USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 494 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 26 TYR OH : rot -107:sc= 0.862 USER MOD Set 1.2: A 36 THR OG1 : rot -16:sc= 1.73 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= -1.32 USER MOD Single : A 10 ASN : amide:sc= -1.31 K(o=-1.3,f=-7.9!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -7.47! C(o=-7.5!,f=-7.3!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 74:sc= 0.325 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.09 X(o=-1.1,f=-0.97) USER MOD Single : A 38 ASN : amide:sc= -0.579 K(o=-0.58,f=-6.8!) USER MOD Single : A 42 ASN : amide:sc= -7.54! C(o=-7.5!,f=-3.7!) USER MOD Single : A 48 ASN : amide:sc= -0.0633 X(o=-0.063,f=0) USER MOD Single : A 49 SER OG : rot 69:sc= 0.592 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 30:sc= -0.0809 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -1.610 10.529 8.795 1.00 0.00 N ATOM 44 CA LYS A 4 -0.470 9.638 8.666 1.00 0.00 C ATOM 45 C LYS A 4 -0.588 8.852 7.357 1.00 0.00 C ATOM 46 O LYS A 4 -1.686 8.678 6.831 1.00 0.00 O ATOM 47 CB LYS A 4 -0.338 8.751 9.905 1.00 0.00 C ATOM 48 CG LYS A 4 0.980 9.019 10.634 1.00 0.00 C ATOM 49 CD LYS A 4 0.957 8.427 12.045 1.00 0.00 C ATOM 50 CE LYS A 4 2.376 8.148 12.545 1.00 0.00 C ATOM 51 NZ LYS A 4 2.551 8.664 13.920 1.00 0.00 N ATOM 0 HA LYS A 4 0.456 10.211 8.613 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.174 8.935 10.579 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.389 7.702 9.613 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.806 8.588 10.069 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.157 10.093 10.689 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.457 9.117 12.725 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.379 7.503 12.046 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.571 7.076 12.525 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.101 8.616 11.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.519 8.467 14.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.385 9.691 13.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.872 8.198 14.555 1.00 0.00 H new ATOM 65 N LEU A 5 0.558 8.400 6.871 1.00 0.00 N ATOM 66 CA LEU A 5 0.597 7.638 5.635 1.00 0.00 C ATOM 67 C LEU A 5 1.760 6.644 5.691 1.00 0.00 C ATOM 68 O LEU A 5 2.790 6.921 6.303 1.00 0.00 O ATOM 69 CB LEU A 5 0.648 8.577 4.428 1.00 0.00 C ATOM 70 CG LEU A 5 2.033 8.820 3.825 1.00 0.00 C ATOM 71 CD1 LEU A 5 2.993 9.393 4.870 1.00 0.00 C ATOM 72 CD2 LEU A 5 2.583 7.546 3.181 1.00 0.00 C ATOM 0 H LEU A 5 1.467 8.547 7.311 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.316 7.055 5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.001 8.172 3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.228 9.539 4.723 1.00 0.00 H new ATOM 0 HG LEU A 5 1.935 9.564 3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.970 9.556 4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.603 10.340 5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.091 8.691 5.698 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.568 7.747 2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.663 6.763 3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.910 7.219 2.388 1.00 0.00 H new ATOM 84 N TYR A 6 1.556 5.506 5.042 1.00 0.00 N ATOM 85 CA TYR A 6 2.573 4.470 5.010 1.00 0.00 C ATOM 86 C TYR A 6 2.482 3.652 3.720 1.00 0.00 C ATOM 87 O TYR A 6 1.511 2.926 3.509 1.00 0.00 O ATOM 88 CB TYR A 6 2.283 3.556 6.202 1.00 0.00 C ATOM 89 CG TYR A 6 3.387 2.538 6.488 1.00 0.00 C ATOM 90 CD1 TYR A 6 3.686 1.563 5.558 1.00 0.00 C ATOM 91 CD2 TYR A 6 4.085 2.592 7.678 1.00 0.00 C ATOM 92 CE1 TYR A 6 4.726 0.604 5.828 1.00 0.00 C ATOM 93 CE2 TYR A 6 5.124 1.634 7.948 1.00 0.00 C ATOM 94 CZ TYR A 6 5.394 0.687 7.009 1.00 0.00 C ATOM 95 OH TYR A 6 6.376 -0.219 7.265 1.00 0.00 O ATOM 0 H TYR A 6 0.701 5.280 4.534 1.00 0.00 H new ATOM 0 HA TYR A 6 3.570 4.909 5.054 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.131 4.170 7.089 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.350 3.023 6.020 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.140 1.519 4.627 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.851 3.354 8.407 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.970 -0.164 5.108 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.677 1.666 8.875 1.00 0.00 H new ATOM 0 HH TYR A 6 6.767 -0.038 8.145 1.00 0.00 H new ATOM 105 N GLY A 7 3.506 3.796 2.892 1.00 0.00 N ATOM 106 CA GLY A 7 3.553 3.079 1.629 1.00 0.00 C ATOM 107 C GLY A 7 2.490 3.602 0.661 1.00 0.00 C ATOM 108 O GLY A 7 1.605 2.857 0.244 1.00 0.00 O ATOM 0 H GLY A 7 4.309 4.398 3.071 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.541 3.187 1.182 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.397 2.015 1.805 1.00 0.00 H new ATOM 112 N ASP A 8 2.612 4.880 0.333 1.00 0.00 N ATOM 113 CA ASP A 8 1.673 5.511 -0.578 1.00 0.00 C ATOM 114 C ASP A 8 2.160 5.326 -2.017 1.00 0.00 C ATOM 115 O ASP A 8 3.363 5.252 -2.262 1.00 0.00 O ATOM 116 CB ASP A 8 1.564 7.012 -0.304 1.00 0.00 C ATOM 117 CG ASP A 8 0.136 7.558 -0.246 1.00 0.00 C ATOM 118 OD1 ASP A 8 -0.714 7.003 -0.976 1.00 0.00 O ATOM 119 OD2 ASP A 8 -0.074 8.518 0.528 1.00 0.00 O ATOM 0 H ASP A 8 3.347 5.495 0.682 1.00 0.00 H new ATOM 0 HA ASP A 8 0.698 5.046 -0.432 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.059 7.230 0.643 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.110 7.548 -1.080 1.00 0.00 H new ATOM 124 N VAL A 9 1.202 5.258 -2.929 1.00 0.00 N ATOM 125 CA VAL A 9 1.519 5.084 -4.335 1.00 0.00 C ATOM 126 C VAL A 9 1.471 6.443 -5.037 1.00 0.00 C ATOM 127 O VAL A 9 2.469 6.890 -5.601 1.00 0.00 O ATOM 128 CB VAL A 9 0.575 4.055 -4.962 1.00 0.00 C ATOM 129 CG1 VAL A 9 0.694 4.059 -6.487 1.00 0.00 C ATOM 130 CG2 VAL A 9 0.834 2.658 -4.395 1.00 0.00 C ATOM 0 H VAL A 9 0.205 5.320 -2.721 1.00 0.00 H new ATOM 0 HA VAL A 9 2.530 4.693 -4.452 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.446 4.337 -4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.013 3.319 -6.907 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.437 5.047 -6.869 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.717 3.814 -6.773 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.150 1.945 -4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.862 2.364 -4.607 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.674 2.668 -3.317 1.00 0.00 H new ATOM 140 N ASN A 10 0.301 7.063 -4.978 1.00 0.00 N ATOM 141 CA ASN A 10 0.111 8.361 -5.601 1.00 0.00 C ATOM 142 C ASN A 10 0.163 9.450 -4.527 1.00 0.00 C ATOM 143 O ASN A 10 -0.348 10.551 -4.728 1.00 0.00 O ATOM 144 CB ASN A 10 -1.250 8.447 -6.294 1.00 0.00 C ATOM 145 CG ASN A 10 -2.342 7.797 -5.439 1.00 0.00 C ATOM 146 OD1 ASN A 10 -2.164 7.521 -4.263 1.00 0.00 O ATOM 147 ND2 ASN A 10 -3.476 7.568 -6.093 1.00 0.00 N ATOM 0 H ASN A 10 -0.524 6.690 -4.508 1.00 0.00 H new ATOM 0 HA ASN A 10 0.901 8.498 -6.339 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.502 9.491 -6.480 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.200 7.953 -7.264 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.265 7.137 -5.611 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.558 7.824 -7.077 1.00 0.00 H new ATOM 154 N ASP A 11 0.785 9.104 -3.409 1.00 0.00 N ATOM 155 CA ASP A 11 0.911 10.038 -2.303 1.00 0.00 C ATOM 156 C ASP A 11 -0.461 10.637 -1.988 1.00 0.00 C ATOM 157 O ASP A 11 -0.603 11.855 -1.893 1.00 0.00 O ATOM 158 CB ASP A 11 1.859 11.185 -2.656 1.00 0.00 C ATOM 159 CG ASP A 11 3.348 10.860 -2.520 1.00 0.00 C ATOM 160 OD1 ASP A 11 3.655 9.915 -1.762 1.00 0.00 O ATOM 161 OD2 ASP A 11 4.144 11.564 -3.176 1.00 0.00 O ATOM 0 H ASP A 11 1.207 8.190 -3.246 1.00 0.00 H new ATOM 0 HA ASP A 11 1.308 9.494 -1.446 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.663 11.495 -3.682 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.629 12.037 -2.016 1.00 0.00 H new ATOM 166 N ASP A 12 -1.437 9.754 -1.836 1.00 0.00 N ATOM 167 CA ASP A 12 -2.793 10.180 -1.534 1.00 0.00 C ATOM 168 C ASP A 12 -3.143 9.776 -0.100 1.00 0.00 C ATOM 169 O ASP A 12 -3.568 10.611 0.696 1.00 0.00 O ATOM 170 CB ASP A 12 -3.801 9.514 -2.472 1.00 0.00 C ATOM 171 CG ASP A 12 -5.210 9.352 -1.898 1.00 0.00 C ATOM 172 OD1 ASP A 12 -5.971 10.342 -1.973 1.00 0.00 O ATOM 173 OD2 ASP A 12 -5.494 8.244 -1.396 1.00 0.00 O ATOM 0 H ASP A 12 -1.316 8.744 -1.916 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.843 11.262 -1.660 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.864 10.100 -3.389 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.422 8.530 -2.748 1.00 0.00 H new ATOM 178 N GLY A 13 -2.951 8.496 0.184 1.00 0.00 N ATOM 179 CA GLY A 13 -3.240 7.972 1.508 1.00 0.00 C ATOM 180 C GLY A 13 -2.341 6.778 1.833 1.00 0.00 C ATOM 181 O GLY A 13 -1.691 6.752 2.877 1.00 0.00 O ATOM 0 H GLY A 13 -2.599 7.807 -0.480 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.094 8.755 2.253 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.286 7.670 1.563 1.00 0.00 H new ATOM 185 N LYS A 14 -2.333 5.818 0.921 1.00 0.00 N ATOM 186 CA LYS A 14 -1.524 4.624 1.098 1.00 0.00 C ATOM 187 C LYS A 14 -1.697 3.711 -0.118 1.00 0.00 C ATOM 188 O LYS A 14 -2.576 3.936 -0.947 1.00 0.00 O ATOM 189 CB LYS A 14 -1.854 3.947 2.429 1.00 0.00 C ATOM 190 CG LYS A 14 -3.366 3.790 2.604 1.00 0.00 C ATOM 191 CD LYS A 14 -3.854 4.546 3.842 1.00 0.00 C ATOM 192 CE LYS A 14 -5.199 5.225 3.574 1.00 0.00 C ATOM 193 NZ LYS A 14 -5.785 5.731 4.837 1.00 0.00 N ATOM 0 H LYS A 14 -2.874 5.842 0.057 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.467 4.884 1.153 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.376 2.968 2.472 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.448 4.536 3.251 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.879 4.165 1.718 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.618 2.733 2.695 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.952 3.855 4.680 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.116 5.294 4.130 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.064 6.049 2.873 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.884 4.517 3.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.697 6.189 4.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.932 4.938 5.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.138 6.422 5.268 1.00 0.00 H new ATOM 207 N VAL A 15 -0.845 2.699 -0.183 1.00 0.00 N ATOM 208 CA VAL A 15 -0.893 1.750 -1.283 1.00 0.00 C ATOM 209 C VAL A 15 -1.954 0.688 -0.989 1.00 0.00 C ATOM 210 O VAL A 15 -1.678 -0.298 -0.308 1.00 0.00 O ATOM 211 CB VAL A 15 0.496 1.156 -1.523 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.980 0.378 -0.298 1.00 0.00 C ATOM 213 CG2 VAL A 15 0.507 0.274 -2.773 1.00 0.00 C ATOM 0 H VAL A 15 -0.117 2.515 0.508 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.182 2.251 -2.207 1.00 0.00 H new ATOM 0 HB VAL A 15 1.188 1.981 -1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.970 -0.033 -0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.030 1.047 0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.285 -0.434 -0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.506 -0.136 -2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.205 -0.542 -2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.228 0.870 -3.642 1.00 0.00 H new ATOM 223 N ASN A 16 -3.145 0.926 -1.517 1.00 0.00 N ATOM 224 CA ASN A 16 -4.249 0.002 -1.320 1.00 0.00 C ATOM 225 C ASN A 16 -4.961 -0.229 -2.655 1.00 0.00 C ATOM 226 O ASN A 16 -4.567 0.330 -3.677 1.00 0.00 O ATOM 227 CB ASN A 16 -5.271 0.567 -0.331 1.00 0.00 C ATOM 228 CG ASN A 16 -5.362 2.090 -0.447 1.00 0.00 C ATOM 229 OD1 ASN A 16 -5.293 2.662 -1.523 1.00 0.00 O ATOM 230 ND2 ASN A 16 -5.519 2.713 0.718 1.00 0.00 N ATOM 0 H ASN A 16 -3.370 1.745 -2.081 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.842 -0.929 -0.926 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.249 0.125 -0.521 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -4.989 0.292 0.685 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.589 3.730 0.747 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.569 2.173 1.582 1.00 0.00 H new ATOM 237 N SER A 17 -5.997 -1.053 -2.602 1.00 0.00 N ATOM 238 CA SER A 17 -6.767 -1.365 -3.794 1.00 0.00 C ATOM 239 C SER A 17 -7.066 -0.082 -4.573 1.00 0.00 C ATOM 240 O SER A 17 -7.238 -0.118 -5.791 1.00 0.00 O ATOM 241 CB SER A 17 -8.070 -2.083 -3.436 1.00 0.00 C ATOM 242 OG SER A 17 -9.067 -1.913 -4.440 1.00 0.00 O ATOM 0 H SER A 17 -6.321 -1.514 -1.752 1.00 0.00 H new ATOM 0 HA SER A 17 -6.175 -2.034 -4.419 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.872 -3.146 -3.298 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.444 -1.703 -2.486 1.00 0.00 H new ATOM 0 HG SER A 17 -9.883 -2.387 -4.175 1.00 0.00 H new ATOM 248 N THR A 18 -7.118 1.020 -3.840 1.00 0.00 N ATOM 249 CA THR A 18 -7.393 2.310 -4.448 1.00 0.00 C ATOM 250 C THR A 18 -6.262 2.702 -5.402 1.00 0.00 C ATOM 251 O THR A 18 -6.513 3.232 -6.483 1.00 0.00 O ATOM 252 CB THR A 18 -7.618 3.324 -3.324 1.00 0.00 C ATOM 253 OG1 THR A 18 -8.465 2.640 -2.404 1.00 0.00 O ATOM 254 CG2 THR A 18 -8.453 4.524 -3.776 1.00 0.00 C ATOM 0 H THR A 18 -6.974 1.046 -2.831 1.00 0.00 H new ATOM 0 HA THR A 18 -8.295 2.275 -5.059 1.00 0.00 H new ATOM 0 HB THR A 18 -6.655 3.672 -2.951 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.660 3.225 -1.642 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.583 5.212 -2.941 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.943 5.036 -4.592 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.429 4.180 -4.118 1.00 0.00 H new ATOM 262 N ASP A 19 -5.042 2.427 -4.966 1.00 0.00 N ATOM 263 CA ASP A 19 -3.872 2.744 -5.768 1.00 0.00 C ATOM 264 C ASP A 19 -3.499 1.530 -6.621 1.00 0.00 C ATOM 265 O ASP A 19 -2.361 1.407 -7.069 1.00 0.00 O ATOM 266 CB ASP A 19 -2.673 3.085 -4.882 1.00 0.00 C ATOM 267 CG ASP A 19 -2.764 4.431 -4.159 1.00 0.00 C ATOM 268 OD1 ASP A 19 -3.590 5.258 -4.603 1.00 0.00 O ATOM 269 OD2 ASP A 19 -2.005 4.602 -3.181 1.00 0.00 O ATOM 0 H ASP A 19 -4.838 1.988 -4.068 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.115 3.603 -6.393 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.555 2.297 -4.138 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.773 3.080 -5.497 1.00 0.00 H new ATOM 274 N ALA A 20 -4.482 0.663 -6.822 1.00 0.00 N ATOM 275 CA ALA A 20 -4.272 -0.536 -7.614 1.00 0.00 C ATOM 276 C ALA A 20 -3.841 -0.140 -9.027 1.00 0.00 C ATOM 277 O ALA A 20 -2.956 -0.766 -9.608 1.00 0.00 O ATOM 278 CB ALA A 20 -5.547 -1.382 -7.608 1.00 0.00 C ATOM 0 H ALA A 20 -5.426 0.768 -6.450 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.476 -1.144 -7.185 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.389 -2.282 -8.202 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.793 -1.662 -6.584 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.368 -0.805 -8.034 1.00 0.00 H new ATOM 284 N VAL A 21 -4.488 0.897 -9.539 1.00 0.00 N ATOM 285 CA VAL A 21 -4.183 1.384 -10.874 1.00 0.00 C ATOM 286 C VAL A 21 -2.669 1.336 -11.096 1.00 0.00 C ATOM 287 O VAL A 21 -2.204 0.845 -12.124 1.00 0.00 O ATOM 288 CB VAL A 21 -4.772 2.782 -11.068 1.00 0.00 C ATOM 289 CG1 VAL A 21 -4.204 3.446 -12.325 1.00 0.00 C ATOM 290 CG2 VAL A 21 -6.300 2.731 -11.117 1.00 0.00 C ATOM 0 H VAL A 21 -5.222 1.413 -9.054 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.642 0.745 -11.628 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.485 3.389 -10.209 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.639 4.439 -12.440 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.121 3.532 -12.233 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.447 2.840 -13.198 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.693 3.738 -11.256 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.617 2.100 -11.948 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.680 2.318 -10.183 1.00 0.00 H new ATOM 300 N ALA A 22 -1.942 1.853 -10.116 1.00 0.00 N ATOM 301 CA ALA A 22 -0.492 1.876 -10.191 1.00 0.00 C ATOM 302 C ALA A 22 0.056 0.500 -9.806 1.00 0.00 C ATOM 303 O ALA A 22 1.078 0.065 -10.335 1.00 0.00 O ATOM 304 CB ALA A 22 0.049 2.990 -9.294 1.00 0.00 C ATOM 0 H ALA A 22 -2.331 2.259 -9.265 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.164 2.089 -11.208 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.137 3.007 -9.351 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.346 3.950 -9.627 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.258 2.809 -8.264 1.00 0.00 H new ATOM 310 N LEU A 23 -0.648 -0.146 -8.889 1.00 0.00 N ATOM 311 CA LEU A 23 -0.244 -1.464 -8.426 1.00 0.00 C ATOM 312 C LEU A 23 -0.211 -2.428 -9.614 1.00 0.00 C ATOM 313 O LEU A 23 0.834 -2.995 -9.928 1.00 0.00 O ATOM 314 CB LEU A 23 -1.147 -1.929 -7.282 1.00 0.00 C ATOM 315 CG LEU A 23 -0.511 -2.890 -6.275 1.00 0.00 C ATOM 316 CD1 LEU A 23 0.120 -2.125 -5.111 1.00 0.00 C ATOM 317 CD2 LEU A 23 -1.525 -3.931 -5.795 1.00 0.00 C ATOM 0 H LEU A 23 -1.496 0.218 -8.454 1.00 0.00 H new ATOM 0 HA LEU A 23 0.764 -1.431 -8.013 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.499 -1.050 -6.743 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.025 -2.412 -7.711 1.00 0.00 H new ATOM 0 HG LEU A 23 0.291 -3.430 -6.778 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.565 -2.831 -4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.892 -1.456 -5.491 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.647 -1.542 -4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.048 -4.601 -5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.364 -3.427 -5.315 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.886 -4.507 -6.647 1.00 0.00 H new ATOM 329 N LYS A 24 -1.367 -2.584 -10.242 1.00 0.00 N ATOM 330 CA LYS A 24 -1.483 -3.469 -11.388 1.00 0.00 C ATOM 331 C LYS A 24 -0.400 -3.118 -12.410 1.00 0.00 C ATOM 332 O LYS A 24 0.102 -3.993 -13.112 1.00 0.00 O ATOM 333 CB LYS A 24 -2.903 -3.426 -11.956 1.00 0.00 C ATOM 334 CG LYS A 24 -3.106 -4.521 -13.007 1.00 0.00 C ATOM 335 CD LYS A 24 -3.508 -3.918 -14.355 1.00 0.00 C ATOM 336 CE LYS A 24 -3.823 -5.015 -15.374 1.00 0.00 C ATOM 337 NZ LYS A 24 -4.856 -4.555 -16.329 1.00 0.00 N ATOM 0 H LYS A 24 -2.232 -2.112 -9.979 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.315 -4.504 -11.089 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.625 -3.552 -11.149 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.091 -2.449 -12.402 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.187 -5.096 -13.121 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.876 -5.215 -12.671 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.379 -3.276 -14.225 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.702 -3.288 -14.731 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.917 -5.289 -15.914 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.170 -5.910 -14.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.058 -5.312 -17.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.726 -4.316 -15.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.512 -3.714 -16.834 1.00 0.00 H new ATOM 351 N ARG A 25 -0.073 -1.835 -12.461 1.00 0.00 N ATOM 352 CA ARG A 25 0.941 -1.357 -13.385 1.00 0.00 C ATOM 353 C ARG A 25 2.339 -1.658 -12.842 1.00 0.00 C ATOM 354 O ARG A 25 3.272 -1.886 -13.611 1.00 0.00 O ATOM 355 CB ARG A 25 0.806 0.149 -13.619 1.00 0.00 C ATOM 356 CG ARG A 25 0.622 0.457 -15.107 1.00 0.00 C ATOM 357 CD ARG A 25 -0.473 1.504 -15.318 1.00 0.00 C ATOM 358 NE ARG A 25 -0.010 2.537 -16.271 1.00 0.00 N ATOM 359 CZ ARG A 25 -0.107 2.429 -17.603 1.00 0.00 C ATOM 360 NH1 ARG A 25 -0.651 1.333 -18.148 1.00 0.00 N ATOM 361 NH2 ARG A 25 0.341 3.417 -18.390 1.00 0.00 N ATOM 0 H ARG A 25 -0.493 -1.112 -11.877 1.00 0.00 H new ATOM 0 HA ARG A 25 0.797 -1.876 -14.333 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.045 0.534 -13.056 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.693 0.660 -13.245 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.561 0.818 -15.526 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.364 -0.457 -15.642 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.376 1.026 -15.698 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.733 1.967 -14.366 1.00 0.00 H new ATOM 0 HE ARG A 25 0.410 3.385 -15.890 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.991 0.581 -17.549 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.725 1.251 -19.162 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.756 4.251 -17.975 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.267 3.335 -19.404 1.00 0.00 H new ATOM 375 N TYR A 26 2.440 -1.651 -11.521 1.00 0.00 N ATOM 376 CA TYR A 26 3.709 -1.922 -10.866 1.00 0.00 C ATOM 377 C TYR A 26 3.977 -3.425 -10.791 1.00 0.00 C ATOM 378 O TYR A 26 5.130 -3.854 -10.779 1.00 0.00 O ATOM 379 CB TYR A 26 3.577 -1.367 -9.446 1.00 0.00 C ATOM 380 CG TYR A 26 4.880 -1.390 -8.645 1.00 0.00 C ATOM 381 CD1 TYR A 26 5.369 -2.585 -8.158 1.00 0.00 C ATOM 382 CD2 TYR A 26 5.566 -0.216 -8.411 1.00 0.00 C ATOM 383 CE1 TYR A 26 6.596 -2.606 -7.404 1.00 0.00 C ATOM 384 CE2 TYR A 26 6.794 -0.237 -7.658 1.00 0.00 C ATOM 385 CZ TYR A 26 7.248 -1.431 -7.191 1.00 0.00 C ATOM 386 OH TYR A 26 8.406 -1.452 -6.480 1.00 0.00 O ATOM 0 H TYR A 26 1.664 -1.462 -10.886 1.00 0.00 H new ATOM 0 HA TYR A 26 4.531 -1.467 -11.418 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.214 -0.341 -9.500 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.823 -1.944 -8.910 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.832 -3.504 -8.342 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.182 0.719 -8.792 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.990 -3.534 -7.016 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.342 0.674 -7.469 1.00 0.00 H new ATOM 0 HH TYR A 26 8.252 -1.068 -5.592 1.00 0.00 H new ATOM 396 N VAL A 27 2.893 -4.186 -10.740 1.00 0.00 N ATOM 397 CA VAL A 27 2.997 -5.633 -10.665 1.00 0.00 C ATOM 398 C VAL A 27 3.320 -6.189 -12.054 1.00 0.00 C ATOM 399 O VAL A 27 4.171 -7.066 -12.193 1.00 0.00 O ATOM 400 CB VAL A 27 1.716 -6.221 -10.069 1.00 0.00 C ATOM 401 CG1 VAL A 27 1.897 -7.702 -9.732 1.00 0.00 C ATOM 402 CG2 VAL A 27 1.272 -5.427 -8.838 1.00 0.00 C ATOM 0 H VAL A 27 1.938 -3.827 -10.749 1.00 0.00 H new ATOM 0 HA VAL A 27 3.811 -5.923 -10.000 1.00 0.00 H new ATOM 0 HB VAL A 27 0.930 -6.144 -10.820 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.972 -8.095 -9.310 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.145 -8.254 -10.639 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.703 -7.814 -9.007 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.360 -5.864 -8.433 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.057 -5.459 -8.082 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.083 -4.392 -9.122 1.00 0.00 H new ATOM 412 N LEU A 28 2.621 -5.657 -13.046 1.00 0.00 N ATOM 413 CA LEU A 28 2.822 -6.089 -14.419 1.00 0.00 C ATOM 414 C LEU A 28 3.906 -5.226 -15.067 1.00 0.00 C ATOM 415 O LEU A 28 4.240 -5.417 -16.236 1.00 0.00 O ATOM 416 CB LEU A 28 1.495 -6.086 -15.181 1.00 0.00 C ATOM 417 CG LEU A 28 0.954 -7.457 -15.591 1.00 0.00 C ATOM 418 CD1 LEU A 28 1.854 -8.110 -16.641 1.00 0.00 C ATOM 419 CD2 LEU A 28 0.754 -8.355 -14.369 1.00 0.00 C ATOM 0 H LEU A 28 1.915 -4.931 -12.926 1.00 0.00 H new ATOM 0 HA LEU A 28 3.176 -7.119 -14.447 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.745 -5.592 -14.563 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.616 -5.482 -16.080 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.025 -7.315 -16.050 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.447 -9.083 -16.915 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.901 -7.475 -17.525 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.856 -8.238 -16.232 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.369 -9.323 -14.688 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.708 -8.494 -13.860 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.043 -7.889 -13.687 1.00 0.00 H new ATOM 431 N ARG A 29 4.425 -4.295 -14.280 1.00 0.00 N ATOM 432 CA ARG A 29 5.464 -3.401 -14.763 1.00 0.00 C ATOM 433 C ARG A 29 4.867 -2.350 -15.702 1.00 0.00 C ATOM 434 O ARG A 29 3.827 -2.581 -16.316 1.00 0.00 O ATOM 435 CB ARG A 29 6.556 -4.175 -15.504 1.00 0.00 C ATOM 436 CG ARG A 29 7.814 -3.323 -15.674 1.00 0.00 C ATOM 437 CD ARG A 29 8.506 -3.092 -14.330 1.00 0.00 C ATOM 438 NE ARG A 29 9.965 -3.301 -14.468 1.00 0.00 N ATOM 439 CZ ARG A 29 10.855 -3.058 -13.497 1.00 0.00 C ATOM 440 NH1 ARG A 29 10.441 -2.595 -12.309 1.00 0.00 N ATOM 441 NH2 ARG A 29 12.159 -3.277 -13.711 1.00 0.00 N ATOM 0 H ARG A 29 4.146 -4.140 -13.311 1.00 0.00 H new ATOM 0 HA ARG A 29 5.907 -2.909 -13.897 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.800 -5.084 -14.953 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.187 -4.484 -16.482 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.502 -3.817 -16.361 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.550 -2.364 -16.121 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.307 -2.079 -13.979 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.102 -3.774 -13.582 1.00 0.00 H new ATOM 0 HE ARG A 29 10.315 -3.652 -15.359 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.448 -2.428 -12.145 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.119 -2.410 -11.569 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.475 -3.629 -14.614 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.836 -3.091 -12.971 1.00 0.00 H new ATOM 455 N SER A 30 5.552 -1.219 -15.784 1.00 0.00 N ATOM 456 CA SER A 30 5.103 -0.132 -16.637 1.00 0.00 C ATOM 457 C SER A 30 5.820 1.164 -16.256 1.00 0.00 C ATOM 458 O SER A 30 6.331 1.291 -15.143 1.00 0.00 O ATOM 459 CB SER A 30 3.587 0.052 -16.542 1.00 0.00 C ATOM 460 OG SER A 30 2.920 -0.391 -17.720 1.00 0.00 O ATOM 0 H SER A 30 6.415 -1.032 -15.273 1.00 0.00 H new ATOM 0 HA SER A 30 5.348 -0.384 -17.669 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.208 -0.500 -15.682 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.360 1.104 -16.371 1.00 0.00 H new ATOM 0 HG SER A 30 2.912 -1.371 -17.743 1.00 0.00 H new ATOM 466 N GLY A 31 5.837 2.094 -17.200 1.00 0.00 N ATOM 467 CA GLY A 31 6.484 3.376 -16.976 1.00 0.00 C ATOM 468 C GLY A 31 5.714 4.206 -15.947 1.00 0.00 C ATOM 469 O GLY A 31 5.269 5.313 -16.245 1.00 0.00 O ATOM 0 H GLY A 31 5.413 1.985 -18.121 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.505 3.216 -16.629 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.548 3.924 -17.916 1.00 0.00 H new ATOM 473 N ILE A 32 5.581 3.639 -14.757 1.00 0.00 N ATOM 474 CA ILE A 32 4.873 4.313 -13.682 1.00 0.00 C ATOM 475 C ILE A 32 5.852 4.623 -12.547 1.00 0.00 C ATOM 476 O ILE A 32 6.855 3.930 -12.381 1.00 0.00 O ATOM 477 CB ILE A 32 3.661 3.491 -13.241 1.00 0.00 C ATOM 478 CG1 ILE A 32 2.575 4.390 -12.645 1.00 0.00 C ATOM 479 CG2 ILE A 32 4.075 2.378 -12.277 1.00 0.00 C ATOM 480 CD1 ILE A 32 1.548 3.567 -11.865 1.00 0.00 C ATOM 0 H ILE A 32 5.952 2.720 -14.514 1.00 0.00 H new ATOM 0 HA ILE A 32 4.474 5.266 -14.028 1.00 0.00 H new ATOM 0 HB ILE A 32 3.235 3.012 -14.123 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.031 5.128 -11.986 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.075 4.940 -13.442 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.195 1.809 -11.979 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.786 1.715 -12.770 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.540 2.816 -11.394 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.788 4.230 -11.452 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.077 2.846 -12.533 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.047 3.037 -11.053 1.00 0.00 H new ATOM 492 N SER A 33 5.527 5.665 -11.796 1.00 0.00 N ATOM 493 CA SER A 33 6.365 6.075 -10.682 1.00 0.00 C ATOM 494 C SER A 33 5.534 6.145 -9.401 1.00 0.00 C ATOM 495 O SER A 33 4.501 6.813 -9.361 1.00 0.00 O ATOM 496 CB SER A 33 7.029 7.425 -10.960 1.00 0.00 C ATOM 497 OG SER A 33 8.397 7.281 -11.332 1.00 0.00 O ATOM 0 H SER A 33 4.695 6.238 -11.937 1.00 0.00 H new ATOM 0 HA SER A 33 7.153 5.333 -10.555 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.489 7.937 -11.756 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.959 8.053 -10.072 1.00 0.00 H new ATOM 0 HG SER A 33 8.784 8.165 -11.503 1.00 0.00 H new ATOM 503 N ILE A 34 6.014 5.447 -8.381 1.00 0.00 N ATOM 504 CA ILE A 34 5.329 5.422 -7.101 1.00 0.00 C ATOM 505 C ILE A 34 6.361 5.475 -5.974 1.00 0.00 C ATOM 506 O ILE A 34 7.564 5.467 -6.228 1.00 0.00 O ATOM 507 CB ILE A 34 4.389 4.217 -7.020 1.00 0.00 C ATOM 508 CG1 ILE A 34 5.176 2.924 -6.798 1.00 0.00 C ATOM 509 CG2 ILE A 34 3.492 4.138 -8.256 1.00 0.00 C ATOM 510 CD1 ILE A 34 4.438 1.992 -5.833 1.00 0.00 C ATOM 0 H ILE A 34 6.870 4.894 -8.416 1.00 0.00 H new ATOM 0 HA ILE A 34 4.693 6.300 -6.992 1.00 0.00 H new ATOM 0 HB ILE A 34 3.736 4.349 -6.157 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.329 2.419 -7.752 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.163 3.159 -6.399 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.834 3.273 -8.173 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.892 5.045 -8.329 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.110 4.040 -9.148 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.019 1.080 -5.692 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.308 2.491 -4.873 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.461 1.740 -6.246 1.00 0.00 H new ATOM 522 N ASN A 35 5.852 5.527 -4.750 1.00 0.00 N ATOM 523 CA ASN A 35 6.716 5.581 -3.584 1.00 0.00 C ATOM 524 C ASN A 35 6.887 4.171 -3.016 1.00 0.00 C ATOM 525 O ASN A 35 6.422 3.879 -1.915 1.00 0.00 O ATOM 526 CB ASN A 35 6.108 6.460 -2.488 1.00 0.00 C ATOM 527 CG ASN A 35 5.332 7.633 -3.095 1.00 0.00 C ATOM 528 OD1 ASN A 35 5.830 8.739 -3.221 1.00 0.00 O ATOM 529 ND2 ASN A 35 4.091 7.329 -3.460 1.00 0.00 N ATOM 0 H ASN A 35 4.853 5.533 -4.542 1.00 0.00 H new ATOM 0 HA ASN A 35 7.674 6.000 -3.893 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.443 5.863 -1.865 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.898 6.838 -1.840 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.492 8.043 -3.875 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.737 6.382 -3.326 1.00 0.00 H new ATOM 536 N THR A 36 7.555 3.332 -3.793 1.00 0.00 N ATOM 537 CA THR A 36 7.794 1.958 -3.381 1.00 0.00 C ATOM 538 C THR A 36 8.760 1.917 -2.195 1.00 0.00 C ATOM 539 O THR A 36 8.998 0.856 -1.620 1.00 0.00 O ATOM 540 CB THR A 36 8.294 1.179 -4.599 1.00 0.00 C ATOM 541 OG1 THR A 36 8.586 -0.117 -4.087 1.00 0.00 O ATOM 542 CG2 THR A 36 9.644 1.691 -5.108 1.00 0.00 C ATOM 0 H THR A 36 7.939 3.576 -4.706 1.00 0.00 H new ATOM 0 HA THR A 36 6.877 1.486 -3.029 1.00 0.00 H new ATOM 0 HB THR A 36 7.556 1.244 -5.398 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.633 -0.079 -3.109 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.953 1.104 -5.973 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.551 2.739 -5.395 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.390 1.595 -4.319 1.00 0.00 H new ATOM 550 N ASP A 37 9.290 3.086 -1.864 1.00 0.00 N ATOM 551 CA ASP A 37 10.225 3.196 -0.757 1.00 0.00 C ATOM 552 C ASP A 37 9.658 2.460 0.458 1.00 0.00 C ATOM 553 O ASP A 37 10.108 1.365 0.791 1.00 0.00 O ATOM 554 CB ASP A 37 10.444 4.658 -0.365 1.00 0.00 C ATOM 555 CG ASP A 37 11.789 5.248 -0.793 1.00 0.00 C ATOM 556 OD1 ASP A 37 12.046 5.249 -2.016 1.00 0.00 O ATOM 557 OD2 ASP A 37 12.531 5.684 0.113 1.00 0.00 O ATOM 0 H ASP A 37 9.090 3.964 -2.343 1.00 0.00 H new ATOM 0 HA ASP A 37 11.174 2.761 -1.072 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.646 5.259 -0.801 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.354 4.746 0.718 1.00 0.00 H new ATOM 562 N ASN A 38 8.679 3.092 1.089 1.00 0.00 N ATOM 563 CA ASN A 38 8.047 2.512 2.260 1.00 0.00 C ATOM 564 C ASN A 38 6.694 1.916 1.863 1.00 0.00 C ATOM 565 O ASN A 38 5.717 2.039 2.598 1.00 0.00 O ATOM 566 CB ASN A 38 7.798 3.572 3.335 1.00 0.00 C ATOM 567 CG ASN A 38 7.310 4.881 2.711 1.00 0.00 C ATOM 568 OD1 ASN A 38 7.874 5.392 1.758 1.00 0.00 O ATOM 569 ND2 ASN A 38 6.232 5.391 3.299 1.00 0.00 N ATOM 0 H ASN A 38 8.308 4.001 0.810 1.00 0.00 H new ATOM 0 HA ASN A 38 8.713 1.746 2.656 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.058 3.206 4.047 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.717 3.751 3.894 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.828 6.262 2.955 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.809 4.911 4.094 1.00 0.00 H new ATOM 576 N ALA A 39 6.682 1.283 0.699 1.00 0.00 N ATOM 577 CA ALA A 39 5.466 0.668 0.194 1.00 0.00 C ATOM 578 C ALA A 39 5.217 -0.645 0.938 1.00 0.00 C ATOM 579 O ALA A 39 4.553 -0.660 1.973 1.00 0.00 O ATOM 580 CB ALA A 39 5.585 0.468 -1.319 1.00 0.00 C ATOM 0 H ALA A 39 7.495 1.183 0.091 1.00 0.00 H new ATOM 0 HA ALA A 39 4.607 1.315 0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.673 0.007 -1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.732 1.433 -1.803 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.435 -0.179 -1.535 1.00 0.00 H new ATOM 586 N ASP A 40 5.763 -1.716 0.382 1.00 0.00 N ATOM 587 CA ASP A 40 5.609 -3.032 0.979 1.00 0.00 C ATOM 588 C ASP A 40 6.588 -3.175 2.146 1.00 0.00 C ATOM 589 O ASP A 40 7.543 -2.407 2.258 1.00 0.00 O ATOM 590 CB ASP A 40 5.915 -4.137 -0.033 1.00 0.00 C ATOM 591 CG ASP A 40 6.401 -5.455 0.574 1.00 0.00 C ATOM 592 OD1 ASP A 40 5.536 -6.193 1.095 1.00 0.00 O ATOM 593 OD2 ASP A 40 7.625 -5.694 0.504 1.00 0.00 O ATOM 0 H ASP A 40 6.313 -1.700 -0.477 1.00 0.00 H new ATOM 0 HA ASP A 40 4.577 -3.130 1.317 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.016 -4.333 -0.617 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.672 -3.773 -0.727 1.00 0.00 H new ATOM 598 N LEU A 41 6.318 -4.164 2.986 1.00 0.00 N ATOM 599 CA LEU A 41 7.164 -4.418 4.140 1.00 0.00 C ATOM 600 C LEU A 41 7.448 -5.917 4.238 1.00 0.00 C ATOM 601 O LEU A 41 7.322 -6.509 5.310 1.00 0.00 O ATOM 602 CB LEU A 41 6.537 -3.826 5.404 1.00 0.00 C ATOM 603 CG LEU A 41 5.909 -2.439 5.256 1.00 0.00 C ATOM 604 CD1 LEU A 41 6.878 -1.468 4.580 1.00 0.00 C ATOM 605 CD2 LEU A 41 4.570 -2.518 4.519 1.00 0.00 C ATOM 0 H LEU A 41 5.525 -4.799 2.890 1.00 0.00 H new ATOM 0 HA LEU A 41 8.126 -3.918 4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.770 -4.514 5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.304 -3.775 6.176 1.00 0.00 H new ATOM 0 HG LEU A 41 5.705 -2.049 6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.407 -0.490 4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.783 -1.379 5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.136 -1.842 3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.145 -1.518 4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.726 -2.938 3.525 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.884 -3.154 5.078 1.00 0.00 H new ATOM 617 N ASN A 42 7.827 -6.492 3.106 1.00 0.00 N ATOM 618 CA ASN A 42 8.130 -7.912 3.051 1.00 0.00 C ATOM 619 C ASN A 42 8.881 -8.218 1.753 1.00 0.00 C ATOM 620 O ASN A 42 8.745 -9.306 1.196 1.00 0.00 O ATOM 621 CB ASN A 42 6.849 -8.749 3.065 1.00 0.00 C ATOM 622 CG ASN A 42 5.717 -8.006 3.777 1.00 0.00 C ATOM 623 OD1 ASN A 42 5.031 -7.175 3.206 1.00 0.00 O ATOM 624 ND2 ASN A 42 5.559 -8.352 5.050 1.00 0.00 N ATOM 0 H ASN A 42 7.931 -6.000 2.219 1.00 0.00 H new ATOM 0 HA ASN A 42 8.734 -8.163 3.923 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.550 -8.981 2.043 1.00 0.00 H new ATOM 0 HB3 ASN A 42 7.036 -9.699 3.565 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.828 -7.914 5.611 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.169 -9.056 5.467 1.00 0.00 H new ATOM 631 N GLU A 43 9.656 -7.239 1.310 1.00 0.00 N ATOM 632 CA GLU A 43 10.429 -7.391 0.089 1.00 0.00 C ATOM 633 C GLU A 43 9.553 -7.969 -1.025 1.00 0.00 C ATOM 634 O GLU A 43 9.962 -8.894 -1.724 1.00 0.00 O ATOM 635 CB GLU A 43 11.662 -8.265 0.326 1.00 0.00 C ATOM 636 CG GLU A 43 12.931 -7.568 -0.167 1.00 0.00 C ATOM 637 CD GLU A 43 14.066 -8.573 -0.372 1.00 0.00 C ATOM 638 OE1 GLU A 43 13.911 -9.430 -1.268 1.00 0.00 O ATOM 639 OE2 GLU A 43 15.064 -8.462 0.374 1.00 0.00 O ATOM 0 H GLU A 43 9.765 -6.338 1.775 1.00 0.00 H new ATOM 0 HA GLU A 43 10.777 -6.406 -0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.755 -8.488 1.389 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.542 -9.217 -0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.725 -7.051 -1.104 1.00 0.00 H new ATOM 0 HG3 GLU A 43 13.237 -6.811 0.554 1.00 0.00 H new ATOM 646 N ASP A 44 8.364 -7.399 -1.155 1.00 0.00 N ATOM 647 CA ASP A 44 7.427 -7.844 -2.171 1.00 0.00 C ATOM 648 C ASP A 44 7.218 -6.725 -3.193 1.00 0.00 C ATOM 649 O ASP A 44 7.069 -6.988 -4.386 1.00 0.00 O ATOM 650 CB ASP A 44 6.068 -8.184 -1.557 1.00 0.00 C ATOM 651 CG ASP A 44 6.108 -9.212 -0.425 1.00 0.00 C ATOM 652 OD1 ASP A 44 7.089 -9.987 -0.396 1.00 0.00 O ATOM 653 OD2 ASP A 44 5.157 -9.200 0.387 1.00 0.00 O ATOM 0 H ASP A 44 8.028 -6.632 -0.572 1.00 0.00 H new ATOM 0 HA ASP A 44 7.842 -8.734 -2.644 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.618 -7.266 -1.178 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.414 -8.559 -2.345 1.00 0.00 H new ATOM 658 N GLY A 45 7.214 -5.500 -2.689 1.00 0.00 N ATOM 659 CA GLY A 45 7.026 -4.339 -3.542 1.00 0.00 C ATOM 660 C GLY A 45 5.944 -3.415 -2.980 1.00 0.00 C ATOM 661 O GLY A 45 6.224 -2.272 -2.625 1.00 0.00 O ATOM 0 H GLY A 45 7.338 -5.286 -1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.965 -3.793 -3.631 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.748 -4.662 -4.545 1.00 0.00 H new ATOM 665 N ARG A 46 4.732 -3.946 -2.919 1.00 0.00 N ATOM 666 CA ARG A 46 3.606 -3.182 -2.406 1.00 0.00 C ATOM 667 C ARG A 46 2.639 -4.101 -1.659 1.00 0.00 C ATOM 668 O ARG A 46 2.822 -4.368 -0.471 1.00 0.00 O ATOM 669 CB ARG A 46 2.857 -2.477 -3.539 1.00 0.00 C ATOM 670 CG ARG A 46 3.687 -1.328 -4.113 1.00 0.00 C ATOM 671 CD ARG A 46 4.117 -1.627 -5.551 1.00 0.00 C ATOM 672 NE ARG A 46 4.660 -3.000 -5.642 1.00 0.00 N ATOM 673 CZ ARG A 46 3.960 -4.057 -6.078 1.00 0.00 C ATOM 674 NH1 ARG A 46 2.687 -3.904 -6.466 1.00 0.00 N ATOM 675 NH2 ARG A 46 4.535 -5.267 -6.126 1.00 0.00 N ATOM 0 H ARG A 46 4.504 -4.895 -3.216 1.00 0.00 H new ATOM 0 HA ARG A 46 3.999 -2.429 -1.722 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.626 -3.193 -4.328 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.906 -2.094 -3.168 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.105 -0.407 -4.088 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.568 -1.166 -3.492 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.266 -1.518 -6.224 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.870 -0.907 -5.871 1.00 0.00 H new ATOM 0 HE ARG A 46 5.627 -3.152 -5.355 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.250 -2.983 -6.430 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.155 -4.708 -6.798 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.504 -5.383 -5.831 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.003 -6.072 -6.458 1.00 0.00 H new ATOM 689 N VAL A 47 1.628 -4.559 -2.382 1.00 0.00 N ATOM 690 CA VAL A 47 0.631 -5.443 -1.802 1.00 0.00 C ATOM 691 C VAL A 47 0.364 -6.604 -2.762 1.00 0.00 C ATOM 692 O VAL A 47 -0.429 -6.473 -3.694 1.00 0.00 O ATOM 693 CB VAL A 47 -0.631 -4.651 -1.456 1.00 0.00 C ATOM 694 CG1 VAL A 47 -0.315 -3.514 -0.482 1.00 0.00 C ATOM 695 CG2 VAL A 47 -1.308 -4.118 -2.720 1.00 0.00 C ATOM 0 H VAL A 47 1.478 -4.334 -3.365 1.00 0.00 H new ATOM 0 HA VAL A 47 0.997 -5.871 -0.869 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.328 -5.330 -0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.229 -2.967 -0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.101 -3.927 0.437 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.409 -2.837 -0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.202 -3.559 -2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.619 -3.462 -3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.585 -4.953 -3.364 1.00 0.00 H new ATOM 705 N ASN A 48 1.041 -7.713 -2.502 1.00 0.00 N ATOM 706 CA ASN A 48 0.887 -8.895 -3.331 1.00 0.00 C ATOM 707 C ASN A 48 -0.362 -9.663 -2.890 1.00 0.00 C ATOM 708 O ASN A 48 -1.061 -10.245 -3.717 1.00 0.00 O ATOM 709 CB ASN A 48 2.090 -9.829 -3.188 1.00 0.00 C ATOM 710 CG ASN A 48 2.987 -9.760 -4.424 1.00 0.00 C ATOM 711 OD1 ASN A 48 3.328 -10.762 -5.033 1.00 0.00 O ATOM 712 ND2 ASN A 48 3.352 -8.526 -4.760 1.00 0.00 N ATOM 0 H ASN A 48 1.698 -7.817 -1.728 1.00 0.00 H new ATOM 0 HA ASN A 48 0.803 -8.570 -4.368 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.664 -9.556 -2.302 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.745 -10.852 -3.041 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.953 -8.375 -5.570 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.031 -7.731 -4.207 1.00 0.00 H new ATOM 719 N SER A 49 -0.604 -9.638 -1.588 1.00 0.00 N ATOM 720 CA SER A 49 -1.756 -10.324 -1.027 1.00 0.00 C ATOM 721 C SER A 49 -1.641 -10.379 0.497 1.00 0.00 C ATOM 722 O SER A 49 -2.650 -10.353 1.200 1.00 0.00 O ATOM 723 CB SER A 49 -1.889 -11.736 -1.601 1.00 0.00 C ATOM 724 OG SER A 49 -2.931 -11.823 -2.569 1.00 0.00 O ATOM 0 H SER A 49 -0.022 -9.153 -0.905 1.00 0.00 H new ATOM 0 HA SER A 49 -2.652 -9.765 -1.297 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.945 -12.032 -2.057 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.086 -12.439 -0.792 1.00 0.00 H new ATOM 0 HG SER A 49 -2.673 -11.325 -3.373 1.00 0.00 H new ATOM 730 N THR A 50 -0.403 -10.455 0.964 1.00 0.00 N ATOM 731 CA THR A 50 -0.144 -10.515 2.392 1.00 0.00 C ATOM 732 C THR A 50 -0.272 -9.124 3.015 1.00 0.00 C ATOM 733 O THR A 50 -0.772 -8.982 4.130 1.00 0.00 O ATOM 734 CB THR A 50 1.234 -11.148 2.596 1.00 0.00 C ATOM 735 OG1 THR A 50 1.057 -12.503 2.192 1.00 0.00 O ATOM 736 CG2 THR A 50 1.619 -11.246 4.074 1.00 0.00 C ATOM 0 H THR A 50 0.432 -10.476 0.378 1.00 0.00 H new ATOM 0 HA THR A 50 -0.881 -11.135 2.903 1.00 0.00 H new ATOM 0 HB THR A 50 1.985 -10.564 2.063 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.903 -12.987 2.290 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.605 -11.702 4.164 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.640 -10.248 4.512 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.887 -11.858 4.601 1.00 0.00 H new ATOM 744 N ASP A 51 0.190 -8.130 2.269 1.00 0.00 N ATOM 745 CA ASP A 51 0.133 -6.755 2.734 1.00 0.00 C ATOM 746 C ASP A 51 -1.275 -6.203 2.510 1.00 0.00 C ATOM 747 O ASP A 51 -1.880 -5.645 3.424 1.00 0.00 O ATOM 748 CB ASP A 51 1.116 -5.871 1.963 1.00 0.00 C ATOM 749 CG ASP A 51 2.437 -5.592 2.682 1.00 0.00 C ATOM 750 OD1 ASP A 51 2.808 -6.429 3.533 1.00 0.00 O ATOM 751 OD2 ASP A 51 3.046 -4.548 2.366 1.00 0.00 O ATOM 0 H ASP A 51 0.606 -8.251 1.345 1.00 0.00 H new ATOM 0 HA ASP A 51 0.394 -6.746 3.792 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.334 -6.345 1.006 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.631 -4.920 1.744 1.00 0.00 H new ATOM 756 N LEU A 52 -1.758 -6.378 1.288 1.00 0.00 N ATOM 757 CA LEU A 52 -3.084 -5.903 0.932 1.00 0.00 C ATOM 758 C LEU A 52 -4.035 -6.134 2.107 1.00 0.00 C ATOM 759 O LEU A 52 -4.812 -5.250 2.465 1.00 0.00 O ATOM 760 CB LEU A 52 -3.551 -6.549 -0.374 1.00 0.00 C ATOM 761 CG LEU A 52 -4.939 -7.193 -0.345 1.00 0.00 C ATOM 762 CD1 LEU A 52 -6.036 -6.127 -0.327 1.00 0.00 C ATOM 763 CD2 LEU A 52 -5.112 -8.174 -1.507 1.00 0.00 C ATOM 0 H LEU A 52 -1.254 -6.842 0.532 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.067 -4.830 0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.541 -5.790 -1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.825 -7.310 -0.660 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.031 -7.767 0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.013 -6.610 -0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.922 -5.502 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.956 -5.508 -1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.107 -8.618 -1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.992 -7.644 -2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.360 -8.960 -1.435 1.00 0.00 H new ATOM 775 N GLY A 53 -3.945 -7.328 2.675 1.00 0.00 N ATOM 776 CA GLY A 53 -4.788 -7.687 3.803 1.00 0.00 C ATOM 777 C GLY A 53 -4.560 -6.739 4.982 1.00 0.00 C ATOM 778 O GLY A 53 -5.493 -6.088 5.448 1.00 0.00 O ATOM 0 H GLY A 53 -3.301 -8.060 2.375 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.836 -7.655 3.503 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.575 -8.711 4.109 1.00 0.00 H new ATOM 782 N ILE A 54 -3.314 -6.691 5.428 1.00 0.00 N ATOM 783 CA ILE A 54 -2.951 -5.834 6.544 1.00 0.00 C ATOM 784 C ILE A 54 -3.267 -4.380 6.188 1.00 0.00 C ATOM 785 O ILE A 54 -3.819 -3.643 7.004 1.00 0.00 O ATOM 786 CB ILE A 54 -1.493 -6.066 6.946 1.00 0.00 C ATOM 787 CG1 ILE A 54 -1.395 -6.561 8.391 1.00 0.00 C ATOM 788 CG2 ILE A 54 -0.654 -4.809 6.713 1.00 0.00 C ATOM 789 CD1 ILE A 54 -1.746 -5.446 9.378 1.00 0.00 C ATOM 0 H ILE A 54 -2.543 -7.232 5.037 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.543 -6.083 7.424 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.083 -6.849 6.309 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.069 -7.405 8.536 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.385 -6.921 8.588 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.378 -5.001 7.007 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.687 -4.540 5.657 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.054 -3.989 7.309 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.668 -5.825 10.397 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.055 -4.613 9.247 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.765 -5.105 9.194 1.00 0.00 H new ATOM 801 N LEU A 55 -2.903 -4.010 4.968 1.00 0.00 N ATOM 802 CA LEU A 55 -3.141 -2.658 4.495 1.00 0.00 C ATOM 803 C LEU A 55 -4.646 -2.377 4.501 1.00 0.00 C ATOM 804 O LEU A 55 -5.106 -1.453 5.170 1.00 0.00 O ATOM 805 CB LEU A 55 -2.482 -2.444 3.131 1.00 0.00 C ATOM 806 CG LEU A 55 -1.066 -1.863 3.154 1.00 0.00 C ATOM 807 CD1 LEU A 55 -0.020 -2.959 2.947 1.00 0.00 C ATOM 808 CD2 LEU A 55 -0.922 -0.732 2.133 1.00 0.00 C ATOM 0 H LEU A 55 -2.445 -4.624 4.294 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.678 -1.933 5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.452 -3.401 2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.116 -1.780 2.543 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.889 -1.432 4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.977 -2.519 2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.106 -3.699 3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.184 -3.441 1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.093 -0.336 2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.126 -1.116 1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.630 0.063 2.368 1.00 0.00 H new ATOM 820 N LYS A 56 -5.370 -3.192 3.748 1.00 0.00 N ATOM 821 CA LYS A 56 -6.812 -3.042 3.658 1.00 0.00 C ATOM 822 C LYS A 56 -7.424 -3.192 5.053 1.00 0.00 C ATOM 823 O LYS A 56 -8.639 -3.079 5.218 1.00 0.00 O ATOM 824 CB LYS A 56 -7.389 -4.013 2.626 1.00 0.00 C ATOM 825 CG LYS A 56 -7.678 -5.376 3.257 1.00 0.00 C ATOM 826 CD LYS A 56 -9.184 -5.610 3.392 1.00 0.00 C ATOM 827 CE LYS A 56 -9.556 -5.968 4.832 1.00 0.00 C ATOM 828 NZ LYS A 56 -11.015 -5.837 5.039 1.00 0.00 N ATOM 0 H LYS A 56 -4.985 -3.958 3.195 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.069 -2.045 3.302 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.307 -3.601 2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.687 -4.132 1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.237 -6.164 2.646 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.208 -5.433 4.239 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.724 -4.714 3.085 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.492 -6.413 2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.242 -6.988 5.052 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.025 -5.315 5.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.250 -6.084 6.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.306 -4.857 4.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.516 -6.478 4.392 1.00 0.00 H new ATOM 842 N ARG A 57 -6.556 -3.446 6.021 1.00 0.00 N ATOM 843 CA ARG A 57 -6.996 -3.613 7.395 1.00 0.00 C ATOM 844 C ARG A 57 -6.952 -2.273 8.133 1.00 0.00 C ATOM 845 O ARG A 57 -7.947 -1.851 8.721 1.00 0.00 O ATOM 846 CB ARG A 57 -6.118 -4.624 8.135 1.00 0.00 C ATOM 847 CG ARG A 57 -6.970 -5.704 8.805 1.00 0.00 C ATOM 848 CD ARG A 57 -7.341 -5.301 10.234 1.00 0.00 C ATOM 849 NE ARG A 57 -7.072 -6.423 11.161 1.00 0.00 N ATOM 850 CZ ARG A 57 -7.578 -6.511 12.399 1.00 0.00 C ATOM 851 NH1 ARG A 57 -8.380 -5.545 12.865 1.00 0.00 N ATOM 852 NH2 ARG A 57 -7.279 -7.564 13.171 1.00 0.00 N ATOM 0 H ARG A 57 -5.550 -3.540 5.881 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.020 -3.986 7.373 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.422 -5.087 7.436 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.520 -4.110 8.887 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.877 -5.870 8.223 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.423 -6.647 8.819 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.767 -4.424 10.534 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.394 -5.024 10.281 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.464 -7.176 10.838 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.606 -4.742 12.278 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.765 -5.612 13.807 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.666 -8.299 12.817 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.664 -7.631 14.113 1.00 0.00 H new ATOM 866 N TYR A 58 -5.788 -1.642 8.079 1.00 0.00 N ATOM 867 CA TYR A 58 -5.602 -0.359 8.736 1.00 0.00 C ATOM 868 C TYR A 58 -5.911 0.795 7.780 1.00 0.00 C ATOM 869 O TYR A 58 -6.417 1.835 8.201 1.00 0.00 O ATOM 870 CB TYR A 58 -4.124 -0.297 9.129 1.00 0.00 C ATOM 871 CG TYR A 58 -3.191 0.093 7.981 1.00 0.00 C ATOM 872 CD1 TYR A 58 -3.267 1.354 7.428 1.00 0.00 C ATOM 873 CD2 TYR A 58 -2.272 -0.818 7.499 1.00 0.00 C ATOM 874 CE1 TYR A 58 -2.388 1.721 6.347 1.00 0.00 C ATOM 875 CE2 TYR A 58 -1.394 -0.452 6.418 1.00 0.00 C ATOM 876 CZ TYR A 58 -1.495 0.800 5.896 1.00 0.00 C ATOM 877 OH TYR A 58 -0.666 1.146 4.875 1.00 0.00 O ATOM 0 H TYR A 58 -4.965 -1.995 7.591 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.267 -0.267 9.594 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.004 0.421 9.941 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.820 -1.270 9.516 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -3.986 2.067 7.805 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.212 -1.805 7.933 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -2.437 2.705 5.905 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.672 -1.155 6.031 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.489 2.109 4.910 1.00 0.00 H new ATOM 887 N ILE A 59 -5.596 0.574 6.513 1.00 0.00 N ATOM 888 CA ILE A 59 -5.834 1.583 5.495 1.00 0.00 C ATOM 889 C ILE A 59 -7.324 1.930 5.466 1.00 0.00 C ATOM 890 O ILE A 59 -7.716 2.948 4.900 1.00 0.00 O ATOM 891 CB ILE A 59 -5.285 1.120 4.143 1.00 0.00 C ATOM 892 CG1 ILE A 59 -6.208 0.082 3.502 1.00 0.00 C ATOM 893 CG2 ILE A 59 -3.852 0.604 4.282 1.00 0.00 C ATOM 894 CD1 ILE A 59 -7.153 0.738 2.494 1.00 0.00 C ATOM 0 H ILE A 59 -5.178 -0.290 6.168 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.296 2.500 5.735 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.255 1.980 3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.611 -0.682 3.003 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.788 -0.421 4.276 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.485 0.281 3.308 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.214 1.401 4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.834 -0.238 4.974 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.798 -0.021 2.053 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.765 1.484 3.001 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.570 1.220 1.709 1.00 0.00 H new ATOM 906 N LEU A 60 -8.112 1.064 6.086 1.00 0.00 N ATOM 907 CA LEU A 60 -9.550 1.268 6.138 1.00 0.00 C ATOM 908 C LEU A 60 -9.842 2.709 6.562 1.00 0.00 C ATOM 909 O LEU A 60 -10.535 3.439 5.856 1.00 0.00 O ATOM 910 CB LEU A 60 -10.207 0.217 7.037 1.00 0.00 C ATOM 911 CG LEU A 60 -11.292 -0.641 6.383 1.00 0.00 C ATOM 912 CD1 LEU A 60 -11.141 -2.111 6.781 1.00 0.00 C ATOM 913 CD2 LEU A 60 -12.687 -0.100 6.702 1.00 0.00 C ATOM 0 H LEU A 60 -7.783 0.221 6.556 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.991 1.131 5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.429 -0.445 7.418 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.643 0.725 7.897 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.166 -0.585 5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.924 -2.700 6.303 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.165 -2.476 6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.226 -2.205 7.864 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.439 -0.729 6.225 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.841 -0.105 7.781 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.776 0.920 6.328 1.00 0.00 H new ATOM 925 N LYS A 61 -9.300 3.074 7.714 1.00 0.00 N ATOM 926 CA LYS A 61 -9.495 4.415 8.241 1.00 0.00 C ATOM 927 C LYS A 61 -8.814 4.524 9.607 1.00 0.00 C ATOM 928 O LYS A 61 -8.439 5.616 10.032 1.00 0.00 O ATOM 929 CB LYS A 61 -10.981 4.771 8.264 1.00 0.00 C ATOM 930 CG LYS A 61 -11.818 3.602 8.787 1.00 0.00 C ATOM 931 CD LYS A 61 -11.582 3.385 10.284 1.00 0.00 C ATOM 932 CE LYS A 61 -12.908 3.336 11.045 1.00 0.00 C ATOM 933 NZ LYS A 61 -12.679 2.973 12.462 1.00 0.00 N ATOM 0 H LYS A 61 -8.726 2.465 8.298 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.026 5.153 7.590 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.139 5.646 8.894 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.310 5.038 7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.875 3.797 8.606 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.564 2.694 8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.035 2.455 10.439 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.961 4.189 10.679 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.403 4.305 10.987 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.574 2.609 10.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.589 2.944 12.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.226 2.038 12.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.061 3.681 12.906 1.00 0.00 H new ATOM 947 N GLU A 62 -8.676 3.378 10.258 1.00 0.00 N ATOM 948 CA GLU A 62 -8.048 3.333 11.567 1.00 0.00 C ATOM 949 C GLU A 62 -6.585 3.767 11.470 1.00 0.00 C ATOM 950 O GLU A 62 -6.085 4.477 12.343 1.00 0.00 O ATOM 951 CB GLU A 62 -8.165 1.935 12.183 1.00 0.00 C ATOM 952 CG GLU A 62 -8.822 1.998 13.563 1.00 0.00 C ATOM 953 CD GLU A 62 -8.005 1.219 14.595 1.00 0.00 C ATOM 954 OE1 GLU A 62 -8.086 -0.028 14.559 1.00 0.00 O ATOM 955 OE2 GLU A 62 -7.318 1.886 15.397 1.00 0.00 O ATOM 0 H GLU A 62 -8.988 2.474 9.903 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.570 4.030 12.223 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.751 1.292 11.526 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.175 1.487 12.268 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.916 3.037 13.878 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.831 1.589 13.508 1.00 0.00 H new ATOM 962 N ILE A 63 -5.939 3.326 10.401 1.00 0.00 N ATOM 963 CA ILE A 63 -4.543 3.661 10.178 1.00 0.00 C ATOM 964 C ILE A 63 -3.789 3.597 11.508 1.00 0.00 C ATOM 965 O ILE A 63 -3.804 4.554 12.282 1.00 0.00 O ATOM 966 CB ILE A 63 -4.423 5.011 9.468 1.00 0.00 C ATOM 967 CG1 ILE A 63 -2.967 5.476 9.419 1.00 0.00 C ATOM 968 CG2 ILE A 63 -5.337 6.053 10.114 1.00 0.00 C ATOM 969 CD1 ILE A 63 -2.247 4.900 8.199 1.00 0.00 C ATOM 0 H ILE A 63 -6.357 2.739 9.679 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.078 2.934 9.512 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.756 4.887 8.438 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.930 6.565 9.386 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.452 5.167 10.329 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.232 7.003 9.590 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.372 5.717 10.053 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.059 6.183 11.160 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.214 5.247 8.189 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.264 3.811 8.247 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.750 5.231 7.290 1.00 0.00 H new ATOM 981 N ASP A 64 -3.148 2.460 11.734 1.00 0.00 N ATOM 982 CA ASP A 64 -2.389 2.259 12.957 1.00 0.00 C ATOM 983 C ASP A 64 -1.955 0.795 13.048 1.00 0.00 C ATOM 984 O ASP A 64 -0.899 0.489 13.599 1.00 0.00 O ATOM 985 CB ASP A 64 -3.237 2.577 14.189 1.00 0.00 C ATOM 986 CG ASP A 64 -2.766 1.918 15.487 1.00 0.00 C ATOM 987 OD1 ASP A 64 -1.538 1.714 15.606 1.00 0.00 O ATOM 988 OD2 ASP A 64 -3.643 1.634 16.331 1.00 0.00 O ATOM 0 H ASP A 64 -3.138 1.668 11.091 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.526 2.924 12.931 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.251 3.657 14.332 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.264 2.268 13.994 1.00 0.00 H new ATOM 993 N THR A 65 -2.792 -0.073 12.497 1.00 0.00 N ATOM 994 CA THR A 65 -2.508 -1.497 12.509 1.00 0.00 C ATOM 995 C THR A 65 -1.451 -1.840 11.457 1.00 0.00 C ATOM 996 O THR A 65 -1.662 -2.719 10.623 1.00 0.00 O ATOM 997 CB THR A 65 -3.828 -2.245 12.309 1.00 0.00 C ATOM 998 OG1 THR A 65 -4.663 -1.761 13.358 1.00 0.00 O ATOM 999 CG2 THR A 65 -3.702 -3.743 12.594 1.00 0.00 C ATOM 0 H THR A 65 -3.667 0.184 12.040 1.00 0.00 H new ATOM 0 HA THR A 65 -2.083 -1.806 13.464 1.00 0.00 H new ATOM 0 HB THR A 65 -4.177 -2.099 11.287 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.541 -2.193 13.303 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.667 -4.226 12.437 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.964 -4.180 11.922 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.386 -3.892 13.626 1.00 0.00 H new ATOM 1007 N LEU A 66 -0.337 -1.126 11.531 1.00 0.00 N ATOM 1008 CA LEU A 66 0.753 -1.343 10.595 1.00 0.00 C ATOM 1009 C LEU A 66 2.083 -1.046 11.290 1.00 0.00 C ATOM 1010 O LEU A 66 2.807 -0.136 10.889 1.00 0.00 O ATOM 1011 CB LEU A 66 0.533 -0.531 9.317 1.00 0.00 C ATOM 1012 CG LEU A 66 1.056 -1.159 8.024 1.00 0.00 C ATOM 1013 CD1 LEU A 66 1.316 -0.089 6.961 1.00 0.00 C ATOM 1014 CD2 LEU A 66 2.296 -2.014 8.293 1.00 0.00 C ATOM 0 H LEU A 66 -0.166 -0.397 12.224 1.00 0.00 H new ATOM 0 HA LEU A 66 0.782 -2.386 10.281 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.536 -0.352 9.204 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.008 0.442 9.443 1.00 0.00 H new ATOM 0 HG LEU A 66 0.286 -1.823 7.630 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.687 -0.562 6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.388 0.440 6.742 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.058 0.619 7.331 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.648 -2.449 7.358 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.081 -1.391 8.722 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.043 -2.812 8.992 1.00 0.00 H new