USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 472 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 27 GLN : amide:sc= -1.48 K(o=-2.2,f=-5.7!) USER MOD Set 1.2: A 57 LYS NZ :NH3+ -156:sc= -0.748 (180deg=-1.69!) USER MOD Set 2.1: A 17 GLN : amide:sc= 0.557 K(o=1,f=-1.6) USER MOD Set 2.2: A 18 LYS NZ :NH3+ -166:sc= 0.482 (180deg=-0.125) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.184 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0317 X(o=-0.032,f=0) USER MOD Single : A 25 TYR OH : rot 30:sc= -2.33! USER MOD Single : A 40 CYS SG : rot -1:sc= -6.36! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 18:sc= -8.88! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.608 X(o=-0.61,f=-0.33) USER MOD Single : A 47 THR OG1 : rot 65:sc= 0.0389 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 34:sc= 0.573 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -2.39 K(o=-2.4,f=-8.5!) USER MOD Single : A 66 LYS NZ :NH3+ 149:sc= 0.362 (180deg=-0.0193) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 71 LYS NZ :NH3+ 154:sc= 1.35 (180deg=0.983) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -0.558 -4.084 -7.660 1.00 0.00 N ATOM 67 CA TYR A 8 0.029 -4.195 -6.330 1.00 0.00 C ATOM 68 C TYR A 8 -0.903 -3.609 -5.273 1.00 0.00 C ATOM 69 O TYR A 8 -0.891 -4.031 -4.117 1.00 0.00 O ATOM 70 CB TYR A 8 1.381 -3.482 -6.285 1.00 0.00 C ATOM 71 CG TYR A 8 2.100 -3.464 -7.615 1.00 0.00 C ATOM 72 CD1 TYR A 8 1.806 -2.501 -8.573 1.00 0.00 C ATOM 73 CD2 TYR A 8 3.073 -4.410 -7.915 1.00 0.00 C ATOM 74 CE1 TYR A 8 2.460 -2.481 -9.789 1.00 0.00 C ATOM 75 CE2 TYR A 8 3.733 -4.396 -9.128 1.00 0.00 C ATOM 76 CZ TYR A 8 3.423 -3.430 -10.062 1.00 0.00 C ATOM 77 OH TYR A 8 4.077 -3.414 -11.273 1.00 0.00 O ATOM 0 HA TYR A 8 0.176 -5.253 -6.113 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.230 -2.456 -5.949 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.015 -3.970 -5.545 1.00 0.00 H new ATOM 0 HD1 TYR A 8 1.053 -1.756 -8.363 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.317 -5.169 -7.187 1.00 0.00 H new ATOM 0 HE1 TYR A 8 2.219 -1.726 -10.523 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.488 -5.138 -9.344 1.00 0.00 H new ATOM 0 HH TYR A 8 4.725 -4.149 -11.305 1.00 0.00 H new ATOM 87 N ILE A 9 -1.708 -2.633 -5.680 1.00 0.00 N ATOM 88 CA ILE A 9 -2.648 -1.990 -4.769 1.00 0.00 C ATOM 89 C ILE A 9 -3.171 -2.977 -3.731 1.00 0.00 C ATOM 90 O ILE A 9 -3.267 -2.656 -2.548 1.00 0.00 O ATOM 91 CB ILE A 9 -3.841 -1.381 -5.530 1.00 0.00 C ATOM 92 CG1 ILE A 9 -3.349 -0.590 -6.744 1.00 0.00 C ATOM 93 CG2 ILE A 9 -4.658 -0.490 -4.606 1.00 0.00 C ATOM 94 CD1 ILE A 9 -2.253 0.400 -6.418 1.00 0.00 C ATOM 0 H ILE A 9 -1.728 -2.270 -6.633 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.103 -1.192 -4.265 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.481 -2.190 -5.882 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.985 -1.287 -7.498 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.191 -0.056 -7.184 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.498 -0.067 -5.157 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.034 -1.080 -3.770 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.029 0.316 -4.228 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.954 0.924 -7.326 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.619 1.121 -5.687 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.395 -0.130 -6.006 1.00 0.00 H new ATOM 106 N GLY A 10 -3.507 -4.181 -4.184 1.00 0.00 N ATOM 107 CA GLY A 10 -4.015 -5.198 -3.282 1.00 0.00 C ATOM 108 C GLY A 10 -2.915 -6.076 -2.720 1.00 0.00 C ATOM 109 O GLY A 10 -3.039 -6.610 -1.617 1.00 0.00 O ATOM 0 H GLY A 10 -3.436 -4.470 -5.160 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.548 -4.718 -2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.738 -5.820 -3.810 1.00 0.00 H new ATOM 113 N LEU A 11 -1.836 -6.228 -3.479 1.00 0.00 N ATOM 114 CA LEU A 11 -0.709 -7.050 -3.051 1.00 0.00 C ATOM 115 C LEU A 11 -0.354 -6.771 -1.594 1.00 0.00 C ATOM 116 O LEU A 11 -0.288 -7.687 -0.774 1.00 0.00 O ATOM 117 CB LEU A 11 0.506 -6.789 -3.943 1.00 0.00 C ATOM 118 CG LEU A 11 0.551 -7.565 -5.260 1.00 0.00 C ATOM 119 CD1 LEU A 11 1.712 -7.089 -6.120 1.00 0.00 C ATOM 120 CD2 LEU A 11 0.658 -9.059 -4.995 1.00 0.00 C ATOM 0 H LEU A 11 -1.717 -5.793 -4.394 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.000 -8.097 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.542 -5.724 -4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.406 -7.024 -3.375 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.376 -7.378 -5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.728 -7.652 -7.053 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.592 -6.028 -6.339 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.649 -7.245 -5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.689 -9.595 -5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.569 -9.264 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.207 -9.389 -4.419 1.00 0.00 H new ATOM 132 N VAL A 12 -0.128 -5.500 -1.278 1.00 0.00 N ATOM 133 CA VAL A 12 0.217 -5.100 0.080 1.00 0.00 C ATOM 134 C VAL A 12 -0.801 -5.628 1.084 1.00 0.00 C ATOM 135 O VAL A 12 -0.454 -6.361 2.009 1.00 0.00 O ATOM 136 CB VAL A 12 0.301 -3.567 0.210 1.00 0.00 C ATOM 137 CG1 VAL A 12 0.489 -3.163 1.664 1.00 0.00 C ATOM 138 CG2 VAL A 12 1.428 -3.021 -0.654 1.00 0.00 C ATOM 0 H VAL A 12 -0.178 -4.730 -1.945 1.00 0.00 H new ATOM 0 HA VAL A 12 1.195 -5.530 0.297 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.637 -3.138 -0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.546 -2.077 1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.355 -3.521 2.253 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.411 -3.601 2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.473 -1.937 -0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.375 -3.456 -0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.244 -3.278 -1.697 1.00 0.00 H new ATOM 148 N ASN A 13 -2.062 -5.251 0.895 1.00 0.00 N ATOM 149 CA ASN A 13 -3.132 -5.687 1.784 1.00 0.00 C ATOM 150 C ASN A 13 -2.895 -7.117 2.261 1.00 0.00 C ATOM 151 O ASN A 13 -2.649 -7.356 3.443 1.00 0.00 O ATOM 152 CB ASN A 13 -4.484 -5.592 1.074 1.00 0.00 C ATOM 153 CG ASN A 13 -5.136 -4.234 1.252 1.00 0.00 C ATOM 154 OD1 ASN A 13 -5.872 -4.008 2.212 1.00 0.00 O ATOM 155 ND2 ASN A 13 -4.868 -3.323 0.324 1.00 0.00 N ATOM 0 H ASN A 13 -2.367 -4.644 0.134 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.138 -5.029 2.653 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.348 -5.790 0.011 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.149 -6.365 1.460 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.278 -2.392 0.390 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.252 -3.555 -0.455 1.00 0.00 H new ATOM 162 N SER A 14 -2.970 -8.065 1.332 1.00 0.00 N ATOM 163 CA SER A 14 -2.766 -9.471 1.656 1.00 0.00 C ATOM 164 C SER A 14 -1.357 -9.707 2.191 1.00 0.00 C ATOM 165 O SER A 14 -1.176 -10.252 3.280 1.00 0.00 O ATOM 166 CB SER A 14 -3.008 -10.342 0.422 1.00 0.00 C ATOM 167 OG SER A 14 -2.131 -9.987 -0.632 1.00 0.00 O ATOM 0 H SER A 14 -3.171 -7.884 0.348 1.00 0.00 H new ATOM 0 HA SER A 14 -3.481 -9.746 2.431 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.866 -11.391 0.680 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.041 -10.232 0.092 1.00 0.00 H new ATOM 0 HG SER A 14 -2.304 -10.559 -1.409 1.00 0.00 H new ATOM 173 N PHE A 15 -0.360 -9.293 1.415 1.00 0.00 N ATOM 174 CA PHE A 15 1.034 -9.460 1.808 1.00 0.00 C ATOM 175 C PHE A 15 1.196 -9.308 3.318 1.00 0.00 C ATOM 176 O PHE A 15 1.577 -10.252 4.010 1.00 0.00 O ATOM 177 CB PHE A 15 1.916 -8.439 1.085 1.00 0.00 C ATOM 178 CG PHE A 15 3.382 -8.753 1.161 1.00 0.00 C ATOM 179 CD1 PHE A 15 4.127 -8.386 2.270 1.00 0.00 C ATOM 180 CD2 PHE A 15 4.017 -9.417 0.123 1.00 0.00 C ATOM 181 CE1 PHE A 15 5.477 -8.673 2.342 1.00 0.00 C ATOM 182 CE2 PHE A 15 5.366 -9.707 0.189 1.00 0.00 C ATOM 183 CZ PHE A 15 6.097 -9.336 1.300 1.00 0.00 C ATOM 0 H PHE A 15 -0.492 -8.840 0.511 1.00 0.00 H new ATOM 0 HA PHE A 15 1.346 -10.465 1.526 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.617 -8.390 0.038 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.741 -7.452 1.513 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.647 -7.869 3.088 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.450 -9.711 -0.748 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.047 -8.380 3.211 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.848 -10.223 -0.628 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.151 -9.564 1.355 1.00 0.00 H new ATOM 193 N ALA A 16 0.903 -8.114 3.821 1.00 0.00 N ATOM 194 CA ALA A 16 1.014 -7.838 5.248 1.00 0.00 C ATOM 195 C ALA A 16 0.490 -9.007 6.076 1.00 0.00 C ATOM 196 O ALA A 16 1.250 -9.669 6.782 1.00 0.00 O ATOM 197 CB ALA A 16 0.263 -6.562 5.599 1.00 0.00 C ATOM 0 H ALA A 16 0.587 -7.322 3.262 1.00 0.00 H new ATOM 0 HA ALA A 16 2.069 -7.703 5.485 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.354 -6.368 6.668 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.685 -5.726 5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.790 -6.676 5.340 1.00 0.00 H new ATOM 203 N GLN A 17 -0.813 -9.254 5.983 1.00 0.00 N ATOM 204 CA GLN A 17 -1.438 -10.343 6.725 1.00 0.00 C ATOM 205 C GLN A 17 -0.588 -11.607 6.655 1.00 0.00 C ATOM 206 O GLN A 17 -0.247 -12.196 7.681 1.00 0.00 O ATOM 207 CB GLN A 17 -2.838 -10.624 6.177 1.00 0.00 C ATOM 208 CG GLN A 17 -3.777 -11.246 7.197 1.00 0.00 C ATOM 209 CD GLN A 17 -5.104 -11.663 6.592 1.00 0.00 C ATOM 210 OE1 GLN A 17 -5.161 -12.565 5.756 1.00 0.00 O ATOM 211 NE2 GLN A 17 -6.179 -11.006 7.013 1.00 0.00 N ATOM 0 H GLN A 17 -1.456 -8.716 5.402 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.519 -10.039 7.769 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.272 -9.691 5.817 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.756 -11.290 5.318 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.297 -12.116 7.644 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.957 -10.533 8.002 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.084 -10.265 7.708 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -7.099 -11.242 6.642 1.00 0.00 H new ATOM 220 N LYS A 18 -0.250 -12.020 5.438 1.00 0.00 N ATOM 221 CA LYS A 18 0.560 -13.215 5.233 1.00 0.00 C ATOM 222 C LYS A 18 1.836 -13.156 6.066 1.00 0.00 C ATOM 223 O LYS A 18 2.291 -14.170 6.597 1.00 0.00 O ATOM 224 CB LYS A 18 0.912 -13.368 3.751 1.00 0.00 C ATOM 225 CG LYS A 18 -0.091 -14.199 2.970 1.00 0.00 C ATOM 226 CD LYS A 18 -1.302 -13.375 2.565 1.00 0.00 C ATOM 227 CE LYS A 18 -2.404 -13.452 3.610 1.00 0.00 C ATOM 228 NZ LYS A 18 -3.617 -12.694 3.195 1.00 0.00 N ATOM 0 H LYS A 18 -0.525 -11.544 4.578 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.022 -14.079 5.553 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.982 -12.379 3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.897 -13.828 3.666 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.388 -14.606 2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.412 -15.047 3.575 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.005 -12.336 2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.682 -13.731 1.607 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.669 -14.495 3.782 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.035 -13.057 4.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.245 -12.569 4.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.336 -11.762 2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.118 -13.221 2.451 1.00 0.00 H new ATOM 242 N LYS A 19 2.410 -11.963 6.178 1.00 0.00 N ATOM 243 CA LYS A 19 3.632 -11.770 6.950 1.00 0.00 C ATOM 244 C LYS A 19 3.314 -11.302 8.366 1.00 0.00 C ATOM 245 O LYS A 19 4.156 -10.706 9.038 1.00 0.00 O ATOM 246 CB LYS A 19 4.542 -10.753 6.257 1.00 0.00 C ATOM 247 CG LYS A 19 5.351 -11.340 5.114 1.00 0.00 C ATOM 248 CD LYS A 19 6.659 -10.592 4.914 1.00 0.00 C ATOM 249 CE LYS A 19 7.329 -10.981 3.606 1.00 0.00 C ATOM 250 NZ LYS A 19 8.103 -12.247 3.734 1.00 0.00 N ATOM 0 H LYS A 19 2.048 -11.114 5.743 1.00 0.00 H new ATOM 0 HA LYS A 19 4.148 -12.728 7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.933 -9.933 5.876 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.224 -10.328 6.993 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.559 -12.391 5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.765 -11.302 4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.470 -9.518 4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.331 -10.804 5.745 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.572 -11.095 2.830 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.995 -10.179 3.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.544 -12.478 2.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.842 -12.131 4.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.464 -13.018 4.014 1.00 0.00 H new ATOM 264 N LYS A 20 2.094 -11.577 8.815 1.00 0.00 N ATOM 265 CA LYS A 20 1.665 -11.187 10.153 1.00 0.00 C ATOM 266 C LYS A 20 2.164 -9.788 10.498 1.00 0.00 C ATOM 267 O LYS A 20 2.571 -9.524 11.630 1.00 0.00 O ATOM 268 CB LYS A 20 2.176 -12.192 11.188 1.00 0.00 C ATOM 269 CG LYS A 20 1.311 -13.435 11.308 1.00 0.00 C ATOM 270 CD LYS A 20 0.202 -13.245 12.329 1.00 0.00 C ATOM 271 CE LYS A 20 -1.013 -12.568 11.714 1.00 0.00 C ATOM 272 NZ LYS A 20 -2.268 -12.916 12.435 1.00 0.00 N ATOM 0 H LYS A 20 1.385 -12.069 8.272 1.00 0.00 H new ATOM 0 HA LYS A 20 0.575 -11.179 10.170 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.190 -12.490 10.923 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.231 -11.703 12.161 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.876 -13.672 10.337 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.931 -14.284 11.596 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.088 -14.213 12.737 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.571 -12.646 13.161 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.873 -11.487 11.730 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.102 -12.862 10.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.072 -12.434 11.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.416 -13.945 12.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.194 -12.612 13.427 1.00 0.00 H new ATOM 286 N LEU A 21 2.127 -8.893 9.516 1.00 0.00 N ATOM 287 CA LEU A 21 2.574 -7.519 9.717 1.00 0.00 C ATOM 288 C LEU A 21 1.391 -6.596 9.993 1.00 0.00 C ATOM 289 O LEU A 21 0.235 -7.011 9.908 1.00 0.00 O ATOM 290 CB LEU A 21 3.342 -7.028 8.489 1.00 0.00 C ATOM 291 CG LEU A 21 4.823 -7.404 8.429 1.00 0.00 C ATOM 292 CD1 LEU A 21 5.323 -7.382 6.993 1.00 0.00 C ATOM 293 CD2 LEU A 21 5.647 -6.463 9.297 1.00 0.00 C ATOM 0 H LEU A 21 1.792 -9.094 8.574 1.00 0.00 H new ATOM 0 HA LEU A 21 3.235 -7.501 10.584 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.852 -7.420 7.598 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.261 -5.942 8.445 1.00 0.00 H new ATOM 0 HG LEU A 21 4.937 -8.417 8.815 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.379 -7.652 6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.753 -8.096 6.398 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.196 -6.382 6.579 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.698 -6.745 9.243 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.527 -5.440 8.940 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.307 -6.529 10.330 1.00 0.00 H new ATOM 305 N SER A 22 1.688 -5.343 10.321 1.00 0.00 N ATOM 306 CA SER A 22 0.649 -4.362 10.611 1.00 0.00 C ATOM 307 C SER A 22 0.649 -3.247 9.570 1.00 0.00 C ATOM 308 O SER A 22 1.634 -2.525 9.417 1.00 0.00 O ATOM 309 CB SER A 22 0.852 -3.771 12.008 1.00 0.00 C ATOM 310 OG SER A 22 0.163 -4.528 12.987 1.00 0.00 O ATOM 0 H SER A 22 2.640 -4.983 10.393 1.00 0.00 H new ATOM 0 HA SER A 22 -0.315 -4.869 10.575 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.916 -3.747 12.245 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.498 -2.740 12.025 1.00 0.00 H new ATOM 0 HG SER A 22 0.310 -4.131 13.871 1.00 0.00 H new ATOM 316 N VAL A 23 -0.464 -3.114 8.855 1.00 0.00 N ATOM 317 CA VAL A 23 -0.595 -2.087 7.828 1.00 0.00 C ATOM 318 C VAL A 23 -1.611 -1.027 8.237 1.00 0.00 C ATOM 319 O VAL A 23 -2.674 -1.344 8.768 1.00 0.00 O ATOM 320 CB VAL A 23 -1.018 -2.694 6.478 1.00 0.00 C ATOM 321 CG1 VAL A 23 -2.513 -2.976 6.464 1.00 0.00 C ATOM 322 CG2 VAL A 23 -0.631 -1.770 5.333 1.00 0.00 C ATOM 0 H VAL A 23 -1.288 -3.705 8.968 1.00 0.00 H new ATOM 0 HA VAL A 23 0.385 -1.623 7.718 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.493 -3.640 6.345 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.793 -3.405 5.502 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.758 -3.679 7.260 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.060 -2.046 6.620 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.938 -2.215 4.387 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.127 -0.807 5.459 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.449 -1.624 5.332 1.00 0.00 H new ATOM 332 N ASN A 24 -1.275 0.235 7.987 1.00 0.00 N ATOM 333 CA ASN A 24 -2.158 1.343 8.330 1.00 0.00 C ATOM 334 C ASN A 24 -2.184 2.383 7.214 1.00 0.00 C ATOM 335 O ASN A 24 -1.191 2.583 6.514 1.00 0.00 O ATOM 336 CB ASN A 24 -1.709 1.995 9.639 1.00 0.00 C ATOM 337 CG ASN A 24 -2.263 1.284 10.859 1.00 0.00 C ATOM 338 OD1 ASN A 24 -3.226 1.742 11.474 1.00 0.00 O ATOM 339 ND2 ASN A 24 -1.656 0.157 11.213 1.00 0.00 N ATOM 0 H ASN A 24 -0.398 0.515 7.548 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.165 0.946 8.457 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.620 1.997 9.686 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.030 3.037 9.652 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.985 -0.366 12.024 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.861 -0.185 10.673 1.00 0.00 H new ATOM 346 N TYR A 25 -3.326 3.043 7.054 1.00 0.00 N ATOM 347 CA TYR A 25 -3.482 4.062 6.022 1.00 0.00 C ATOM 348 C TYR A 25 -3.980 5.373 6.622 1.00 0.00 C ATOM 349 O TYR A 25 -5.133 5.479 7.037 1.00 0.00 O ATOM 350 CB TYR A 25 -4.453 3.580 4.943 1.00 0.00 C ATOM 351 CG TYR A 25 -3.798 2.741 3.869 1.00 0.00 C ATOM 352 CD1 TYR A 25 -3.309 1.472 4.153 1.00 0.00 C ATOM 353 CD2 TYR A 25 -3.667 3.218 2.571 1.00 0.00 C ATOM 354 CE1 TYR A 25 -2.709 0.702 3.175 1.00 0.00 C ATOM 355 CE2 TYR A 25 -3.070 2.455 1.586 1.00 0.00 C ATOM 356 CZ TYR A 25 -2.592 1.198 1.893 1.00 0.00 C ATOM 357 OH TYR A 25 -1.996 0.435 0.916 1.00 0.00 O ATOM 0 H TYR A 25 -4.157 2.891 7.625 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.506 4.238 5.570 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.246 2.998 5.413 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.925 4.446 4.478 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.399 1.081 5.156 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.038 4.203 2.328 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -2.334 -0.282 3.413 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.978 2.841 0.581 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.143 -0.515 1.107 1.00 0.00 H new ATOM 367 N GLU A 26 -3.100 6.369 6.663 1.00 0.00 N ATOM 368 CA GLU A 26 -3.450 7.674 7.212 1.00 0.00 C ATOM 369 C GLU A 26 -3.916 8.621 6.109 1.00 0.00 C ATOM 370 O GLU A 26 -3.529 8.477 4.950 1.00 0.00 O ATOM 371 CB GLU A 26 -2.253 8.280 7.948 1.00 0.00 C ATOM 372 CG GLU A 26 -1.911 7.566 9.245 1.00 0.00 C ATOM 373 CD GLU A 26 -1.076 6.320 9.022 1.00 0.00 C ATOM 374 OE1 GLU A 26 -0.112 6.387 8.231 1.00 0.00 O ATOM 375 OE2 GLU A 26 -1.386 5.280 9.639 1.00 0.00 O ATOM 0 H GLU A 26 -2.141 6.297 6.323 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.269 7.535 7.918 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.384 8.258 7.291 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.462 9.328 8.164 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.370 8.249 9.900 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.833 7.294 9.760 1.00 0.00 H new ATOM 382 N GLN A 27 -4.749 9.588 6.481 1.00 0.00 N ATOM 383 CA GLN A 27 -5.269 10.557 5.524 1.00 0.00 C ATOM 384 C GLN A 27 -4.944 11.982 5.961 1.00 0.00 C ATOM 385 O GLN A 27 -5.428 12.450 6.993 1.00 0.00 O ATOM 386 CB GLN A 27 -6.782 10.391 5.368 1.00 0.00 C ATOM 387 CG GLN A 27 -7.205 8.973 5.021 1.00 0.00 C ATOM 388 CD GLN A 27 -6.686 8.522 3.670 1.00 0.00 C ATOM 389 OE1 GLN A 27 -6.476 9.336 2.770 1.00 0.00 O ATOM 390 NE2 GLN A 27 -6.477 7.219 3.521 1.00 0.00 N ATOM 0 H GLN A 27 -5.078 9.721 7.437 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.790 10.373 4.562 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.270 10.690 6.296 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.135 11.068 4.590 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.843 8.292 5.791 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.293 8.911 5.027 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.665 6.581 4.294 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.129 6.857 2.633 1.00 0.00 H new ATOM 553 N PHE A 38 -7.055 14.737 -1.887 1.00 0.00 N ATOM 554 CA PHE A 38 -6.984 13.734 -0.830 1.00 0.00 C ATOM 555 C PHE A 38 -5.629 13.032 -0.837 1.00 0.00 C ATOM 556 O PHE A 38 -5.272 12.357 -1.803 1.00 0.00 O ATOM 557 CB PHE A 38 -8.104 12.705 -0.999 1.00 0.00 C ATOM 558 CG PHE A 38 -9.416 13.147 -0.415 1.00 0.00 C ATOM 559 CD1 PHE A 38 -10.236 14.025 -1.105 1.00 0.00 C ATOM 560 CD2 PHE A 38 -9.828 12.684 0.825 1.00 0.00 C ATOM 561 CE1 PHE A 38 -11.444 14.433 -0.570 1.00 0.00 C ATOM 562 CE2 PHE A 38 -11.035 13.089 1.364 1.00 0.00 C ATOM 563 CZ PHE A 38 -11.843 13.965 0.666 1.00 0.00 C ATOM 0 HA PHE A 38 -7.106 14.241 0.127 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.239 12.498 -2.061 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.802 11.770 -0.527 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.928 14.395 -2.072 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -9.200 12.000 1.376 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -12.075 15.117 -1.118 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.346 12.721 2.330 1.00 0.00 H new ATOM 0 HZ PHE A 38 -12.785 14.283 1.086 1.00 0.00 H new ATOM 573 N ILE A 39 -4.879 13.197 0.247 1.00 0.00 N ATOM 574 CA ILE A 39 -3.564 12.579 0.367 1.00 0.00 C ATOM 575 C ILE A 39 -3.550 11.526 1.469 1.00 0.00 C ATOM 576 O ILE A 39 -3.914 11.804 2.613 1.00 0.00 O ATOM 577 CB ILE A 39 -2.475 13.628 0.661 1.00 0.00 C ATOM 578 CG1 ILE A 39 -2.433 14.677 -0.452 1.00 0.00 C ATOM 579 CG2 ILE A 39 -1.119 12.954 0.813 1.00 0.00 C ATOM 580 CD1 ILE A 39 -1.563 15.871 -0.125 1.00 0.00 C ATOM 0 H ILE A 39 -5.159 13.753 1.055 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.350 12.103 -0.590 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.717 14.130 1.598 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.067 14.210 -1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.447 15.021 -0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.359 13.708 1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.157 12.241 1.637 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.868 12.430 -0.109 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.581 16.573 -0.959 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.941 16.362 0.771 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.539 15.539 0.048 1.00 0.00 H new ATOM 592 N CYS A 40 -3.126 10.317 1.119 1.00 0.00 N ATOM 593 CA CYS A 40 -3.063 9.220 2.079 1.00 0.00 C ATOM 594 C CYS A 40 -1.634 8.707 2.225 1.00 0.00 C ATOM 595 O CYS A 40 -0.777 8.976 1.384 1.00 0.00 O ATOM 596 CB CYS A 40 -3.985 8.081 1.644 1.00 0.00 C ATOM 597 SG CYS A 40 -3.348 7.101 0.264 1.00 0.00 S ATOM 0 H CYS A 40 -2.821 10.071 0.177 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.395 9.597 3.047 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.157 7.422 2.495 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.952 8.498 1.364 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.203 7.583 -0.119 1.00 0.00 H new ATOM 603 N LYS A 41 -1.384 7.968 3.301 1.00 0.00 N ATOM 604 CA LYS A 41 -0.059 7.417 3.559 1.00 0.00 C ATOM 605 C LYS A 41 -0.159 6.016 4.156 1.00 0.00 C ATOM 606 O LYS A 41 -0.755 5.825 5.217 1.00 0.00 O ATOM 607 CB LYS A 41 0.721 8.331 4.506 1.00 0.00 C ATOM 608 CG LYS A 41 0.598 9.806 4.166 1.00 0.00 C ATOM 609 CD LYS A 41 1.807 10.592 4.644 1.00 0.00 C ATOM 610 CE LYS A 41 1.662 12.076 4.344 1.00 0.00 C ATOM 611 NZ LYS A 41 0.982 12.803 5.452 1.00 0.00 N ATOM 0 H LYS A 41 -2.082 7.737 4.008 1.00 0.00 H new ATOM 0 HA LYS A 41 0.471 7.352 2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.368 8.171 5.525 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.774 8.048 4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.490 9.924 3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.305 10.212 4.623 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.935 10.448 5.717 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.706 10.208 4.161 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.647 12.510 4.176 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.095 12.206 3.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.903 13.811 5.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.032 12.406 5.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.536 12.700 6.326 1.00 0.00 H new ATOM 625 N CYS A 42 0.427 5.042 3.469 1.00 0.00 N ATOM 626 CA CYS A 42 0.404 3.659 3.932 1.00 0.00 C ATOM 627 C CYS A 42 1.647 3.341 4.757 1.00 0.00 C ATOM 628 O CYS A 42 2.755 3.260 4.225 1.00 0.00 O ATOM 629 CB CYS A 42 0.308 2.703 2.743 1.00 0.00 C ATOM 630 SG CYS A 42 1.343 3.169 1.335 1.00 0.00 S ATOM 0 H CYS A 42 0.924 5.184 2.590 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.473 3.528 4.565 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.589 1.702 3.071 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.730 2.651 2.415 1.00 0.00 H new ATOM 0 HG CYS A 42 2.249 4.017 1.724 1.00 0.00 H new ATOM 636 N LYS A 43 1.457 3.163 6.060 1.00 0.00 N ATOM 637 CA LYS A 43 2.562 2.854 6.960 1.00 0.00 C ATOM 638 C LYS A 43 2.483 1.409 7.442 1.00 0.00 C ATOM 639 O LYS A 43 1.402 0.907 7.750 1.00 0.00 O ATOM 640 CB LYS A 43 2.551 3.805 8.159 1.00 0.00 C ATOM 641 CG LYS A 43 3.336 5.084 7.928 1.00 0.00 C ATOM 642 CD LYS A 43 2.969 6.155 8.942 1.00 0.00 C ATOM 643 CE LYS A 43 3.730 5.971 10.246 1.00 0.00 C ATOM 644 NZ LYS A 43 3.048 6.645 11.386 1.00 0.00 N ATOM 0 H LYS A 43 0.547 3.228 6.517 1.00 0.00 H new ATOM 0 HA LYS A 43 3.494 2.984 6.410 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.519 4.060 8.400 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.962 3.288 9.026 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.404 4.873 7.991 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.143 5.454 6.921 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.187 7.140 8.528 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.897 6.121 9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.831 4.907 10.461 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.738 6.371 10.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.598 6.496 12.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.974 7.664 11.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.095 6.246 11.506 1.00 0.00 H new ATOM 658 N ILE A 44 3.634 0.748 7.506 1.00 0.00 N ATOM 659 CA ILE A 44 3.694 -0.637 7.954 1.00 0.00 C ATOM 660 C ILE A 44 4.370 -0.746 9.317 1.00 0.00 C ATOM 661 O ILE A 44 5.595 -0.707 9.418 1.00 0.00 O ATOM 662 CB ILE A 44 4.451 -1.522 6.946 1.00 0.00 C ATOM 663 CG1 ILE A 44 3.955 -1.253 5.524 1.00 0.00 C ATOM 664 CG2 ILE A 44 4.284 -2.992 7.301 1.00 0.00 C ATOM 665 CD1 ILE A 44 2.560 -1.776 5.261 1.00 0.00 C ATOM 0 H ILE A 44 4.537 1.149 7.253 1.00 0.00 H new ATOM 0 HA ILE A 44 2.665 -0.988 8.033 1.00 0.00 H new ATOM 0 HB ILE A 44 5.512 -1.275 6.994 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.972 -0.179 5.339 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.645 -1.710 4.815 1.00 0.00 H new ATOM 0 HG21 ILE A 44 4.825 -3.604 6.579 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.681 -3.172 8.300 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.226 -3.254 7.278 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.274 -1.550 4.234 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.541 -2.855 5.414 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.858 -1.300 5.946 1.00 0.00 H new ATOM 677 N GLY A 45 3.561 -0.884 10.363 1.00 0.00 N ATOM 678 CA GLY A 45 4.099 -0.998 11.706 1.00 0.00 C ATOM 679 C GLY A 45 4.770 0.279 12.172 1.00 0.00 C ATOM 680 O GLY A 45 5.913 0.255 12.627 1.00 0.00 O ATOM 0 H GLY A 45 2.543 -0.919 10.304 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.295 -1.255 12.396 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.819 -1.816 11.737 1.00 0.00 H new ATOM 684 N GLN A 46 4.059 1.395 12.057 1.00 0.00 N ATOM 685 CA GLN A 46 4.595 2.688 12.469 1.00 0.00 C ATOM 686 C GLN A 46 5.821 3.057 11.641 1.00 0.00 C ATOM 687 O GLN A 46 6.676 3.824 12.085 1.00 0.00 O ATOM 688 CB GLN A 46 4.956 2.664 13.955 1.00 0.00 C ATOM 689 CG GLN A 46 3.749 2.563 14.873 1.00 0.00 C ATOM 690 CD GLN A 46 2.710 3.630 14.591 1.00 0.00 C ATOM 691 OE1 GLN A 46 2.756 4.722 15.158 1.00 0.00 O ATOM 692 NE2 GLN A 46 1.766 3.320 13.710 1.00 0.00 N ATOM 0 H GLN A 46 3.111 1.431 11.682 1.00 0.00 H new ATOM 0 HA GLN A 46 3.826 3.442 12.302 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.619 1.820 14.146 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.513 3.568 14.200 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.293 1.579 14.761 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.077 2.646 15.909 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.766 2.403 13.264 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.041 3.999 13.479 1.00 0.00 H new ATOM 701 N THR A 47 5.902 2.505 10.434 1.00 0.00 N ATOM 702 CA THR A 47 7.025 2.774 9.544 1.00 0.00 C ATOM 703 C THR A 47 6.544 3.304 8.198 1.00 0.00 C ATOM 704 O THR A 47 5.694 2.695 7.549 1.00 0.00 O ATOM 705 CB THR A 47 7.874 1.511 9.312 1.00 0.00 C ATOM 706 OG1 THR A 47 8.329 0.989 10.566 1.00 0.00 O ATOM 707 CG2 THR A 47 9.069 1.817 8.421 1.00 0.00 C ATOM 0 H THR A 47 5.203 1.869 10.050 1.00 0.00 H new ATOM 0 HA THR A 47 7.640 3.531 10.031 1.00 0.00 H new ATOM 0 HB THR A 47 7.251 0.768 8.814 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.560 0.688 11.093 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.653 0.909 8.272 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.719 2.186 7.457 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.692 2.576 8.895 1.00 0.00 H new ATOM 715 N MET A 48 7.095 4.440 7.783 1.00 0.00 N ATOM 716 CA MET A 48 6.723 5.050 6.512 1.00 0.00 C ATOM 717 C MET A 48 7.172 4.183 5.341 1.00 0.00 C ATOM 718 O MET A 48 8.367 3.975 5.132 1.00 0.00 O ATOM 719 CB MET A 48 7.337 6.446 6.393 1.00 0.00 C ATOM 720 CG MET A 48 6.950 7.173 5.115 1.00 0.00 C ATOM 721 SD MET A 48 7.695 8.811 4.995 1.00 0.00 S ATOM 722 CE MET A 48 6.234 9.846 4.959 1.00 0.00 C ATOM 0 H MET A 48 7.800 4.956 8.308 1.00 0.00 H new ATOM 0 HA MET A 48 5.637 5.135 6.482 1.00 0.00 H new ATOM 0 HB2 MET A 48 7.027 7.044 7.250 1.00 0.00 H new ATOM 0 HB3 MET A 48 8.423 6.362 6.439 1.00 0.00 H new ATOM 0 HG2 MET A 48 7.254 6.576 4.255 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.865 7.267 5.070 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.531 10.892 4.886 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.622 9.582 4.097 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.659 9.695 5.872 1.00 0.00 H new ATOM 732 N TYR A 49 6.207 3.678 4.580 1.00 0.00 N ATOM 733 CA TYR A 49 6.503 2.830 3.431 1.00 0.00 C ATOM 734 C TYR A 49 6.184 3.551 2.125 1.00 0.00 C ATOM 735 O TYR A 49 7.068 3.796 1.306 1.00 0.00 O ATOM 736 CB TYR A 49 5.708 1.526 3.515 1.00 0.00 C ATOM 737 CG TYR A 49 6.427 0.425 4.260 1.00 0.00 C ATOM 738 CD1 TYR A 49 7.010 0.664 5.499 1.00 0.00 C ATOM 739 CD2 TYR A 49 6.525 -0.854 3.726 1.00 0.00 C ATOM 740 CE1 TYR A 49 7.668 -0.339 6.184 1.00 0.00 C ATOM 741 CE2 TYR A 49 7.181 -1.863 4.404 1.00 0.00 C ATOM 742 CZ TYR A 49 7.751 -1.601 5.632 1.00 0.00 C ATOM 743 OH TYR A 49 8.406 -2.603 6.311 1.00 0.00 O ATOM 0 H TYR A 49 5.213 3.841 4.738 1.00 0.00 H new ATOM 0 HA TYR A 49 7.568 2.600 3.446 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.755 1.723 4.006 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.482 1.182 2.506 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.947 1.651 5.934 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.081 -1.063 2.764 1.00 0.00 H new ATOM 0 HE1 TYR A 49 8.115 -0.137 7.146 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.247 -2.852 3.975 1.00 0.00 H new ATOM 0 HH TYR A 49 8.373 -3.430 5.786 1.00 0.00 H new ATOM 753 N GLY A 50 4.912 3.890 1.939 1.00 0.00 N ATOM 754 CA GLY A 50 4.497 4.580 0.732 1.00 0.00 C ATOM 755 C GLY A 50 3.468 5.659 1.006 1.00 0.00 C ATOM 756 O GLY A 50 2.731 5.591 1.990 1.00 0.00 O ATOM 0 H GLY A 50 4.162 3.699 2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.369 5.027 0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.083 3.858 0.028 1.00 0.00 H new ATOM 760 N THR A 51 3.418 6.662 0.134 1.00 0.00 N ATOM 761 CA THR A 51 2.475 7.762 0.288 1.00 0.00 C ATOM 762 C THR A 51 1.688 7.995 -0.997 1.00 0.00 C ATOM 763 O THR A 51 2.267 8.192 -2.064 1.00 0.00 O ATOM 764 CB THR A 51 3.193 9.067 0.680 1.00 0.00 C ATOM 765 OG1 THR A 51 3.940 8.871 1.886 1.00 0.00 O ATOM 766 CG2 THR A 51 2.193 10.197 0.875 1.00 0.00 C ATOM 0 H THR A 51 4.020 6.734 -0.686 1.00 0.00 H new ATOM 0 HA THR A 51 1.788 7.480 1.086 1.00 0.00 H new ATOM 0 HB THR A 51 3.872 9.340 -0.128 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.395 9.704 2.128 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.723 11.108 1.151 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.646 10.363 -0.053 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.493 9.931 1.667 1.00 0.00 H new ATOM 774 N GLY A 52 0.363 7.973 -0.887 1.00 0.00 N ATOM 775 CA GLY A 52 -0.482 8.184 -2.048 1.00 0.00 C ATOM 776 C GLY A 52 -1.143 9.548 -2.043 1.00 0.00 C ATOM 777 O GLY A 52 -1.434 10.101 -0.983 1.00 0.00 O ATOM 0 H GLY A 52 -0.140 7.813 -0.014 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.116 8.077 -2.953 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.250 7.411 -2.080 1.00 0.00 H new ATOM 781 N SER A 53 -1.379 10.094 -3.232 1.00 0.00 N ATOM 782 CA SER A 53 -2.005 11.404 -3.361 1.00 0.00 C ATOM 783 C SER A 53 -2.905 11.458 -4.592 1.00 0.00 C ATOM 784 O SER A 53 -2.441 11.314 -5.722 1.00 0.00 O ATOM 785 CB SER A 53 -0.937 12.497 -3.449 1.00 0.00 C ATOM 786 OG SER A 53 -0.175 12.370 -4.637 1.00 0.00 O ATOM 0 H SER A 53 -1.146 9.649 -4.120 1.00 0.00 H new ATOM 0 HA SER A 53 -2.618 11.574 -2.476 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.412 13.478 -3.421 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.278 12.437 -2.583 1.00 0.00 H new ATOM 0 HG SER A 53 -0.747 12.033 -5.358 1.00 0.00 H new ATOM 792 N GLY A 54 -4.198 11.666 -4.362 1.00 0.00 N ATOM 793 CA GLY A 54 -5.145 11.734 -5.460 1.00 0.00 C ATOM 794 C GLY A 54 -6.309 12.658 -5.165 1.00 0.00 C ATOM 795 O GLY A 54 -6.308 13.370 -4.161 1.00 0.00 O ATOM 0 H GLY A 54 -4.606 11.789 -3.435 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.631 12.077 -6.358 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.524 10.734 -5.672 1.00 0.00 H new ATOM 799 N VAL A 55 -7.307 12.650 -6.043 1.00 0.00 N ATOM 800 CA VAL A 55 -8.484 13.494 -5.873 1.00 0.00 C ATOM 801 C VAL A 55 -9.580 12.761 -5.107 1.00 0.00 C ATOM 802 O VAL A 55 -10.448 13.383 -4.494 1.00 0.00 O ATOM 803 CB VAL A 55 -9.043 13.958 -7.230 1.00 0.00 C ATOM 804 CG1 VAL A 55 -8.055 14.880 -7.928 1.00 0.00 C ATOM 805 CG2 VAL A 55 -9.378 12.760 -8.106 1.00 0.00 C ATOM 0 H VAL A 55 -7.324 12.068 -6.880 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.168 14.367 -5.302 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.962 14.517 -7.053 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.468 15.198 -8.886 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.871 15.755 -7.304 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.118 14.349 -8.095 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.772 13.107 -9.061 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.477 12.171 -8.277 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.126 12.143 -7.608 1.00 0.00 H new ATOM 815 N THR A 56 -9.534 11.433 -5.146 1.00 0.00 N ATOM 816 CA THR A 56 -10.523 10.614 -4.457 1.00 0.00 C ATOM 817 C THR A 56 -9.858 9.667 -3.465 1.00 0.00 C ATOM 818 O THR A 56 -8.840 9.045 -3.771 1.00 0.00 O ATOM 819 CB THR A 56 -11.362 9.790 -5.452 1.00 0.00 C ATOM 820 OG1 THR A 56 -11.740 10.605 -6.567 1.00 0.00 O ATOM 821 CG2 THR A 56 -12.608 9.234 -4.779 1.00 0.00 C ATOM 0 H THR A 56 -8.822 10.902 -5.648 1.00 0.00 H new ATOM 0 HA THR A 56 -11.179 11.298 -3.919 1.00 0.00 H new ATOM 0 HB THR A 56 -10.754 8.956 -5.802 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.272 10.073 -7.196 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.184 8.656 -5.501 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.317 8.591 -3.949 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.217 10.057 -4.404 1.00 0.00 H new ATOM 829 N LYS A 57 -10.439 9.560 -2.275 1.00 0.00 N ATOM 830 CA LYS A 57 -9.904 8.687 -1.237 1.00 0.00 C ATOM 831 C LYS A 57 -9.335 7.408 -1.842 1.00 0.00 C ATOM 832 O LYS A 57 -8.136 7.147 -1.749 1.00 0.00 O ATOM 833 CB LYS A 57 -10.995 8.341 -0.221 1.00 0.00 C ATOM 834 CG LYS A 57 -11.128 9.359 0.898 1.00 0.00 C ATOM 835 CD LYS A 57 -10.230 9.016 2.075 1.00 0.00 C ATOM 836 CE LYS A 57 -10.773 7.835 2.865 1.00 0.00 C ATOM 837 NZ LYS A 57 -9.689 7.088 3.560 1.00 0.00 N ATOM 0 H LYS A 57 -11.282 10.068 -2.005 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.098 9.218 -0.730 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.950 8.257 -0.740 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.780 7.364 0.212 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.873 10.350 0.522 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.165 9.401 1.231 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.228 8.784 1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.140 9.883 2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.497 8.190 3.598 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.305 7.162 2.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.998 6.111 3.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.836 7.080 2.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.474 7.551 4.466 1.00 0.00 H new ATOM 851 N GLN A 58 -10.203 6.615 -2.463 1.00 0.00 N ATOM 852 CA GLN A 58 -9.784 5.364 -3.084 1.00 0.00 C ATOM 853 C GLN A 58 -8.532 5.568 -3.930 1.00 0.00 C ATOM 854 O GLN A 58 -7.493 4.961 -3.673 1.00 0.00 O ATOM 855 CB GLN A 58 -10.912 4.797 -3.949 1.00 0.00 C ATOM 856 CG GLN A 58 -10.530 3.526 -4.690 1.00 0.00 C ATOM 857 CD GLN A 58 -11.692 2.928 -5.460 1.00 0.00 C ATOM 858 OE1 GLN A 58 -12.042 3.399 -6.542 1.00 0.00 O ATOM 859 NE2 GLN A 58 -12.296 1.885 -4.904 1.00 0.00 N ATOM 0 H GLN A 58 -11.199 6.816 -2.549 1.00 0.00 H new ATOM 0 HA GLN A 58 -9.552 4.654 -2.290 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -11.776 4.593 -3.317 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -11.218 5.552 -4.673 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -9.715 3.743 -5.380 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -10.156 2.792 -3.976 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -11.972 1.528 -4.005 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -13.084 1.441 -5.376 1.00 0.00 H new ATOM 868 N GLU A 59 -8.639 6.426 -4.940 1.00 0.00 N ATOM 869 CA GLU A 59 -7.514 6.708 -5.824 1.00 0.00 C ATOM 870 C GLU A 59 -6.199 6.704 -5.049 1.00 0.00 C ATOM 871 O GLU A 59 -5.254 6.006 -5.414 1.00 0.00 O ATOM 872 CB GLU A 59 -7.707 8.059 -6.516 1.00 0.00 C ATOM 873 CG GLU A 59 -6.692 8.331 -7.613 1.00 0.00 C ATOM 874 CD GLU A 59 -7.123 7.777 -8.957 1.00 0.00 C ATOM 875 OE1 GLU A 59 -7.679 6.659 -8.987 1.00 0.00 O ATOM 876 OE2 GLU A 59 -6.904 8.461 -9.979 1.00 0.00 O ATOM 0 H GLU A 59 -9.492 6.937 -5.166 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.473 5.924 -6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.710 8.100 -6.942 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.645 8.852 -5.771 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.537 9.406 -7.700 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.734 7.892 -7.334 1.00 0.00 H new ATOM 883 N ALA A 60 -6.147 7.490 -3.979 1.00 0.00 N ATOM 884 CA ALA A 60 -4.950 7.577 -3.152 1.00 0.00 C ATOM 885 C ALA A 60 -4.719 6.282 -2.382 1.00 0.00 C ATOM 886 O ALA A 60 -3.718 5.595 -2.587 1.00 0.00 O ATOM 887 CB ALA A 60 -5.057 8.752 -2.191 1.00 0.00 C ATOM 0 H ALA A 60 -6.920 8.076 -3.664 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.095 7.735 -3.810 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.156 8.805 -1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.166 9.677 -2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.926 8.617 -1.547 1.00 0.00 H new ATOM 893 N LYS A 61 -5.652 5.952 -1.495 1.00 0.00 N ATOM 894 CA LYS A 61 -5.551 4.737 -0.694 1.00 0.00 C ATOM 895 C LYS A 61 -5.049 3.570 -1.537 1.00 0.00 C ATOM 896 O LYS A 61 -4.481 2.613 -1.012 1.00 0.00 O ATOM 897 CB LYS A 61 -6.911 4.391 -0.082 1.00 0.00 C ATOM 898 CG LYS A 61 -6.812 3.624 1.224 1.00 0.00 C ATOM 899 CD LYS A 61 -8.171 3.474 1.887 1.00 0.00 C ATOM 900 CE LYS A 61 -9.013 2.412 1.198 1.00 0.00 C ATOM 901 NZ LYS A 61 -8.736 1.050 1.735 1.00 0.00 N ATOM 0 H LYS A 61 -6.487 6.509 -1.313 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.834 4.918 0.107 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.468 5.312 0.089 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.483 3.801 -0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.387 2.638 1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.131 4.141 1.900 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.038 3.210 2.936 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.696 4.429 1.863 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.070 2.646 1.328 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.812 2.428 0.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.330 0.354 1.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.733 0.816 1.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.952 1.027 2.752 1.00 0.00 H new ATOM 915 N GLN A 62 -5.262 3.656 -2.846 1.00 0.00 N ATOM 916 CA GLN A 62 -4.830 2.606 -3.761 1.00 0.00 C ATOM 917 C GLN A 62 -3.352 2.757 -4.104 1.00 0.00 C ATOM 918 O GLN A 62 -2.539 1.886 -3.793 1.00 0.00 O ATOM 919 CB GLN A 62 -5.668 2.637 -5.040 1.00 0.00 C ATOM 920 CG GLN A 62 -7.021 1.958 -4.898 1.00 0.00 C ATOM 921 CD GLN A 62 -7.673 1.670 -6.236 1.00 0.00 C ATOM 922 OE1 GLN A 62 -8.811 2.070 -6.484 1.00 0.00 O ATOM 923 NE2 GLN A 62 -6.953 0.972 -7.107 1.00 0.00 N ATOM 0 H GLN A 62 -5.731 4.442 -3.297 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.973 1.646 -3.265 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.821 3.674 -5.339 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.110 2.153 -5.842 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.899 1.024 -4.349 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.681 2.592 -4.306 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.014 0.661 -6.859 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.339 0.747 -8.024 1.00 0.00 H new ATOM 932 N LEU A 63 -3.010 3.868 -4.748 1.00 0.00 N ATOM 933 CA LEU A 63 -1.628 4.134 -5.134 1.00 0.00 C ATOM 934 C LEU A 63 -0.680 3.893 -3.964 1.00 0.00 C ATOM 935 O LEU A 63 0.302 3.162 -4.089 1.00 0.00 O ATOM 936 CB LEU A 63 -1.486 5.573 -5.633 1.00 0.00 C ATOM 937 CG LEU A 63 -2.406 5.979 -6.785 1.00 0.00 C ATOM 938 CD1 LEU A 63 -2.730 7.463 -6.713 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.769 5.634 -8.123 1.00 0.00 C ATOM 0 H LEU A 63 -3.670 4.599 -5.014 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.363 3.449 -5.939 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.668 6.246 -4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.454 5.727 -5.948 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.338 5.421 -6.694 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.386 7.733 -7.541 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.229 7.681 -5.769 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.808 8.040 -6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.438 5.930 -8.931 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.822 6.165 -8.223 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.590 4.560 -8.175 1.00 0.00 H new ATOM 951 N ALA A 64 -0.981 4.512 -2.827 1.00 0.00 N ATOM 952 CA ALA A 64 -0.158 4.362 -1.634 1.00 0.00 C ATOM 953 C ALA A 64 0.440 2.961 -1.552 1.00 0.00 C ATOM 954 O ALA A 64 1.653 2.801 -1.420 1.00 0.00 O ATOM 955 CB ALA A 64 -0.977 4.662 -0.387 1.00 0.00 C ATOM 0 H ALA A 64 -1.789 5.122 -2.707 1.00 0.00 H new ATOM 0 HA ALA A 64 0.663 5.076 -1.697 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.350 4.546 0.497 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.351 5.685 -0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.817 3.970 -0.329 1.00 0.00 H new ATOM 961 N ALA A 65 -0.420 1.951 -1.631 1.00 0.00 N ATOM 962 CA ALA A 65 0.024 0.564 -1.567 1.00 0.00 C ATOM 963 C ALA A 65 1.121 0.291 -2.591 1.00 0.00 C ATOM 964 O ALA A 65 2.185 -0.228 -2.253 1.00 0.00 O ATOM 965 CB ALA A 65 -1.151 -0.377 -1.787 1.00 0.00 C ATOM 0 H ALA A 65 -1.428 2.067 -1.739 1.00 0.00 H new ATOM 0 HA ALA A 65 0.437 0.386 -0.574 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.805 -1.409 -1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.902 -0.208 -1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.589 -0.189 -2.767 1.00 0.00 H new ATOM 971 N LYS A 66 0.855 0.643 -3.844 1.00 0.00 N ATOM 972 CA LYS A 66 1.819 0.437 -4.918 1.00 0.00 C ATOM 973 C LYS A 66 3.241 0.705 -4.433 1.00 0.00 C ATOM 974 O LYS A 66 4.123 -0.140 -4.575 1.00 0.00 O ATOM 975 CB LYS A 66 1.495 1.348 -6.105 1.00 0.00 C ATOM 976 CG LYS A 66 2.159 0.919 -7.401 1.00 0.00 C ATOM 977 CD LYS A 66 1.725 1.792 -8.566 1.00 0.00 C ATOM 978 CE LYS A 66 1.923 1.083 -9.898 1.00 0.00 C ATOM 979 NZ LYS A 66 0.714 0.311 -10.300 1.00 0.00 N ATOM 0 H LYS A 66 -0.021 1.073 -4.141 1.00 0.00 H new ATOM 0 HA LYS A 66 1.752 -0.603 -5.236 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.415 1.371 -6.250 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.806 2.365 -5.867 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.242 0.971 -7.290 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.909 -0.121 -7.612 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.675 2.062 -8.449 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.296 2.721 -8.559 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.158 1.817 -10.669 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.777 0.410 -9.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.645 0.289 -11.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.786 -0.661 -9.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.135 0.765 -9.906 1.00 0.00 H new ATOM 993 N GLU A 67 3.453 1.884 -3.857 1.00 0.00 N ATOM 994 CA GLU A 67 4.767 2.261 -3.350 1.00 0.00 C ATOM 995 C GLU A 67 5.191 1.345 -2.205 1.00 0.00 C ATOM 996 O GLU A 67 6.310 0.835 -2.187 1.00 0.00 O ATOM 997 CB GLU A 67 4.758 3.716 -2.878 1.00 0.00 C ATOM 998 CG GLU A 67 4.766 4.725 -4.014 1.00 0.00 C ATOM 999 CD GLU A 67 5.772 4.378 -5.095 1.00 0.00 C ATOM 1000 OE1 GLU A 67 6.983 4.351 -4.793 1.00 0.00 O ATOM 1001 OE2 GLU A 67 5.346 4.132 -6.243 1.00 0.00 O ATOM 0 H GLU A 67 2.732 2.594 -3.730 1.00 0.00 H new ATOM 0 HA GLU A 67 5.486 2.155 -4.162 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.875 3.883 -2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.628 3.889 -2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.770 4.780 -4.454 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.993 5.714 -3.615 1.00 0.00 H new ATOM 1008 N ALA A 68 4.288 1.143 -1.251 1.00 0.00 N ATOM 1009 CA ALA A 68 4.567 0.289 -0.104 1.00 0.00 C ATOM 1010 C ALA A 68 5.053 -1.086 -0.548 1.00 0.00 C ATOM 1011 O ALA A 68 5.939 -1.673 0.074 1.00 0.00 O ATOM 1012 CB ALA A 68 3.328 0.156 0.769 1.00 0.00 C ATOM 0 H ALA A 68 3.357 1.559 -1.250 1.00 0.00 H new ATOM 0 HA ALA A 68 5.361 0.755 0.479 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.551 -0.485 1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.026 1.141 1.124 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.518 -0.284 0.187 1.00 0.00 H new ATOM 1018 N TYR A 69 4.469 -1.595 -1.627 1.00 0.00 N ATOM 1019 CA TYR A 69 4.841 -2.903 -2.153 1.00 0.00 C ATOM 1020 C TYR A 69 6.276 -2.894 -2.671 1.00 0.00 C ATOM 1021 O TYR A 69 7.116 -3.669 -2.216 1.00 0.00 O ATOM 1022 CB TYR A 69 3.885 -3.316 -3.274 1.00 0.00 C ATOM 1023 CG TYR A 69 4.044 -4.757 -3.704 1.00 0.00 C ATOM 1024 CD1 TYR A 69 3.634 -5.798 -2.880 1.00 0.00 C ATOM 1025 CD2 TYR A 69 4.605 -5.077 -4.934 1.00 0.00 C ATOM 1026 CE1 TYR A 69 3.778 -7.116 -3.269 1.00 0.00 C ATOM 1027 CE2 TYR A 69 4.751 -6.392 -5.332 1.00 0.00 C ATOM 1028 CZ TYR A 69 4.336 -7.408 -4.496 1.00 0.00 C ATOM 1029 OH TYR A 69 4.482 -8.719 -4.888 1.00 0.00 O ATOM 0 H TYR A 69 3.736 -1.121 -2.155 1.00 0.00 H new ATOM 0 HA TYR A 69 4.772 -3.626 -1.340 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.859 -3.155 -2.943 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.047 -2.668 -4.136 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.195 -5.573 -1.919 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.933 -4.284 -5.590 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.455 -7.913 -2.616 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.188 -6.623 -6.292 1.00 0.00 H new ATOM 0 HH TYR A 69 4.891 -8.751 -5.778 1.00 0.00 H new ATOM 1039 N GLN A 70 6.548 -2.009 -3.625 1.00 0.00 N ATOM 1040 CA GLN A 70 7.881 -1.898 -4.206 1.00 0.00 C ATOM 1041 C GLN A 70 8.945 -1.820 -3.115 1.00 0.00 C ATOM 1042 O GLN A 70 10.020 -2.407 -3.238 1.00 0.00 O ATOM 1043 CB GLN A 70 7.967 -0.666 -5.108 1.00 0.00 C ATOM 1044 CG GLN A 70 7.372 -0.882 -6.490 1.00 0.00 C ATOM 1045 CD GLN A 70 8.389 -1.403 -7.487 1.00 0.00 C ATOM 1046 OE1 GLN A 70 9.136 -2.337 -7.198 1.00 0.00 O ATOM 1047 NE2 GLN A 70 8.421 -0.800 -8.670 1.00 0.00 N ATOM 0 H GLN A 70 5.864 -1.359 -4.012 1.00 0.00 H new ATOM 0 HA GLN A 70 8.065 -2.790 -4.805 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.452 0.164 -4.625 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.012 -0.375 -5.213 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.544 -1.587 -6.419 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.959 0.059 -6.855 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.783 -0.029 -8.867 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.084 -1.108 -9.382 1.00 0.00 H new ATOM 1056 N LYS A 71 8.639 -1.089 -2.049 1.00 0.00 N ATOM 1057 CA LYS A 71 9.567 -0.933 -0.935 1.00 0.00 C ATOM 1058 C LYS A 71 9.869 -2.280 -0.286 1.00 0.00 C ATOM 1059 O LYS A 71 10.980 -2.516 0.191 1.00 0.00 O ATOM 1060 CB LYS A 71 8.991 0.029 0.106 1.00 0.00 C ATOM 1061 CG LYS A 71 10.031 0.583 1.064 1.00 0.00 C ATOM 1062 CD LYS A 71 9.408 1.529 2.077 1.00 0.00 C ATOM 1063 CE LYS A 71 10.190 1.542 3.382 1.00 0.00 C ATOM 1064 NZ LYS A 71 10.013 0.277 4.148 1.00 0.00 N ATOM 0 H LYS A 71 7.754 -0.595 -1.933 1.00 0.00 H new ATOM 0 HA LYS A 71 10.497 -0.521 -1.325 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.504 0.858 -0.408 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.221 -0.487 0.679 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.521 -0.239 1.586 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.803 1.108 0.501 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.373 2.536 1.662 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.378 1.229 2.272 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.248 1.693 3.170 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.864 2.384 3.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.841 0.121 4.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.158 0.344 4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.916 -0.519 3.486 1.00 0.00 H new ATOM 1078 N LEU A 72 8.874 -3.161 -0.272 1.00 0.00 N ATOM 1079 CA LEU A 72 9.034 -4.485 0.318 1.00 0.00 C ATOM 1080 C LEU A 72 9.825 -5.403 -0.610 1.00 0.00 C ATOM 1081 O LEU A 72 10.604 -6.241 -0.155 1.00 0.00 O ATOM 1082 CB LEU A 72 7.666 -5.100 0.617 1.00 0.00 C ATOM 1083 CG LEU A 72 7.083 -4.800 1.999 1.00 0.00 C ATOM 1084 CD1 LEU A 72 5.628 -5.238 2.070 1.00 0.00 C ATOM 1085 CD2 LEU A 72 7.902 -5.485 3.083 1.00 0.00 C ATOM 0 H LEU A 72 7.949 -2.982 -0.662 1.00 0.00 H new ATOM 0 HA LEU A 72 9.588 -4.376 1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.960 -4.751 -0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.744 -6.181 0.504 1.00 0.00 H new ATOM 0 HG LEU A 72 7.126 -3.724 2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.229 -5.017 3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.049 -4.702 1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.561 -6.310 1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.473 -5.261 4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.891 -6.563 2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.929 -5.123 3.046 1.00 0.00 H new ATOM 1097 N LEU A 73 9.620 -5.237 -1.912 1.00 0.00 N ATOM 1098 CA LEU A 73 10.316 -6.048 -2.905 1.00 0.00 C ATOM 1099 C LEU A 73 11.819 -5.792 -2.861 1.00 0.00 C ATOM 1100 O LEU A 73 12.618 -6.660 -3.214 1.00 0.00 O ATOM 1101 CB LEU A 73 9.776 -5.750 -4.305 1.00 0.00 C ATOM 1102 CG LEU A 73 8.292 -6.043 -4.529 1.00 0.00 C ATOM 1103 CD1 LEU A 73 7.843 -5.518 -5.883 1.00 0.00 C ATOM 1104 CD2 LEU A 73 8.021 -7.536 -4.417 1.00 0.00 C ATOM 0 H LEU A 73 8.978 -4.549 -2.305 1.00 0.00 H new ATOM 0 HA LEU A 73 10.139 -7.097 -2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.955 -4.698 -4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.353 -6.329 -5.026 1.00 0.00 H new ATOM 0 HG LEU A 73 7.719 -5.531 -3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.784 -5.736 -6.025 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.001 -4.440 -5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.421 -6.001 -6.671 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.960 -7.726 -4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.604 -8.069 -5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.304 -7.884 -3.424 1.00 0.00 H new ATOM 1116 N LYS A 74 12.198 -4.596 -2.424 1.00 0.00 N ATOM 1117 CA LYS A 74 13.605 -4.225 -2.330 1.00 0.00 C ATOM 1118 C LYS A 74 14.075 -4.236 -0.879 1.00 0.00 C ATOM 1119 O LYS A 74 15.252 -4.464 -0.600 1.00 0.00 O ATOM 1120 CB LYS A 74 13.830 -2.840 -2.940 1.00 0.00 C ATOM 1121 CG LYS A 74 13.346 -1.701 -2.059 1.00 0.00 C ATOM 1122 CD LYS A 74 14.210 -0.462 -2.224 1.00 0.00 C ATOM 1123 CE LYS A 74 14.221 0.382 -0.959 1.00 0.00 C ATOM 1124 NZ LYS A 74 15.048 1.610 -1.118 1.00 0.00 N ATOM 0 H LYS A 74 11.549 -3.866 -2.129 1.00 0.00 H new ATOM 0 HA LYS A 74 14.187 -4.959 -2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 74 14.894 -2.708 -3.138 1.00 0.00 H new ATOM 0 HB3 LYS A 74 13.318 -2.788 -3.901 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.313 -1.461 -2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 74 13.357 -2.017 -1.016 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.229 -0.758 -2.474 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.838 0.134 -3.057 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.200 0.663 -0.701 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.607 -0.211 -0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.030 2.158 -0.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.028 1.342 -1.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.664 2.189 -1.892 1.00 0.00 H new