292 O GLU A 19 -0.026 3.191 -16.922 1.00 0.00 O ATOM 293 CB GLU A 19 -0.757 6.216 -15.818 1.00 0.00 C ATOM 294 CG GLU A 19 -1.385 7.596 -16.002 1.00 0.00 C ATOM 295 CD GLU A 19 -0.440 8.675 -15.483 1.00 0.00 C ATOM 296 OE1 GLU A 19 0.505 8.997 -16.184 1.00 0.00 O ATOM 297 OE2 GLU A 19 -0.682 9.171 -14.395 1.00 0.00 O ATOM 0 H GLU A 19 -3.155 6.169 -16.606 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.779 5.468 -17.842 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.995 5.829 -14.827 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.329 6.292 -15.878 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.602 7.768 -17.056 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.335 7.646 -15.469 1.00 0.00 H new ATOM 304 N PHE A 20 -1.773 3.342 -15.495 1.00 0.00 N ATOM 305 CA PHE A 20 -1.595 1.998 -14.951 1.00 0.00 C ATOM 306 C PHE A 20 -2.369 0.961 -15.764 1.00 0.00 C ATOM 307 O PHE A 20 -1.845 -0.105 -16.077 1.00 0.00 O ATOM 308 CB PHE A 20 -2.087 1.953 -13.508 1.00 0.00 C ATOM 309 CG PHE A 20 -1.053 2.565 -12.596 1.00 0.00 C ATOM 310 CD1 PHE A 20 -0.022 1.771 -12.078 1.00 0.00 C ATOM 311 CD2 PHE A 20 -1.133 3.922 -12.256 1.00 0.00 C ATOM 312 CE1 PHE A 20 0.929 2.331 -11.222 1.00 0.00 C ATOM 313 CE2 PHE A 20 -0.181 4.480 -11.394 1.00 0.00 C ATOM 314 CZ PHE A 20 0.848 3.685 -10.876 1.00 0.00 C ATOM 0 H PHE A 20 -2.553 3.861 -15.092 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.532 1.761 -14.998 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.029 2.493 -13.419 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.281 0.922 -13.212 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.038 0.725 -12.341 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.926 4.535 -12.657 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.727 1.719 -10.827 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.241 5.525 -11.128 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.580 4.116 -10.209 1.00 0.00 H new ATOM 324 N LYS A 21 -3.627 1.284 -16.085 1.00 0.00 N ATOM 325 CA LYS A 21 -4.489 0.372 -16.848 1.00 0.00 C ATOM 326 C LYS A 21 -3.805 -0.109 -18.132 1.00 0.00 C ATOM 327 O LYS A 21 -4.019 -1.240 -18.559 1.00 0.00 O ATOM 328 CB LYS A 21 -5.815 1.059 -17.200 1.00 0.00 C ATOM 329 CG LYS A 21 -6.757 0.064 -17.888 1.00 0.00 C ATOM 330 CD LYS A 21 -6.732 0.295 -19.401 1.00 0.00 C ATOM 331 CE LYS A 21 -8.113 -0.008 -19.992 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.955 1.223 -19.954 1.00 0.00 N ATOM 0 H LYS A 21 -4.070 2.167 -15.830 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.683 -0.496 -16.218 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.283 1.449 -16.296 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.630 1.910 -17.856 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.452 -0.958 -17.661 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.771 0.186 -17.508 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.452 1.326 -19.617 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.980 -0.343 -19.864 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.011 -0.359 -21.019 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.594 -0.807 -19.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.892 1.015 -20.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.063 1.540 -18.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.498 1.973 -20.511 1.00 0.00 H new ATOM 346 N ALA A 22 -2.977 0.750 -18.737 1.00 0.00 N ATOM 347 CA ALA A 22 -2.268 0.374 -19.966 1.00 0.00 C ATOM 348 C ALA A 22 -1.381 -0.844 -19.712 1.00 0.00 C ATOM 349 O ALA A 22 -1.513 -1.874 -20.376 1.00 0.00 O ATOM 350 CB ALA A 22 -1.396 1.530 -20.462 1.00 0.00 C ATOM 0 H ALA A 22 -2.783 1.694 -18.403 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.013 0.135 -20.725 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.879 1.231 -21.374 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.024 2.397 -20.669 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.663 1.787 -19.697 1.00 0.00 H new ATOM 356 N ALA A 23 -0.490 -0.717 -18.724 1.00 0.00 N ATOM 357 CA ALA A 23 0.409 -1.811 -18.356 1.00 0.00 C ATOM 358 C ALA A 23 -0.395 -2.972 -17.770 1.00 0.00 C ATOM 359 O ALA A 23 -0.094 -4.140 -18.004 1.00 0.00 O ATOM 360 CB ALA A 23 1.430 -1.338 -17.315 1.00 0.00 C ATOM 0 H ALA A 23 -0.373 0.130 -18.167 1.00 0.00 H new ATOM 0 HA ALA A 23 0.934 -2.140 -19.253 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.091 -2.164 -17.052 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.019 -0.519 -17.729 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.907 -0.994 -16.423 1.00 0.00 H new ATOM 366 N PHE A 24 -1.428 -2.625 -17.006 1.00 0.00 N ATOM 367 CA PHE A 24 -2.289 -3.622 -16.377 1.00 0.00 C ATOM 368 C PHE A 24 -2.994 -4.494 -17.425 1.00 0.00 C ATOM 369 O PHE A 24 -3.067 -5.710 -17.278 1.00 0.00 O ATOM 370 CB PHE A 24 -3.346 -2.919 -15.513 1.00 0.00 C ATOM 371 CG PHE A 24 -3.917 -3.881 -14.499 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.892 -4.805 -14.885 1.00 0.00 C ATOM 373 CD2 PHE A 24 -3.475 -3.845 -13.172 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.425 -5.692 -13.946 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.007 -4.731 -12.234 1.00 0.00 C ATOM 376 CZ PHE A 24 -4.982 -5.655 -12.620 1.00 0.00 C ATOM 0 H PHE A 24 -1.689 -1.659 -16.808 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.663 -4.265 -15.758 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.900 -2.065 -15.003 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.144 -2.531 -16.146 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.234 -4.833 -15.909 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.722 -3.131 -12.873 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.179 -6.406 -14.244 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.665 -4.703 -11.210 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.393 -6.341 -11.894 1.00 0.00 H new ATOM 386 N ASP A 25 -3.527 -3.851 -18.471 1.00 0.00 N ATOM 387 CA ASP A 25 -4.254 -4.570 -19.530 1.00 0.00 C ATOM 388 C ASP A 25 -3.346 -5.498 -20.347 1.00 0.00 C ATOM 389 O ASP A 25 -3.777 -6.571 -20.771 1.00 0.00 O ATOM 390 CB ASP A 25 -4.922 -3.575 -20.488 1.00 0.00 C ATOM 391 CG ASP A 25 -6.382 -3.962 -20.697 1.00 0.00 C ATOM 392 OD1 ASP A 25 -6.639 -4.781 -21.564 1.00 0.00 O ATOM 393 OD2 ASP A 25 -7.222 -3.431 -19.987 1.00 0.00 O ATOM 0 H ASP A 25 -3.471 -2.842 -18.609 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.002 -5.182 -19.027 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.858 -2.566 -20.082 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.398 -3.568 -21.444 1.00 0.00 H new ATOM 398 N ILE A 26 -2.103 -5.073 -20.587 1.00 0.00 N ATOM 399 CA ILE A 26 -1.167 -5.885 -21.383 1.00 0.00 C ATOM 400 C ILE A 26 -0.638 -7.083 -20.587 1.00 0.00 C ATOM 401 O ILE A 26 -0.418 -8.158 -21.148 1.00 0.00 O ATOM 402 CB ILE A 26 0.019 -5.039 -21.880 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.725 -4.367 -20.694 1.00 0.00 C ATOM 404 CG2 ILE A 26 -0.495 -3.964 -22.842 1.00 0.00 C ATOM 405 CD1 ILE A 26 2.034 -3.722 -21.157 1.00 0.00 C ATOM 0 H ILE A 26 -1.722 -4.189 -20.251 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.726 -6.257 -22.241 1.00 0.00 H new ATOM 0 HB ILE A 26 0.729 -5.687 -22.393 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.074 -3.611 -20.254 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.929 -5.104 -19.917 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.342 -3.363 -23.196 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.985 -4.440 -23.691 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.209 -3.323 -22.324 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.526 -3.248 -20.308 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.688 -4.487 -21.576 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.820 -2.971 -21.918 1.00 0.00 H new ATOM 417 N PHE A 27 -0.429 -6.890 -19.281 1.00 0.00 N ATOM 418 CA PHE A 27 0.085 -7.972 -18.432 1.00 0.00 C ATOM 419 C PHE A 27 -1.025 -8.961 -18.058 1.00 0.00 C ATOM 420 O PHE A 27 -0.777 -10.164 -17.958 1.00 0.00 O ATOM 421 CB PHE A 27 0.734 -7.404 -17.161 1.00 0.00 C ATOM 422 CG PHE A 27 1.949 -6.583 -17.545 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.869 -7.081 -18.479 1.00 0.00 C ATOM 424 CD2 PHE A 27 2.150 -5.317 -16.978 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.981 -6.315 -18.847 1.00 0.00 C ATOM 426 CE2 PHE A 27 3.265 -4.553 -17.348 1.00 0.00 C ATOM 427 CZ PHE A 27 4.178 -5.052 -18.282 1.00 0.00 C ATOM 0 H PHE A 27 -0.604 -6.011 -18.794 1.00 0.00 H new ATOM 0 HA PHE A 27 0.842 -8.508 -19.005 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.019 -6.785 -16.619 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.025 -8.215 -16.493 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.719 -8.058 -18.915 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.446 -4.930 -16.256 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.687 -6.700 -19.568 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.419 -3.577 -16.911 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.036 -4.461 -18.567 1.00 0.00 H new ATOM 437 N ILE A 28 -2.252 -8.455 -17.872 1.00 0.00 N ATOM 438 CA ILE A 28 -3.384 -9.332 -17.534 1.00 0.00 C ATOM 439 C ILE A 28 -4.191 -9.708 -18.789 1.00 0.00 C ATOM 440 O ILE A 28 -5.240 -10.347 -18.687 1.00 0.00 O ATOM 441 CB ILE A 28 -4.327 -8.669 -16.510 1.00 0.00 C ATOM 442 CG1 ILE A 28 -5.138 -7.550 -17.181 1.00 0.00 C ATOM 443 CG2 ILE A 28 -3.515 -8.087 -15.350 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.540 -8.062 -17.514 1.00 0.00 C ATOM 0 H ILE A 28 -2.485 -7.465 -17.947 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.961 -10.235 -17.094 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.012 -9.426 -16.127 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.203 -6.687 -16.519 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.636 -7.218 -18.090 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.189 -7.621 -14.632 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.958 -8.885 -14.859 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.819 -7.340 -15.732 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.114 -7.267 -17.990 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.465 -8.912 -18.192 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.041 -8.373 -16.597 1.00 0.00 H new ATOM 456 N GLN A 29 -3.691 -9.310 -19.970 1.00 0.00 N ATOM 457 CA GLN A 29 -4.369 -9.611 -21.239 1.00 0.00 C ATOM 458 C GLN A 29 -4.749 -11.093 -21.327 1.00 0.00 C ATOM 459 O GLN A 29 -5.830 -11.442 -21.807 1.00 0.00 O ATOM 460 CB GLN A 29 -3.450 -9.259 -22.416 1.00 0.00 C ATOM 461 CG GLN A 29 -4.117 -9.647 -23.738 1.00 0.00 C ATOM 462 CD GLN A 29 -3.338 -9.040 -24.901 1.00 0.00 C ATOM 463 OE1 GLN A 29 -2.614 -9.744 -25.606 1.00 0.00 O ATOM 464 NE2 GLN A 29 -3.443 -7.761 -25.148 1.00 0.00 N ATOM 0 H GLN A 29 -2.824 -8.782 -20.071 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.280 -9.014 -21.282 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.231 -8.191 -22.410 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.498 -9.780 -22.313 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.150 -10.732 -23.836 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.148 -9.294 -23.754 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.042 -7.177 -24.565 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.926 -7.347 -25.924 1.00 0.00 H new ATOM 473 N ASP A 30 -3.845 -11.954 -20.857 1.00 0.00 N ATOM 474 CA ASP A 30 -4.079 -13.402 -20.882 1.00 0.00 C ATOM 475 C ASP A 30 -4.353 -13.953 -19.474 1.00 0.00 C ATOM 476 O ASP A 30 -4.209 -15.154 -19.230 1.00 0.00 O ATOM 477 CB ASP A 30 -2.864 -14.128 -21.481 1.00 0.00 C ATOM 478 CG ASP A 30 -1.601 -13.782 -20.690 1.00 0.00 C ATOM 479 OD1 ASP A 30 -0.995 -12.766 -20.990 1.00 0.00 O ATOM 480 OD2 ASP A 30 -1.258 -14.540 -19.796 1.00 0.00 O ATOM 0 H ASP A 30 -2.949 -11.678 -20.456 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.958 -13.580 -21.501 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.029 -15.205 -21.464 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.738 -13.842 -22.525 1.00 0.00 H new ATOM 485 N ALA A 31 -4.755 -13.071 -18.552 1.00 0.00 N ATOM 486 CA ALA A 31 -5.046 -13.488 -17.184 1.00 0.00 C ATOM 487 C ALA A 31 -6.547 -13.667 -16.987 1.00 0.00 C ATOM 488 O ALA A 31 -7.360 -12.986 -17.617 1.00 0.00 O ATOM 489 CB ALA A 31 -4.539 -12.453 -16.178 1.00 0.00 C ATOM 0 H ALA A 31 -4.884 -12.075 -18.729 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.536 -14.437 -17.015 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.768 -12.787 -15.166 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.461 -12.338 -16.287 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.027 -11.496 -16.363 1.00 0.00 H new ATOM 495 N GLU A 32 -6.896 -14.590 -16.096 1.00 0.00 N ATOM 496 CA GLU A 32 -8.299 -14.870 -15.793 1.00 0.00 C ATOM 497 C GLU A 32 -8.584 -14.572 -14.318 1.00 0.00 C ATOM 498 O GLU A 32 -9.229 -15.360 -13.619 1.00 0.00 O ATOM 499 CB GLU A 32 -8.627 -16.338 -16.095 1.00 0.00 C ATOM 500 CG GLU A 32 -8.390 -16.625 -17.583 1.00 0.00 C ATOM 501 CD GLU A 32 -8.975 -17.990 -17.938 1.00 0.00 C ATOM 502 OE1 GLU A 32 -8.252 -18.968 -17.831 1.00 0.00 O ATOM 503 OE2 GLU A 32 -10.135 -18.036 -18.313 1.00 0.00 O ATOM 0 H GLU A 32 -6.230 -15.157 -15.571 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.924 -14.232 -16.418 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.005 -16.993 -15.485 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.664 -16.550 -15.834 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.854 -15.849 -18.192 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.322 -16.607 -17.802 1.00 0.00 H new ATOM 510 N ASP A 33 -8.080 -13.423 -13.852 1.00 0.00 N ATOM 511 CA ASP A 33 -8.267 -13.020 -12.456 1.00 0.00 C ATOM 512 C ASP A 33 -8.516 -11.515 -12.348 1.00 0.00 C ATOM 513 O ASP A 33 -9.492 -11.080 -11.733 1.00 0.00 O ATOM 514 CB ASP A 33 -7.029 -13.378 -11.625 1.00 0.00 C ATOM 515 CG ASP A 33 -6.910 -14.895 -11.500 1.00 0.00 C ATOM 516 OD1 ASP A 33 -7.511 -15.444 -10.592 1.00 0.00 O ATOM 517 OD2 ASP A 33 -6.218 -15.485 -12.313 1.00 0.00 O ATOM 0 H ASP A 33 -7.545 -12.763 -14.416 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.136 -13.555 -12.073 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.134 -12.972 -12.096 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.101 -12.927 -10.635 1.00 0.00 H new ATOM 522 N GLY A 34 -7.617 -10.728 -12.944 1.00 0.00 N ATOM 523 CA GLY A 34 -7.732 -9.269 -12.905 1.00 0.00 C ATOM 524 C GLY A 34 -6.674 -8.675 -11.978 1.00 0.00 C ATOM 525 O GLY A 34 -6.965 -7.799 -11.161 1.00 0.00 O ATOM 0 H GLY A 34 -6.806 -11.074 -13.456 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.614 -8.862 -13.909 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.727 -8.986 -12.561 1.00 0.00 H new ATOM 529 N CYS A 35 -5.441 -9.173 -12.116 1.00 0.00 N ATOM 530 CA CYS A 35 -4.323 -8.703 -11.294 1.00 0.00 C ATOM 531 C CYS A 35 -2.991 -9.023 -11.973 1.00 0.00 C ATOM 532 O CYS A 35 -2.859 -10.040 -12.658 1.00 0.00 O ATOM 533 CB CYS A 35 -4.351 -9.363 -9.910 1.00 0.00 C ATOM 534 SG CYS A 35 -4.419 -11.165 -10.088 1.00 0.00 S ATOM 0 H CYS A 35 -5.193 -9.900 -12.788 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.424 -7.624 -11.179 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.465 -9.078 -9.343 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.216 -9.011 -9.347 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.811 -11.516 -11.182 1.00 0.00 H new ATOM 540 N ILE A 36 -2.003 -8.147 -11.771 1.00 0.00 N ATOM 541 CA ILE A 36 -0.682 -8.353 -12.367 1.00 0.00 C ATOM 542 C ILE A 36 0.246 -9.035 -11.361 1.00 0.00 C ATOM 543 O ILE A 36 -0.117 -9.236 -10.200 1.00 0.00 O ATOM 544 CB ILE A 36 -0.058 -7.019 -12.823 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.387 -6.196 -11.603 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.083 -6.217 -13.632 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.916 -6.214 -11.504 1.00 0.00 C ATOM 0 H ILE A 36 -2.091 -7.301 -11.208 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.806 -8.990 -13.242 1.00 0.00 H new ATOM 0 HB ILE A 36 0.811 -7.233 -13.445 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.030 -5.170 -11.693 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.052 -6.607 -10.694 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.637 -5.275 -13.952 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.385 -6.791 -14.508 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.956 -6.013 -13.013 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.231 -5.631 -10.639 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.261 -7.242 -11.394 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.344 -5.782 -12.409 1.00 0.00 H new ATOM 559 N SER A 37 1.448 -9.382 -11.816 1.00 0.00 N ATOM 560 CA SER A 37 2.419 -10.035 -10.944 1.00 0.00 C ATOM 561 C SER A 37 3.270 -8.984 -10.235 1.00 0.00 C ATOM 562 O SER A 37 4.084 -8.304 -10.863 1.00 0.00 O ATOM 563 CB SER A 37 3.329 -10.965 -11.752 1.00 0.00 C ATOM 564 OG SER A 37 3.556 -12.158 -11.014 1.00 0.00 O ATOM 0 H SER A 37 1.769 -9.224 -12.771 1.00 0.00 H new ATOM 0 HA SER A 37 1.876 -10.625 -10.206 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.868 -11.200 -12.712 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.276 -10.470 -11.966 1.00 0.00 H new ATOM 0 HG SER A 37 4.137 -12.756 -11.529 1.00 0.00 H new ATOM 570 N THR A 38 3.067 -8.853 -8.920 1.00 0.00 N ATOM 571 CA THR A 38 3.821 -7.873 -8.129 1.00 0.00 C ATOM 572 C THR A 38 5.328 -8.107 -8.267 1.00 0.00 C ATOM 573 O THR A 38 6.098 -7.155 -8.396 1.00 0.00 O ATOM 574 CB THR A 38 3.421 -7.927 -6.642 1.00 0.00 C ATOM 575 OG1 THR A 38 4.218 -7.009 -5.904 1.00 0.00 O ATOM 576 CG2 THR A 38 3.617 -9.338 -6.080 1.00 0.00 C ATOM 0 H THR A 38 2.396 -9.405 -8.386 1.00 0.00 H new ATOM 0 HA THR A 38 3.577 -6.884 -8.517 1.00 0.00 H new ATOM 0 HB THR A 38 2.368 -7.659 -6.554 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.869 -7.503 -5.362 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.329 -9.354 -5.029 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.997 -10.041 -6.637 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.664 -9.625 -6.173 1.00 0.00 H new ATOM 584 N LYS A 39 5.739 -9.379 -8.253 1.00 0.00 N ATOM 585 CA LYS A 39 7.159 -9.715 -8.394 1.00 0.00 C ATOM 586 C LYS A 39 7.676 -9.314 -9.782 1.00 0.00 C ATOM 587 O LYS A 39 8.871 -9.075 -9.961 1.00 0.00 O ATOM 588 CB LYS A 39 7.401 -11.216 -8.169 1.00 0.00 C ATOM 589 CG LYS A 39 6.484 -12.052 -9.071 1.00 0.00 C ATOM 590 CD LYS A 39 5.469 -12.809 -8.207 1.00 0.00 C ATOM 591 CE LYS A 39 5.065 -14.112 -8.904 1.00 0.00 C ATOM 592 NZ LYS A 39 5.415 -15.274 -8.037 1.00 0.00 N ATOM 0 H LYS A 39 5.119 -10.182 -8.147 1.00 0.00 H new ATOM 0 HA LYS A 39 7.704 -9.156 -7.633 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.443 -11.457 -8.378 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.219 -11.467 -7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.965 -11.406 -9.779 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.076 -12.756 -9.657 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.900 -13.027 -7.230 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.589 -12.189 -8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.995 -14.109 -9.110 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.574 -14.196 -9.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.140 -16.157 -8.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.440 -15.280 -7.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.909 -15.196 -7.131 1.00 0.00 H new ATOM 606 N GLU A 40 6.758 -9.224 -10.756 1.00 0.00 N ATOM 607 CA GLU A 40 7.127 -8.828 -12.116 1.00 0.00 C ATOM 608 C GLU A 40 6.598 -7.421 -12.421 1.00 0.00 C ATOM 609 O GLU A 40 6.323 -7.084 -13.577 1.00 0.00 O ATOM 610 CB GLU A 40 6.553 -9.816 -13.143 1.00 0.00 C ATOM 611 CG GLU A 40 6.940 -11.253 -12.770 1.00 0.00 C ATOM 612 CD GLU A 40 8.458 -11.415 -12.824 1.00 0.00 C ATOM 613 OE1 GLU A 40 8.994 -11.451 -13.919 1.00 0.00 O ATOM 614 OE2 GLU A 40 9.062 -11.501 -11.767 1.00 0.00 O ATOM 0 H GLU A 40 5.765 -9.419 -10.626 1.00 0.00 H new ATOM 0 HA GLU A 40 8.215 -8.832 -12.185 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.468 -9.722 -13.181 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.929 -9.577 -14.138 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.576 -11.489 -11.770 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.466 -11.956 -13.455 1.00 0.00 H new ATOM 621 N LEU A 41 6.458 -6.599 -11.370 1.00 0.00 N ATOM 622 CA LEU A 41 5.963 -5.231 -11.536 1.00 0.00 C ATOM 623 C LEU A 41 6.982 -4.352 -12.265 1.00 0.00 C ATOM 624 O LEU A 41 6.629 -3.296 -12.786 1.00 0.00 O ATOM 625 CB LEU A 41 5.636 -4.599 -10.182 1.00 0.00 C ATOM 626 CG LEU A 41 4.648 -3.431 -10.245 1.00 0.00 C ATOM 627 CD1 LEU A 41 3.608 -3.574 -9.133 1.00 0.00 C ATOM 628 CD2 LEU A 41 5.406 -2.112 -10.076 1.00 0.00 C ATOM 0 H LEU A 41 6.679 -6.857 -10.408 1.00 0.00 H new ATOM 0 HA LEU A 41 5.055 -5.292 -12.136 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.228 -5.368 -9.526 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.562 -4.250 -9.726 1.00 0.00 H new ATOM 0 HG LEU A 41 4.142 -3.437 -11.210 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.907 -2.741 -9.181 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.067 -4.512 -9.259 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.108 -3.572 -8.165 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.703 -1.280 -10.121 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.915 -2.106 -9.112 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.141 -2.010 -10.875 1.00 0.00 H new ATOM 640 N GLY A 42 8.246 -4.798 -12.314 1.00 0.00 N ATOM 641 CA GLY A 42 9.289 -4.036 -13.006 1.00 0.00 C ATOM 642 C GLY A 42 8.888 -3.776 -14.463 1.00 0.00 C ATOM 643 O GLY A 42 9.266 -2.761 -15.050 1.00 0.00 O ATOM 0 H GLY A 42 8.565 -5.669 -11.889 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.455 -3.088 -12.494 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.230 -4.585 -12.974 1.00 0.00 H new ATOM 647 N LYS A 43 8.106 -4.706 -15.029 1.00 0.00 N ATOM 648 CA LYS A 43 7.636 -4.581 -16.412 1.00 0.00 C ATOM 649 C LYS A 43 6.617 -3.441 -16.552 1.00 0.00 C ATOM 650 O LYS A 43 6.429 -2.900 -17.642 1.00 0.00 O ATOM 651 CB LYS A 43 6.978 -5.886 -16.878 1.00 0.00 C ATOM 652 CG LYS A 43 7.963 -7.050 -16.735 1.00 0.00 C ATOM 653 CD LYS A 43 7.305 -8.340 -17.234 1.00 0.00 C ATOM 654 CE LYS A 43 7.675 -8.572 -18.702 1.00 0.00 C ATOM 655 NZ LYS A 43 8.954 -9.336 -18.783 1.00 0.00 N ATOM 0 H LYS A 43 7.788 -5.549 -14.551 1.00 0.00 H new ATOM 0 HA LYS A 43 8.507 -4.363 -17.030 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.083 -6.082 -16.288 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.661 -5.792 -17.917 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.869 -6.846 -17.307 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.262 -7.161 -15.693 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.633 -9.185 -16.628 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.222 -8.272 -17.128 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.879 -9.121 -19.205 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.778 -7.617 -19.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.203 -9.492 -19.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.711 -8.796 -18.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.841 -10.254 -18.307 1.00 0.00 H new ATOM 669 N VAL A 44 5.967 -3.074 -15.438 1.00 0.00 N ATOM 670 CA VAL A 44 4.984 -1.987 -15.456 1.00 0.00 C ATOM 671 C VAL A 44 5.672 -0.670 -15.103 1.00 0.00 C ATOM 672 O VAL A 44 5.311 0.386 -15.620 1.00 0.00 O ATOM 673 CB VAL A 44 3.797 -2.245 -14.489 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.568 -3.749 -14.286 1.00 0.00 C ATOM 675 CG2 VAL A 44 4.052 -1.590 -13.123 1.00 0.00 C ATOM 0 H VAL A 44 6.103 -3.509 -14.525 1.00 0.00 H new ATOM 0 HA VAL A 44 4.569 -1.934 -16.463 1.00 0.00 H new ATOM 0 HB VAL A 44 2.909 -1.805 -14.942 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.731 -3.901 -13.604 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.344 -4.216 -15.245 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.466 -4.200 -13.864 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.207 -1.784 -12.463 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.959 -2.006 -12.684 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.172 -0.514 -13.252 1.00 0.00 H new ATOM 685 N MET A 45 6.682 -0.748 -14.222 1.00 0.00 N ATOM 686 CA MET A 45 7.429 0.441 -13.821 1.00 0.00 C ATOM 687 C MET A 45 8.051 1.097 -15.052 1.00 0.00 C ATOM 688 O MET A 45 8.012 2.316 -15.200 1.00 0.00 O ATOM 689 CB MET A 45 8.541 0.081 -12.831 1.00 0.00 C ATOM 690 CG MET A 45 7.948 -0.091 -11.430 1.00 0.00 C ATOM 691 SD MET A 45 7.787 1.528 -10.638 1.00 0.00 S ATOM 692 CE MET A 45 7.431 0.930 -8.968 1.00 0.00 C ATOM 0 H MET A 45 6.993 -1.614 -13.782 1.00 0.00 H new ATOM 0 HA MET A 45 6.737 1.131 -13.338 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.035 -0.839 -13.143 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.300 0.863 -12.822 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.973 -0.575 -11.493 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.587 -0.739 -10.830 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.293 1.779 -8.299 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.522 0.328 -8.983 1.00 0.00 H new ATOM 0 HE3 MET A 45 8.263 0.321 -8.614 1.00 0.00 H new ATOM 702 N ARG A 46 8.604 0.265 -15.944 1.00 0.00 N ATOM 703 CA ARG A 46 9.216 0.771 -17.177 1.00 0.00 C ATOM 704 C ARG A 46 8.161 1.447 -18.063 1.00 0.00 C ATOM 705 O ARG A 46 8.451 2.425 -18.756 1.00 0.00 O ATOM 706 CB ARG A 46 9.899 -0.363 -17.957 1.00 0.00 C ATOM 707 CG ARG A 46 8.896 -1.484 -18.255 1.00 0.00 C ATOM 708 CD ARG A 46 9.427 -2.365 -19.388 1.00 0.00 C ATOM 709 NE ARG A 46 10.267 -3.445 -18.864 1.00 0.00 N ATOM 710 CZ ARG A 46 10.538 -4.541 -19.589 1.00 0.00 C ATOM 711 NH1 ARG A 46 10.062 -4.675 -20.805 1.00 0.00 N ATOM 712 NH2 ARG A 46 11.286 -5.486 -19.078 1.00 0.00 N ATOM 0 H ARG A 46 8.640 -0.749 -15.837 1.00 0.00 H new ATOM 0 HA ARG A 46 9.971 1.506 -16.898 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.310 0.024 -18.890 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.735 -0.758 -17.380 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.732 -2.085 -17.361 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.932 -1.058 -18.534 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.592 -2.788 -19.947 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.003 -1.758 -20.086 1.00 0.00 H new ATOM 0 HE ARG A 46 10.655 -3.362 -17.925 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.479 -3.941 -21.208 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.275 -5.513 -21.347 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.659 -5.387 -18.134 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.496 -6.322 -19.624 1.00 0.00 H new ATOM 726 N MET A 47 6.928 0.927 -18.011 1.00 0.00 N ATOM 727 CA MET A 47 5.820 1.491 -18.788 1.00 0.00 C ATOM 728 C MET A 47 5.378 2.830 -18.189 1.00 0.00 C ATOM 729 O MET A 47 4.967 3.742 -18.908 1.00 0.00 O ATOM 730 CB MET A 47 4.624 0.531 -18.788 1.00 0.00 C ATOM 731 CG MET A 47 4.568 -0.245 -20.109 1.00 0.00 C ATOM 732 SD MET A 47 6.068 -1.241 -20.301 1.00 0.00 S ATOM 733 CE MET A 47 6.823 -0.272 -21.631 1.00 0.00 C ATOM 0 H MET A 47 6.674 0.120 -17.441 1.00 0.00 H new ATOM 0 HA MET A 47 6.167 1.643 -19.810 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.706 -0.164 -17.953 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.699 1.091 -18.647 1.00 0.00 H new ATOM 0 HG2 MET A 47 3.689 -0.889 -20.126 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.472 0.448 -20.945 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.358 -0.938 -22.308 1.00 0.00 H new ATOM 0 HE2 MET A 47 6.046 0.257 -22.182 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.520 0.449 -21.205 1.00 0.00 H new ATOM 743 N LEU A 48 5.474 2.932 -16.857 1.00 0.00 N ATOM 744 CA LEU A 48 5.092 4.153 -16.145 1.00 0.00 C ATOM 745 C LEU A 48 6.165 5.237 -16.311 1.00 0.00 C ATOM 746 O LEU A 48 5.861 6.431 -16.308 1.00 0.00 O ATOM 747 CB LEU A 48 4.913 3.856 -14.650 1.00 0.00 C ATOM 748 CG LEU A 48 3.508 3.401 -14.217 1.00 0.00 C ATOM 749 CD1 LEU A 48 2.895 2.476 -15.276 1.00 0.00 C ATOM 750 CD2 LEU A 48 3.610 2.647 -12.887 1.00 0.00 C ATOM 0 H LEU A 48 5.813 2.183 -16.253 1.00 0.00 H new ATOM 0 HA LEU A 48 4.153 4.510 -16.568 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.627 3.084 -14.365 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.172 4.753 -14.088 1.00 0.00 H new ATOM 0 HG LEU A 48 2.872 4.279 -14.103 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.902 2.163 -14.955 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.819 3.009 -16.224 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.529 1.598 -15.403 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.617 2.322 -12.576 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.254 1.776 -13.011 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.031 3.305 -12.127 1.00 0.00 H new ATOM 762 N GLY A 49 7.423 4.800 -16.455 1.00 0.00 N ATOM 763 CA GLY A 49 8.546 5.730 -16.623 1.00 0.00 C ATOM 764 C GLY A 49 9.566 5.592 -15.485 1.00 0.00 C ATOM 765 O GLY A 49 10.234 6.562 -15.124 1.00 0.00 O ATOM 0 H GLY A 49 7.687 3.815 -16.459 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.037 5.541 -17.578 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.171 6.753 -16.655 1.00 0.00 H new ATOM 769 N GLN A 50 9.680 4.377 -14.931 1.00 0.00 N ATOM 770 CA GLN A 50 10.621 4.113 -13.837 1.00 0.00 C ATOM 771 C GLN A 50 11.407 2.831 -14.118 1.00 0.00 C ATOM 772 O GLN A 50 11.047 2.049 -15.000 1.00 0.00 O ATOM 773 CB GLN A 50 9.880 3.948 -12.501 1.00 0.00 C ATOM 774 CG GLN A 50 8.847 5.069 -12.316 1.00 0.00 C ATOM 775 CD GLN A 50 9.555 6.402 -12.071 1.00 0.00 C ATOM 776 OE1 GLN A 50 10.523 6.472 -11.311 1.00 0.00 O ATOM 777 NE2 GLN A 50 9.121 7.478 -12.671 1.00 0.00 N ATOM 0 H GLN A 50 9.134 3.566 -15.222 1.00 0.00 H new ATOM 0 HA GLN A 50 11.299 4.964 -13.770 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.382 2.979 -12.472 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.594 3.964 -11.678 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.215 5.141 -13.201 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.193 4.836 -11.476 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.320 7.423 -13.300 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.583 8.373 -12.510 1.00 0.00 H new ATOM 786 N ASN A 51 12.483 2.616 -13.356 1.00 0.00 N ATOM 787 CA ASN A 51 13.305 1.417 -13.539 1.00 0.00 C ATOM 788 C ASN A 51 13.997 1.016 -12.229 1.00 0.00 C ATOM 789 O ASN A 51 15.223 1.087 -12.114 1.00 0.00 O ATOM 790 CB ASN A 51 14.363 1.658 -14.623 1.00 0.00 C ATOM 791 CG ASN A 51 14.719 0.337 -15.306 1.00 0.00 C ATOM 792 OD1 ASN A 51 14.878 -0.692 -14.646 1.00 0.00 O ATOM 793 ND2 ASN A 51 14.860 0.306 -16.604 1.00 0.00 N ATOM 0 H ASN A 51 12.801 3.245 -12.619 1.00 0.00 H new ATOM 0 HA ASN A 51 12.646 0.605 -13.848 1.00 0.00 H new ATOM 0 HB2 ASN A 51 13.987 2.368 -15.359 1.00 0.00 H new ATOM 0 HB3 ASN A 51 15.255 2.101 -14.180 1.00 0.00 H new ATOM 0 HD21 ASN A 51 15.101 -0.569 -17.070 1.00 0.00 H new ATOM 0 HD22 ASN A 51 14.729 1.156 -17.152 1.00 0.00 H new ATOM 800 N PRO A 52 13.219 0.579 -11.230 1.00 0.00 N ATOM 801 CA PRO A 52 13.771 0.151 -9.933 1.00 0.00 C ATOM 802 C PRO A 52 14.215 -1.317 -9.960 1.00 0.00 C ATOM 803 O PRO A 52 14.429 -1.891 -11.029 1.00 0.00 O ATOM 804 CB PRO A 52 12.577 0.345 -9.002 1.00 0.00 C ATOM 805 CG PRO A 52 11.323 0.263 -9.863 1.00 0.00 C ATOM 806 CD PRO A 52 11.747 0.483 -11.322 1.00 0.00 C ATOM 0 HA PRO A 52 14.662 0.705 -9.637 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.564 -0.422 -8.227 1.00 0.00 H new ATOM 0 HB3 PRO A 52 12.635 1.309 -8.496 1.00 0.00 H new ATOM 0 HG2 PRO A 52 10.841 -0.708 -9.746 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.598 1.017 -9.557 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.436 -0.343 -11.962 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.309 1.390 -11.737 1.00 0.00 H new ATOM 814 N THR A 53 14.341 -1.914 -8.777 1.00 0.00 N ATOM 815 CA THR A 53 14.744 -3.317 -8.671 1.00 0.00 C ATOM 816 C THR A 53 13.545 -4.153 -8.217 1.00 0.00 C ATOM 817 O THR A 53 12.509 -3.598 -7.839 1.00 0.00 O ATOM 818 CB THR A 53 15.899 -3.469 -7.661 1.00 0.00 C ATOM 819 OG1 THR A 53 15.376 -3.537 -6.341 1.00 0.00 O ATOM 820 CG2 THR A 53 16.845 -2.272 -7.768 1.00 0.00 C ATOM 0 H THR A 53 14.171 -1.453 -7.883 1.00 0.00 H new ATOM 0 HA THR A 53 15.087 -3.665 -9.645 1.00 0.00 H new ATOM 0 HB THR A 53 16.447 -4.385 -7.885 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.028 -3.165 -5.711 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.659 -2.386 -7.052 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.254 -2.221 -8.777 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.297 -1.355 -7.552 1.00 0.00 H new ATOM 828 N PRO A 54 13.662 -5.486 -8.228 1.00 0.00 N ATOM 829 CA PRO A 54 12.558 -6.358 -7.789 1.00 0.00 C ATOM 830 C PRO A 54 12.386 -6.337 -6.269 1.00 0.00 C ATOM 831 O PRO A 54 11.278 -6.504 -5.759 1.00 0.00 O ATOM 832 CB PRO A 54 12.986 -7.727 -8.304 1.00 0.00 C ATOM 833 CG PRO A 54 14.496 -7.680 -8.482 1.00 0.00 C ATOM 834 CD PRO A 54 14.883 -6.207 -8.657 1.00 0.00 C ATOM 0 HA PRO A 54 11.585 -6.047 -8.169 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.704 -8.510 -7.600 1.00 0.00 H new ATOM 0 HB3 PRO A 54 12.493 -7.956 -9.249 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.000 -8.110 -7.616 1.00 0.00 H new ATOM 0 HG3 PRO A 54 14.800 -8.264 -9.351 1.00 0.00 H new ATOM 0 HD2 PRO A 54 15.744 -5.941 -8.044 1.00 0.00 H new ATOM 0 HD3 PRO A 54 15.144 -5.979 -9.690 1.00 0.00 H new ATOM 842 N GLU A 55 13.494 -6.097 -5.555 1.00 0.00 N ATOM 843 CA GLU A 55 13.446 -6.017 -4.094 1.00 0.00 C ATOM 844 C GLU A 55 12.970 -4.625 -3.654 1.00 0.00 C ATOM 845 O GLU A 55 12.342 -4.479 -2.603 1.00 0.00 O ATOM 846 CB GLU A 55 14.819 -6.319 -3.471 1.00 0.00 C ATOM 847 CG GLU A 55 15.869 -5.322 -3.977 1.00 0.00 C ATOM 848 CD GLU A 55 17.189 -5.553 -3.247 1.00 0.00 C ATOM 849 OE1 GLU A 55 17.976 -6.353 -3.727 1.00 0.00 O ATOM 850 OE2 GLU A 55 17.393 -4.926 -2.221 1.00 0.00 O ATOM 0 H GLU A 55 14.420 -5.957 -5.960 1.00 0.00 H new ATOM 0 HA GLU A 55 12.740 -6.769 -3.743 1.00 0.00 H new ATOM 0 HB2 GLU A 55 14.752 -6.265 -2.384 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.123 -7.335 -3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.010 -5.441 -5.051 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.525 -4.301 -3.812 1.00 0.00 H new ATOM 857 N GLU A 56 13.270 -3.604 -4.477 1.00 0.00 N ATOM 858 CA GLU A 56 12.863 -2.231 -4.168 1.00 0.00 C ATOM 859 C GLU A 56 11.353 -2.075 -4.346 1.00 0.00 C ATOM 860 O GLU A 56 10.655 -1.622 -3.436 1.00 0.00 O ATOM 861 CB GLU A 56 13.581 -1.235 -5.088 1.00 0.00 C ATOM 862 CG GLU A 56 13.645 0.139 -4.413 1.00 0.00 C ATOM 863 CD GLU A 56 14.887 0.217 -3.528 1.00 0.00 C ATOM 864 OE1 GLU A 56 15.940 0.549 -4.048 1.00 0.00 O ATOM 865 OE2 GLU A 56 14.767 -0.055 -2.346 1.00 0.00 O ATOM 0 H GLU A 56 13.787 -3.706 -5.350 1.00 0.00 H new ATOM 0 HA GLU A 56 13.133 -2.023 -3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.588 -1.590 -5.308 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.054 -1.159 -6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.674 0.925 -5.167 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.749 0.304 -3.815 1.00 0.00 H new ATOM 872 N LEU A 57 10.858 -2.461 -5.529 1.00 0.00 N ATOM 873 CA LEU A 57 9.427 -2.368 -5.821 1.00 0.00 C ATOM 874 C LEU A 57 8.613 -3.239 -4.859 1.00 0.00 C ATOM 875 O LEU A 57 7.485 -2.894 -4.508 1.00 0.00 O ATOM 876 CB LEU A 57 9.144 -2.806 -7.266 1.00 0.00 C ATOM 877 CG LEU A 57 9.335 -4.301 -7.559 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.039 -5.062 -7.259 1.00 0.00 C ATOM 879 CD2 LEU A 57 9.701 -4.487 -9.036 1.00 0.00 C ATOM 0 H LEU A 57 11.423 -2.837 -6.291 1.00 0.00 H new ATOM 0 HA LEU A 57 9.129 -1.327 -5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.118 -2.534 -7.514 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.794 -2.238 -7.932 1.00 0.00 H new ATOM 0 HG LEU A 57 10.134 -4.690 -6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.182 -6.122 -7.469 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.776 -4.933 -6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.236 -4.673 -7.885 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.837 -5.548 -9.246 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.900 -4.093 -9.662 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.626 -3.953 -9.252 1.00 0.00 H new ATOM 891 N GLN A 58 9.194 -4.371 -4.438 1.00 0.00 N ATOM 892 CA GLN A 58 8.508 -5.284 -3.519 1.00 0.00 C ATOM 893 C GLN A 58 8.150 -4.584 -2.206 1.00 0.00 C ATOM 894 O GLN A 58 7.077 -4.811 -1.648 1.00 0.00 O ATOM 895 CB GLN A 58 9.381 -6.506 -3.209 1.00 0.00 C ATOM 896 CG GLN A 58 8.985 -7.669 -4.124 1.00 0.00 C ATOM 897 CD GLN A 58 7.726 -8.346 -3.587 1.00 0.00 C ATOM 898 OE1 GLN A 58 6.553 -7.877 -3.921 1.00 0.00 O flip ATOM 899 NE2 GLN A 58 7.806 -9.326 -2.846 1.00 0.00 N flip ATOM 0 H GLN A 58 10.128 -4.673 -4.717 1.00 0.00 H new ATOM 0 HA GLN A 58 7.592 -5.607 -4.013 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.433 -6.259 -3.353 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.261 -6.795 -2.165 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.809 -7.304 -5.136 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.800 -8.391 -4.183 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.721 -9.694 -2.584 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.958 -9.770 -2.494 1.00 0.00 H new ATOM 908 N GLU A 59 9.057 -3.730 -1.719 1.00 0.00 N ATOM 909 CA GLU A 59 8.820 -3.000 -0.466 1.00 0.00 C ATOM 910 C GLU A 59 7.661 -2.011 -0.618 1.00 0.00 C ATOM 911 O GLU A 59 6.889 -1.798 0.320 1.00 0.00 O ATOM 912 CB GLU A 59 10.079 -2.234 -0.038 1.00 0.00 C ATOM 913 CG GLU A 59 11.208 -3.223 0.279 1.00 0.00 C ATOM 914 CD GLU A 59 10.945 -3.895 1.625 1.00 0.00 C ATOM 915 OE1 GLU A 59 11.277 -3.300 2.638 1.00 0.00 O ATOM 916 OE2 GLU A 59 10.420 -4.995 1.623 1.00 0.00 O ATOM 0 H GLU A 59 9.951 -3.528 -2.166 1.00 0.00 H new ATOM 0 HA GLU A 59 8.565 -3.735 0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.390 -1.555 -0.832 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.863 -1.622 0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.276 -3.976 -0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.165 -2.701 0.304 1.00 0.00 H new ATOM 923 N MET A 60 7.547 -1.411 -1.807 1.00 0.00 N ATOM 924 CA MET A 60 6.476 -0.444 -2.071 1.00 0.00 C ATOM 925 C MET A 60 5.141 -1.158 -2.275 1.00 0.00 C ATOM 926 O MET A 60 4.104 -0.711 -1.780 1.00 0.00 O ATOM 927 CB MET A 60 6.787 0.392 -3.318 1.00 0.00 C ATOM 928 CG MET A 60 8.185 1.006 -3.202 1.00 0.00 C ATOM 929 SD MET A 60 8.203 2.234 -1.871 1.00 0.00 S ATOM 930 CE MET A 60 9.626 1.577 -0.967 1.00 0.00 C ATOM 0 H MET A 60 8.175 -1.575 -2.594 1.00 0.00 H new ATOM 0 HA MET A 60 6.409 0.213 -1.204 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.728 -0.233 -4.209 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.043 1.180 -3.432 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.920 0.226 -3.001 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.467 1.474 -4.145 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.828 2.206 -0.100 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.409 0.561 -0.636 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.499 1.567 -1.620 1.00 0.00 H new ATOM 940 N ILE A 61 5.182 -2.270 -3.012 1.00 0.00 N ATOM 941 CA ILE A 61 3.968 -3.046 -3.284 1.00 0.00 C ATOM 942 C ILE A 61 3.453 -3.708 -2.007 1.00 0.00 C ATOM 943 O ILE A 61 2.272 -3.622 -1.697 1.00 0.00 O ATOM 944 CB ILE A 61 4.222 -4.127 -4.342 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.589 -3.476 -5.687 1.00 0.00 C ATOM 946 CG2 ILE A 61 2.956 -4.974 -4.514 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.516 -2.460 -6.094 1.00 0.00 C ATOM 0 H ILE A 61 6.032 -2.651 -3.428 1.00 0.00 H new ATOM 0 HA ILE A 61 3.219 -2.351 -3.662 1.00 0.00 H new ATOM 0 HB ILE A 61 5.049 -4.759 -4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.557 -2.981 -5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.685 -4.242 -6.456 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.132 -5.744 -5.265 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.702 -5.445 -3.565 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.132 -4.336 -4.835 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.787 -2.006 -7.047 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.555 -2.965 -6.193 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.441 -1.685 -5.332 1.00 0.00 H new ATOM 959 N ASP A 62 4.352 -4.368 -1.270 1.00 0.00 N ATOM 960 CA ASP A 62 3.965 -5.036 -0.020 1.00 0.00 C ATOM 961 C ASP A 62 3.209 -4.071 0.901 1.00 0.00 C ATOM 962 O ASP A 62 2.278 -4.469 1.601 1.00 0.00 O ATOM 963 CB ASP A 62 5.203 -5.568 0.714 1.00 0.00 C ATOM 964 CG ASP A 62 4.843 -6.837 1.479 1.00 0.00 C ATOM 965 OD1 ASP A 62 4.888 -7.900 0.880 1.00 0.00 O ATOM 966 OD2 ASP A 62 4.527 -6.729 2.653 1.00 0.00 O ATOM 0 H ASP A 62 5.339 -4.455 -1.511 1.00 0.00 H new ATOM 0 HA ASP A 62 3.312 -5.870 -0.278 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.999 -5.776 -0.001 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.582 -4.812 1.402 1.00 0.00 H new ATOM 971 N GLU A 63 3.620 -2.795 0.881 1.00 0.00 N ATOM 972 CA GLU A 63 2.974 -1.769 1.708 1.00 0.00 C ATOM 973 C GLU A 63 1.553 -1.474 1.211 1.00 0.00 C ATOM 974 O GLU A 63 0.613 -1.403 2.003 1.00 0.00 O ATOM 975 CB GLU A 63 3.784 -0.467 1.676 1.00 0.00 C ATOM 976 CG GLU A 63 4.860 -0.500 2.764 1.00 0.00 C ATOM 977 CD GLU A 63 5.612 0.827 2.778 1.00 0.00 C ATOM 978 OE1 GLU A 63 5.178 1.726 3.482 1.00 0.00 O ATOM 979 OE2 GLU A 63 6.613 0.927 2.087 1.00 0.00 O ATOM 0 H GLU A 63 4.390 -2.452 0.306 1.00 0.00 H new ATOM 0 HA GLU A 63 2.927 -2.153 2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.247 -0.340 0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.124 0.387 1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.403 -0.681 3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.553 -1.321 2.580 1.00 0.00 H new ATOM 986 N VAL A 64 1.414 -1.291 -0.108 1.00 0.00 N ATOM 987 CA VAL A 64 0.103 -0.988 -0.702 1.00 0.00 C ATOM 988 C VAL A 64 -0.797 -2.232 -0.766 1.00 0.00 C ATOM 989 O VAL A 64 -2.023 -2.119 -0.698 1.00 0.00 O ATOM 990 CB VAL A 64 0.268 -0.392 -2.112 1.00 0.00 C ATOM 991 CG1 VAL A 64 0.991 -1.382 -3.028 1.00 0.00 C ATOM 992 CG2 VAL A 64 -1.105 -0.072 -2.705 1.00 0.00 C ATOM 0 H VAL A 64 2.181 -1.346 -0.778 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.379 -0.254 -0.056 1.00 0.00 H new ATOM 0 HB VAL A 64 0.858 0.521 -2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.100 -0.946 -4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.977 -1.603 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.412 -2.303 -3.098 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.981 0.349 -3.703 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.696 -0.986 -2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.618 0.649 -2.068 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.185 -3.414 -0.898 1.00 0.00 N ATOM 1003 CA ASP A 65 -0.948 -4.658 -0.970 1.00 0.00 C ATOM 1004 C ASP A 65 -1.520 -5.002 0.405 1.00 0.00 C ATOM 1005 O ASP A 65 -0.820 -5.523 1.276 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.059 -5.809 -1.462 1.00 0.00 C ATOM 1007 CG ASP A 65 -0.748 -6.534 -2.614 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -0.555 -6.121 -3.748 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -1.457 -7.491 -2.348 1.00 0.00 O ATOM 0 H ASP A 65 0.826 -3.532 -0.956 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.766 -4.519 -1.677 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.906 -5.422 -1.788 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.136 -6.505 -0.646 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.804 -4.683 0.588 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.489 -4.939 1.864 1.00 0.00 C ATOM 1016 C GLU A 66 -3.555 -6.436 2.179 1.00 0.00 C ATOM 1017 O GLU A 66 -3.484 -6.838 3.342 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.918 -4.375 1.842 1.00 0.00 C ATOM 1019 CG GLU A 66 -5.637 -4.778 0.544 1.00 0.00 C ATOM 1020 CD GLU A 66 -7.075 -5.182 0.856 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -7.918 -4.302 0.917 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -7.312 -6.367 1.024 1.00 0.00 O ATOM 0 H GLU A 66 -3.390 -4.249 -0.125 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.908 -4.439 2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.475 -4.745 2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.888 -3.289 1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.628 -3.947 -0.161 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.112 -5.606 0.068 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.694 -7.253 1.134 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.775 -8.706 1.309 1.00 0.00 C ATOM 1031 C ASP A 67 -2.398 -9.357 1.163 1.00 0.00 C ATOM 1032 O ASP A 67 -2.084 -10.323 1.861 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.742 -9.333 0.287 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.540 -8.713 -1.097 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -5.198 -7.723 -1.384 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -3.735 -9.236 -1.849 1.00 0.00 O ATOM 0 H ASP A 67 -3.753 -6.938 0.165 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.150 -8.888 2.316 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.578 -10.409 0.236 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.771 -9.182 0.612 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.589 -8.831 0.239 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.256 -9.381 -0.001 1.00 0.00 C ATOM 1043 C GLY A 68 -0.370 -10.763 -0.639 1.00 0.00 C ATOM 1044 O GLY A 68 0.234 -11.729 -0.169 1.00 0.00 O ATOM 0 H GLY A 68 -1.832 -8.033 -0.349 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.309 -8.715 -0.653 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.293 -9.449 0.938 1.00 0.00 H new ATOM 1048 N SER A 69 -1.171 -10.843 -1.706 1.00 0.00 N ATOM 1049 CA SER A 69 -1.390 -12.113 -2.406 1.00 0.00 C ATOM 1050 C SER A 69 -0.340 -12.365 -3.502 1.00 0.00 C ATOM 1051 O SER A 69 -0.488 -13.291 -4.303 1.00 0.00 O ATOM 1052 CB SER A 69 -2.782 -12.126 -3.049 1.00 0.00 C ATOM 1053 OG SER A 69 -2.912 -11.008 -3.922 1.00 0.00 O ATOM 0 H SER A 69 -1.675 -10.050 -2.102 1.00 0.00 H new ATOM 0 HA SER A 69 -1.303 -12.903 -1.660 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.930 -13.053 -3.603 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.551 -12.090 -2.277 1.00 0.00 H new ATOM 0 HG SER A 69 -3.205 -10.225 -3.410 1.00 0.00 H new ATOM 1059 N GLY A 70 0.714 -11.539 -3.543 1.00 0.00 N ATOM 1060 CA GLY A 70 1.755 -11.696 -4.559 1.00 0.00 C ATOM 1061 C GLY A 70 1.249 -11.232 -5.928 1.00 0.00 C ATOM 1062 O GLY A 70 1.744 -11.674 -6.966 1.00 0.00 O ATOM 0 H GLY A 70 0.865 -10.767 -2.893 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.636 -11.119 -4.277 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.062 -12.740 -4.614 1.00 0.00 H new ATOM 1066 N THR A 71 0.254 -10.335 -5.909 1.00 0.00 N ATOM 1067 CA THR A 71 -0.332 -9.803 -7.141 1.00 0.00 C ATOM 1068 C THR A 71 -0.868 -8.394 -6.897 1.00 0.00 C ATOM 1069 O THR A 71 -1.319 -8.072 -5.795 1.00 0.00 O ATOM 1070 CB THR A 71 -1.492 -10.690 -7.628 1.00 0.00 C ATOM 1071 OG1 THR A 71 -2.597 -10.560 -6.742 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.049 -12.153 -7.671 1.00 0.00 C ATOM 0 H THR A 71 -0.160 -9.964 -5.054 1.00 0.00 H new ATOM 0 HA THR A 71 0.449 -9.784 -7.901 1.00 0.00 H new ATOM 0 HB THR A 71 -1.785 -10.372 -8.629 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.316 -10.792 -5.832 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.876 -12.774 -8.017 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.206 -12.258 -8.354 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.749 -12.472 -6.673 1.00 0.00 H new ATOM 1080 N VAL A 72 -0.827 -7.563 -7.937 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.325 -6.193 -7.821 1.00 0.00 C ATOM 1082 C VAL A 72 -2.596 -6.024 -8.643 1.00 0.00 C ATOM 1083 O VAL A 72 -2.594 -6.200 -9.862 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.290 -5.175 -8.312 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -0.734 -3.763 -7.915 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.073 -5.469 -7.681 1.00 0.00 C ATOM 0 H VAL A 72 -0.460 -7.809 -8.856 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.529 -6.011 -6.766 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.209 -5.246 -9.397 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.002 -3.039 -8.264 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.701 -3.545 -8.368 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.819 -3.700 -6.830 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.803 -4.741 -8.035 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.993 -5.404 -6.596 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.395 -6.472 -7.962 1.00 0.00 H new ATOM 1096 N ASP A 73 -3.675 -5.653 -7.961 1.00 0.00 N ATOM 1097 CA ASP A 73 -4.954 -5.426 -8.627 1.00 0.00 C ATOM 1098 C ASP A 73 -4.997 -3.987 -9.126 1.00 0.00 C ATOM 1099 O ASP A 73 -4.168 -3.170 -8.729 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.119 -5.665 -7.660 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.174 -7.141 -7.275 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -6.832 -7.892 -7.976 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -5.558 -7.500 -6.284 1.00 0.00 O ATOM 0 H ASP A 73 -3.690 -5.504 -6.952 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.051 -6.121 -9.461 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.995 -5.051 -6.768 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.058 -5.366 -8.126 1.00 0.00 H new ATOM 1108 N PHE A 74 -5.956 -3.675 -9.998 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.058 -2.312 -10.524 1.00 0.00 C ATOM 1110 C PHE A 74 -6.230 -1.298 -9.387 1.00 0.00 C ATOM 1111 O PHE A 74 -5.757 -0.165 -9.482 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.220 -2.181 -11.512 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.036 -0.932 -12.338 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -5.792 -0.656 -12.916 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.105 -0.053 -12.526 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.618 0.497 -13.681 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -7.932 1.105 -13.292 1.00 0.00 C ATOM 1118 CZ PHE A 74 -6.688 1.380 -13.870 1.00 0.00 C ATOM 0 H PHE A 74 -6.657 -4.328 -10.348 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.129 -2.099 -11.052 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.261 -3.056 -12.160 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.167 -2.138 -10.974 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.966 -1.336 -12.770 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.065 -0.267 -12.080 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.658 0.709 -14.128 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.758 1.786 -13.437 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.553 2.273 -14.462 1.00 0.00 H new ATOM 1128 N ASP A 75 -6.893 -1.723 -8.303 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.093 -0.845 -7.149 1.00 0.00 C ATOM 1130 C ASP A 75 -5.755 -0.588 -6.451 1.00 0.00 C ATOM 1131 O ASP A 75 -5.434 0.548 -6.103 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.071 -1.474 -6.149 1.00 0.00 C ATOM 1133 CG ASP A 75 -8.679 -0.382 -5.270 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -8.080 -0.064 -4.255 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -9.731 0.119 -5.627 1.00 0.00 O ATOM 0 H ASP A 75 -7.294 -2.656 -8.204 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.510 0.097 -7.506 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -8.859 -2.007 -6.682 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.553 -2.207 -5.530 1.00 0.00 H new ATOM 1140 N GLU A 76 -4.975 -1.663 -6.269 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.658 -1.559 -5.630 1.00 0.00 C ATOM 1142 C GLU A 76 -2.654 -0.881 -6.576 1.00 0.00 C ATOM 1143 O GLU A 76 -1.660 -0.299 -6.134 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.129 -2.953 -5.251 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.168 -3.692 -4.393 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.715 -5.132 -4.133 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.393 -5.820 -5.091 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -3.705 -5.530 -2.979 1.00 0.00 O ATOM 0 H GLU A 76 -5.232 -2.608 -6.554 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.770 -0.958 -4.728 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.914 -3.527 -6.152 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.192 -2.859 -4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.305 -3.170 -3.446 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.133 -3.693 -4.899 1.00 0.00 H new ATOM 1155 N PHE A 77 -2.934 -0.966 -7.884 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.076 -0.372 -8.910 1.00 0.00 C ATOM 1157 C PHE A 77 -2.161 1.157 -8.873 1.00 0.00 C ATOM 1158 O PHE A 77 -1.142 1.845 -8.788 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.527 -0.866 -10.296 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.358 -1.110 -11.227 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.055 -1.316 -10.738 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -1.595 -1.143 -12.605 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.996 -1.547 -11.632 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -0.544 -1.376 -13.494 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.751 -1.577 -13.010 1.00 0.00 C ATOM 0 H PHE A 77 -3.755 -1.445 -8.255 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.046 -0.671 -8.717 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.097 -1.788 -10.183 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.196 -0.130 -10.742 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.133 -1.296 -9.675 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.595 -0.988 -12.983 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.997 -1.702 -11.259 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.732 -1.401 -14.557 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.563 -1.756 -13.699 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.393 1.673 -8.941 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.622 3.122 -8.919 1.00 0.00 C ATOM 1177 C LEU A 78 -3.298 3.711 -7.546 1.00 0.00 C ATOM 1178 O LEU A 78 -2.838 4.849 -7.443 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.081 3.441 -9.270 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.371 3.618 -10.767 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -4.707 2.493 -11.563 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -6.883 3.582 -11.000 1.00 0.00 C ATOM 0 H LEU A 78 -4.242 1.113 -9.011 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.961 3.569 -9.661 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.713 2.640 -8.886 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.372 4.354 -8.750 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.971 4.576 -11.099 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.917 2.625 -12.624 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.630 2.519 -11.400 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.101 1.532 -11.232 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.090 3.708 -12.063 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.280 2.624 -10.663 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.357 4.388 -10.440 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.534 2.922 -6.492 1.00 0.00 N ATOM 1195 CA VAL A 79 -3.254 3.371 -5.126 1.00 0.00 C ATOM 1196 C VAL A 79 -1.754 3.645 -4.966 1.00 0.00 C ATOM 1197 O VAL A 79 -1.355 4.696 -4.470 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.707 2.307 -4.114 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.877 2.408 -2.836 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -5.186 2.521 -3.777 1.00 0.00 C ATOM 0 H VAL A 79 -3.915 1.978 -6.558 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.806 4.291 -4.936 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.567 1.319 -4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.207 1.649 -2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.825 2.250 -3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.006 3.397 -2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.508 1.767 -3.059 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.321 3.513 -3.346 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.782 2.436 -4.685 1.00 0.00 H new ATOM 1210 N MET A 80 -0.938 2.678 -5.393 1.00 0.00 N ATOM 1211 CA MET A 80 0.525 2.798 -5.311 1.00 0.00 C ATOM 1212 C MET A 80 1.018 4.172 -5.796 1.00 0.00 C ATOM 1213 O MET A 80 2.050 4.662 -5.331 1.00 0.00 O ATOM 1214 CB MET A 80 1.195 1.710 -6.161 1.00 0.00 C ATOM 1215 CG MET A 80 2.284 1.013 -5.342 1.00 0.00 C ATOM 1216 SD MET A 80 3.909 1.631 -5.848 1.00 0.00 S ATOM 1217 CE MET A 80 4.053 0.677 -7.380 1.00 0.00 C ATOM 0 H MET A 80 -1.263 1.801 -5.800 1.00 0.00 H new ATOM 0 HA MET A 80 0.795 2.682 -4.261 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.452 0.983 -6.490 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.628 2.151 -7.059 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.128 1.197 -4.279 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.231 -0.066 -5.490 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.891 -0.016 -7.300 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.133 0.116 -7.547 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.222 1.355 -8.216 1.00 0.00 H new ATOM 1227 N MET A 81 0.274 4.795 -6.724 1.00 0.00 N ATOM 1228 CA MET A 81 0.657 6.114 -7.243 1.00 0.00 C ATOM 1229 C MET A 81 0.617 7.150 -6.117 1.00 0.00 C ATOM 1230 O MET A 81 1.620 7.808 -5.830 1.00 0.00 O ATOM 1231 CB MET A 81 -0.287 6.549 -8.374 1.00 0.00 C ATOM 1232 CG MET A 81 0.060 7.969 -8.841 1.00 0.00 C ATOM 1233 SD MET A 81 1.844 8.111 -9.136 1.00 0.00 S ATOM 1234 CE MET A 81 1.938 6.985 -10.548 1.00 0.00 C ATOM 0 H MET A 81 -0.583 4.412 -7.124 1.00 0.00 H new ATOM 0 HA MET A 81 1.670 6.045 -7.639 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.208 5.854 -9.210 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.320 6.515 -8.028 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.487 8.204 -9.754 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.251 8.694 -8.088 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.714 7.325 -11.234 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.178 5.981 -10.198 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.979 6.969 -11.065 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.548 7.271 -5.474 1.00 0.00 N ATOM 1245 CA VAL A 82 -0.706 8.217 -4.363 1.00 0.00 C ATOM 1246 C VAL A 82 0.156 7.783 -3.175 1.00 0.00 C ATOM 1247 O VAL A 82 0.640 8.617 -2.409 1.00 0.00 O ATOM 1248 CB VAL A 82 -2.171 8.314 -3.918 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -3.031 8.811 -5.081 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.677 6.941 -3.466 1.00 0.00 C ATOM 0 H VAL A 82 -1.386 6.734 -5.699 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.384 9.198 -4.714 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.240 9.014 -3.085 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.071 8.879 -4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.683 9.795 -5.396 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.952 8.114 -5.915 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.718 7.022 -3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.601 6.235 -4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.073 6.588 -2.630 1.00 0.00 H new ATOM 1260 N ARG A 83 0.349 6.463 -3.042 1.00 0.00 N ATOM 1261 CA ARG A 83 1.167 5.912 -1.962 1.00 0.00 C ATOM 1262 C ARG A 83 2.582 6.489 -2.031 1.00 0.00 C ATOM 1263 O ARG A 83 3.177 6.824 -1.007 1.00 0.00 O ATOM 1264 CB ARG A 83 1.244 4.382 -2.068 1.00 0.00 C ATOM 1265 CG ARG A 83 -0.065 3.759 -1.571 1.00 0.00 C ATOM 1266 CD ARG A 83 -0.012 3.598 -0.048 1.00 0.00 C ATOM 1267 NE ARG A 83 -0.593 2.319 0.370 1.00 0.00 N ATOM 1268 CZ ARG A 83 -1.919 2.135 0.461 1.00 0.00 C ATOM 1269 NH1 ARG A 83 -2.752 3.096 0.139 1.00 0.00 N ATOM 1270 NH2 ARG A 83 -2.388 0.985 0.874 1.00 0.00 N ATOM 0 H ARG A 83 -0.050 5.763 -3.668 1.00 0.00 H new ATOM 0 HA ARG A 83 0.704 6.182 -1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.427 4.089 -3.102 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.081 4.009 -1.478 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.909 4.390 -1.851 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.221 2.789 -2.044 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.022 3.659 0.291 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.552 4.418 0.426 1.00 0.00 H new ATOM 0 HE ARG A 83 0.030 1.545 0.599 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.394 3.994 -0.185 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.758 2.945 0.212 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.746 0.233 1.125 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.395 0.841 0.945 1.00 0.00 H new