USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 757 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 Single : A 8 SER OG : rot 180:sc= 0.124 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0148 X(o=-0.015,f=-0.3) USER MOD Single : A 13 SER OG : rot 180:sc= -0.114 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -7.28! C(o=-7.3!,f=-20!) USER MOD Single : A 19 TYR OH : rot 164:sc= -3.02! USER MOD Single : A 21 LYS NZ :NH3+ -126:sc= -0.285 (180deg=-1.19) USER MOD Single : A 22 TYR OH : rot 124:sc= -0.821 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.495 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.0164 X(o=-0.016,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc=0.000809 USER MOD Single : A 44 LYS NZ :NH3+ -100:sc= -0.581 (180deg=-1.15) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -79:sc= 1.38 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 11:sc= 0.78 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.9! K(o=-1.9!,f=-1.1) USER MOD Single : A 82 CYS SG : rot -170:sc= -2.55 USER MOD Single : A 84 GLN : amide:sc= -0.333 K(o=-0.33,f=-3.1!) USER MOD Single : A 85 ASN : amide:sc= -0.953 K(o=-0.95,f=-3.3) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -62:sc= 0 USER MOD Single : A 95 SER OG : rot -65:sc= 0.823 USER MOD Single : A 104 HIS : no HD1:sc= 0.115 K(o=0.12,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 7 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA LEU A 7 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C LEU A 7 1.098 -0.075 -2.422 1.00 0.00 C ATOM 4 O LEU A 7 -0.112 0.054 -2.239 1.00 0.00 O ATOM 5 CB LEU A 7 3.119 -1.117 -1.242 1.00 0.00 C ATOM 6 CG LEU A 7 4.503 -0.738 -0.710 1.00 0.00 C ATOM 7 CD1 LEU A 7 5.176 -1.934 -0.033 1.00 0.00 C ATOM 8 CD2 LEU A 7 5.373 -0.143 -1.819 1.00 0.00 C ATOM 0 HA LEU A 7 2.632 0.929 -1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.736 -1.945 -0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.232 -1.485 -2.262 1.00 0.00 H new ATOM 0 HG LEU A 7 4.378 0.034 0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.158 -1.638 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.562 -2.273 0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.288 -2.744 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.351 0.118 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.494 -0.874 -2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.894 0.752 -2.216 1.00 0.00 H new ATOM 20 N SER A 8 1.660 -0.283 -3.603 1.00 0.00 N ATOM 21 CA SER A 8 0.855 -0.376 -4.809 1.00 0.00 C ATOM 22 C SER A 8 -0.406 -1.198 -4.534 1.00 0.00 C ATOM 23 O SER A 8 -0.376 -2.142 -3.745 1.00 0.00 O ATOM 24 CB SER A 8 1.653 -0.996 -5.958 1.00 0.00 C ATOM 25 OG SER A 8 3.023 -1.187 -5.614 1.00 0.00 O ATOM 0 H SER A 8 2.664 -0.390 -3.751 1.00 0.00 H new ATOM 0 HA SER A 8 0.566 0.632 -5.106 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.211 -1.954 -6.231 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.586 -0.352 -6.835 1.00 0.00 H new ATOM 0 HG SER A 8 3.498 -1.586 -6.373 1.00 0.00 H new ATOM 31 N LEU A 9 -1.484 -0.811 -5.200 1.00 0.00 N ATOM 32 CA LEU A 9 -2.752 -1.500 -5.038 1.00 0.00 C ATOM 33 C LEU A 9 -2.506 -3.010 -5.000 1.00 0.00 C ATOM 34 O LEU A 9 -3.117 -3.722 -4.205 1.00 0.00 O ATOM 35 CB LEU A 9 -3.741 -1.065 -6.121 1.00 0.00 C ATOM 36 CG LEU A 9 -3.734 0.422 -6.478 1.00 0.00 C ATOM 37 CD1 LEU A 9 -4.935 0.782 -7.355 1.00 0.00 C ATOM 38 CD2 LEU A 9 -3.665 1.288 -5.218 1.00 0.00 C ATOM 0 H LEU A 9 -1.505 -0.028 -5.854 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.215 -1.228 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.533 -1.636 -7.026 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.746 -1.336 -5.797 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.836 0.628 -7.061 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.905 1.845 -7.594 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.899 0.202 -8.277 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.857 0.556 -6.820 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.661 2.341 -5.500 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.531 1.084 -4.588 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.753 1.057 -4.667 1.00 0.00 H new ATOM 50 N THR A 10 -1.610 -3.453 -5.869 1.00 0.00 N ATOM 51 CA THR A 10 -1.276 -4.865 -5.945 1.00 0.00 C ATOM 52 C THR A 10 -0.887 -5.396 -4.564 1.00 0.00 C ATOM 53 O THR A 10 -1.523 -6.313 -4.045 1.00 0.00 O ATOM 54 CB THR A 10 -0.174 -5.034 -6.993 1.00 0.00 C ATOM 55 OG1 THR A 10 -0.847 -4.858 -8.236 1.00 0.00 O ATOM 56 CG2 THR A 10 0.357 -6.468 -7.058 1.00 0.00 C ATOM 0 H THR A 10 -1.105 -2.859 -6.527 1.00 0.00 H new ATOM 0 HA THR A 10 -2.135 -5.459 -6.257 1.00 0.00 H new ATOM 0 HB THR A 10 0.646 -4.352 -6.770 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.206 -4.950 -8.971 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.137 -6.533 -7.817 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.770 -6.747 -6.089 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.457 -7.146 -7.315 1.00 0.00 H new ATOM 64 N GLN A 11 0.156 -4.797 -4.007 1.00 0.00 N ATOM 65 CA GLN A 11 0.637 -5.199 -2.696 1.00 0.00 C ATOM 66 C GLN A 11 -0.450 -4.979 -1.641 1.00 0.00 C ATOM 67 O GLN A 11 -0.515 -5.705 -0.651 1.00 0.00 O ATOM 68 CB GLN A 11 1.917 -4.446 -2.328 1.00 0.00 C ATOM 69 CG GLN A 11 3.114 -5.398 -2.267 1.00 0.00 C ATOM 70 CD GLN A 11 3.081 -6.239 -0.989 1.00 0.00 C ATOM 71 OE1 GLN A 11 2.863 -5.745 0.105 1.00 0.00 O ATOM 72 NE2 GLN A 11 3.309 -7.534 -1.188 1.00 0.00 N ATOM 0 H GLN A 11 0.681 -4.037 -4.440 1.00 0.00 H new ATOM 0 HA GLN A 11 0.875 -6.262 -2.728 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.107 -3.663 -3.063 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.789 -3.954 -1.364 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.107 -6.053 -3.138 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.041 -4.826 -2.306 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.485 -7.882 -2.131 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.308 -8.179 -0.398 1.00 0.00 H new ATOM 81 N LEU A 12 -1.278 -3.975 -1.891 1.00 0.00 N ATOM 82 CA LEU A 12 -2.358 -3.650 -0.975 1.00 0.00 C ATOM 83 C LEU A 12 -3.072 -4.938 -0.560 1.00 0.00 C ATOM 84 O LEU A 12 -3.200 -5.225 0.630 1.00 0.00 O ATOM 85 CB LEU A 12 -3.288 -2.604 -1.593 1.00 0.00 C ATOM 86 CG LEU A 12 -4.123 -1.783 -0.608 1.00 0.00 C ATOM 87 CD1 LEU A 12 -4.403 -2.579 0.668 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.456 -0.439 -0.311 1.00 0.00 C ATOM 0 H LEU A 12 -1.223 -3.376 -2.715 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.964 -3.195 -0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.686 -1.918 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.966 -3.110 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.086 -1.568 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.998 -1.973 1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.951 -3.487 0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.460 -2.844 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.070 0.125 0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.471 -0.610 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.351 0.127 -1.236 1.00 0.00 H new ATOM 100 N SER A 13 -3.519 -5.680 -1.563 1.00 0.00 N ATOM 101 CA SER A 13 -4.216 -6.930 -1.316 1.00 0.00 C ATOM 102 C SER A 13 -3.969 -7.904 -2.470 1.00 0.00 C ATOM 103 O SER A 13 -4.909 -8.490 -3.004 1.00 0.00 O ATOM 104 CB SER A 13 -5.717 -6.697 -1.131 1.00 0.00 C ATOM 105 OG SER A 13 -6.017 -5.327 -0.874 1.00 0.00 O ATOM 0 H SER A 13 -3.412 -5.439 -2.548 1.00 0.00 H new ATOM 0 HA SER A 13 -3.826 -7.362 -0.394 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.247 -7.023 -2.026 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.080 -7.309 -0.305 1.00 0.00 H new ATOM 0 HG SER A 13 -6.985 -5.219 -0.763 1.00 0.00 H new ATOM 111 N SER A 14 -2.699 -8.046 -2.820 1.00 0.00 N ATOM 112 CA SER A 14 -2.316 -8.939 -3.901 1.00 0.00 C ATOM 113 C SER A 14 -3.005 -8.514 -5.199 1.00 0.00 C ATOM 114 O SER A 14 -3.004 -9.258 -6.179 1.00 0.00 O ATOM 115 CB SER A 14 -2.665 -10.390 -3.566 1.00 0.00 C ATOM 116 OG SER A 14 -1.529 -11.246 -3.651 1.00 0.00 O ATOM 0 H SER A 14 -1.922 -7.558 -2.374 1.00 0.00 H new ATOM 0 HA SER A 14 -1.236 -8.874 -4.032 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.082 -10.440 -2.560 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.437 -10.744 -4.249 1.00 0.00 H new ATOM 0 HG SER A 14 -1.793 -12.163 -3.428 1.00 0.00 H new ATOM 122 N GLY A 15 -3.575 -7.318 -5.165 1.00 0.00 N ATOM 123 CA GLY A 15 -4.265 -6.785 -6.327 1.00 0.00 C ATOM 124 C GLY A 15 -5.760 -7.106 -6.272 1.00 0.00 C ATOM 125 O GLY A 15 -6.308 -7.693 -7.204 1.00 0.00 O ATOM 0 H GLY A 15 -3.573 -6.703 -4.351 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.123 -5.705 -6.375 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.833 -7.204 -7.235 1.00 0.00 H new ATOM 129 N ASN A 16 -6.378 -6.707 -5.170 1.00 0.00 N ATOM 130 CA ASN A 16 -7.799 -6.945 -4.981 1.00 0.00 C ATOM 131 C ASN A 16 -8.558 -5.626 -5.141 1.00 0.00 C ATOM 132 O ASN A 16 -8.341 -4.684 -4.380 1.00 0.00 O ATOM 133 CB ASN A 16 -8.085 -7.488 -3.580 1.00 0.00 C ATOM 134 CG ASN A 16 -9.470 -8.135 -3.514 1.00 0.00 C ATOM 135 OD1 ASN A 16 -10.405 -7.729 -4.184 1.00 0.00 O ATOM 136 ND2 ASN A 16 -9.549 -9.160 -2.671 1.00 0.00 N ATOM 0 H ASN A 16 -5.921 -6.220 -4.399 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.120 -7.676 -5.723 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.325 -8.220 -3.308 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -8.023 -6.678 -2.853 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.432 -9.658 -2.555 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.727 -9.448 -2.140 1.00 0.00 H new ATOM 143 N PRO A 17 -9.457 -5.600 -6.162 1.00 0.00 N ATOM 144 CA PRO A 17 -10.249 -4.413 -6.432 1.00 0.00 C ATOM 145 C PRO A 17 -11.366 -4.253 -5.398 1.00 0.00 C ATOM 146 O PRO A 17 -12.152 -3.309 -5.469 1.00 0.00 O ATOM 147 CB PRO A 17 -10.771 -4.601 -7.847 1.00 0.00 C ATOM 148 CG PRO A 17 -10.640 -6.086 -8.145 1.00 0.00 C ATOM 149 CD PRO A 17 -9.741 -6.697 -7.083 1.00 0.00 C ATOM 0 HA PRO A 17 -9.669 -3.493 -6.356 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -11.809 -4.277 -7.927 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -10.196 -4.008 -8.558 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.619 -6.565 -8.138 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.217 -6.240 -9.138 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.236 -7.524 -6.573 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.825 -7.094 -7.520 1.00 0.00 H new ATOM 157 N VAL A 18 -11.402 -5.190 -4.463 1.00 0.00 N ATOM 158 CA VAL A 18 -12.410 -5.165 -3.417 1.00 0.00 C ATOM 159 C VAL A 18 -12.342 -3.826 -2.681 1.00 0.00 C ATOM 160 O VAL A 18 -13.374 -3.238 -2.358 1.00 0.00 O ATOM 161 CB VAL A 18 -12.229 -6.367 -2.487 1.00 0.00 C ATOM 162 CG1 VAL A 18 -10.853 -6.342 -1.819 1.00 0.00 C ATOM 163 CG2 VAL A 18 -13.345 -6.425 -1.442 1.00 0.00 C ATOM 0 H VAL A 18 -10.749 -5.972 -4.408 1.00 0.00 H new ATOM 0 HA VAL A 18 -13.408 -5.250 -3.847 1.00 0.00 H new ATOM 0 HB VAL A 18 -12.290 -7.271 -3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.751 -7.207 -1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.077 -6.372 -2.584 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.750 -5.429 -1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.192 -7.288 -0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.330 -5.515 -0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.309 -6.514 -1.943 1.00 0.00 H new ATOM 173 N TYR A 19 -11.118 -3.382 -2.437 1.00 0.00 N ATOM 174 CA TYR A 19 -10.903 -2.122 -1.746 1.00 0.00 C ATOM 175 C TYR A 19 -11.372 -0.941 -2.598 1.00 0.00 C ATOM 176 O TYR A 19 -11.881 0.046 -2.070 1.00 0.00 O ATOM 177 CB TYR A 19 -9.392 -2.012 -1.532 1.00 0.00 C ATOM 178 CG TYR A 19 -8.996 -1.451 -0.164 1.00 0.00 C ATOM 179 CD1 TYR A 19 -9.690 -1.834 0.966 1.00 0.00 C ATOM 180 CD2 TYR A 19 -7.946 -0.561 -0.061 1.00 0.00 C ATOM 181 CE1 TYR A 19 -9.318 -1.306 2.253 1.00 0.00 C ATOM 182 CE2 TYR A 19 -7.574 -0.033 1.226 1.00 0.00 C ATOM 183 CZ TYR A 19 -8.278 -0.431 2.319 1.00 0.00 C ATOM 184 OH TYR A 19 -7.927 0.067 3.535 1.00 0.00 O ATOM 0 H TYR A 19 -10.265 -3.872 -2.705 1.00 0.00 H new ATOM 0 HA TYR A 19 -11.462 -2.098 -0.810 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.946 -2.999 -1.651 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -8.971 -1.376 -2.310 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -10.512 -2.530 0.885 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.404 -0.261 -0.945 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -9.852 -1.598 3.145 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.754 0.664 1.321 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.033 0.465 3.480 1.00 0.00 H new ATOM 194 N GLU A 20 -11.185 -1.083 -3.902 1.00 0.00 N ATOM 195 CA GLU A 20 -11.583 -0.040 -4.833 1.00 0.00 C ATOM 196 C GLU A 20 -13.093 0.191 -4.756 1.00 0.00 C ATOM 197 O GLU A 20 -13.559 1.323 -4.885 1.00 0.00 O ATOM 198 CB GLU A 20 -11.153 -0.385 -6.260 1.00 0.00 C ATOM 199 CG GLU A 20 -10.128 0.623 -6.783 1.00 0.00 C ATOM 200 CD GLU A 20 -10.766 1.581 -7.790 1.00 0.00 C ATOM 201 OE1 GLU A 20 -11.670 2.350 -7.428 1.00 0.00 O ATOM 202 OE2 GLU A 20 -10.292 1.509 -8.987 1.00 0.00 O ATOM 0 H GLU A 20 -10.763 -1.904 -4.336 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.079 0.884 -4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.726 -1.388 -6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.025 -0.395 -6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.712 1.190 -5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.300 0.094 -7.254 1.00 0.00 H new ATOM 210 N LYS A 21 -13.817 -0.898 -4.546 1.00 0.00 N ATOM 211 CA LYS A 21 -15.265 -0.828 -4.450 1.00 0.00 C ATOM 212 C LYS A 21 -15.655 0.317 -3.515 1.00 0.00 C ATOM 213 O LYS A 21 -16.574 1.080 -3.811 1.00 0.00 O ATOM 214 CB LYS A 21 -15.841 -2.184 -4.036 1.00 0.00 C ATOM 215 CG LYS A 21 -15.613 -3.233 -5.126 1.00 0.00 C ATOM 216 CD LYS A 21 -16.944 -3.751 -5.675 1.00 0.00 C ATOM 217 CE LYS A 21 -17.725 -4.507 -4.599 1.00 0.00 C ATOM 218 NZ LYS A 21 -18.869 -3.697 -4.124 1.00 0.00 N ATOM 0 H LYS A 21 -13.428 -1.835 -4.440 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.701 -0.607 -5.424 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.375 -2.513 -3.107 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.909 -2.085 -3.839 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.025 -2.800 -5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.034 -4.063 -4.721 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -17.540 -2.915 -6.042 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.760 -4.408 -6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -18.084 -5.455 -5.000 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.067 -4.744 -3.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.825 -3.607 -3.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.828 -2.752 -4.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -19.759 -4.162 -4.393 1.00 0.00 H new ATOM 229 N TYR A 22 -14.938 0.403 -2.404 1.00 0.00 N ATOM 230 CA TYR A 22 -15.198 1.443 -1.423 1.00 0.00 C ATOM 231 C TYR A 22 -14.760 2.812 -1.947 1.00 0.00 C ATOM 232 O TYR A 22 -15.490 3.793 -1.816 1.00 0.00 O ATOM 233 CB TYR A 22 -14.356 1.086 -0.197 1.00 0.00 C ATOM 234 CG TYR A 22 -14.565 -0.344 0.307 1.00 0.00 C ATOM 235 CD1 TYR A 22 -15.827 -0.902 0.295 1.00 0.00 C ATOM 236 CD2 TYR A 22 -13.491 -1.075 0.773 1.00 0.00 C ATOM 237 CE1 TYR A 22 -16.024 -2.248 0.769 1.00 0.00 C ATOM 238 CE2 TYR A 22 -13.688 -2.421 1.247 1.00 0.00 C ATOM 239 CZ TYR A 22 -14.944 -2.940 1.221 1.00 0.00 C ATOM 240 OH TYR A 22 -15.130 -4.211 1.669 1.00 0.00 O ATOM 0 H TYR A 22 -14.177 -0.231 -2.161 1.00 0.00 H new ATOM 0 HA TYR A 22 -16.263 1.500 -1.197 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -13.302 1.224 -0.440 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -14.592 1.782 0.608 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -16.667 -0.330 -0.070 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -12.503 -0.638 0.782 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -17.006 -2.697 0.766 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -12.857 -3.004 1.615 1.00 0.00 H new ATOM 0 HH TYR A 22 -14.546 -4.822 1.173 1.00 0.00 H new ATOM 250 N TYR A 23 -13.570 2.834 -2.529 1.00 0.00 N ATOM 251 CA TYR A 23 -13.026 4.067 -3.073 1.00 0.00 C ATOM 252 C TYR A 23 -14.001 4.708 -4.061 1.00 0.00 C ATOM 253 O TYR A 23 -14.060 5.931 -4.177 1.00 0.00 O ATOM 254 CB TYR A 23 -11.749 3.672 -3.818 1.00 0.00 C ATOM 255 CG TYR A 23 -11.398 4.596 -4.985 1.00 0.00 C ATOM 256 CD1 TYR A 23 -12.149 4.562 -6.142 1.00 0.00 C ATOM 257 CD2 TYR A 23 -10.331 5.465 -4.881 1.00 0.00 C ATOM 258 CE1 TYR A 23 -11.819 5.432 -7.241 1.00 0.00 C ATOM 259 CE2 TYR A 23 -10.001 6.336 -5.979 1.00 0.00 C ATOM 260 CZ TYR A 23 -10.761 6.276 -7.105 1.00 0.00 C ATOM 261 OH TYR A 23 -10.449 7.098 -8.143 1.00 0.00 O ATOM 0 H TYR A 23 -12.967 2.018 -2.636 1.00 0.00 H new ATOM 0 HA TYR A 23 -12.840 4.788 -2.277 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -10.918 3.662 -3.113 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -11.860 2.655 -4.194 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -12.985 3.883 -6.223 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.743 5.492 -3.975 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -12.398 5.415 -8.152 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.169 7.021 -5.910 1.00 0.00 H new ATOM 0 HH TYR A 23 -9.672 7.646 -7.904 1.00 0.00 H new ATOM 271 N ARG A 24 -14.743 3.852 -4.750 1.00 0.00 N ATOM 272 CA ARG A 24 -15.713 4.320 -5.725 1.00 0.00 C ATOM 273 C ARG A 24 -16.971 4.831 -5.020 1.00 0.00 C ATOM 274 O ARG A 24 -17.670 5.699 -5.541 1.00 0.00 O ATOM 275 CB ARG A 24 -16.100 3.203 -6.697 1.00 0.00 C ATOM 276 CG ARG A 24 -16.649 3.778 -8.004 1.00 0.00 C ATOM 277 CD ARG A 24 -18.165 3.971 -7.924 1.00 0.00 C ATOM 278 NE ARG A 24 -18.822 3.302 -9.069 1.00 0.00 N ATOM 279 CZ ARG A 24 -20.150 3.336 -9.304 1.00 0.00 C ATOM 280 NH1 ARG A 24 -20.977 4.007 -8.475 1.00 0.00 N ATOM 281 NH2 ARG A 24 -20.630 2.702 -10.359 1.00 0.00 N ATOM 0 H ARG A 24 -14.692 2.838 -4.652 1.00 0.00 H new ATOM 0 HA ARG A 24 -15.252 5.132 -6.287 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -15.230 2.581 -6.907 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -16.849 2.559 -6.236 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -16.168 4.733 -8.216 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -16.407 3.109 -8.830 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -18.543 3.561 -6.987 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -18.405 5.034 -7.927 1.00 0.00 H new ATOM 0 HE ARG A 24 -18.234 2.783 -9.721 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -20.599 4.494 -7.662 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -21.980 4.027 -8.661 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -19.999 2.197 -10.981 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -21.632 2.718 -10.551 1.00 0.00 H new ATOM 294 N GLN A 25 -17.221 4.271 -3.845 1.00 0.00 N ATOM 295 CA GLN A 25 -18.382 4.659 -3.063 1.00 0.00 C ATOM 296 C GLN A 25 -18.245 6.109 -2.592 1.00 0.00 C ATOM 297 O GLN A 25 -19.235 6.833 -2.502 1.00 0.00 O ATOM 298 CB GLN A 25 -18.585 3.714 -1.877 1.00 0.00 C ATOM 299 CG GLN A 25 -19.422 2.499 -2.281 1.00 0.00 C ATOM 300 CD GLN A 25 -20.500 2.203 -1.236 1.00 0.00 C ATOM 301 OE1 GLN A 25 -21.688 2.213 -1.511 1.00 0.00 O ATOM 302 NE2 GLN A 25 -20.020 1.940 -0.024 1.00 0.00 N ATOM 0 H GLN A 25 -16.639 3.552 -3.416 1.00 0.00 H new ATOM 0 HA GLN A 25 -19.265 4.586 -3.699 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -17.617 3.384 -1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -19.079 4.246 -1.064 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -19.889 2.680 -3.249 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -18.775 1.630 -2.397 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -19.013 1.948 0.139 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -20.659 1.730 0.743 1.00 0.00 H new ATOM 311 N VAL A 26 -17.009 6.489 -2.304 1.00 0.00 N ATOM 312 CA VAL A 26 -16.729 7.839 -1.844 1.00 0.00 C ATOM 313 C VAL A 26 -16.699 8.786 -3.045 1.00 0.00 C ATOM 314 O VAL A 26 -16.671 10.004 -2.879 1.00 0.00 O ATOM 315 CB VAL A 26 -15.430 7.857 -1.035 1.00 0.00 C ATOM 316 CG1 VAL A 26 -15.219 6.529 -0.305 1.00 0.00 C ATOM 317 CG2 VAL A 26 -14.233 8.188 -1.929 1.00 0.00 C ATOM 0 H VAL A 26 -16.190 5.886 -2.380 1.00 0.00 H new ATOM 0 HA VAL A 26 -17.517 8.187 -1.176 1.00 0.00 H new ATOM 0 HB VAL A 26 -15.514 8.642 -0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.289 6.569 0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -16.052 6.352 0.376 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.166 5.719 -1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.322 8.195 -1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.146 7.436 -2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.377 9.169 -2.381 1.00 0.00 H new ATOM 327 N GLU A 27 -16.705 8.190 -4.229 1.00 0.00 N ATOM 328 CA GLU A 27 -16.679 8.965 -5.457 1.00 0.00 C ATOM 329 C GLU A 27 -17.946 9.814 -5.576 1.00 0.00 C ATOM 330 O GLU A 27 -19.037 9.358 -5.237 1.00 0.00 O ATOM 331 CB GLU A 27 -16.513 8.055 -6.676 1.00 0.00 C ATOM 332 CG GLU A 27 -16.225 8.874 -7.936 1.00 0.00 C ATOM 333 CD GLU A 27 -17.110 8.420 -9.099 1.00 0.00 C ATOM 334 OE1 GLU A 27 -18.054 9.131 -9.474 1.00 0.00 O ATOM 335 OE2 GLU A 27 -16.788 7.284 -9.618 1.00 0.00 O ATOM 0 H GLU A 27 -16.727 7.179 -4.363 1.00 0.00 H new ATOM 0 HA GLU A 27 -15.819 9.634 -5.423 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.699 7.352 -6.501 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -17.418 7.465 -6.820 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.397 9.931 -7.734 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -15.175 8.769 -8.210 1.00 0.00 H new ATOM 343 N ALA A 28 -17.759 11.034 -6.058 1.00 0.00 N ATOM 344 CA ALA A 28 -18.874 11.952 -6.225 1.00 0.00 C ATOM 345 C ALA A 28 -18.852 12.520 -7.646 1.00 0.00 C ATOM 346 O ALA A 28 -17.804 12.551 -8.289 1.00 0.00 O ATOM 347 CB ALA A 28 -18.799 13.046 -5.158 1.00 0.00 C ATOM 0 H ALA A 28 -16.853 11.408 -6.338 1.00 0.00 H new ATOM 0 HA ALA A 28 -19.823 11.432 -6.092 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.635 13.734 -5.283 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.847 12.593 -4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.861 13.592 -5.262 1.00 0.00 H new ATOM 353 N GLY A 29 -20.021 12.955 -8.093 1.00 0.00 N ATOM 354 CA GLY A 29 -20.149 13.520 -9.425 1.00 0.00 C ATOM 355 C GLY A 29 -20.182 12.420 -10.487 1.00 0.00 C ATOM 356 O GLY A 29 -20.159 11.234 -10.159 1.00 0.00 O ATOM 0 H GLY A 29 -20.888 12.927 -7.556 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.060 14.116 -9.485 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.314 14.193 -9.620 1.00 0.00 H new ATOM 360 N ASN A 30 -20.235 12.851 -11.739 1.00 0.00 N ATOM 361 CA ASN A 30 -20.271 11.916 -12.851 1.00 0.00 C ATOM 362 C ASN A 30 -18.992 12.066 -13.678 1.00 0.00 C ATOM 363 O ASN A 30 -19.048 12.148 -14.905 1.00 0.00 O ATOM 364 CB ASN A 30 -21.463 12.198 -13.768 1.00 0.00 C ATOM 365 CG ASN A 30 -22.711 11.455 -13.288 1.00 0.00 C ATOM 366 OD1 ASN A 30 -23.256 11.722 -12.229 1.00 0.00 O ATOM 367 ND2 ASN A 30 -23.132 10.509 -14.123 1.00 0.00 N ATOM 0 H ASN A 30 -20.254 13.835 -12.008 1.00 0.00 H new ATOM 0 HA ASN A 30 -20.360 10.909 -12.444 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -21.661 13.270 -13.794 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -21.223 11.893 -14.787 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -23.958 9.956 -13.893 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -22.629 10.337 -14.994 1.00 0.00 H new ATOM 374 N THR A 31 -17.870 12.096 -12.975 1.00 0.00 N ATOM 375 CA THR A 31 -16.580 12.234 -13.629 1.00 0.00 C ATOM 376 C THR A 31 -15.775 10.939 -13.498 1.00 0.00 C ATOM 377 O THR A 31 -14.974 10.611 -14.372 1.00 0.00 O ATOM 378 CB THR A 31 -15.874 13.452 -13.030 1.00 0.00 C ATOM 379 OG1 THR A 31 -15.848 13.185 -11.631 1.00 0.00 O ATOM 380 CG2 THR A 31 -16.708 14.729 -13.151 1.00 0.00 C ATOM 0 H THR A 31 -17.827 12.027 -11.958 1.00 0.00 H new ATOM 0 HA THR A 31 -16.695 12.402 -14.700 1.00 0.00 H new ATOM 0 HB THR A 31 -14.915 13.597 -13.527 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.405 13.925 -11.165 1.00 0.00 H new ATOM 0 HG21 THR A 31 -16.162 15.563 -12.711 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.903 14.938 -14.203 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.654 14.597 -12.626 1.00 0.00 H new ATOM 388 N GLY A 32 -16.015 10.240 -12.399 1.00 0.00 N ATOM 389 CA GLY A 32 -15.322 8.989 -12.142 1.00 0.00 C ATOM 390 C GLY A 32 -14.058 9.222 -11.311 1.00 0.00 C ATOM 391 O GLY A 32 -13.103 8.453 -11.398 1.00 0.00 O ATOM 0 H GLY A 32 -16.680 10.516 -11.676 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -15.986 8.303 -11.616 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -15.058 8.515 -13.087 1.00 0.00 H new ATOM 395 N ARG A 33 -14.095 10.288 -10.524 1.00 0.00 N ATOM 396 CA ARG A 33 -12.965 10.632 -9.678 1.00 0.00 C ATOM 397 C ARG A 33 -13.427 10.845 -8.235 1.00 0.00 C ATOM 398 O ARG A 33 -14.592 11.156 -7.992 1.00 0.00 O ATOM 399 CB ARG A 33 -12.271 11.902 -10.176 1.00 0.00 C ATOM 400 CG ARG A 33 -11.477 11.627 -11.455 1.00 0.00 C ATOM 401 CD ARG A 33 -9.994 11.950 -11.260 1.00 0.00 C ATOM 402 NE ARG A 33 -9.293 10.779 -10.686 1.00 0.00 N ATOM 403 CZ ARG A 33 -8.960 9.676 -11.390 1.00 0.00 C ATOM 404 NH1 ARG A 33 -9.263 9.584 -12.702 1.00 0.00 N ATOM 405 NH2 ARG A 33 -8.334 8.690 -10.776 1.00 0.00 N ATOM 0 H ARG A 33 -14.889 10.924 -10.455 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.257 9.804 -9.718 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.014 12.677 -10.364 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.603 12.282 -9.403 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.591 10.581 -11.740 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.879 12.226 -12.273 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.544 12.222 -12.215 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.884 12.810 -10.599 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.046 10.807 -9.697 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.747 10.351 -13.169 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.008 8.747 -13.227 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.109 8.768 -9.784 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.075 7.850 -11.293 1.00 0.00 H new ATOM 418 N VAL A 34 -12.490 10.668 -7.315 1.00 0.00 N ATOM 419 CA VAL A 34 -12.787 10.836 -5.903 1.00 0.00 C ATOM 420 C VAL A 34 -12.616 12.308 -5.522 1.00 0.00 C ATOM 421 O VAL A 34 -11.499 12.823 -5.508 1.00 0.00 O ATOM 422 CB VAL A 34 -11.913 9.897 -5.069 1.00 0.00 C ATOM 423 CG1 VAL A 34 -12.497 9.705 -3.668 1.00 0.00 C ATOM 424 CG2 VAL A 34 -11.725 8.553 -5.774 1.00 0.00 C ATOM 0 H VAL A 34 -11.525 10.410 -7.520 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.822 10.565 -5.695 1.00 0.00 H new ATOM 0 HB VAL A 34 -10.932 10.359 -4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -11.857 9.033 -3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -12.555 10.669 -3.163 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -13.496 9.275 -3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -11.100 7.904 -5.160 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -12.697 8.083 -5.926 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -11.244 8.713 -6.739 1.00 0.00 H new ATOM 434 N LEU A 35 -13.739 12.944 -5.223 1.00 0.00 N ATOM 435 CA LEU A 35 -13.727 14.346 -4.843 1.00 0.00 C ATOM 436 C LEU A 35 -12.906 14.517 -3.563 1.00 0.00 C ATOM 437 O LEU A 35 -12.568 15.637 -3.182 1.00 0.00 O ATOM 438 CB LEU A 35 -15.155 14.884 -4.733 1.00 0.00 C ATOM 439 CG LEU A 35 -15.571 15.904 -5.795 1.00 0.00 C ATOM 440 CD1 LEU A 35 -17.062 16.231 -5.687 1.00 0.00 C ATOM 441 CD2 LEU A 35 -14.702 17.160 -5.720 1.00 0.00 C ATOM 0 H LEU A 35 -14.664 12.514 -5.236 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.244 14.945 -5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.844 14.041 -4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.275 15.342 -3.751 1.00 0.00 H new ATOM 0 HG LEU A 35 -15.409 15.459 -6.777 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -17.331 16.958 -6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -17.645 15.321 -5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -17.273 16.647 -4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -15.019 17.868 -6.486 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.808 17.618 -4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.659 16.891 -5.884 1.00 0.00 H new ATOM 453 N ALA A 36 -12.607 13.389 -2.935 1.00 0.00 N ATOM 454 CA ALA A 36 -11.832 13.399 -1.706 1.00 0.00 C ATOM 455 C ALA A 36 -12.756 13.711 -0.528 1.00 0.00 C ATOM 456 O ALA A 36 -12.813 12.953 0.439 1.00 0.00 O ATOM 457 CB ALA A 36 -10.688 14.407 -1.833 1.00 0.00 C ATOM 0 H ALA A 36 -12.888 12.462 -3.255 1.00 0.00 H new ATOM 0 HA ALA A 36 -11.386 12.421 -1.525 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.106 14.415 -0.911 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.044 14.124 -2.666 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.097 15.401 -2.012 1.00 0.00 H new ATOM 463 N LEU A 37 -13.458 14.829 -0.647 1.00 0.00 N ATOM 464 CA LEU A 37 -14.377 15.250 0.397 1.00 0.00 C ATOM 465 C LEU A 37 -15.131 14.030 0.929 1.00 0.00 C ATOM 466 O LEU A 37 -15.078 13.735 2.122 1.00 0.00 O ATOM 467 CB LEU A 37 -15.292 16.365 -0.113 1.00 0.00 C ATOM 468 CG LEU A 37 -14.673 17.763 -0.182 1.00 0.00 C ATOM 469 CD1 LEU A 37 -14.405 18.313 1.220 1.00 0.00 C ATOM 470 CD2 LEU A 37 -13.412 17.762 -1.049 1.00 0.00 C ATOM 0 H LEU A 37 -13.409 15.456 -1.450 1.00 0.00 H new ATOM 0 HA LEU A 37 -13.830 15.678 1.237 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.641 16.094 -1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -16.170 16.410 0.531 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.390 18.432 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.965 19.307 1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -15.343 18.373 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.716 17.651 1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.992 18.767 -1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.679 17.076 -0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -13.666 17.442 -2.060 1.00 0.00 H new ATOM 482 N ASP A 38 -15.817 13.355 0.019 1.00 0.00 N ATOM 483 CA ASP A 38 -16.581 12.173 0.382 1.00 0.00 C ATOM 484 C ASP A 38 -15.645 11.138 1.008 1.00 0.00 C ATOM 485 O ASP A 38 -16.006 10.477 1.981 1.00 0.00 O ATOM 486 CB ASP A 38 -17.232 11.539 -0.849 1.00 0.00 C ATOM 487 CG ASP A 38 -18.719 11.852 -1.028 1.00 0.00 C ATOM 488 OD1 ASP A 38 -19.556 10.943 -1.126 1.00 0.00 O ATOM 489 OD2 ASP A 38 -19.010 13.108 -1.067 1.00 0.00 O ATOM 0 H ASP A 38 -15.860 13.604 -0.969 1.00 0.00 H new ATOM 0 HA ASP A 38 -17.357 12.476 1.085 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -16.696 11.873 -1.737 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -17.108 10.458 -0.790 1.00 0.00 H new ATOM 495 N ALA A 39 -14.460 11.029 0.425 1.00 0.00 N ATOM 496 CA ALA A 39 -13.469 10.086 0.914 1.00 0.00 C ATOM 497 C ALA A 39 -13.356 10.214 2.435 1.00 0.00 C ATOM 498 O ALA A 39 -13.441 9.220 3.154 1.00 0.00 O ATOM 499 CB ALA A 39 -12.135 10.333 0.207 1.00 0.00 C ATOM 0 H ALA A 39 -14.164 11.579 -0.382 1.00 0.00 H new ATOM 0 HA ALA A 39 -13.771 9.063 0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -11.392 9.625 0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.263 10.200 -0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.799 11.350 0.410 1.00 0.00 H new ATOM 505 N ALA A 40 -13.164 11.447 2.880 1.00 0.00 N ATOM 506 CA ALA A 40 -13.038 11.719 4.302 1.00 0.00 C ATOM 507 C ALA A 40 -14.305 11.249 5.021 1.00 0.00 C ATOM 508 O ALA A 40 -14.261 10.905 6.201 1.00 0.00 O ATOM 509 CB ALA A 40 -12.766 13.209 4.515 1.00 0.00 C ATOM 0 H ALA A 40 -13.093 12.269 2.281 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.196 11.170 4.724 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.672 13.413 5.582 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.841 13.486 4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.591 13.792 4.106 1.00 0.00 H new ATOM 515 N ALA A 41 -15.402 11.250 4.279 1.00 0.00 N ATOM 516 CA ALA A 41 -16.679 10.828 4.831 1.00 0.00 C ATOM 517 C ALA A 41 -16.631 9.327 5.125 1.00 0.00 C ATOM 518 O ALA A 41 -16.978 8.894 6.222 1.00 0.00 O ATOM 519 CB ALA A 41 -17.802 11.196 3.859 1.00 0.00 C ATOM 0 H ALA A 41 -15.434 11.536 3.300 1.00 0.00 H new ATOM 0 HA ALA A 41 -16.880 11.342 5.771 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -18.760 10.880 4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -17.812 12.275 3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -17.636 10.696 2.905 1.00 0.00 H new ATOM 525 N PHE A 42 -16.198 8.574 4.124 1.00 0.00 N ATOM 526 CA PHE A 42 -16.101 7.131 4.262 1.00 0.00 C ATOM 527 C PHE A 42 -15.037 6.749 5.292 1.00 0.00 C ATOM 528 O PHE A 42 -15.157 5.725 5.963 1.00 0.00 O ATOM 529 CB PHE A 42 -15.692 6.578 2.895 1.00 0.00 C ATOM 530 CG PHE A 42 -15.512 5.058 2.867 1.00 0.00 C ATOM 531 CD1 PHE A 42 -16.553 4.245 3.190 1.00 0.00 C ATOM 532 CD2 PHE A 42 -14.312 4.522 2.518 1.00 0.00 C ATOM 533 CE1 PHE A 42 -16.386 2.835 3.164 1.00 0.00 C ATOM 534 CE2 PHE A 42 -14.146 3.112 2.492 1.00 0.00 C ATOM 535 CZ PHE A 42 -15.186 2.298 2.815 1.00 0.00 C ATOM 0 H PHE A 42 -15.911 8.936 3.215 1.00 0.00 H new ATOM 0 HA PHE A 42 -17.055 6.724 4.597 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -16.447 6.858 2.161 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -14.759 7.050 2.588 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -17.506 4.671 3.466 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -13.486 5.168 2.261 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -17.212 2.189 3.421 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -13.193 2.686 2.215 1.00 0.00 H new ATOM 0 HZ PHE A 42 -15.059 1.226 2.794 1.00 0.00 H new ATOM 545 N LEU A 43 -14.020 7.592 5.386 1.00 0.00 N ATOM 546 CA LEU A 43 -12.935 7.356 6.324 1.00 0.00 C ATOM 547 C LEU A 43 -13.478 7.427 7.753 1.00 0.00 C ATOM 548 O LEU A 43 -13.193 6.556 8.573 1.00 0.00 O ATOM 549 CB LEU A 43 -11.777 8.319 6.057 1.00 0.00 C ATOM 550 CG LEU A 43 -10.965 8.057 4.787 1.00 0.00 C ATOM 551 CD1 LEU A 43 -9.974 9.193 4.525 1.00 0.00 C ATOM 552 CD2 LEU A 43 -10.272 6.695 4.850 1.00 0.00 C ATOM 0 H LEU A 43 -13.924 8.440 4.828 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.524 6.356 6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.177 9.332 6.006 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.100 8.287 6.910 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.653 8.029 3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.410 8.981 3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.518 10.130 4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.287 9.278 5.367 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.702 6.534 3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.598 6.669 5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.021 5.910 4.953 1.00 0.00 H new ATOM 564 N LYS A 44 -14.250 8.474 8.007 1.00 0.00 N ATOM 565 CA LYS A 44 -14.834 8.670 9.323 1.00 0.00 C ATOM 566 C LYS A 44 -15.586 7.403 9.736 1.00 0.00 C ATOM 567 O LYS A 44 -15.848 7.191 10.919 1.00 0.00 O ATOM 568 CB LYS A 44 -15.699 9.932 9.342 1.00 0.00 C ATOM 569 CG LYS A 44 -14.854 11.172 9.642 1.00 0.00 C ATOM 570 CD LYS A 44 -15.122 11.689 11.056 1.00 0.00 C ATOM 571 CE LYS A 44 -15.293 13.210 11.060 1.00 0.00 C ATOM 572 NZ LYS A 44 -14.594 13.807 12.220 1.00 0.00 N ATOM 0 H LYS A 44 -14.484 9.195 7.324 1.00 0.00 H new ATOM 0 HA LYS A 44 -14.054 8.835 10.066 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.196 10.051 8.379 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.481 9.830 10.094 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.797 10.931 9.534 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.079 11.954 8.916 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.020 11.217 11.456 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.297 11.410 11.712 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.898 13.629 10.135 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.353 13.463 11.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.282 14.010 12.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.879 13.140 12.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.129 14.690 11.928 1.00 0.00 H new ATOM 583 N LYS A 45 -15.912 6.595 8.738 1.00 0.00 N ATOM 584 CA LYS A 45 -16.628 5.355 8.983 1.00 0.00 C ATOM 585 C LYS A 45 -15.648 4.296 9.491 1.00 0.00 C ATOM 586 O LYS A 45 -16.013 3.132 9.653 1.00 0.00 O ATOM 587 CB LYS A 45 -17.403 4.928 7.735 1.00 0.00 C ATOM 588 CG LYS A 45 -18.152 6.113 7.122 1.00 0.00 C ATOM 589 CD LYS A 45 -19.289 5.634 6.217 1.00 0.00 C ATOM 590 CE LYS A 45 -20.093 6.818 5.675 1.00 0.00 C ATOM 591 NZ LYS A 45 -21.371 6.956 6.409 1.00 0.00 N ATOM 0 H LYS A 45 -15.693 6.775 7.758 1.00 0.00 H new ATOM 0 HA LYS A 45 -17.377 5.496 9.762 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -16.715 4.509 7.001 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -18.111 4.141 7.994 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -18.555 6.743 7.915 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.459 6.728 6.547 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -18.880 5.057 5.388 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -19.947 4.968 6.775 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -19.511 7.735 5.771 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -20.291 6.675 4.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -21.904 7.764 6.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -21.932 6.087 6.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -21.176 7.114 7.418 1.00 0.00 H new ATOM 602 N SER A 46 -14.421 4.736 9.727 1.00 0.00 N ATOM 603 CA SER A 46 -13.384 3.841 10.212 1.00 0.00 C ATOM 604 C SER A 46 -13.533 3.637 11.722 1.00 0.00 C ATOM 605 O SER A 46 -14.052 2.614 12.165 1.00 0.00 O ATOM 606 CB SER A 46 -11.991 4.382 9.885 1.00 0.00 C ATOM 607 OG SER A 46 -11.735 5.624 10.534 1.00 0.00 O ATOM 0 H SER A 46 -14.121 5.701 9.591 1.00 0.00 H new ATOM 0 HA SER A 46 -13.498 2.881 9.708 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.239 3.653 10.187 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.896 4.510 8.807 1.00 0.00 H new ATOM 0 HG SER A 46 -12.173 6.348 10.039 1.00 0.00 H new ATOM 613 N GLY A 47 -13.069 4.628 12.469 1.00 0.00 N ATOM 614 CA GLY A 47 -13.144 4.571 13.919 1.00 0.00 C ATOM 615 C GLY A 47 -12.224 5.613 14.557 1.00 0.00 C ATOM 616 O GLY A 47 -12.487 6.084 15.662 1.00 0.00 O ATOM 0 H GLY A 47 -12.640 5.475 12.097 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.171 4.742 14.241 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.864 3.575 14.262 1.00 0.00 H new ATOM 620 N LEU A 48 -11.164 5.941 13.834 1.00 0.00 N ATOM 621 CA LEU A 48 -10.203 6.919 14.316 1.00 0.00 C ATOM 622 C LEU A 48 -10.872 8.294 14.385 1.00 0.00 C ATOM 623 O LEU A 48 -11.903 8.518 13.754 1.00 0.00 O ATOM 624 CB LEU A 48 -8.937 6.894 13.458 1.00 0.00 C ATOM 625 CG LEU A 48 -7.912 5.812 13.806 1.00 0.00 C ATOM 626 CD1 LEU A 48 -6.924 5.602 12.657 1.00 0.00 C ATOM 627 CD2 LEU A 48 -7.200 6.135 15.122 1.00 0.00 C ATOM 0 H LEU A 48 -10.949 5.547 12.918 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.880 6.670 15.327 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.231 6.767 12.416 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.450 7.866 13.536 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.444 4.871 13.949 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.207 4.828 12.931 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.466 5.295 11.763 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.394 6.534 12.458 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.477 5.351 15.347 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.683 7.090 15.031 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.933 6.194 15.927 1.00 0.00 H new ATOM 639 N PRO A 49 -10.240 9.201 15.178 1.00 0.00 N ATOM 640 CA PRO A 49 -10.763 10.547 15.337 1.00 0.00 C ATOM 641 C PRO A 49 -10.489 11.393 14.092 1.00 0.00 C ATOM 642 O PRO A 49 -10.148 10.859 13.038 1.00 0.00 O ATOM 643 CB PRO A 49 -10.082 11.088 16.584 1.00 0.00 C ATOM 644 CG PRO A 49 -8.864 10.207 16.809 1.00 0.00 C ATOM 645 CD PRO A 49 -9.016 8.970 15.939 1.00 0.00 C ATOM 0 HA PRO A 49 -11.847 10.566 15.450 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.791 12.130 16.449 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.753 11.053 17.442 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.951 10.745 16.552 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.784 9.927 17.859 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.158 8.842 15.279 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.091 8.067 16.544 1.00 0.00 H new ATOM 653 N ASP A 50 -10.649 12.698 14.255 1.00 0.00 N ATOM 654 CA ASP A 50 -10.424 13.623 13.157 1.00 0.00 C ATOM 655 C ASP A 50 -8.996 14.165 13.238 1.00 0.00 C ATOM 656 O ASP A 50 -8.357 14.397 12.213 1.00 0.00 O ATOM 657 CB ASP A 50 -11.386 14.810 13.231 1.00 0.00 C ATOM 658 CG ASP A 50 -11.206 15.713 14.453 1.00 0.00 C ATOM 659 OD1 ASP A 50 -10.510 16.738 14.393 1.00 0.00 O ATOM 660 OD2 ASP A 50 -11.824 15.322 15.516 1.00 0.00 O ATOM 0 H ASP A 50 -10.932 13.137 15.131 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.587 13.085 12.223 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.265 15.413 12.331 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.408 14.431 13.225 1.00 0.00 H new ATOM 666 N LEU A 51 -8.536 14.351 14.467 1.00 0.00 N ATOM 667 CA LEU A 51 -7.195 14.862 14.695 1.00 0.00 C ATOM 668 C LEU A 51 -6.177 13.908 14.067 1.00 0.00 C ATOM 669 O LEU A 51 -5.341 14.326 13.267 1.00 0.00 O ATOM 670 CB LEU A 51 -6.964 15.114 16.186 1.00 0.00 C ATOM 671 CG LEU A 51 -6.192 14.027 16.938 1.00 0.00 C ATOM 672 CD1 LEU A 51 -5.421 14.620 18.119 1.00 0.00 C ATOM 673 CD2 LEU A 51 -7.122 12.893 17.372 1.00 0.00 C ATOM 0 H LEU A 51 -9.068 14.157 15.315 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.068 15.829 14.209 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.426 16.056 16.296 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.934 15.242 16.667 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.458 13.597 16.257 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.881 13.827 18.636 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.712 15.363 17.754 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.120 15.093 18.809 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.547 12.135 17.904 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.896 13.289 18.029 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.586 12.446 16.493 1.00 0.00 H new ATOM 685 N ILE A 52 -6.281 12.645 14.454 1.00 0.00 N ATOM 686 CA ILE A 52 -5.379 11.629 13.938 1.00 0.00 C ATOM 687 C ILE A 52 -5.546 11.527 12.421 1.00 0.00 C ATOM 688 O ILE A 52 -4.575 11.299 11.700 1.00 0.00 O ATOM 689 CB ILE A 52 -5.593 10.303 14.671 1.00 0.00 C ATOM 690 CG1 ILE A 52 -5.000 10.353 16.080 1.00 0.00 C ATOM 691 CG2 ILE A 52 -5.038 9.132 13.857 1.00 0.00 C ATOM 692 CD1 ILE A 52 -3.614 9.707 16.116 1.00 0.00 C ATOM 0 H ILE A 52 -6.975 12.302 15.118 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.342 11.908 14.126 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.666 10.141 14.779 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.931 11.389 16.413 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.663 9.838 16.776 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.203 8.201 14.400 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.546 9.085 12.894 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.969 9.274 13.697 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.216 9.756 17.129 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.690 8.665 15.806 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.947 10.239 15.438 1.00 0.00 H new ATOM 704 N LEU A 53 -6.783 11.702 11.980 1.00 0.00 N ATOM 705 CA LEU A 53 -7.089 11.633 10.562 1.00 0.00 C ATOM 706 C LEU A 53 -6.381 12.779 9.835 1.00 0.00 C ATOM 707 O LEU A 53 -5.705 12.558 8.832 1.00 0.00 O ATOM 708 CB LEU A 53 -8.603 11.607 10.341 1.00 0.00 C ATOM 709 CG LEU A 53 -9.233 10.222 10.178 1.00 0.00 C ATOM 710 CD1 LEU A 53 -10.760 10.306 10.221 1.00 0.00 C ATOM 711 CD2 LEU A 53 -8.732 9.538 8.905 1.00 0.00 C ATOM 0 H LEU A 53 -7.585 11.892 12.581 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.712 10.703 10.136 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.082 12.105 11.184 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.831 12.195 9.452 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.921 9.604 11.019 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.183 9.308 10.103 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.075 10.723 11.178 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.112 10.947 9.413 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.195 8.556 8.813 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.994 10.145 8.038 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.649 9.425 8.955 1.00 0.00 H new ATOM 723 N GLY A 54 -6.562 13.977 10.371 1.00 0.00 N ATOM 724 CA GLY A 54 -5.949 15.158 9.786 1.00 0.00 C ATOM 725 C GLY A 54 -4.514 14.868 9.342 1.00 0.00 C ATOM 726 O GLY A 54 -4.100 15.278 8.258 1.00 0.00 O ATOM 0 H GLY A 54 -7.124 14.156 11.203 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.537 15.492 8.931 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.952 15.971 10.512 1.00 0.00 H new ATOM 730 N LYS A 55 -3.793 14.162 10.201 1.00 0.00 N ATOM 731 CA LYS A 55 -2.413 13.812 9.911 1.00 0.00 C ATOM 732 C LYS A 55 -2.370 12.902 8.681 1.00 0.00 C ATOM 733 O LYS A 55 -1.523 13.075 7.806 1.00 0.00 O ATOM 734 CB LYS A 55 -1.742 13.209 11.146 1.00 0.00 C ATOM 735 CG LYS A 55 -1.422 14.291 12.180 1.00 0.00 C ATOM 736 CD LYS A 55 -0.127 13.969 12.928 1.00 0.00 C ATOM 737 CE LYS A 55 1.005 14.901 12.491 1.00 0.00 C ATOM 738 NZ LYS A 55 2.145 14.120 11.962 1.00 0.00 N ATOM 0 H LYS A 55 -4.139 13.823 11.099 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.837 14.705 9.668 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.396 12.459 11.590 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.825 12.698 10.853 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.329 15.257 11.684 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.245 14.375 12.890 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.289 14.066 14.001 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.157 12.933 12.741 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.643 15.589 11.727 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.332 15.506 13.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.904 14.768 11.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.501 13.481 12.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.833 13.561 11.142 1.00 0.00 H new ATOM 749 N ILE A 56 -3.294 11.953 8.655 1.00 0.00 N ATOM 750 CA ILE A 56 -3.372 11.015 7.548 1.00 0.00 C ATOM 751 C ILE A 56 -3.543 11.790 6.240 1.00 0.00 C ATOM 752 O ILE A 56 -2.747 11.637 5.314 1.00 0.00 O ATOM 753 CB ILE A 56 -4.471 9.981 7.798 1.00 0.00 C ATOM 754 CG1 ILE A 56 -4.056 8.992 8.888 1.00 0.00 C ATOM 755 CG2 ILE A 56 -4.862 9.272 6.500 1.00 0.00 C ATOM 756 CD1 ILE A 56 -5.099 7.884 9.051 1.00 0.00 C ATOM 0 H ILE A 56 -3.995 11.813 9.383 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.445 10.447 7.464 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.356 10.505 8.159 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.090 8.553 8.637 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.930 9.519 9.834 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.645 8.542 6.706 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.229 10.005 5.781 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.991 8.763 6.087 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.779 7.195 9.832 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.058 8.324 9.326 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.205 7.343 8.111 1.00 0.00 H new ATOM 768 N TRP A 57 -4.586 12.607 6.205 1.00 0.00 N ATOM 769 CA TRP A 57 -4.871 13.406 5.026 1.00 0.00 C ATOM 770 C TRP A 57 -3.625 14.232 4.701 1.00 0.00 C ATOM 771 O TRP A 57 -3.114 14.178 3.584 1.00 0.00 O ATOM 772 CB TRP A 57 -6.120 14.266 5.236 1.00 0.00 C ATOM 773 CG TRP A 57 -6.705 14.839 3.943 1.00 0.00 C ATOM 774 CD1 TRP A 57 -6.286 15.906 3.249 1.00 0.00 C ATOM 775 CD2 TRP A 57 -7.841 14.328 3.214 1.00 0.00 C ATOM 776 NE1 TRP A 57 -7.065 16.119 2.131 1.00 0.00 N ATOM 777 CE2 TRP A 57 -8.041 15.129 2.108 1.00 0.00 C ATOM 778 CE3 TRP A 57 -8.672 13.225 3.479 1.00 0.00 C ATOM 779 CZ2 TRP A 57 -9.067 14.913 1.180 1.00 0.00 C ATOM 780 CZ3 TRP A 57 -9.692 13.023 2.543 1.00 0.00 C ATOM 781 CH2 TRP A 57 -9.907 13.821 1.425 1.00 0.00 C ATOM 0 H TRP A 57 -5.244 12.732 6.974 1.00 0.00 H new ATOM 0 HA TRP A 57 -5.097 12.767 4.172 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -6.882 13.666 5.733 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -5.874 15.089 5.907 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -5.444 16.522 3.530 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -6.947 16.866 1.446 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -8.534 12.584 4.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -9.203 15.554 0.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -10.359 12.188 2.700 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -10.719 13.599 0.748 1.00 0.00 H new ATOM 792 N ASP A 58 -3.171 14.977 5.699 1.00 0.00 N ATOM 793 CA ASP A 58 -1.994 15.813 5.533 1.00 0.00 C ATOM 794 C ASP A 58 -0.912 15.021 4.796 1.00 0.00 C ATOM 795 O ASP A 58 -0.300 15.526 3.856 1.00 0.00 O ATOM 796 CB ASP A 58 -1.427 16.241 6.888 1.00 0.00 C ATOM 797 CG ASP A 58 -0.538 17.485 6.853 1.00 0.00 C ATOM 798 OD1 ASP A 58 0.651 17.430 7.199 1.00 0.00 O ATOM 799 OD2 ASP A 58 -1.122 18.561 6.445 1.00 0.00 O ATOM 0 H ASP A 58 -3.597 15.019 6.625 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.286 16.699 4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.257 16.425 7.570 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.851 15.413 7.302 1.00 0.00 H new ATOM 805 N LEU A 59 -0.708 13.794 5.251 1.00 0.00 N ATOM 806 CA LEU A 59 0.290 12.928 4.647 1.00 0.00 C ATOM 807 C LEU A 59 -0.236 12.407 3.308 1.00 0.00 C ATOM 808 O LEU A 59 0.541 12.136 2.394 1.00 0.00 O ATOM 809 CB LEU A 59 0.697 11.820 5.620 1.00 0.00 C ATOM 810 CG LEU A 59 1.420 10.619 5.005 1.00 0.00 C ATOM 811 CD1 LEU A 59 0.422 9.619 4.420 1.00 0.00 C ATOM 812 CD2 LEU A 59 2.451 11.072 3.970 1.00 0.00 C ATOM 0 H LEU A 59 -1.217 13.379 6.031 1.00 0.00 H new ATOM 0 HA LEU A 59 1.202 13.487 4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.341 12.254 6.385 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.199 11.460 6.125 1.00 0.00 H new ATOM 0 HG LEU A 59 1.963 10.105 5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.962 8.776 3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.240 9.262 5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.168 10.106 3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.951 10.200 3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.950 11.623 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.188 11.716 4.449 1.00 0.00 H new ATOM 824 N ALA A 60 -1.553 12.283 3.234 1.00 0.00 N ATOM 825 CA ALA A 60 -2.193 11.800 2.021 1.00 0.00 C ATOM 826 C ALA A 60 -2.051 12.854 0.921 1.00 0.00 C ATOM 827 O ALA A 60 -1.350 12.635 -0.066 1.00 0.00 O ATOM 828 CB ALA A 60 -3.654 11.458 2.316 1.00 0.00 C ATOM 0 H ALA A 60 -2.195 12.508 3.994 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.710 10.889 1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.134 11.096 1.407 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.699 10.684 3.083 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.172 12.349 2.669 1.00 0.00 H new ATOM 834 N ASP A 61 -2.728 13.974 1.128 1.00 0.00 N ATOM 835 CA ASP A 61 -2.687 15.061 0.165 1.00 0.00 C ATOM 836 C ASP A 61 -1.274 15.173 -0.412 1.00 0.00 C ATOM 837 O ASP A 61 -0.302 15.278 0.334 1.00 0.00 O ATOM 838 CB ASP A 61 -3.034 16.396 0.828 1.00 0.00 C ATOM 839 CG ASP A 61 -2.690 17.637 0.001 1.00 0.00 C ATOM 840 OD1 ASP A 61 -1.512 17.989 -0.163 1.00 0.00 O ATOM 841 OD2 ASP A 61 -3.704 18.262 -0.492 1.00 0.00 O ATOM 0 H ASP A 61 -3.308 14.152 1.948 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.415 14.846 -0.618 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.102 16.409 1.048 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.511 16.457 1.782 1.00 0.00 H new ATOM 847 N THR A 62 -1.206 15.147 -1.734 1.00 0.00 N ATOM 848 CA THR A 62 0.072 15.244 -2.420 1.00 0.00 C ATOM 849 C THR A 62 -0.134 15.679 -3.872 1.00 0.00 C ATOM 850 O THR A 62 0.597 16.529 -4.379 1.00 0.00 O ATOM 851 CB THR A 62 0.784 13.897 -2.284 1.00 0.00 C ATOM 852 OG1 THR A 62 1.381 13.948 -0.991 1.00 0.00 O ATOM 853 CG2 THR A 62 1.974 13.765 -3.238 1.00 0.00 C ATOM 0 H THR A 62 -2.015 15.060 -2.349 1.00 0.00 H new ATOM 0 HA THR A 62 0.705 16.010 -1.971 1.00 0.00 H new ATOM 0 HB THR A 62 0.075 13.091 -2.473 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.029 14.719 -0.498 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.444 12.791 -3.101 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.627 13.859 -4.267 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.699 14.551 -3.026 1.00 0.00 H new ATOM 861 N ASP A 63 -1.132 15.076 -4.501 1.00 0.00 N ATOM 862 CA ASP A 63 -1.443 15.390 -5.885 1.00 0.00 C ATOM 863 C ASP A 63 -1.834 16.866 -5.993 1.00 0.00 C ATOM 864 O ASP A 63 -1.468 17.540 -6.955 1.00 0.00 O ATOM 865 CB ASP A 63 -2.619 14.552 -6.390 1.00 0.00 C ATOM 866 CG ASP A 63 -2.694 14.391 -7.910 1.00 0.00 C ATOM 867 OD1 ASP A 63 -2.205 15.243 -8.667 1.00 0.00 O ATOM 868 OD2 ASP A 63 -3.292 13.323 -8.316 1.00 0.00 O ATOM 0 H ASP A 63 -1.736 14.371 -4.077 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.560 15.172 -6.486 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.561 13.562 -5.937 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.546 15.008 -6.042 1.00 0.00 H new ATOM 874 N GLY A 64 -2.573 17.324 -4.993 1.00 0.00 N ATOM 875 CA GLY A 64 -3.017 18.707 -4.964 1.00 0.00 C ATOM 876 C GLY A 64 -4.536 18.798 -5.123 1.00 0.00 C ATOM 877 O GLY A 64 -5.198 17.794 -5.380 1.00 0.00 O ATOM 0 H GLY A 64 -2.875 16.762 -4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.718 19.169 -4.023 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.530 19.266 -5.763 1.00 0.00 H new ATOM 881 N LYS A 65 -5.044 20.011 -4.963 1.00 0.00 N ATOM 882 CA LYS A 65 -6.473 20.247 -5.085 1.00 0.00 C ATOM 883 C LYS A 65 -7.197 19.587 -3.910 1.00 0.00 C ATOM 884 O LYS A 65 -7.561 20.257 -2.946 1.00 0.00 O ATOM 885 CB LYS A 65 -6.976 19.786 -6.455 1.00 0.00 C ATOM 886 CG LYS A 65 -8.454 20.136 -6.642 1.00 0.00 C ATOM 887 CD LYS A 65 -8.635 21.632 -6.902 1.00 0.00 C ATOM 888 CE LYS A 65 -9.078 21.889 -8.344 1.00 0.00 C ATOM 889 NZ LYS A 65 -7.901 22.041 -9.229 1.00 0.00 N ATOM 0 H LYS A 65 -4.491 20.841 -4.750 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.689 21.314 -5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.385 20.256 -7.241 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.838 18.709 -6.554 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.863 19.566 -7.476 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.015 19.847 -5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.376 22.037 -6.213 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.698 22.154 -6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.698 21.063 -8.693 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.691 22.789 -8.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.220 22.215 -10.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.324 22.844 -8.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.331 21.172 -9.201 1.00 0.00 H new ATOM 900 N GLY A 66 -7.383 18.280 -4.030 1.00 0.00 N ATOM 901 CA GLY A 66 -8.057 17.522 -2.990 1.00 0.00 C ATOM 902 C GLY A 66 -8.388 16.107 -3.469 1.00 0.00 C ATOM 903 O GLY A 66 -8.185 15.138 -2.740 1.00 0.00 O ATOM 0 H GLY A 66 -7.079 17.727 -4.831 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.424 17.471 -2.104 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.974 18.034 -2.698 1.00 0.00 H new ATOM 907 N VAL A 67 -8.891 16.034 -4.693 1.00 0.00 N ATOM 908 CA VAL A 67 -9.252 14.754 -5.278 1.00 0.00 C ATOM 909 C VAL A 67 -8.192 13.713 -4.911 1.00 0.00 C ATOM 910 O VAL A 67 -7.013 14.041 -4.782 1.00 0.00 O ATOM 911 CB VAL A 67 -9.444 14.905 -6.789 1.00 0.00 C ATOM 912 CG1 VAL A 67 -9.976 13.610 -7.406 1.00 0.00 C ATOM 913 CG2 VAL A 67 -10.364 16.084 -7.109 1.00 0.00 C ATOM 0 H VAL A 67 -9.057 16.840 -5.295 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.203 14.405 -4.876 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.470 15.111 -7.232 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.104 13.744 -8.480 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.268 12.802 -7.223 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.936 13.360 -6.955 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.484 16.169 -8.189 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.338 15.921 -6.648 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.927 17.003 -6.719 1.00 0.00 H new ATOM 923 N LEU A 68 -8.649 12.480 -4.752 1.00 0.00 N ATOM 924 CA LEU A 68 -7.755 11.390 -4.403 1.00 0.00 C ATOM 925 C LEU A 68 -7.435 10.576 -5.658 1.00 0.00 C ATOM 926 O LEU A 68 -8.001 10.821 -6.722 1.00 0.00 O ATOM 927 CB LEU A 68 -8.346 10.556 -3.264 1.00 0.00 C ATOM 928 CG LEU A 68 -8.834 11.339 -2.043 1.00 0.00 C ATOM 929 CD1 LEU A 68 -9.441 10.402 -0.997 1.00 0.00 C ATOM 930 CD2 LEU A 68 -7.712 12.200 -1.459 1.00 0.00 C ATOM 0 H LEU A 68 -9.627 12.212 -4.859 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.810 11.780 -4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.182 9.979 -3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.592 9.841 -2.935 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.625 12.016 -2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.780 10.984 -0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.287 9.871 -1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.689 9.683 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.086 12.746 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.883 11.561 -1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.367 12.908 -2.213 1.00 0.00 H new ATOM 942 N SER A 69 -6.529 9.623 -5.492 1.00 0.00 N ATOM 943 CA SER A 69 -6.127 8.772 -6.598 1.00 0.00 C ATOM 944 C SER A 69 -6.206 7.301 -6.182 1.00 0.00 C ATOM 945 O SER A 69 -6.992 6.941 -5.308 1.00 0.00 O ATOM 946 CB SER A 69 -4.713 9.114 -7.071 1.00 0.00 C ATOM 947 OG SER A 69 -4.461 10.516 -7.030 1.00 0.00 O ATOM 0 H SER A 69 -6.062 9.422 -4.608 1.00 0.00 H new ATOM 0 HA SER A 69 -6.811 8.946 -7.429 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.986 8.597 -6.445 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.573 8.750 -8.089 1.00 0.00 H new ATOM 0 HG SER A 69 -3.548 10.693 -7.338 1.00 0.00 H new ATOM 953 N LYS A 70 -5.380 6.492 -6.829 1.00 0.00 N ATOM 954 CA LYS A 70 -5.347 5.068 -6.537 1.00 0.00 C ATOM 955 C LYS A 70 -4.588 4.838 -5.229 1.00 0.00 C ATOM 956 O LYS A 70 -5.187 4.821 -4.155 1.00 0.00 O ATOM 957 CB LYS A 70 -4.774 4.292 -7.725 1.00 0.00 C ATOM 958 CG LYS A 70 -5.839 4.074 -8.802 1.00 0.00 C ATOM 959 CD LYS A 70 -5.903 5.267 -9.758 1.00 0.00 C ATOM 960 CE LYS A 70 -6.404 4.836 -11.138 1.00 0.00 C ATOM 961 NZ LYS A 70 -5.298 4.261 -11.936 1.00 0.00 N ATOM 0 H LYS A 70 -4.729 6.795 -7.554 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.357 4.685 -6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.930 4.838 -8.148 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.393 3.329 -7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.615 3.166 -9.362 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.812 3.927 -8.332 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.565 6.031 -9.349 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.915 5.718 -9.850 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.201 4.101 -11.028 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.830 5.693 -11.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.656 3.974 -12.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.550 4.973 -12.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.910 3.431 -11.444 1.00 0.00 H new ATOM 972 N GLN A 71 -3.281 4.667 -5.362 1.00 0.00 N ATOM 973 CA GLN A 71 -2.434 4.438 -4.203 1.00 0.00 C ATOM 974 C GLN A 71 -2.787 5.422 -3.086 1.00 0.00 C ATOM 975 O GLN A 71 -3.005 5.019 -1.945 1.00 0.00 O ATOM 976 CB GLN A 71 -0.954 4.540 -4.577 1.00 0.00 C ATOM 977 CG GLN A 71 -0.206 3.258 -4.208 1.00 0.00 C ATOM 978 CD GLN A 71 0.782 3.509 -3.066 1.00 0.00 C ATOM 979 OE1 GLN A 71 1.606 4.407 -3.111 1.00 0.00 O ATOM 980 NE2 GLN A 71 0.653 2.668 -2.045 1.00 0.00 N ATOM 0 H GLN A 71 -2.787 4.682 -6.255 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.614 3.426 -3.839 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.858 4.727 -5.647 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.503 5.389 -4.063 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.919 2.488 -3.914 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.329 2.881 -5.080 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.059 1.938 -2.072 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.266 2.753 -1.234 1.00 0.00 H new ATOM 989 N GLU A 72 -2.831 6.694 -3.454 1.00 0.00 N ATOM 990 CA GLU A 72 -3.153 7.739 -2.497 1.00 0.00 C ATOM 991 C GLU A 72 -4.260 7.269 -1.550 1.00 0.00 C ATOM 992 O GLU A 72 -4.021 7.073 -0.359 1.00 0.00 O ATOM 993 CB GLU A 72 -3.555 9.032 -3.210 1.00 0.00 C ATOM 994 CG GLU A 72 -2.374 10.000 -3.296 1.00 0.00 C ATOM 995 CD GLU A 72 -2.745 11.370 -2.725 1.00 0.00 C ATOM 996 OE1 GLU A 72 -3.304 11.450 -1.621 1.00 0.00 O ATOM 997 OE2 GLU A 72 -2.433 12.375 -3.471 1.00 0.00 O ATOM 0 H GLU A 72 -2.649 7.025 -4.402 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.261 7.950 -1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.915 8.802 -4.213 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.379 9.505 -2.676 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.524 9.592 -2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.062 10.107 -4.335 1.00 0.00 H new ATOM 1005 N PHE A 73 -5.446 7.101 -2.115 1.00 0.00 N ATOM 1006 CA PHE A 73 -6.590 6.658 -1.336 1.00 0.00 C ATOM 1007 C PHE A 73 -6.314 5.303 -0.680 1.00 0.00 C ATOM 1008 O PHE A 73 -6.613 5.107 0.497 1.00 0.00 O ATOM 1009 CB PHE A 73 -7.763 6.512 -2.307 1.00 0.00 C ATOM 1010 CG PHE A 73 -8.969 5.776 -1.720 1.00 0.00 C ATOM 1011 CD1 PHE A 73 -8.895 4.441 -1.471 1.00 0.00 C ATOM 1012 CD2 PHE A 73 -10.115 6.456 -1.448 1.00 0.00 C ATOM 1013 CE1 PHE A 73 -10.014 3.757 -0.926 1.00 0.00 C ATOM 1014 CE2 PHE A 73 -11.234 5.772 -0.903 1.00 0.00 C ATOM 1015 CZ PHE A 73 -11.160 4.437 -0.654 1.00 0.00 C ATOM 0 H PHE A 73 -5.640 7.264 -3.103 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.804 7.378 -0.546 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -8.078 7.504 -2.632 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.422 5.979 -3.195 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.985 3.901 -1.688 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.174 7.516 -1.646 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -9.955 2.697 -0.728 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -12.144 6.312 -0.686 1.00 0.00 H new ATOM 0 HZ PHE A 73 -12.011 3.917 -0.240 1.00 0.00 H new ATOM 1025 N PHE A 74 -5.748 4.404 -1.470 1.00 0.00 N ATOM 1026 CA PHE A 74 -5.429 3.073 -0.981 1.00 0.00 C ATOM 1027 C PHE A 74 -4.392 3.136 0.142 1.00 0.00 C ATOM 1028 O PHE A 74 -4.143 2.139 0.819 1.00 0.00 O ATOM 1029 CB PHE A 74 -4.841 2.293 -2.159 1.00 0.00 C ATOM 1030 CG PHE A 74 -5.796 1.258 -2.758 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -7.026 1.641 -3.195 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -5.415 -0.044 -2.853 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -7.912 0.681 -3.751 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -6.301 -1.004 -3.410 1.00 0.00 C ATOM 1035 CZ PHE A 74 -7.531 -0.622 -3.847 1.00 0.00 C ATOM 0 H PHE A 74 -5.502 4.570 -2.446 1.00 0.00 H new ATOM 0 HA PHE A 74 -6.326 2.597 -0.585 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -4.549 2.997 -2.938 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -3.933 1.787 -1.830 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.328 2.675 -3.119 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.439 -0.348 -2.505 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.889 0.985 -4.098 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.998 -2.038 -3.487 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.205 -1.352 -4.270 1.00 0.00 H new ATOM 1045 N VAL A 75 -3.815 4.317 0.306 1.00 0.00 N ATOM 1046 CA VAL A 75 -2.810 4.523 1.335 1.00 0.00 C ATOM 1047 C VAL A 75 -3.481 5.080 2.593 1.00 0.00 C ATOM 1048 O VAL A 75 -3.383 4.488 3.667 1.00 0.00 O ATOM 1049 CB VAL A 75 -1.694 5.425 0.804 1.00 0.00 C ATOM 1050 CG1 VAL A 75 -1.141 6.324 1.913 1.00 0.00 C ATOM 1051 CG2 VAL A 75 -0.579 4.597 0.163 1.00 0.00 C ATOM 0 H VAL A 75 -4.024 5.142 -0.257 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.343 3.577 1.607 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.120 6.067 0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.349 6.955 1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.941 6.952 2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.738 5.706 2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.202 5.262 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.157 3.919 0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.986 4.019 -0.667 1.00 0.00 H new ATOM 1061 N ALA A 76 -4.149 6.211 2.417 1.00 0.00 N ATOM 1062 CA ALA A 76 -4.836 6.854 3.524 1.00 0.00 C ATOM 1063 C ALA A 76 -5.762 5.841 4.201 1.00 0.00 C ATOM 1064 O ALA A 76 -6.017 5.934 5.401 1.00 0.00 O ATOM 1065 CB ALA A 76 -5.590 8.083 3.012 1.00 0.00 C ATOM 0 H ALA A 76 -4.229 6.698 1.524 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.122 7.198 4.272 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.106 8.566 3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.884 8.784 2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.319 7.776 2.262 1.00 0.00 H new ATOM 1071 N LEU A 77 -6.239 4.898 3.403 1.00 0.00 N ATOM 1072 CA LEU A 77 -7.131 3.869 3.910 1.00 0.00 C ATOM 1073 C LEU A 77 -6.376 2.993 4.911 1.00 0.00 C ATOM 1074 O LEU A 77 -6.627 3.060 6.113 1.00 0.00 O ATOM 1075 CB LEU A 77 -7.755 3.084 2.754 1.00 0.00 C ATOM 1076 CG LEU A 77 -9.284 3.031 2.728 1.00 0.00 C ATOM 1077 CD1 LEU A 77 -9.781 2.049 1.665 1.00 0.00 C ATOM 1078 CD2 LEU A 77 -9.845 2.706 4.114 1.00 0.00 C ATOM 0 H LEU A 77 -6.025 4.825 2.408 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.966 4.319 4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.410 3.521 1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.376 2.062 2.788 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.655 4.018 2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.871 2.031 1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.426 2.364 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.401 1.051 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.934 2.674 4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.467 1.737 4.441 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.534 3.475 4.822 1.00 0.00 H new ATOM 1090 N ARG A 78 -5.464 2.192 4.378 1.00 0.00 N ATOM 1091 CA ARG A 78 -4.671 1.304 5.210 1.00 0.00 C ATOM 1092 C ARG A 78 -4.043 2.082 6.369 1.00 0.00 C ATOM 1093 O ARG A 78 -4.009 1.599 7.499 1.00 0.00 O ATOM 1094 CB ARG A 78 -3.563 0.632 4.397 1.00 0.00 C ATOM 1095 CG ARG A 78 -4.084 -0.623 3.694 1.00 0.00 C ATOM 1096 CD ARG A 78 -4.757 -1.570 4.689 1.00 0.00 C ATOM 1097 NE ARG A 78 -6.226 -1.396 4.639 1.00 0.00 N ATOM 1098 CZ ARG A 78 -7.114 -2.369 4.934 1.00 0.00 C ATOM 1099 NH1 ARG A 78 -6.689 -3.596 5.303 1.00 0.00 N ATOM 1100 NH2 ARG A 78 -8.404 -2.102 4.856 1.00 0.00 N ATOM 0 H ARG A 78 -5.257 2.140 3.381 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.336 0.535 5.602 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.174 1.332 3.658 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.734 0.368 5.054 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.795 -0.340 2.918 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.259 -1.136 3.199 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.497 -2.602 4.455 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.393 -1.370 5.697 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.590 -0.484 4.364 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.690 -3.794 5.361 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.367 -4.325 5.524 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.716 -1.172 4.576 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.089 -2.825 5.075 1.00 0.00 H new ATOM 1113 N LEU A 79 -3.561 3.274 6.047 1.00 0.00 N ATOM 1114 CA LEU A 79 -2.937 4.123 7.047 1.00 0.00 C ATOM 1115 C LEU A 79 -3.806 4.146 8.306 1.00 0.00 C ATOM 1116 O LEU A 79 -3.296 4.030 9.419 1.00 0.00 O ATOM 1117 CB LEU A 79 -2.654 5.512 6.469 1.00 0.00 C ATOM 1118 CG LEU A 79 -1.517 6.294 7.130 1.00 0.00 C ATOM 1119 CD1 LEU A 79 -1.331 7.659 6.464 1.00 0.00 C ATOM 1120 CD2 LEU A 79 -1.741 6.418 8.638 1.00 0.00 C ATOM 0 H LEU A 79 -3.590 3.671 5.108 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.967 3.720 7.337 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.425 5.403 5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.565 6.106 6.539 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.591 5.737 6.987 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.517 8.194 6.953 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.092 7.520 5.410 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.251 8.236 6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.919 6.978 9.083 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.679 6.941 8.825 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.785 5.424 9.082 1.00 0.00 H new ATOM 1132 N VAL A 80 -5.104 4.298 8.087 1.00 0.00 N ATOM 1133 CA VAL A 80 -6.050 4.337 9.190 1.00 0.00 C ATOM 1134 C VAL A 80 -5.842 3.109 10.078 1.00 0.00 C ATOM 1135 O VAL A 80 -5.854 3.216 11.304 1.00 0.00 O ATOM 1136 CB VAL A 80 -7.477 4.451 8.651 1.00 0.00 C ATOM 1137 CG1 VAL A 80 -8.500 4.364 9.786 1.00 0.00 C ATOM 1138 CG2 VAL A 80 -7.659 5.740 7.847 1.00 0.00 C ATOM 0 H VAL A 80 -5.523 4.396 7.162 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.880 5.218 9.809 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.649 3.610 7.979 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.506 4.448 9.376 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.395 3.407 10.298 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.328 5.175 10.494 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.682 5.796 7.476 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.458 6.599 8.487 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.967 5.745 7.005 1.00 0.00 H new ATOM 1148 N ALA A 81 -5.655 1.971 9.426 1.00 0.00 N ATOM 1149 CA ALA A 81 -5.445 0.724 10.142 1.00 0.00 C ATOM 1150 C ALA A 81 -4.199 0.850 11.021 1.00 0.00 C ATOM 1151 O ALA A 81 -4.015 0.074 11.958 1.00 0.00 O ATOM 1152 CB ALA A 81 -5.339 -0.428 9.141 1.00 0.00 C ATOM 0 H ALA A 81 -5.645 1.886 8.410 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.290 0.510 10.796 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.181 -1.363 9.678 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.260 -0.493 8.562 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.500 -0.250 8.469 1.00 0.00 H new ATOM 1158 N CYS A 82 -3.375 1.832 10.687 1.00 0.00 N ATOM 1159 CA CYS A 82 -2.152 2.069 11.434 1.00 0.00 C ATOM 1160 C CYS A 82 -2.525 2.680 12.786 1.00 0.00 C ATOM 1161 O CYS A 82 -2.427 2.019 13.819 1.00 0.00 O ATOM 1162 CB CYS A 82 -1.177 2.956 10.657 1.00 0.00 C ATOM 1163 SG CYS A 82 0.542 2.394 10.941 1.00 0.00 S ATOM 0 H CYS A 82 -3.530 2.473 9.909 1.00 0.00 H new ATOM 0 HA CYS A 82 -1.633 1.124 11.594 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -1.409 2.920 9.593 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -1.286 3.994 10.972 1.00 0.00 H new ATOM 0 HG CYS A 82 1.371 3.269 10.454 1.00 0.00 H new ATOM 1169 N ALA A 83 -2.946 3.936 12.736 1.00 0.00 N ATOM 1170 CA ALA A 83 -3.334 4.644 13.944 1.00 0.00 C ATOM 1171 C ALA A 83 -4.340 3.796 14.725 1.00 0.00 C ATOM 1172 O ALA A 83 -4.499 3.971 15.933 1.00 0.00 O ATOM 1173 CB ALA A 83 -3.894 6.018 13.573 1.00 0.00 C ATOM 0 H ALA A 83 -3.027 4.481 11.878 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.470 4.807 14.588 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.185 6.549 14.479 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.132 6.591 13.045 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.765 5.894 12.929 1.00 0.00 H new ATOM 1179 N GLN A 84 -4.994 2.896 14.005 1.00 0.00 N ATOM 1180 CA GLN A 84 -5.980 2.021 14.615 1.00 0.00 C ATOM 1181 C GLN A 84 -5.333 1.180 15.718 1.00 0.00 C ATOM 1182 O GLN A 84 -6.004 0.765 16.661 1.00 0.00 O ATOM 1183 CB GLN A 84 -6.647 1.130 13.566 1.00 0.00 C ATOM 1184 CG GLN A 84 -7.724 1.899 12.798 1.00 0.00 C ATOM 1185 CD GLN A 84 -9.120 1.368 13.132 1.00 0.00 C ATOM 1186 OE1 GLN A 84 -9.285 0.370 13.815 1.00 0.00 O ATOM 1187 NE2 GLN A 84 -10.111 2.088 12.615 1.00 0.00 N ATOM 0 H GLN A 84 -4.860 2.754 13.004 1.00 0.00 H new ATOM 0 HA GLN A 84 -6.757 2.639 15.065 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.896 0.757 12.870 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -7.092 0.261 14.051 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -7.665 2.959 13.045 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.544 1.811 11.726 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.902 2.913 12.052 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.080 1.816 12.781 1.00 0.00 H new ATOM 1196 N ASN A 85 -4.037 0.954 15.562 1.00 0.00 N ATOM 1197 CA ASN A 85 -3.292 0.170 16.533 1.00 0.00 C ATOM 1198 C ASN A 85 -2.530 1.113 17.466 1.00 0.00 C ATOM 1199 O ASN A 85 -2.028 0.690 18.506 1.00 0.00 O ATOM 1200 CB ASN A 85 -2.272 -0.737 15.842 1.00 0.00 C ATOM 1201 CG ASN A 85 -1.301 -1.343 16.857 1.00 0.00 C ATOM 1202 OD1 ASN A 85 -0.323 -0.735 17.259 1.00 0.00 O ATOM 1203 ND2 ASN A 85 -1.624 -2.573 17.247 1.00 0.00 N ATOM 0 H ASN A 85 -3.484 1.300 14.778 1.00 0.00 H new ATOM 0 HA ASN A 85 -4.002 -0.443 17.088 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -2.791 -1.534 15.309 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -1.717 -0.165 15.098 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -1.038 -3.064 17.922 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -2.457 -3.025 16.871 1.00 0.00 H new ATOM 1210 N GLY A 86 -2.468 2.373 17.061 1.00 0.00 N ATOM 1211 CA GLY A 86 -1.776 3.379 17.849 1.00 0.00 C ATOM 1212 C GLY A 86 -0.405 3.697 17.249 1.00 0.00 C ATOM 1213 O GLY A 86 0.417 4.355 17.885 1.00 0.00 O ATOM 0 H GLY A 86 -2.886 2.720 16.198 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.377 4.287 17.894 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.656 3.025 18.873 1.00 0.00 H new ATOM 1217 N LEU A 87 -0.200 3.214 16.032 1.00 0.00 N ATOM 1218 CA LEU A 87 1.057 3.438 15.340 1.00 0.00 C ATOM 1219 C LEU A 87 1.078 4.861 14.779 1.00 0.00 C ATOM 1220 O LEU A 87 0.096 5.593 14.893 1.00 0.00 O ATOM 1221 CB LEU A 87 1.287 2.357 14.282 1.00 0.00 C ATOM 1222 CG LEU A 87 1.335 0.916 14.796 1.00 0.00 C ATOM 1223 CD1 LEU A 87 1.493 -0.073 13.640 1.00 0.00 C ATOM 1224 CD2 LEU A 87 2.432 0.746 15.849 1.00 0.00 C ATOM 0 H LEU A 87 -0.884 2.668 15.508 1.00 0.00 H new ATOM 0 HA LEU A 87 1.894 3.355 16.034 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.494 2.430 13.538 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.225 2.571 13.770 1.00 0.00 H new ATOM 0 HG LEU A 87 0.385 0.695 15.282 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.524 -1.089 14.032 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.649 0.027 12.958 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.419 0.138 13.105 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.445 -0.287 16.198 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.399 0.993 15.410 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.235 1.411 16.690 1.00 0.00 H new ATOM 1236 N GLU A 88 2.209 5.212 14.184 1.00 0.00 N ATOM 1237 CA GLU A 88 2.371 6.534 13.604 1.00 0.00 C ATOM 1238 C GLU A 88 1.260 6.809 12.588 1.00 0.00 C ATOM 1239 O GLU A 88 0.553 5.892 12.174 1.00 0.00 O ATOM 1240 CB GLU A 88 3.751 6.686 12.961 1.00 0.00 C ATOM 1241 CG GLU A 88 4.338 8.071 13.243 1.00 0.00 C ATOM 1242 CD GLU A 88 5.723 8.219 12.610 1.00 0.00 C ATOM 1243 OE1 GLU A 88 5.879 7.994 11.401 1.00 0.00 O ATOM 1244 OE2 GLU A 88 6.657 8.582 13.422 1.00 0.00 O ATOM 0 H GLU A 88 3.022 4.603 14.091 1.00 0.00 H new ATOM 0 HA GLU A 88 2.296 7.271 14.404 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.422 5.918 13.345 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.674 6.532 11.885 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.671 8.839 12.851 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.408 8.228 14.319 1.00 0.00 H new ATOM 1252 N VAL A 89 1.142 8.075 12.216 1.00 0.00 N ATOM 1253 CA VAL A 89 0.129 8.481 11.257 1.00 0.00 C ATOM 1254 C VAL A 89 0.797 8.785 9.915 1.00 0.00 C ATOM 1255 O VAL A 89 0.119 8.939 8.900 1.00 0.00 O ATOM 1256 CB VAL A 89 -0.670 9.664 11.809 1.00 0.00 C ATOM 1257 CG1 VAL A 89 -1.856 9.996 10.900 1.00 0.00 C ATOM 1258 CG2 VAL A 89 -1.136 9.391 13.240 1.00 0.00 C ATOM 0 H VAL A 89 1.731 8.833 12.561 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.584 7.674 11.090 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.011 10.532 11.831 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.407 10.840 11.315 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.491 10.254 9.906 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.515 9.131 10.831 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.701 10.247 13.608 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.770 8.505 13.253 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.269 9.226 13.880 1.00 0.00 H new ATOM 1268 N SER A 90 2.119 8.864 9.952 1.00 0.00 N ATOM 1269 CA SER A 90 2.886 9.147 8.751 1.00 0.00 C ATOM 1270 C SER A 90 3.353 7.840 8.108 1.00 0.00 C ATOM 1271 O SER A 90 3.577 6.848 8.801 1.00 0.00 O ATOM 1272 CB SER A 90 4.087 10.043 9.063 1.00 0.00 C ATOM 1273 OG SER A 90 3.712 11.412 9.191 1.00 0.00 O ATOM 0 H SER A 90 2.679 8.737 10.795 1.00 0.00 H new ATOM 0 HA SER A 90 2.241 9.679 8.051 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.559 9.708 9.987 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.830 9.943 8.271 1.00 0.00 H new ATOM 0 HG SER A 90 4.505 11.951 9.392 1.00 0.00 H new ATOM 1279 N LEU A 91 3.486 7.881 6.790 1.00 0.00 N ATOM 1280 CA LEU A 91 3.922 6.711 6.046 1.00 0.00 C ATOM 1281 C LEU A 91 5.277 6.246 6.583 1.00 0.00 C ATOM 1282 O LEU A 91 5.636 5.078 6.445 1.00 0.00 O ATOM 1283 CB LEU A 91 3.923 7.002 4.544 1.00 0.00 C ATOM 1284 CG LEU A 91 2.656 6.607 3.783 1.00 0.00 C ATOM 1285 CD1 LEU A 91 2.560 7.355 2.452 1.00 0.00 C ATOM 1286 CD2 LEU A 91 2.580 5.091 3.595 1.00 0.00 C ATOM 0 H LEU A 91 3.300 8.705 6.219 1.00 0.00 H new ATOM 0 HA LEU A 91 3.223 5.887 6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.091 8.069 4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.770 6.483 4.094 1.00 0.00 H new ATOM 0 HG LEU A 91 1.793 6.901 4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.650 7.056 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.535 8.429 2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.427 7.114 1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.670 4.837 3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.448 4.751 3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.568 4.604 4.570 1.00 0.00 H new ATOM 1298 N SER A 92 5.993 7.185 7.185 1.00 0.00 N ATOM 1299 CA SER A 92 7.301 6.885 7.743 1.00 0.00 C ATOM 1300 C SER A 92 7.209 5.671 8.669 1.00 0.00 C ATOM 1301 O SER A 92 8.213 5.012 8.937 1.00 0.00 O ATOM 1302 CB SER A 92 7.865 8.089 8.501 1.00 0.00 C ATOM 1303 OG SER A 92 8.635 8.939 7.655 1.00 0.00 O ATOM 0 H SER A 92 5.692 8.153 7.298 1.00 0.00 H new ATOM 0 HA SER A 92 7.979 6.656 6.921 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.045 8.659 8.938 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.486 7.740 9.326 1.00 0.00 H new ATOM 0 HG SER A 92 8.976 9.696 8.175 1.00 0.00 H new ATOM 1309 N SER A 93 5.995 5.412 9.134 1.00 0.00 N ATOM 1310 CA SER A 93 5.759 4.289 10.025 1.00 0.00 C ATOM 1311 C SER A 93 4.728 3.340 9.409 1.00 0.00 C ATOM 1312 O SER A 93 3.953 2.710 10.127 1.00 0.00 O ATOM 1313 CB SER A 93 5.287 4.765 11.400 1.00 0.00 C ATOM 1314 OG SER A 93 5.910 4.043 12.458 1.00 0.00 O ATOM 0 H SER A 93 5.165 5.961 8.910 1.00 0.00 H new ATOM 0 HA SER A 93 6.700 3.756 10.159 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.504 5.828 11.510 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.205 4.651 11.471 1.00 0.00 H new ATOM 0 HG SER A 93 5.671 3.095 12.392 1.00 0.00 H new ATOM 1320 N LEU A 94 4.752 3.269 8.086 1.00 0.00 N ATOM 1321 CA LEU A 94 3.829 2.409 7.366 1.00 0.00 C ATOM 1322 C LEU A 94 4.598 1.225 6.775 1.00 0.00 C ATOM 1323 O LEU A 94 5.804 1.097 6.983 1.00 0.00 O ATOM 1324 CB LEU A 94 3.046 3.214 6.327 1.00 0.00 C ATOM 1325 CG LEU A 94 1.734 3.835 6.811 1.00 0.00 C ATOM 1326 CD1 LEU A 94 0.707 2.753 7.149 1.00 0.00 C ATOM 1327 CD2 LEU A 94 1.977 4.783 7.987 1.00 0.00 C ATOM 0 H LEU A 94 5.396 3.793 7.494 1.00 0.00 H new ATOM 0 HA LEU A 94 3.082 1.998 8.045 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.688 4.013 5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.827 2.562 5.481 1.00 0.00 H new ATOM 0 HG LEU A 94 1.318 4.431 5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.216 3.221 7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.503 2.155 6.261 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.101 2.111 7.937 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.028 5.211 8.312 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.427 4.231 8.812 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.649 5.583 7.676 1.00 0.00 H new ATOM 1339 N SER A 95 3.869 0.390 6.049 1.00 0.00 N ATOM 1340 CA SER A 95 4.467 -0.778 5.426 1.00 0.00 C ATOM 1341 C SER A 95 4.890 -1.784 6.499 1.00 0.00 C ATOM 1342 O SER A 95 5.934 -2.424 6.378 1.00 0.00 O ATOM 1343 CB SER A 95 5.668 -0.388 4.562 1.00 0.00 C ATOM 1344 OG SER A 95 6.882 -0.382 5.306 1.00 0.00 O ATOM 0 H SER A 95 2.869 0.499 5.878 1.00 0.00 H new ATOM 0 HA SER A 95 3.722 -1.239 4.778 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.757 -1.085 3.729 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.501 0.600 4.134 1.00 0.00 H new ATOM 0 HG SER A 95 6.846 0.323 5.986 1.00 0.00 H new ATOM 1350 N LEU A 96 4.059 -1.892 7.525 1.00 0.00 N ATOM 1351 CA LEU A 96 4.333 -2.809 8.618 1.00 0.00 C ATOM 1352 C LEU A 96 3.229 -3.866 8.681 1.00 0.00 C ATOM 1353 O LEU A 96 2.515 -4.082 7.703 1.00 0.00 O ATOM 1354 CB LEU A 96 4.525 -2.040 9.927 1.00 0.00 C ATOM 1355 CG LEU A 96 5.089 -0.624 9.796 1.00 0.00 C ATOM 1356 CD1 LEU A 96 4.764 0.212 11.036 1.00 0.00 C ATOM 1357 CD2 LEU A 96 6.591 -0.657 9.505 1.00 0.00 C ATOM 0 H LEU A 96 3.195 -1.359 7.622 1.00 0.00 H new ATOM 0 HA LEU A 96 5.270 -3.338 8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.562 -1.981 10.435 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.190 -2.617 10.570 1.00 0.00 H new ATOM 0 HG LEU A 96 4.607 -0.141 8.946 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.176 1.214 10.917 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.683 0.276 11.158 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.201 -0.258 11.917 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.967 0.362 9.417 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.108 -1.165 10.319 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.769 -1.192 8.572 1.00 0.00 H new ATOM 1369 N ALA A 97 3.123 -4.496 9.842 1.00 0.00 N ATOM 1370 CA ALA A 97 2.118 -5.525 10.045 1.00 0.00 C ATOM 1371 C ALA A 97 0.994 -4.968 10.922 1.00 0.00 C ATOM 1372 O ALA A 97 0.706 -5.510 11.987 1.00 0.00 O ATOM 1373 CB ALA A 97 2.773 -6.766 10.656 1.00 0.00 C ATOM 0 H ALA A 97 3.716 -4.314 10.651 1.00 0.00 H new ATOM 0 HA ALA A 97 1.678 -5.824 9.094 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.019 -7.538 10.808 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.544 -7.140 9.982 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.224 -6.505 11.614 1.00 0.00 H new ATOM 1379 N VAL A 98 0.390 -3.892 10.440 1.00 0.00 N ATOM 1380 CA VAL A 98 -0.696 -3.255 11.166 1.00 0.00 C ATOM 1381 C VAL A 98 -1.940 -4.143 11.097 1.00 0.00 C ATOM 1382 O VAL A 98 -2.077 -4.956 10.184 1.00 0.00 O ATOM 1383 CB VAL A 98 -0.936 -1.847 10.619 1.00 0.00 C ATOM 1384 CG1 VAL A 98 0.376 -1.065 10.522 1.00 0.00 C ATOM 1385 CG2 VAL A 98 -1.645 -1.898 9.264 1.00 0.00 C ATOM 0 H VAL A 98 0.632 -3.445 9.556 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.436 -3.141 12.218 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.588 -1.323 11.318 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.177 -0.067 10.130 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.825 -0.983 11.512 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.062 -1.587 9.855 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.803 -0.884 8.898 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.030 -2.449 8.552 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.607 -2.398 9.375 1.00 0.00 H new ATOM 1395 N PRO A 99 -2.838 -3.953 12.100 1.00 0.00 N ATOM 1396 CA PRO A 99 -4.066 -4.728 12.162 1.00 0.00 C ATOM 1397 C PRO A 99 -5.075 -4.240 11.120 1.00 0.00 C ATOM 1398 O PRO A 99 -4.840 -3.240 10.444 1.00 0.00 O ATOM 1399 CB PRO A 99 -4.562 -4.566 13.590 1.00 0.00 C ATOM 1400 CG PRO A 99 -3.852 -3.340 14.141 1.00 0.00 C ATOM 1401 CD PRO A 99 -2.709 -3.000 13.198 1.00 0.00 C ATOM 0 HA PRO A 99 -3.912 -5.781 11.925 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -5.644 -4.435 13.615 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -4.334 -5.450 14.185 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.544 -2.502 14.220 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -3.474 -3.537 15.144 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -2.782 -1.973 12.841 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -1.744 -3.097 13.695 1.00 0.00 H new ATOM 1409 N PRO A 100 -6.205 -4.990 11.020 1.00 0.00 N ATOM 1410 CA PRO A 100 -7.250 -4.644 10.071 1.00 0.00 C ATOM 1411 C PRO A 100 -8.053 -3.436 10.557 1.00 0.00 C ATOM 1412 O PRO A 100 -8.237 -3.250 11.758 1.00 0.00 O ATOM 1413 CB PRO A 100 -8.093 -5.903 9.939 1.00 0.00 C ATOM 1414 CG PRO A 100 -7.770 -6.751 11.158 1.00 0.00 C ATOM 1415 CD PRO A 100 -6.517 -6.181 11.803 1.00 0.00 C ATOM 0 HA PRO A 100 -6.855 -4.341 9.101 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -9.155 -5.660 9.903 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -7.857 -6.437 9.018 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.601 -6.739 11.863 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -7.612 -7.790 10.869 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -6.689 -5.932 12.850 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -5.697 -6.898 11.776 1.00 0.00 H new ATOM 1423 N PRO A 101 -8.522 -2.624 9.571 1.00 0.00 N ATOM 1424 CA PRO A 101 -9.301 -1.438 9.885 1.00 0.00 C ATOM 1425 C PRO A 101 -10.725 -1.813 10.303 1.00 0.00 C ATOM 1426 O PRO A 101 -10.996 -2.966 10.634 1.00 0.00 O ATOM 1427 CB PRO A 101 -9.255 -0.592 8.624 1.00 0.00 C ATOM 1428 CG PRO A 101 -8.849 -1.535 7.503 1.00 0.00 C ATOM 1429 CD PRO A 101 -8.324 -2.813 8.137 1.00 0.00 C ATOM 0 HA PRO A 101 -8.901 -0.884 10.734 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.226 -0.140 8.421 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.539 0.223 8.727 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.701 -1.751 6.858 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.083 -1.077 6.877 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.866 -3.686 7.774 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.272 -2.969 7.900 1.00 0.00 H new ATOM 1437 N ARG A 102 -11.597 -0.816 10.272 1.00 0.00 N ATOM 1438 CA ARG A 102 -12.986 -1.026 10.643 1.00 0.00 C ATOM 1439 C ARG A 102 -13.853 -1.179 9.391 1.00 0.00 C ATOM 1440 O ARG A 102 -14.856 -1.890 9.410 1.00 0.00 O ATOM 1441 CB ARG A 102 -13.515 0.140 11.481 1.00 0.00 C ATOM 1442 CG ARG A 102 -14.417 -0.361 12.611 1.00 0.00 C ATOM 1443 CD ARG A 102 -13.945 0.171 13.966 1.00 0.00 C ATOM 1444 NE ARG A 102 -14.902 -0.220 15.024 1.00 0.00 N ATOM 1445 CZ ARG A 102 -14.841 0.220 16.299 1.00 0.00 C ATOM 1446 NH1 ARG A 102 -13.867 1.071 16.685 1.00 0.00 N ATOM 1447 NH2 ARG A 102 -15.750 -0.195 17.163 1.00 0.00 N ATOM 0 H ARG A 102 -11.369 0.139 9.996 1.00 0.00 H new ATOM 0 HA ARG A 102 -13.036 -1.938 11.238 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -12.679 0.700 11.900 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -14.072 0.827 10.844 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -15.444 -0.044 12.429 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.418 -1.451 12.624 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -12.955 -0.223 14.196 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.855 1.257 13.928 1.00 0.00 H new ATOM 0 HE ARG A 102 -15.655 -0.862 14.775 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -13.169 1.387 16.011 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -13.829 1.398 17.650 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -16.483 -0.838 16.863 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -15.719 0.127 18.130 1.00 0.00 H new ATOM 1460 N PHE A 103 -13.433 -0.501 8.333 1.00 0.00 N ATOM 1461 CA PHE A 103 -14.158 -0.553 7.075 1.00 0.00 C ATOM 1462 C PHE A 103 -14.674 -1.966 6.798 1.00 0.00 C ATOM 1463 O PHE A 103 -14.190 -2.934 7.384 1.00 0.00 O ATOM 1464 CB PHE A 103 -13.172 -0.157 5.974 1.00 0.00 C ATOM 1465 CG PHE A 103 -12.335 1.081 6.303 1.00 0.00 C ATOM 1466 CD1 PHE A 103 -12.937 2.294 6.431 1.00 0.00 C ATOM 1467 CD2 PHE A 103 -10.990 0.968 6.469 1.00 0.00 C ATOM 1468 CE1 PHE A 103 -12.160 3.443 6.736 1.00 0.00 C ATOM 1469 CE2 PHE A 103 -10.213 2.117 6.774 1.00 0.00 C ATOM 1470 CZ PHE A 103 -10.815 3.330 6.902 1.00 0.00 C ATOM 0 H PHE A 103 -12.600 0.087 8.321 1.00 0.00 H new ATOM 0 HA PHE A 103 -15.017 0.117 7.112 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -12.502 -0.995 5.782 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -13.726 0.026 5.053 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -14.005 2.383 6.301 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -10.513 0.004 6.369 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -12.637 4.407 6.836 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -9.145 2.028 6.904 1.00 0.00 H new ATOM 0 HZ PHE A 103 -10.225 4.204 7.136 1.00 0.00 H new ATOM 1480 N HIS A 104 -15.649 -2.041 5.904 1.00 0.00 N ATOM 1481 CA HIS A 104 -16.236 -3.320 5.542 1.00 0.00 C ATOM 1482 C HIS A 104 -15.190 -4.181 4.830 1.00 0.00 C ATOM 1483 O HIS A 104 -14.081 -3.722 4.562 1.00 0.00 O ATOM 1484 CB HIS A 104 -17.504 -3.120 4.711 1.00 0.00 C ATOM 1485 CG HIS A 104 -18.571 -4.160 4.957 1.00 0.00 C ATOM 1486 ND1 HIS A 104 -18.715 -5.287 4.167 1.00 0.00 N ATOM 1487 CD2 HIS A 104 -19.541 -4.233 5.913 1.00 0.00 C ATOM 1488 CE1 HIS A 104 -19.730 -5.999 4.635 1.00 0.00 C ATOM 1489 NE2 HIS A 104 -20.241 -5.343 5.716 1.00 0.00 N ATOM 0 H HIS A 104 -16.047 -1.237 5.420 1.00 0.00 H new ATOM 0 HA HIS A 104 -16.542 -3.852 6.443 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -17.916 -2.134 4.927 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -17.238 -3.130 3.654 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -19.711 -3.510 6.697 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -20.089 -6.934 4.231 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -21.031 -5.654 6.280 1.00 0.00 H new ATOM 1497 N ASP A 105 -15.581 -5.414 4.544 1.00 0.00 N ATOM 1498 CA ASP A 105 -14.692 -6.344 3.869 1.00 0.00 C ATOM 1499 C ASP A 105 -15.474 -7.600 3.481 1.00 0.00 C ATOM 1500 O ASP A 105 -16.034 -8.277 4.342 1.00 0.00 O ATOM 1501 CB ASP A 105 -13.540 -6.766 4.782 1.00 0.00 C ATOM 1502 CG ASP A 105 -12.141 -6.545 4.204 1.00 0.00 C ATOM 1503 OD1 ASP A 105 -11.481 -5.537 4.498 1.00 0.00 O ATOM 1504 OD2 ASP A 105 -11.726 -7.472 3.409 1.00 0.00 O ATOM 0 H ASP A 105 -16.502 -5.791 4.768 1.00 0.00 H new ATOM 0 HA ASP A 105 -14.289 -5.845 2.988 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -13.620 -6.216 5.720 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -13.655 -7.823 5.021 1.00 0.00 H new TER 1510 ASP A 105